USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 960 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 1 MET CE :methyl 177:sc= -1.61 (180deg=-1.63) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.0114 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -69:sc= -6.33! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 142:sc= -3.04! USER MOD Single : A 35 ASN : amide:sc= -1.81 K(o=-1.8,f=-9.7!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.427 F(o=-2.6!,f=-0.43) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -1.34 (180deg=-1.41) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -88:sc= -4.26! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 151:sc= -0.139 (180deg=-0.971) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0129) USER MOD Single : A 68 GLN :FLIP amide:sc= -5.02! C(o=-9.3!,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.0648 (180deg=-0.32) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.538 F(o=-1.9,f=-0.54) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.75! C(o=-13!,f=-9.7!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 160:sc= -10.5! (180deg=-12.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 84 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.63) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -29:sc= 1.06 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.58! C(o=-2.7!,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.8) USER MOD Single : A 101 TYR OH : rot 177:sc= -0.773 USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= 0.963 (180deg=-1.55!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc=-0.00583 X(o=-0.0058,f=-0.12) USER MOD Single : A 122 TYR OH : rot -113:sc= 1.26 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.949 -17.940 -1.982 1.00 0.00 N ATOM 2 CA MET A 1 7.872 -16.776 -2.053 1.00 0.00 C ATOM 3 C MET A 1 7.874 -16.160 -3.447 1.00 0.00 C ATOM 4 O MET A 1 7.195 -16.642 -4.353 1.00 0.00 O ATOM 5 CB MET A 1 9.281 -17.246 -1.681 1.00 0.00 C ATOM 6 CG MET A 1 9.969 -16.356 -0.660 1.00 0.00 C ATOM 7 SD MET A 1 9.768 -16.954 1.029 1.00 0.00 S ATOM 8 CE MET A 1 8.799 -15.629 1.744 1.00 0.00 C ATOM 0 H1 MET A 1 6.557 -18.014 -1.022 1.00 0.00 H new ATOM 0 H2 MET A 1 6.174 -17.811 -2.663 1.00 0.00 H new ATOM 0 H3 MET A 1 7.470 -18.810 -2.211 1.00 0.00 H new ATOM 0 HA MET A 1 7.535 -16.009 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.224 -18.261 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.891 -17.288 -2.583 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.031 -16.294 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.566 -15.346 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.547 -15.878 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.376 -14.705 1.724 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.883 -15.497 1.169 1.00 0.00 H new ATOM 20 N GLN A 2 8.645 -15.090 -3.613 1.00 0.00 N ATOM 21 CA GLN A 2 8.739 -14.408 -4.895 1.00 0.00 C ATOM 22 C GLN A 2 9.971 -13.509 -4.941 1.00 0.00 C ATOM 23 O GLN A 2 10.664 -13.335 -3.939 1.00 0.00 O ATOM 24 CB GLN A 2 7.475 -13.582 -5.152 1.00 0.00 C ATOM 25 CG GLN A 2 6.487 -14.257 -6.090 1.00 0.00 C ATOM 26 CD GLN A 2 5.056 -14.162 -5.598 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.479 -13.077 -5.533 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.474 -15.303 -5.247 1.00 0.00 N ATOM 0 H GLN A 2 9.214 -14.678 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 2 8.833 -15.162 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.982 -13.383 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.761 -12.617 -5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.559 -13.800 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.759 -15.306 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.989 -16.181 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.512 -15.302 -4.908 1.00 0.00 H new ATOM 37 N ARG A 3 10.232 -12.935 -6.111 1.00 0.00 N ATOM 38 CA ARG A 3 11.375 -12.045 -6.295 1.00 0.00 C ATOM 39 C ARG A 3 11.240 -10.781 -5.447 1.00 0.00 C ATOM 40 O ARG A 3 12.178 -9.990 -5.348 1.00 0.00 O ATOM 41 CB ARG A 3 11.505 -11.652 -7.769 1.00 0.00 C ATOM 42 CG ARG A 3 10.182 -11.256 -8.406 1.00 0.00 C ATOM 43 CD ARG A 3 10.381 -10.284 -9.559 1.00 0.00 C ATOM 44 NE ARG A 3 10.397 -10.970 -10.850 1.00 0.00 N ATOM 45 CZ ARG A 3 9.810 -10.507 -11.952 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.165 -9.346 -11.939 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.870 -11.209 -13.075 1.00 0.00 N ATOM 0 H ARG A 3 9.666 -13.070 -6.949 1.00 0.00 H new ATOM 0 HA ARG A 3 12.267 -12.583 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.205 -10.821 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.932 -12.487 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.670 -12.148 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.538 -10.801 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.582 -9.542 -9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.318 -9.745 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 3 10.890 -11.861 -10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.116 -8.800 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.719 -9.001 -12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.365 -12.101 -13.093 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.421 -10.857 -13.921 1.00 0.00 H new ATOM 61 N GLY A 4 10.067 -10.587 -4.852 1.00 0.00 N ATOM 62 CA GLY A 4 9.838 -9.410 -4.045 1.00 0.00 C ATOM 63 C GLY A 4 9.278 -8.278 -4.874 1.00 0.00 C ATOM 64 O GLY A 4 10.014 -7.596 -5.587 1.00 0.00 O ATOM 0 H GLY A 4 9.274 -11.225 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.146 -9.649 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.773 -9.096 -3.581 1.00 0.00 H new ATOM 68 N ILE A 5 7.969 -8.087 -4.799 1.00 0.00 N ATOM 69 CA ILE A 5 7.316 -7.039 -5.565 1.00 0.00 C ATOM 70 C ILE A 5 6.526 -6.109 -4.655 1.00 0.00 C ATOM 71 O ILE A 5 5.535 -6.504 -4.033 1.00 0.00 O ATOM 72 CB ILE A 5 6.384 -7.627 -6.641 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.093 -8.759 -7.393 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.938 -6.539 -7.608 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.586 -10.138 -7.031 1.00 0.00 C ATOM 0 H ILE A 5 7.341 -8.642 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 5 8.100 -6.467 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 5 5.499 -8.036 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.969 -8.605 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.162 -8.708 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.280 -6.970 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.403 -5.763 -7.061 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.811 -6.104 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.133 -10.888 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.735 -10.312 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.524 -10.208 -7.265 1.00 0.00 H new ATOM 87 N VAL A 6 6.987 -4.869 -4.581 1.00 0.00 N ATOM 88 CA VAL A 6 6.348 -3.861 -3.753 1.00 0.00 C ATOM 89 C VAL A 6 5.607 -2.849 -4.620 1.00 0.00 C ATOM 90 O VAL A 6 6.208 -2.182 -5.458 1.00 0.00 O ATOM 91 CB VAL A 6 7.387 -3.127 -2.876 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.320 -2.285 -3.726 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.698 -2.267 -1.830 1.00 0.00 C ATOM 0 H VAL A 6 7.807 -4.537 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 6 5.635 -4.368 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 6 7.984 -3.881 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.041 -1.780 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.849 -2.927 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.741 -1.543 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.449 -1.760 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.070 -1.526 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.081 -2.897 -1.190 1.00 0.00 H new ATOM 103 N TRP A 7 4.303 -2.731 -4.421 1.00 0.00 N ATOM 104 CA TRP A 7 3.518 -1.784 -5.198 1.00 0.00 C ATOM 105 C TRP A 7 3.012 -0.664 -4.305 1.00 0.00 C ATOM 106 O TRP A 7 2.777 -0.859 -3.115 1.00 0.00 O ATOM 107 CB TRP A 7 2.384 -2.497 -5.936 1.00 0.00 C ATOM 108 CG TRP A 7 2.872 -3.177 -7.186 1.00 0.00 C ATOM 109 CD1 TRP A 7 4.169 -3.253 -7.611 1.00 0.00 C ATOM 110 CD2 TRP A 7 2.091 -3.867 -8.171 1.00 0.00 C ATOM 111 NE1 TRP A 7 4.241 -3.925 -8.801 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.982 -4.319 -9.165 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.728 -4.144 -8.314 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.555 -5.030 -10.283 1.00 0.00 C ATOM 115 CZ3 TRP A 7 0.307 -4.853 -9.425 1.00 0.00 C ATOM 116 CH2 TRP A 7 1.218 -5.288 -10.396 1.00 0.00 C ATOM 0 H TRP A 7 3.772 -3.271 -3.738 1.00 0.00 H new ATOM 0 HA TRP A 7 4.155 -1.332 -5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.928 -3.234 -5.276 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.608 -1.776 -6.194 1.00 0.00 H new ATOM 0 HD1 TRP A 7 5.016 -2.841 -7.083 1.00 0.00 H new ATOM 0 HE1 TRP A 7 5.094 -4.103 -9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 7 0.018 -3.811 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 3.255 -5.366 -11.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.743 -5.075 -9.546 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.856 -5.839 -11.252 1.00 0.00 H new ATOM 127 N VAL A 8 2.927 0.529 -4.864 1.00 0.00 N ATOM 128 CA VAL A 8 2.538 1.695 -4.098 1.00 0.00 C ATOM 129 C VAL A 8 1.558 2.593 -4.839 1.00 0.00 C ATOM 130 O VAL A 8 1.602 2.697 -6.053 1.00 0.00 O ATOM 131 CB VAL A 8 3.801 2.503 -3.757 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.963 2.097 -4.660 1.00 0.00 C ATOM 133 CG2 VAL A 8 3.519 3.999 -3.779 1.00 0.00 C ATOM 0 H VAL A 8 3.123 0.715 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 8 2.033 1.343 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 8 4.104 2.267 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.846 2.681 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.176 1.037 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.697 2.283 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.430 4.545 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.177 4.290 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.747 4.235 -3.046 1.00 0.00 H new ATOM 143 N VAL A 9 0.699 3.275 -4.092 1.00 0.00 N ATOM 144 CA VAL A 9 -0.252 4.201 -4.692 1.00 0.00 C ATOM 145 C VAL A 9 -0.268 5.528 -3.935 1.00 0.00 C ATOM 146 O VAL A 9 -0.829 5.618 -2.845 1.00 0.00 O ATOM 147 CB VAL A 9 -1.691 3.646 -4.741 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.436 4.253 -5.916 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.714 2.131 -4.835 1.00 0.00 C ATOM 0 H VAL A 9 0.641 3.205 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 9 0.088 4.349 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.185 3.922 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.451 3.858 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.471 5.337 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.921 4.001 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.747 1.784 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.197 1.815 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.215 1.705 -3.965 1.00 0.00 H new ATOM 159 N ASP A 10 0.342 6.553 -4.538 1.00 0.00 N ATOM 160 CA ASP A 10 0.405 7.899 -3.954 1.00 0.00 C ATOM 161 C ASP A 10 1.423 8.761 -4.695 1.00 0.00 C ATOM 162 O ASP A 10 2.597 8.411 -4.790 1.00 0.00 O ATOM 163 CB ASP A 10 0.761 7.864 -2.463 1.00 0.00 C ATOM 164 CG ASP A 10 0.500 9.199 -1.775 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.097 10.088 -2.419 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.892 9.360 -0.595 1.00 0.00 O ATOM 0 H ASP A 10 0.806 6.475 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.589 8.334 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.180 7.084 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.812 7.598 -2.349 1.00 0.00 H new ATOM 171 N ASP A 11 0.960 9.893 -5.213 1.00 0.00 N ATOM 172 CA ASP A 11 1.808 10.831 -5.946 1.00 0.00 C ATOM 173 C ASP A 11 2.198 10.289 -7.322 1.00 0.00 C ATOM 174 O ASP A 11 2.211 11.032 -8.303 1.00 0.00 O ATOM 175 CB ASP A 11 3.055 11.169 -5.130 1.00 0.00 C ATOM 176 CG ASP A 11 3.141 12.644 -4.790 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.616 13.040 -3.728 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.730 13.404 -5.587 1.00 0.00 O ATOM 0 H ASP A 11 -0.013 10.188 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 11 1.231 11.742 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.052 10.586 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.943 10.876 -5.690 1.00 0.00 H new ATOM 183 N ASP A 12 2.515 8.997 -7.392 1.00 0.00 N ATOM 184 CA ASP A 12 2.902 8.367 -8.650 1.00 0.00 C ATOM 185 C ASP A 12 4.335 8.764 -9.039 1.00 0.00 C ATOM 186 O ASP A 12 5.268 8.519 -8.276 1.00 0.00 O ATOM 187 CB ASP A 12 1.892 8.719 -9.753 1.00 0.00 C ATOM 188 CG ASP A 12 2.033 7.834 -10.978 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.138 7.298 -11.199 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.037 7.681 -11.717 1.00 0.00 O ATOM 0 H ASP A 12 2.511 8.367 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 12 2.891 7.285 -8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.881 8.627 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.026 9.761 -10.045 1.00 0.00 H new ATOM 195 N SER A 13 4.507 9.366 -10.222 1.00 0.00 N ATOM 196 CA SER A 13 5.824 9.784 -10.715 1.00 0.00 C ATOM 197 C SER A 13 6.776 10.182 -9.591 1.00 0.00 C ATOM 198 O SER A 13 7.931 9.760 -9.561 1.00 0.00 O ATOM 199 CB SER A 13 5.666 10.946 -11.697 1.00 0.00 C ATOM 200 OG SER A 13 6.869 11.181 -12.408 1.00 0.00 O ATOM 0 H SER A 13 3.741 9.576 -10.862 1.00 0.00 H new ATOM 0 HA SER A 13 6.265 8.924 -11.219 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.862 10.726 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.378 11.847 -11.155 1.00 0.00 H new ATOM 0 HG SER A 13 6.741 11.927 -13.030 1.00 0.00 H new ATOM 206 N SER A 14 6.285 10.999 -8.680 1.00 0.00 N ATOM 207 CA SER A 14 7.090 11.467 -7.554 1.00 0.00 C ATOM 208 C SER A 14 7.500 10.312 -6.647 1.00 0.00 C ATOM 209 O SER A 14 8.687 10.021 -6.492 1.00 0.00 O ATOM 210 CB SER A 14 6.313 12.506 -6.743 1.00 0.00 C ATOM 211 OG SER A 14 7.070 12.961 -5.635 1.00 0.00 O ATOM 0 H SER A 14 5.330 11.357 -8.692 1.00 0.00 H new ATOM 0 HA SER A 14 7.993 11.923 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.054 13.351 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.376 12.072 -6.393 1.00 0.00 H new ATOM 0 HG SER A 14 6.551 13.625 -5.135 1.00 0.00 H new ATOM 217 N ILE A 15 6.511 9.666 -6.043 1.00 0.00 N ATOM 218 CA ILE A 15 6.761 8.553 -5.137 1.00 0.00 C ATOM 219 C ILE A 15 7.421 7.379 -5.863 1.00 0.00 C ATOM 220 O ILE A 15 8.117 6.569 -5.249 1.00 0.00 O ATOM 221 CB ILE A 15 5.442 8.111 -4.445 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.981 9.197 -3.467 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.597 6.777 -3.717 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.846 9.316 -2.229 1.00 0.00 C ATOM 0 H ILE A 15 5.525 9.895 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 15 7.456 8.892 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 15 4.689 7.972 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.970 10.157 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.956 8.987 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.651 6.506 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.882 6.004 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.368 6.867 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.455 10.105 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.838 8.370 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.868 9.558 -2.521 1.00 0.00 H new ATOM 236 N ARG A 16 7.205 7.293 -7.170 1.00 0.00 N ATOM 237 CA ARG A 16 7.783 6.216 -7.974 1.00 0.00 C ATOM 238 C ARG A 16 9.308 6.252 -7.941 1.00 0.00 C ATOM 239 O ARG A 16 9.957 5.277 -7.566 1.00 0.00 O ATOM 240 CB ARG A 16 7.310 6.318 -9.428 1.00 0.00 C ATOM 241 CG ARG A 16 7.525 5.041 -10.228 1.00 0.00 C ATOM 242 CD ARG A 16 6.624 4.990 -11.453 1.00 0.00 C ATOM 243 NE ARG A 16 7.195 4.167 -12.521 1.00 0.00 N ATOM 244 CZ ARG A 16 7.225 4.524 -13.805 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.722 5.688 -14.199 1.00 0.00 N ATOM 246 NH2 ARG A 16 7.764 3.709 -14.704 1.00 0.00 N ATOM 0 H ARG A 16 6.635 7.954 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 16 7.446 5.273 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.250 6.570 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.838 7.137 -9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.568 4.977 -10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.328 4.176 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.650 4.591 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.459 6.002 -11.824 1.00 0.00 H new ATOM 0 HE ARG A 16 7.595 3.264 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.306 6.321 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.751 5.949 -15.185 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.153 2.813 -14.411 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.789 3.979 -15.687 1.00 0.00 H new ATOM 260 N TRP A 17 9.867 7.378 -8.361 1.00 0.00 N ATOM 261 CA TRP A 17 11.314 7.555 -8.413 1.00 0.00 C ATOM 262 C TRP A 17 11.984 7.325 -7.059 1.00 0.00 C ATOM 263 O TRP A 17 13.013 6.652 -6.975 1.00 0.00 O ATOM 264 CB TRP A 17 11.647 8.958 -8.917 1.00 0.00 C ATOM 265 CG TRP A 17 13.115 9.185 -9.085 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.920 8.666 -10.057 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.954 9.986 -8.249 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.212 9.096 -9.876 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.259 9.909 -8.773 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.728 10.762 -7.109 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.333 10.578 -8.193 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.796 11.426 -6.535 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.085 11.330 -7.078 1.00 0.00 C ATOM 0 H TRP A 17 9.336 8.191 -8.674 1.00 0.00 H new ATOM 0 HA TRP A 17 11.704 6.804 -9.100 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.148 9.123 -9.872 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.249 9.693 -8.218 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.590 8.013 -10.852 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.007 8.850 -10.466 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.738 10.841 -6.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.327 10.506 -8.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.635 12.029 -5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.899 11.861 -6.606 1.00 0.00 H new ATOM 284 N VAL A 18 11.422 7.905 -6.008 1.00 0.00 N ATOM 285 CA VAL A 18 12.004 7.771 -4.677 1.00 0.00 C ATOM 286 C VAL A 18 11.958 6.338 -4.169 1.00 0.00 C ATOM 287 O VAL A 18 12.924 5.844 -3.588 1.00 0.00 O ATOM 288 CB VAL A 18 11.312 8.681 -3.637 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.257 8.981 -2.485 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.824 9.974 -4.269 1.00 0.00 C ATOM 0 H VAL A 18 10.572 8.468 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 18 13.043 8.081 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 18 10.443 8.147 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.755 9.623 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.550 8.049 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.145 9.487 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.342 10.591 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.671 10.514 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.108 9.746 -5.059 1.00 0.00 H new ATOM 300 N LEU A 19 10.822 5.688 -4.353 1.00 0.00 N ATOM 301 CA LEU A 19 10.637 4.323 -3.871 1.00 0.00 C ATOM 302 C LEU A 19 11.197 3.270 -4.823 1.00 0.00 C ATOM 303 O LEU A 19 11.509 2.159 -4.401 1.00 0.00 O ATOM 304 CB LEU A 19 9.155 4.046 -3.600 1.00 0.00 C ATOM 305 CG LEU A 19 8.874 3.209 -2.350 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.347 3.936 -1.104 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.390 2.884 -2.246 1.00 0.00 C ATOM 0 H LEU A 19 10.012 6.080 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 19 11.203 4.246 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.634 4.999 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.732 3.535 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 19 9.426 2.273 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.139 3.325 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.419 4.118 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.823 4.888 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.210 2.288 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.818 3.810 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.078 2.321 -3.126 1.00 0.00 H new ATOM 319 N GLU A 20 11.317 3.601 -6.101 1.00 0.00 N ATOM 320 CA GLU A 20 11.831 2.639 -7.070 1.00 0.00 C ATOM 321 C GLU A 20 13.295 2.311 -6.816 1.00 0.00 C ATOM 322 O GLU A 20 13.664 1.148 -6.654 1.00 0.00 O ATOM 323 CB GLU A 20 11.637 3.133 -8.506 1.00 0.00 C ATOM 324 CG GLU A 20 12.462 4.347 -8.894 1.00 0.00 C ATOM 325 CD GLU A 20 12.204 4.785 -10.324 1.00 0.00 C ATOM 326 OE1 GLU A 20 11.137 4.432 -10.869 1.00 0.00 O ATOM 327 OE2 GLU A 20 13.069 5.479 -10.897 1.00 0.00 O ATOM 0 H GLU A 20 11.071 4.512 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 20 11.254 1.723 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.878 2.318 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.583 3.369 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.233 5.170 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.521 4.118 -8.772 1.00 0.00 H new ATOM 334 N ARG A 21 14.123 3.337 -6.796 1.00 0.00 N ATOM 335 CA ARG A 21 15.555 3.161 -6.582 1.00 0.00 C ATOM 336 C ARG A 21 15.867 2.628 -5.183 1.00 0.00 C ATOM 337 O ARG A 21 16.529 1.599 -5.041 1.00 0.00 O ATOM 338 CB ARG A 21 16.289 4.481 -6.815 1.00 0.00 C ATOM 339 CG ARG A 21 16.197 4.982 -8.249 1.00 0.00 C ATOM 340 CD ARG A 21 17.518 4.823 -8.983 1.00 0.00 C ATOM 341 NE ARG A 21 18.437 5.922 -8.694 1.00 0.00 N ATOM 342 CZ ARG A 21 19.747 5.771 -8.503 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.311 4.571 -8.590 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.501 6.827 -8.232 1.00 0.00 N ATOM 0 H ARG A 21 13.832 4.306 -6.925 1.00 0.00 H new ATOM 0 HA ARG A 21 15.902 2.419 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.879 5.238 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.339 4.356 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.418 4.433 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.904 6.032 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.981 3.878 -8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.334 4.776 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 21 18.051 6.864 -8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.740 3.754 -8.805 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.315 4.467 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.078 7.753 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.504 6.713 -8.085 1.00 0.00 H new ATOM 358 N ALA A 22 15.411 3.335 -4.155 1.00 0.00 N ATOM 359 CA ALA A 22 15.669 2.927 -2.775 1.00 0.00 C ATOM 360 C ALA A 22 15.219 1.500 -2.508 1.00 0.00 C ATOM 361 O ALA A 22 15.943 0.712 -1.902 1.00 0.00 O ATOM 362 CB ALA A 22 15.003 3.887 -1.800 1.00 0.00 C ATOM 0 H ALA A 22 14.863 4.190 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 22 16.748 2.961 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.206 3.567 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.398 4.891 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.927 3.891 -1.972 1.00 0.00 H new ATOM 368 N LEU A 23 14.025 1.172 -2.963 1.00 0.00 N ATOM 369 CA LEU A 23 13.487 -0.168 -2.770 1.00 0.00 C ATOM 370 C LEU A 23 14.257 -1.178 -3.608 1.00 0.00 C ATOM 371 O LEU A 23 14.350 -2.358 -3.257 1.00 0.00 O ATOM 372 CB LEU A 23 11.999 -0.204 -3.118 1.00 0.00 C ATOM 373 CG LEU A 23 11.199 -1.360 -2.509 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.252 -2.583 -3.408 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.697 -1.703 -1.113 1.00 0.00 C ATOM 0 H LEU A 23 13.409 1.809 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 23 13.600 -0.436 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.547 0.734 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.900 -0.250 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 23 10.162 -1.036 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.677 -3.392 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.829 -2.337 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.288 -2.899 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.109 -2.527 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.746 -1.996 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.594 -0.832 -0.466 1.00 0.00 H new ATOM 387 N ALA A 24 14.833 -0.706 -4.705 1.00 0.00 N ATOM 388 CA ALA A 24 15.619 -1.568 -5.564 1.00 0.00 C ATOM 389 C ALA A 24 16.864 -2.020 -4.816 1.00 0.00 C ATOM 390 O ALA A 24 17.343 -3.138 -5.003 1.00 0.00 O ATOM 391 CB ALA A 24 15.989 -0.854 -6.856 1.00 0.00 C ATOM 0 H ALA A 24 14.769 0.263 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 24 15.027 -2.443 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.579 -1.521 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.081 -0.566 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.573 0.037 -6.625 1.00 0.00 H new ATOM 397 N GLY A 25 17.366 -1.147 -3.943 1.00 0.00 N ATOM 398 CA GLY A 25 18.531 -1.488 -3.155 1.00 0.00 C ATOM 399 C GLY A 25 18.256 -2.675 -2.256 1.00 0.00 C ATOM 400 O GLY A 25 19.160 -3.447 -1.934 1.00 0.00 O ATOM 0 H GLY A 25 16.986 -0.216 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.367 -1.716 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.827 -0.631 -2.550 1.00 0.00 H new ATOM 404 N ALA A 26 16.993 -2.824 -1.862 1.00 0.00 N ATOM 405 CA ALA A 26 16.582 -3.924 -1.007 1.00 0.00 C ATOM 406 C ALA A 26 16.476 -5.225 -1.802 1.00 0.00 C ATOM 407 O ALA A 26 16.438 -6.312 -1.228 1.00 0.00 O ATOM 408 CB ALA A 26 15.255 -3.600 -0.336 1.00 0.00 C ATOM 0 H ALA A 26 16.237 -2.191 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 26 17.341 -4.061 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.957 -4.432 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.363 -2.700 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.493 -3.436 -1.098 1.00 0.00 H new ATOM 414 N GLY A 27 16.450 -5.106 -3.130 1.00 0.00 N ATOM 415 CA GLY A 27 16.374 -6.279 -3.976 1.00 0.00 C ATOM 416 C GLY A 27 14.964 -6.620 -4.429 1.00 0.00 C ATOM 417 O GLY A 27 14.678 -7.780 -4.723 1.00 0.00 O ATOM 0 H GLY A 27 16.480 -4.218 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.000 -6.123 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.788 -7.131 -3.437 1.00 0.00 H new ATOM 421 N LEU A 28 14.076 -5.627 -4.496 1.00 0.00 N ATOM 422 CA LEU A 28 12.711 -5.886 -4.930 1.00 0.00 C ATOM 423 C LEU A 28 12.235 -4.860 -5.954 1.00 0.00 C ATOM 424 O LEU A 28 12.910 -3.864 -6.216 1.00 0.00 O ATOM 425 CB LEU A 28 11.754 -5.938 -3.736 1.00 0.00 C ATOM 426 CG LEU A 28 12.409 -6.169 -2.373 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.754 -4.847 -1.707 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.500 -7.003 -1.485 1.00 0.00 C ATOM 0 H LEU A 28 14.276 -4.655 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 28 12.710 -6.862 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.198 -5.001 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.028 -6.732 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 28 13.338 -6.718 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.218 -5.037 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.447 -4.291 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.845 -4.263 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.979 -7.159 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.554 -6.481 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.314 -7.967 -1.958 1.00 0.00 H new ATOM 440 N THR A 29 11.068 -5.124 -6.540 1.00 0.00 N ATOM 441 CA THR A 29 10.493 -4.240 -7.553 1.00 0.00 C ATOM 442 C THR A 29 9.518 -3.245 -6.929 1.00 0.00 C ATOM 443 O THR A 29 8.612 -3.630 -6.191 1.00 0.00 O ATOM 444 CB THR A 29 9.780 -5.066 -8.629 1.00 0.00 C ATOM 445 OG1 THR A 29 10.716 -5.808 -9.392 1.00 0.00 O ATOM 446 CG2 THR A 29 8.963 -4.231 -9.594 1.00 0.00 C ATOM 0 H THR A 29 10.501 -5.945 -6.330 1.00 0.00 H new ATOM 0 HA THR A 29 11.307 -3.677 -8.010 1.00 0.00 H new ATOM 0 HB THR A 29 9.102 -5.721 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.242 -6.330 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.488 -4.883 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.197 -3.684 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.616 -3.524 -10.107 1.00 0.00 H new ATOM 454 N CYS A 30 9.711 -1.965 -7.235 1.00 0.00 N ATOM 455 CA CYS A 30 8.849 -0.914 -6.704 1.00 0.00 C ATOM 456 C CYS A 30 8.208 -0.095 -7.811 1.00 0.00 C ATOM 457 O CYS A 30 8.892 0.540 -8.614 1.00 0.00 O ATOM 458 CB CYS A 30 9.641 0.015 -5.788 1.00 0.00 C ATOM 459 SG CYS A 30 8.669 0.752 -4.456 1.00 0.00 S ATOM 0 H CYS A 30 10.456 -1.631 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 30 8.058 -1.406 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.469 -0.544 -5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.077 0.813 -6.389 1.00 0.00 H new ATOM 0 HG CYS A 30 7.824 1.604 -4.956 1.00 0.00 H new ATOM 465 N THR A 31 6.886 -0.091 -7.819 1.00 0.00 N ATOM 466 CA THR A 31 6.124 0.674 -8.788 1.00 0.00 C ATOM 467 C THR A 31 5.012 1.406 -8.040 1.00 0.00 C ATOM 468 O THR A 31 4.332 0.815 -7.201 1.00 0.00 O ATOM 469 CB THR A 31 5.559 -0.237 -9.885 1.00 0.00 C ATOM 470 OG1 THR A 31 5.250 0.512 -11.046 1.00 0.00 O ATOM 471 CG2 THR A 31 4.302 -0.960 -9.479 1.00 0.00 C ATOM 0 H THR A 31 6.314 -0.615 -7.157 1.00 0.00 H new ATOM 0 HA THR A 31 6.768 1.398 -9.287 1.00 0.00 H new ATOM 0 HB THR A 31 6.342 -0.972 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.893 -0.086 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.959 -1.585 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.507 -1.585 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.529 -0.233 -9.229 1.00 0.00 H new ATOM 479 N THR A 32 4.856 2.692 -8.310 1.00 0.00 N ATOM 480 CA THR A 32 3.855 3.493 -7.616 1.00 0.00 C ATOM 481 C THR A 32 2.682 3.851 -8.512 1.00 0.00 C ATOM 482 O THR A 32 2.770 3.797 -9.738 1.00 0.00 O ATOM 483 CB THR A 32 4.484 4.763 -7.038 1.00 0.00 C ATOM 484 OG1 THR A 32 5.049 5.562 -8.062 1.00 0.00 O ATOM 485 CG2 THR A 32 5.575 4.482 -6.023 1.00 0.00 C ATOM 0 H THR A 32 5.405 3.203 -9.001 1.00 0.00 H new ATOM 0 HA THR A 32 3.469 2.881 -6.800 1.00 0.00 H new ATOM 0 HB THR A 32 3.667 5.284 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.887 6.508 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.979 5.424 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.160 3.913 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.371 3.906 -6.495 1.00 0.00 H new ATOM 493 N PHE A 33 1.573 4.186 -7.868 1.00 0.00 N ATOM 494 CA PHE A 33 0.341 4.527 -8.572 1.00 0.00 C ATOM 495 C PHE A 33 -0.286 5.816 -8.043 1.00 0.00 C ATOM 496 O PHE A 33 0.192 6.409 -7.076 1.00 0.00 O ATOM 497 CB PHE A 33 -0.666 3.384 -8.489 1.00 0.00 C ATOM 498 CG PHE A 33 -0.141 2.073 -9.013 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.942 1.463 -8.410 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.737 1.442 -10.094 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.422 0.256 -8.864 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.260 0.232 -10.559 1.00 0.00 C ATOM 503 CZ PHE A 33 0.820 -0.364 -9.943 1.00 0.00 C ATOM 0 H PHE A 33 1.500 4.230 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 33 0.608 4.692 -9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.970 3.254 -7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.559 3.658 -9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.420 1.942 -7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.585 1.902 -10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.268 -0.207 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.732 -0.247 -11.404 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.194 -1.311 -10.302 1.00 0.00 H new ATOM 513 N GLU A 34 -1.345 6.252 -8.717 1.00 0.00 N ATOM 514 CA GLU A 34 -2.052 7.481 -8.379 1.00 0.00 C ATOM 515 C GLU A 34 -2.702 7.435 -6.981 1.00 0.00 C ATOM 516 O GLU A 34 -2.004 7.543 -5.972 1.00 0.00 O ATOM 517 CB GLU A 34 -3.108 7.736 -9.458 1.00 0.00 C ATOM 518 CG GLU A 34 -3.915 6.493 -9.816 1.00 0.00 C ATOM 519 CD GLU A 34 -5.411 6.738 -9.862 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.822 7.852 -10.245 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.170 5.806 -9.510 1.00 0.00 O ATOM 0 H GLU A 34 -1.739 5.759 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.329 8.296 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.788 8.516 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.617 8.113 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.585 6.122 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.705 5.710 -9.087 1.00 0.00 H new ATOM 528 N ASN A 35 -4.032 7.313 -6.917 1.00 0.00 N ATOM 529 CA ASN A 35 -4.745 7.301 -5.643 1.00 0.00 C ATOM 530 C ASN A 35 -4.869 5.900 -5.069 1.00 0.00 C ATOM 531 O ASN A 35 -4.556 5.667 -3.903 1.00 0.00 O ATOM 532 CB ASN A 35 -6.135 7.928 -5.794 1.00 0.00 C ATOM 533 CG ASN A 35 -6.897 7.392 -6.991 1.00 0.00 C ATOM 534 OD1 ASN A 35 -7.220 6.206 -7.058 1.00 0.00 O ATOM 535 ND2 ASN A 35 -7.197 8.269 -7.943 1.00 0.00 N ATOM 0 H ASN A 35 -4.634 7.221 -7.735 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.156 7.895 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.713 7.741 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.032 9.009 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.714 7.968 -8.769 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.910 9.243 -7.848 1.00 0.00 H new ATOM 542 N GLY A 36 -5.318 4.974 -5.897 1.00 0.00 N ATOM 543 CA GLY A 36 -5.472 3.601 -5.457 1.00 0.00 C ATOM 544 C GLY A 36 -6.134 2.719 -6.490 1.00 0.00 C ATOM 545 O GLY A 36 -5.710 1.586 -6.713 1.00 0.00 O ATOM 0 H GLY A 36 -5.580 5.146 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.492 3.192 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.062 3.583 -4.541 1.00 0.00 H new ATOM 549 N ASN A 37 -7.186 3.234 -7.116 1.00 0.00 N ATOM 550 CA ASN A 37 -7.914 2.475 -8.122 1.00 0.00 C ATOM 551 C ASN A 37 -6.975 1.944 -9.198 1.00 0.00 C ATOM 552 O ASN A 37 -7.265 0.939 -9.851 1.00 0.00 O ATOM 553 CB ASN A 37 -9.026 3.327 -8.736 1.00 0.00 C ATOM 554 CG ASN A 37 -10.184 3.530 -7.773 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.968 2.477 -7.553 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.369 4.620 -7.230 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.552 4.171 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.372 1.616 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.622 4.297 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.390 2.848 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.743 5.401 -7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.148 4.742 -6.583 1.00 0.00 H new ATOM 563 N GLU A 38 -5.844 2.615 -9.370 1.00 0.00 N ATOM 564 CA GLU A 38 -4.860 2.202 -10.356 1.00 0.00 C ATOM 565 C GLU A 38 -4.399 0.761 -10.117 1.00 0.00 C ATOM 566 O GLU A 38 -4.560 -0.092 -10.990 1.00 0.00 O ATOM 567 CB GLU A 38 -3.663 3.146 -10.327 1.00 0.00 C ATOM 568 CG GLU A 38 -2.947 3.273 -11.663 1.00 0.00 C ATOM 569 CD GLU A 38 -3.558 4.327 -12.560 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.757 4.207 -12.888 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.836 5.273 -12.941 1.00 0.00 O ATOM 0 H GLU A 38 -5.587 3.447 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.330 2.245 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.999 4.133 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.954 2.795 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.899 3.516 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.969 2.311 -12.174 1.00 0.00 H new ATOM 578 N VAL A 39 -3.820 0.484 -8.942 1.00 0.00 N ATOM 579 CA VAL A 39 -3.345 -0.870 -8.646 1.00 0.00 C ATOM 580 C VAL A 39 -4.472 -1.894 -8.728 1.00 0.00 C ATOM 581 O VAL A 39 -4.254 -3.024 -9.161 1.00 0.00 O ATOM 582 CB VAL A 39 -2.670 -0.960 -7.261 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.201 -2.376 -6.972 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.502 -0.003 -7.195 1.00 0.00 C ATOM 0 H VAL A 39 -3.672 1.164 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.601 -1.101 -9.409 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.405 -0.686 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.729 -2.410 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.055 -3.053 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.481 -2.683 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.030 -0.072 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.776 -0.261 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.856 1.015 -7.357 1.00 0.00 H new ATOM 594 N LEU A 40 -5.674 -1.505 -8.316 1.00 0.00 N ATOM 595 CA LEU A 40 -6.815 -2.416 -8.358 1.00 0.00 C ATOM 596 C LEU A 40 -6.889 -3.116 -9.709 1.00 0.00 C ATOM 597 O LEU A 40 -7.066 -4.331 -9.784 1.00 0.00 O ATOM 598 CB LEU A 40 -8.117 -1.662 -8.098 1.00 0.00 C ATOM 599 CG LEU A 40 -8.119 -0.767 -6.862 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.476 -0.117 -6.686 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.754 -1.560 -5.615 1.00 0.00 C ATOM 0 H LEU A 40 -5.884 -0.575 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.678 -3.164 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.342 -1.049 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.924 -2.388 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.369 0.010 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.463 0.519 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.706 0.488 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.236 -0.889 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.763 -0.899 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.479 -2.361 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.759 -1.989 -5.735 1.00 0.00 H new ATOM 613 N ALA A 41 -6.738 -2.335 -10.771 1.00 0.00 N ATOM 614 CA ALA A 41 -6.773 -2.869 -12.124 1.00 0.00 C ATOM 615 C ALA A 41 -5.480 -3.594 -12.456 1.00 0.00 C ATOM 616 O ALA A 41 -5.488 -4.698 -13.002 1.00 0.00 O ATOM 617 CB ALA A 41 -7.012 -1.747 -13.117 1.00 0.00 C ATOM 0 H ALA A 41 -6.590 -1.327 -10.720 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.591 -3.586 -12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.037 -2.155 -14.128 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.964 -1.263 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.207 -1.016 -13.040 1.00 0.00 H new ATOM 623 N ALA A 42 -4.371 -2.957 -12.120 1.00 0.00 N ATOM 624 CA ALA A 42 -3.050 -3.521 -12.373 1.00 0.00 C ATOM 625 C ALA A 42 -2.894 -4.869 -11.681 1.00 0.00 C ATOM 626 O ALA A 42 -2.154 -5.737 -12.146 1.00 0.00 O ATOM 627 CB ALA A 42 -1.965 -2.552 -11.909 1.00 0.00 C ATOM 0 H ALA A 42 -4.357 -2.043 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.943 -3.678 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.984 -2.985 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.061 -1.611 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.075 -2.367 -10.840 1.00 0.00 H new ATOM 633 N LEU A 43 -3.588 -5.030 -10.564 1.00 0.00 N ATOM 634 CA LEU A 43 -3.526 -6.264 -9.795 1.00 0.00 C ATOM 635 C LEU A 43 -4.252 -7.402 -10.499 1.00 0.00 C ATOM 636 O LEU A 43 -3.968 -8.575 -10.258 1.00 0.00 O ATOM 637 CB LEU A 43 -4.120 -6.046 -8.407 1.00 0.00 C ATOM 638 CG LEU A 43 -3.131 -5.517 -7.377 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.860 -4.905 -6.192 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.204 -6.629 -6.920 1.00 0.00 C ATOM 0 H LEU A 43 -4.203 -4.319 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.477 -6.545 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.952 -5.347 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.530 -6.990 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.532 -4.735 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.133 -4.534 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.484 -4.080 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.487 -5.662 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.502 -6.238 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.791 -7.431 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.653 -7.018 -7.776 1.00 0.00 H new ATOM 652 N ALA A 44 -5.189 -7.050 -11.366 1.00 0.00 N ATOM 653 CA ALA A 44 -5.957 -8.042 -12.105 1.00 0.00 C ATOM 654 C ALA A 44 -5.050 -8.967 -12.914 1.00 0.00 C ATOM 655 O ALA A 44 -5.472 -10.041 -13.340 1.00 0.00 O ATOM 656 CB ALA A 44 -6.961 -7.355 -13.016 1.00 0.00 C ATOM 0 H ALA A 44 -5.437 -6.083 -11.576 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.493 -8.656 -11.382 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.529 -8.107 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.642 -6.750 -12.417 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.433 -6.714 -13.722 1.00 0.00 H new ATOM 662 N SER A 45 -3.806 -8.543 -13.131 1.00 0.00 N ATOM 663 CA SER A 45 -2.857 -9.333 -13.896 1.00 0.00 C ATOM 664 C SER A 45 -1.611 -9.690 -13.079 1.00 0.00 C ATOM 665 O SER A 45 -0.771 -10.467 -13.532 1.00 0.00 O ATOM 666 CB SER A 45 -2.451 -8.583 -15.167 1.00 0.00 C ATOM 667 OG SER A 45 -2.811 -9.313 -16.328 1.00 0.00 O ATOM 0 H SER A 45 -3.437 -7.657 -12.786 1.00 0.00 H new ATOM 0 HA SER A 45 -3.352 -10.266 -14.163 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.932 -7.605 -15.185 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.375 -8.409 -15.162 1.00 0.00 H new ATOM 0 HG SER A 45 -2.542 -8.812 -17.126 1.00 0.00 H new ATOM 673 N LYS A 46 -1.490 -9.127 -11.877 1.00 0.00 N ATOM 674 CA LYS A 46 -0.339 -9.405 -11.024 1.00 0.00 C ATOM 675 C LYS A 46 -0.637 -9.079 -9.563 1.00 0.00 C ATOM 676 O LYS A 46 -1.549 -8.311 -9.264 1.00 0.00 O ATOM 677 CB LYS A 46 0.880 -8.612 -11.500 1.00 0.00 C ATOM 678 CG LYS A 46 2.156 -9.438 -11.558 1.00 0.00 C ATOM 679 CD LYS A 46 3.299 -8.751 -10.828 1.00 0.00 C ATOM 680 CE LYS A 46 4.647 -9.155 -11.401 1.00 0.00 C ATOM 681 NZ LYS A 46 5.727 -9.087 -10.380 1.00 0.00 N ATOM 0 H LYS A 46 -2.170 -8.481 -11.476 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.123 -10.471 -11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.675 -8.205 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.035 -7.764 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.977 -10.418 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.436 -9.605 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.181 -7.670 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.261 -9.006 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.584 -10.169 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.896 -8.502 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.585 -9.543 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.932 -8.092 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.420 -9.579 -9.517 1.00 0.00 H new ATOM 695 N THR A 47 0.135 -9.669 -8.654 1.00 0.00 N ATOM 696 CA THR A 47 -0.051 -9.437 -7.231 1.00 0.00 C ATOM 697 C THR A 47 1.285 -9.287 -6.503 1.00 0.00 C ATOM 698 O THR A 47 2.055 -10.243 -6.406 1.00 0.00 O ATOM 699 CB THR A 47 -0.853 -10.584 -6.608 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.145 -10.664 -7.184 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.027 -10.453 -5.107 1.00 0.00 C ATOM 0 H THR A 47 0.895 -10.311 -8.881 1.00 0.00 H new ATOM 0 HA THR A 47 -0.602 -8.503 -7.120 1.00 0.00 H new ATOM 0 HB THR A 47 -0.272 -11.483 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.641 -11.403 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.604 -11.299 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.048 -10.440 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.554 -9.526 -4.881 1.00 0.00 H new ATOM 709 N PRO A 48 1.574 -8.091 -5.957 1.00 0.00 N ATOM 710 CA PRO A 48 2.809 -7.847 -5.219 1.00 0.00 C ATOM 711 C PRO A 48 2.728 -8.404 -3.804 1.00 0.00 C ATOM 712 O PRO A 48 1.640 -8.721 -3.318 1.00 0.00 O ATOM 713 CB PRO A 48 2.905 -6.322 -5.190 1.00 0.00 C ATOM 714 CG PRO A 48 1.492 -5.853 -5.232 1.00 0.00 C ATOM 715 CD PRO A 48 0.714 -6.892 -5.997 1.00 0.00 C ATOM 0 HA PRO A 48 3.674 -8.328 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.411 -5.974 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.473 -5.945 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.093 -5.735 -4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.421 -4.880 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.256 -7.082 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.524 -6.573 -7.022 1.00 0.00 H new ATOM 723 N ASP A 49 3.870 -8.521 -3.141 1.00 0.00 N ATOM 724 CA ASP A 49 3.898 -9.039 -1.780 1.00 0.00 C ATOM 725 C ASP A 49 3.365 -7.998 -0.803 1.00 0.00 C ATOM 726 O ASP A 49 2.843 -8.336 0.259 1.00 0.00 O ATOM 727 CB ASP A 49 5.320 -9.447 -1.388 1.00 0.00 C ATOM 728 CG ASP A 49 5.797 -10.678 -2.134 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.175 -10.543 -3.317 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.792 -11.773 -1.536 1.00 0.00 O ATOM 0 H ASP A 49 4.782 -8.267 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 49 3.258 -9.921 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.000 -8.619 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.357 -9.639 -0.316 1.00 0.00 H new ATOM 735 N VAL A 50 3.496 -6.729 -1.175 1.00 0.00 N ATOM 736 CA VAL A 50 3.029 -5.630 -0.342 1.00 0.00 C ATOM 737 C VAL A 50 2.504 -4.506 -1.239 1.00 0.00 C ATOM 738 O VAL A 50 2.811 -4.476 -2.430 1.00 0.00 O ATOM 739 CB VAL A 50 4.172 -5.120 0.558 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.318 -4.610 -0.296 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.696 -4.047 1.531 1.00 0.00 C ATOM 0 H VAL A 50 3.924 -6.437 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 50 2.222 -5.978 0.302 1.00 0.00 H new ATOM 0 HB VAL A 50 4.525 -5.958 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.121 -4.252 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.691 -5.418 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.967 -3.793 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.533 -3.716 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.299 -3.200 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.915 -4.457 2.172 1.00 0.00 H new ATOM 751 N LEU A 51 1.697 -3.599 -0.692 1.00 0.00 N ATOM 752 CA LEU A 51 1.137 -2.522 -1.501 1.00 0.00 C ATOM 753 C LEU A 51 0.822 -1.276 -0.671 1.00 0.00 C ATOM 754 O LEU A 51 0.330 -1.366 0.452 1.00 0.00 O ATOM 755 CB LEU A 51 -0.136 -3.012 -2.203 1.00 0.00 C ATOM 756 CG LEU A 51 -0.870 -1.962 -3.039 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.213 -1.808 -4.399 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.335 -2.338 -3.202 1.00 0.00 C ATOM 0 H LEU A 51 1.421 -3.588 0.290 1.00 0.00 H new ATOM 0 HA LEU A 51 1.889 -2.241 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.126 -3.849 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.822 -3.395 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.812 -1.008 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.749 -1.057 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.823 -1.495 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.240 -2.762 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.841 -1.580 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.409 -3.303 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.806 -2.401 -2.221 1.00 0.00 H new ATOM 770 N LEU A 52 1.110 -0.111 -1.252 1.00 0.00 N ATOM 771 CA LEU A 52 0.859 1.173 -0.599 1.00 0.00 C ATOM 772 C LEU A 52 -0.374 1.830 -1.222 1.00 0.00 C ATOM 773 O LEU A 52 -0.541 1.792 -2.435 1.00 0.00 O ATOM 774 CB LEU A 52 2.081 2.087 -0.753 1.00 0.00 C ATOM 775 CG LEU A 52 2.978 2.202 0.482 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.436 1.953 0.116 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.818 3.569 1.127 1.00 0.00 C ATOM 0 H LEU A 52 1.521 -0.031 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 52 0.678 1.009 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.683 1.722 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.735 3.085 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 52 2.672 1.441 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.055 2.040 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.540 0.952 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.757 2.689 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.462 3.635 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.097 4.343 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.780 3.710 1.428 1.00 0.00 H new ATOM 789 N SER A 53 -1.244 2.411 -0.396 1.00 0.00 N ATOM 790 CA SER A 53 -2.464 3.046 -0.901 1.00 0.00 C ATOM 791 C SER A 53 -2.624 4.482 -0.398 1.00 0.00 C ATOM 792 O SER A 53 -2.452 4.763 0.790 1.00 0.00 O ATOM 793 CB SER A 53 -3.683 2.216 -0.490 1.00 0.00 C ATOM 794 OG SER A 53 -4.889 2.903 -0.774 1.00 0.00 O ATOM 0 H SER A 53 -1.130 2.456 0.617 1.00 0.00 H new ATOM 0 HA SER A 53 -2.385 3.089 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.672 1.262 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.631 1.992 0.575 1.00 0.00 H new ATOM 0 HG SER A 53 -5.130 3.470 -0.012 1.00 0.00 H new ATOM 800 N ASP A 54 -2.964 5.392 -1.311 1.00 0.00 N ATOM 801 CA ASP A 54 -3.157 6.796 -0.958 1.00 0.00 C ATOM 802 C ASP A 54 -4.557 7.046 -0.403 1.00 0.00 C ATOM 803 O ASP A 54 -5.410 6.162 -0.404 1.00 0.00 O ATOM 804 CB ASP A 54 -2.916 7.699 -2.171 1.00 0.00 C ATOM 805 CG ASP A 54 -2.649 9.141 -1.774 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.284 9.375 -0.598 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.808 10.034 -2.632 1.00 0.00 O ATOM 0 H ASP A 54 -3.111 5.181 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.430 7.037 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.068 7.319 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.785 7.661 -2.828 1.00 0.00 H new ATOM 812 N ILE A 55 -4.774 8.258 0.080 1.00 0.00 N ATOM 813 CA ILE A 55 -6.045 8.655 0.652 1.00 0.00 C ATOM 814 C ILE A 55 -6.384 10.088 0.229 1.00 0.00 C ATOM 815 O ILE A 55 -6.102 11.047 0.948 1.00 0.00 O ATOM 816 CB ILE A 55 -5.995 8.524 2.193 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.006 9.442 2.889 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.597 8.796 2.715 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.382 8.982 4.281 1.00 0.00 C ATOM 0 H ILE A 55 -4.069 8.995 0.085 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.830 7.997 0.281 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.269 7.496 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.591 10.448 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.908 9.504 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.588 8.698 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.900 8.079 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.296 9.807 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.100 9.679 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.827 7.988 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.490 8.947 4.906 1.00 0.00 H new ATOM 831 N ARG A 56 -6.972 10.226 -0.961 1.00 0.00 N ATOM 832 CA ARG A 56 -7.327 11.541 -1.491 1.00 0.00 C ATOM 833 C ARG A 56 -8.841 11.738 -1.549 1.00 0.00 C ATOM 834 O ARG A 56 -9.363 12.382 -2.459 1.00 0.00 O ATOM 835 CB ARG A 56 -6.712 11.736 -2.882 1.00 0.00 C ATOM 836 CG ARG A 56 -5.637 12.812 -2.922 1.00 0.00 C ATOM 837 CD ARG A 56 -5.300 13.216 -4.349 1.00 0.00 C ATOM 838 NE ARG A 56 -3.945 13.757 -4.459 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.945 13.156 -5.104 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.131 11.987 -5.706 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.749 13.728 -5.146 1.00 0.00 N ATOM 0 H ARG A 56 -7.211 9.446 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.922 12.291 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.283 10.792 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.502 11.995 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.976 13.686 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.738 12.447 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.399 12.350 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.017 13.961 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.753 14.654 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.047 11.539 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.358 11.537 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.596 14.625 -4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.982 13.271 -5.639 1.00 0.00 H new ATOM 855 N MET A 57 -9.536 11.198 -0.558 1.00 0.00 N ATOM 856 CA MET A 57 -10.989 11.325 -0.468 1.00 0.00 C ATOM 857 C MET A 57 -11.697 10.887 -1.751 1.00 0.00 C ATOM 858 O MET A 57 -12.512 11.628 -2.302 1.00 0.00 O ATOM 859 CB MET A 57 -11.368 12.768 -0.130 1.00 0.00 C ATOM 860 CG MET A 57 -12.519 12.877 0.855 1.00 0.00 C ATOM 861 SD MET A 57 -14.013 12.049 0.273 1.00 0.00 S ATOM 862 CE MET A 57 -15.250 12.815 1.317 1.00 0.00 C ATOM 0 H MET A 57 -9.116 10.663 0.202 1.00 0.00 H new ATOM 0 HA MET A 57 -11.321 10.658 0.327 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.497 13.277 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.636 13.290 -1.049 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.217 12.445 1.809 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.739 13.929 1.036 1.00 0.00 H new ATOM 0 HE1 MET A 57 -16.232 12.407 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.019 12.614 2.363 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.253 13.892 1.147 1.00 0.00 H new ATOM 872 N PRO A 58 -11.415 9.667 -2.235 1.00 0.00 N ATOM 873 CA PRO A 58 -12.051 9.138 -3.441 1.00 0.00 C ATOM 874 C PRO A 58 -13.496 8.707 -3.180 1.00 0.00 C ATOM 875 O PRO A 58 -14.437 9.304 -3.703 1.00 0.00 O ATOM 876 CB PRO A 58 -11.182 7.935 -3.808 1.00 0.00 C ATOM 877 CG PRO A 58 -10.529 7.506 -2.535 1.00 0.00 C ATOM 878 CD PRO A 58 -10.471 8.711 -1.632 1.00 0.00 C ATOM 0 HA PRO A 58 -12.113 9.882 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.785 7.131 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.439 8.203 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.094 6.701 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.527 7.122 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.760 8.457 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.463 9.124 -1.585 1.00 0.00 H new ATOM 886 N GLY A 59 -13.661 7.677 -2.357 1.00 0.00 N ATOM 887 CA GLY A 59 -14.987 7.184 -2.020 1.00 0.00 C ATOM 888 C GLY A 59 -15.208 7.140 -0.519 1.00 0.00 C ATOM 889 O GLY A 59 -16.337 7.254 -0.041 1.00 0.00 O ATOM 0 H GLY A 59 -12.895 7.170 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.740 7.824 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.120 6.185 -2.436 1.00 0.00 H new ATOM 893 N MET A 60 -14.114 6.987 0.219 1.00 0.00 N ATOM 894 CA MET A 60 -14.152 6.939 1.673 1.00 0.00 C ATOM 895 C MET A 60 -12.800 7.373 2.229 1.00 0.00 C ATOM 896 O MET A 60 -12.094 6.594 2.865 1.00 0.00 O ATOM 897 CB MET A 60 -14.506 5.532 2.167 1.00 0.00 C ATOM 898 CG MET A 60 -14.914 5.487 3.633 1.00 0.00 C ATOM 899 SD MET A 60 -16.578 4.836 3.880 1.00 0.00 S ATOM 900 CE MET A 60 -16.452 3.252 3.055 1.00 0.00 C ATOM 0 H MET A 60 -13.178 6.893 -0.175 1.00 0.00 H new ATOM 0 HA MET A 60 -14.926 7.620 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.320 5.136 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.648 4.876 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.203 4.871 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.857 6.492 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.137 2.544 3.520 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.710 3.368 2.002 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.432 2.878 3.139 1.00 0.00 H new ATOM 910 N ASP A 61 -12.452 8.627 1.952 1.00 0.00 N ATOM 911 CA ASP A 61 -11.190 9.222 2.383 1.00 0.00 C ATOM 912 C ASP A 61 -9.983 8.387 1.947 1.00 0.00 C ATOM 913 O ASP A 61 -9.351 8.700 0.939 1.00 0.00 O ATOM 914 CB ASP A 61 -11.179 9.495 3.896 1.00 0.00 C ATOM 915 CG ASP A 61 -11.615 8.318 4.745 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.835 8.074 4.845 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.733 7.643 5.317 1.00 0.00 O ATOM 0 H ASP A 61 -13.043 9.264 1.418 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.105 10.186 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.172 9.789 4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.833 10.341 4.105 1.00 0.00 H new ATOM 922 N GLY A 62 -9.646 7.341 2.696 1.00 0.00 N ATOM 923 CA GLY A 62 -8.497 6.525 2.335 1.00 0.00 C ATOM 924 C GLY A 62 -8.739 5.036 2.477 1.00 0.00 C ATOM 925 O GLY A 62 -8.068 4.230 1.834 1.00 0.00 O ATOM 0 H GLY A 62 -10.141 7.045 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.218 6.742 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.651 6.808 2.961 1.00 0.00 H new ATOM 929 N LEU A 63 -9.681 4.665 3.327 1.00 0.00 N ATOM 930 CA LEU A 63 -9.982 3.262 3.552 1.00 0.00 C ATOM 931 C LEU A 63 -10.817 2.689 2.410 1.00 0.00 C ATOM 932 O LEU A 63 -10.859 1.474 2.213 1.00 0.00 O ATOM 933 CB LEU A 63 -10.680 3.052 4.901 1.00 0.00 C ATOM 934 CG LEU A 63 -10.611 4.237 5.867 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.820 5.141 5.691 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.486 3.758 7.304 1.00 0.00 C ATOM 0 H LEU A 63 -10.249 5.314 3.871 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.036 2.722 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.728 2.816 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.239 2.182 5.388 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.719 4.819 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.753 5.978 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.846 5.520 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.730 4.575 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.439 4.618 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.351 3.147 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.578 3.165 7.412 1.00 0.00 H new ATOM 948 N ALA A 64 -11.458 3.565 1.639 1.00 0.00 N ATOM 949 CA ALA A 64 -12.258 3.127 0.501 1.00 0.00 C ATOM 950 C ALA A 64 -11.411 2.274 -0.429 1.00 0.00 C ATOM 951 O ALA A 64 -11.906 1.358 -1.086 1.00 0.00 O ATOM 952 CB ALA A 64 -12.813 4.327 -0.249 1.00 0.00 C ATOM 0 H ALA A 64 -11.439 4.575 1.781 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.094 2.531 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.408 3.984 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.440 4.916 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.989 4.943 -0.610 1.00 0.00 H new ATOM 958 N LEU A 65 -10.122 2.587 -0.465 1.00 0.00 N ATOM 959 CA LEU A 65 -9.178 1.864 -1.297 1.00 0.00 C ATOM 960 C LEU A 65 -9.005 0.442 -0.790 1.00 0.00 C ATOM 961 O LEU A 65 -8.861 -0.496 -1.573 1.00 0.00 O ATOM 962 CB LEU A 65 -7.835 2.589 -1.308 1.00 0.00 C ATOM 963 CG LEU A 65 -7.832 3.927 -2.047 1.00 0.00 C ATOM 964 CD1 LEU A 65 -8.466 5.022 -1.200 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.416 4.307 -2.430 1.00 0.00 C ATOM 0 H LEU A 65 -9.707 3.344 0.079 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.566 1.822 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.522 2.759 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.090 1.937 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.427 3.818 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.450 5.963 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.497 4.753 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.905 5.135 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.425 5.262 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.807 4.394 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.996 3.539 -3.080 1.00 0.00 H new ATOM 977 N LEU A 66 -9.037 0.291 0.527 1.00 0.00 N ATOM 978 CA LEU A 66 -8.899 -1.017 1.144 1.00 0.00 C ATOM 979 C LEU A 66 -10.059 -1.908 0.733 1.00 0.00 C ATOM 980 O LEU A 66 -9.871 -3.080 0.405 1.00 0.00 O ATOM 981 CB LEU A 66 -8.844 -0.878 2.662 1.00 0.00 C ATOM 982 CG LEU A 66 -7.807 0.123 3.167 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.125 0.551 4.588 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.412 -0.474 3.085 1.00 0.00 C ATOM 0 H LEU A 66 -9.157 1.059 1.187 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.970 -1.475 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.827 -0.577 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.630 -1.855 3.097 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.841 1.007 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.375 1.264 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.109 1.019 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.120 -0.322 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.684 0.251 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.365 -1.374 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.185 -0.728 2.050 1.00 0.00 H new ATOM 996 N LYS A 67 -11.261 -1.337 0.732 1.00 0.00 N ATOM 997 CA LYS A 67 -12.450 -2.077 0.336 1.00 0.00 C ATOM 998 C LYS A 67 -12.252 -2.671 -1.054 1.00 0.00 C ATOM 999 O LYS A 67 -12.397 -3.872 -1.258 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.677 -1.165 0.345 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.986 -1.914 0.160 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.168 -0.961 0.095 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.470 -1.667 0.439 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.786 -2.753 -0.530 1.00 0.00 N ATOM 0 H LYS A 67 -11.434 -0.368 1.000 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.613 -2.884 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.709 -0.620 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.576 -0.424 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.942 -2.504 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.126 -2.613 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.008 -0.133 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.238 -0.533 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.402 -2.085 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.284 -0.942 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.721 -3.153 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.793 -2.366 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.065 -3.500 -0.462 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.905 -1.816 -2.010 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.669 -2.253 -3.377 1.00 0.00 C ATOM 1020 C GLN A 68 -10.625 -3.371 -3.427 1.00 0.00 C ATOM 1021 O GLN A 68 -10.778 -4.347 -4.161 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.187 -1.078 -4.225 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.230 0.005 -4.441 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.803 1.376 -3.937 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -10.572 1.773 -4.236 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -12.581 2.078 -3.292 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.781 -0.815 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.610 -2.635 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.313 -0.635 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.864 -1.454 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.455 0.073 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.152 -0.286 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.520 1.739 -3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.287 2.999 -2.968 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.556 -3.204 -2.653 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.466 -4.177 -2.611 1.00 0.00 C ATOM 1037 C ILE A 69 -8.946 -5.560 -2.178 1.00 0.00 C ATOM 1038 O ILE A 69 -8.506 -6.577 -2.716 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.340 -3.698 -1.666 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.716 -2.409 -2.210 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.270 -4.771 -1.479 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.173 -1.499 -1.132 1.00 0.00 C ATOM 0 H ILE A 69 -9.420 -2.398 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.077 -4.259 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.780 -3.500 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.910 -2.667 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.465 -1.868 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.495 -4.399 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.722 -5.665 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.828 -5.016 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.747 -0.607 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.980 -1.211 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.400 -2.022 -0.569 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.833 -5.590 -1.202 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.361 -6.848 -0.683 1.00 0.00 C ATOM 1056 C LYS A 70 -11.356 -7.489 -1.644 1.00 0.00 C ATOM 1057 O LYS A 70 -11.603 -8.694 -1.586 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.038 -6.618 0.672 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.343 -5.841 0.578 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.467 -6.525 1.339 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.147 -6.649 2.818 1.00 0.00 C ATOM 1062 NZ LYS A 70 -12.812 -5.332 3.427 1.00 0.00 N ATOM 0 H LYS A 70 -10.207 -4.757 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.518 -7.529 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.233 -7.583 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.351 -6.080 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.196 -4.836 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.627 -5.733 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.390 -5.959 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.641 -7.516 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.001 -7.083 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.310 -7.334 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.800 -5.422 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.876 -5.024 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.526 -4.629 3.149 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.947 -6.673 -2.504 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.944 -7.152 -3.451 1.00 0.00 C ATOM 1078 C GLN A 71 -12.352 -8.062 -4.520 1.00 0.00 C ATOM 1079 O GLN A 71 -12.866 -9.150 -4.776 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.656 -5.966 -4.103 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.034 -5.698 -3.520 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.480 -4.262 -3.710 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.739 -3.330 -3.123 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -16.479 -3.992 -4.377 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.753 -5.674 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.660 -7.750 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.041 -5.074 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.751 -6.152 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.758 -6.364 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.026 -5.934 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.020 -4.740 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.766 -3.020 -4.496 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.297 -7.600 -5.162 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.663 -8.364 -6.234 1.00 0.00 C ATOM 1095 C ARG A 72 -9.510 -9.226 -5.737 1.00 0.00 C ATOM 1096 O ARG A 72 -9.275 -10.321 -6.250 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.169 -7.421 -7.330 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.260 -7.003 -8.302 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.432 -5.493 -8.343 1.00 0.00 C ATOM 1100 NE ARG A 72 -12.047 -5.050 -9.591 1.00 0.00 N ATOM 1101 CZ ARG A 72 -13.312 -5.295 -9.921 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -14.111 -5.947 -9.085 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.783 -4.883 -11.090 1.00 0.00 N ATOM 0 H ARG A 72 -10.857 -6.701 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.421 -9.037 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.743 -6.530 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.366 -7.908 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.017 -7.368 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.202 -7.468 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.047 -5.175 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.460 -5.013 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.473 -4.522 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.756 -6.264 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.080 -6.131 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.175 -4.379 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.753 -5.071 -11.344 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.779 -8.720 -4.763 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.627 -9.437 -4.223 1.00 0.00 C ATOM 1119 C HIS A 73 -7.972 -10.155 -2.918 1.00 0.00 C ATOM 1120 O HIS A 73 -8.760 -9.655 -2.115 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.475 -8.455 -4.020 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.525 -7.314 -4.987 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.579 -5.979 -4.783 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.576 -7.494 -6.353 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.663 -5.383 -6.015 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -6.659 -6.317 -6.947 1.00 0.00 N flip ATOM 0 H HIS A 73 -8.957 -7.816 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.326 -10.205 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.506 -8.067 -3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.527 -8.982 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.552 -8.448 -6.858 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.723 -4.320 -6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.711 -6.158 -7.953 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.388 -11.351 -2.695 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.646 -12.145 -1.487 1.00 0.00 C ATOM 1137 C PRO A 74 -7.229 -11.425 -0.209 1.00 0.00 C ATOM 1138 O PRO A 74 -8.076 -11.006 0.579 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.803 -13.412 -1.687 1.00 0.00 C ATOM 1140 CG PRO A 74 -6.505 -13.457 -3.146 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.446 -12.028 -3.601 1.00 0.00 C ATOM 0 HA PRO A 74 -8.711 -12.345 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.886 -13.372 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.347 -14.301 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.560 -13.966 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.277 -14.006 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.439 -11.619 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.745 -11.924 -4.644 1.00 0.00 H new ATOM 1149 N MET A 75 -5.922 -11.286 -0.003 1.00 0.00 N ATOM 1150 CA MET A 75 -5.415 -10.619 1.188 1.00 0.00 C ATOM 1151 C MET A 75 -4.109 -9.886 0.905 1.00 0.00 C ATOM 1152 O MET A 75 -3.112 -10.077 1.602 1.00 0.00 O ATOM 1153 CB MET A 75 -5.214 -11.629 2.321 1.00 0.00 C ATOM 1154 CG MET A 75 -6.483 -12.368 2.715 1.00 0.00 C ATOM 1155 SD MET A 75 -6.231 -13.478 4.114 1.00 0.00 S ATOM 1156 CE MET A 75 -7.789 -14.361 4.136 1.00 0.00 C ATOM 0 H MET A 75 -5.201 -11.624 -0.641 1.00 0.00 H new ATOM 0 HA MET A 75 -6.157 -9.881 1.493 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.460 -12.356 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.822 -11.108 3.194 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.258 -11.644 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.846 -12.941 1.862 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.785 -15.086 4.950 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.606 -13.654 4.283 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.926 -14.881 3.188 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.124 -9.040 -0.117 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.947 -8.272 -0.484 1.00 0.00 C ATOM 1168 C LEU A 76 -2.683 -7.170 0.539 1.00 0.00 C ATOM 1169 O LEU A 76 -3.475 -6.237 0.667 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.130 -7.654 -1.871 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.973 -6.770 -2.340 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.956 -7.594 -3.113 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.491 -5.620 -3.190 1.00 0.00 C ATOM 0 H LEU A 76 -4.940 -8.870 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.091 -8.947 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.271 -8.457 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.044 -7.061 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.480 -6.351 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.139 -6.951 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.563 -8.382 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.436 -8.041 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.654 -5.002 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.009 -6.017 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.182 -5.016 -2.602 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.566 -7.254 1.286 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.223 -6.246 2.295 1.00 0.00 C ATOM 1187 C PRO A 77 -1.222 -4.836 1.710 1.00 0.00 C ATOM 1188 O PRO A 77 -0.661 -4.598 0.640 1.00 0.00 O ATOM 1189 CB PRO A 77 0.185 -6.652 2.738 1.00 0.00 C ATOM 1190 CG PRO A 77 0.254 -8.113 2.459 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.559 -8.328 1.214 1.00 0.00 C ATOM 0 HA PRO A 77 -1.942 -6.216 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.949 -6.105 2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.345 -6.441 3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.285 -8.436 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.146 -8.690 3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.052 -8.249 0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.022 -9.315 1.200 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.866 -3.909 2.412 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.956 -2.527 1.956 1.00 0.00 C ATOM 1201 C VAL A 78 -1.480 -1.552 3.026 1.00 0.00 C ATOM 1202 O VAL A 78 -1.668 -1.783 4.220 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.398 -2.144 1.565 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.393 -0.935 0.642 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.120 -3.315 0.914 1.00 0.00 C ATOM 0 H VAL A 78 -2.334 -4.091 3.300 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.311 -2.458 1.080 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.939 -1.884 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.418 -0.677 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.927 -0.091 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.831 -1.170 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.134 -3.015 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.584 -3.618 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.159 -4.152 1.612 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.876 -0.453 2.588 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.387 0.565 3.505 1.00 0.00 C ATOM 1217 C ILE A 79 -0.930 1.940 3.133 1.00 0.00 C ATOM 1218 O ILE A 79 -0.639 2.460 2.057 1.00 0.00 O ATOM 1219 CB ILE A 79 1.149 0.626 3.517 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.746 -0.776 3.667 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.615 1.528 4.643 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.886 -1.055 2.712 1.00 0.00 C ATOM 0 H ILE A 79 -0.714 -0.246 1.602 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.739 0.288 4.499 1.00 0.00 H new ATOM 0 HB ILE A 79 1.493 1.037 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.101 -0.903 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.961 -1.515 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.704 1.569 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.215 2.531 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.262 1.133 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.259 -2.066 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.532 -0.961 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.690 -0.339 2.886 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.721 2.524 4.024 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.306 3.837 3.778 1.00 0.00 C ATOM 1236 C ILE A 80 -1.444 4.951 4.377 1.00 0.00 C ATOM 1237 O ILE A 80 -0.813 4.771 5.418 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.744 3.933 4.335 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.516 2.638 4.060 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.474 5.120 3.724 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.185 1.519 5.021 1.00 0.00 C ATOM 0 H ILE A 80 -1.972 2.111 4.922 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.346 3.967 2.696 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.683 4.079 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.585 2.845 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.303 2.307 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.485 5.172 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.939 6.039 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.521 5.000 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.769 0.635 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.123 1.284 4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.424 1.830 6.038 1.00 0.00 H new ATOM 1253 N MET A 81 -1.410 6.094 3.694 1.00 0.00 N ATOM 1254 CA MET A 81 -0.605 7.242 4.140 1.00 0.00 C ATOM 1255 C MET A 81 -1.371 8.145 5.111 1.00 0.00 C ATOM 1256 O MET A 81 -0.765 8.891 5.875 1.00 0.00 O ATOM 1257 CB MET A 81 -0.105 8.078 2.953 1.00 0.00 C ATOM 1258 CG MET A 81 -0.847 7.863 1.643 1.00 0.00 C ATOM 1259 SD MET A 81 0.072 6.820 0.496 1.00 0.00 S ATOM 1260 CE MET A 81 0.286 5.324 1.455 1.00 0.00 C ATOM 0 H MET A 81 -1.928 6.255 2.830 1.00 0.00 H new ATOM 0 HA MET A 81 0.253 6.822 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.172 9.133 3.220 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.950 7.856 2.794 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.816 7.407 1.848 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.041 8.829 1.176 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.506 4.492 0.787 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.111 5.455 2.155 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.629 5.113 2.008 1.00 0.00 H new ATOM 1270 N THR A 82 -2.697 8.086 5.078 1.00 0.00 N ATOM 1271 CA THR A 82 -3.516 8.913 5.968 1.00 0.00 C ATOM 1272 C THR A 82 -4.807 8.182 6.339 1.00 0.00 C ATOM 1273 O THR A 82 -5.358 7.448 5.524 1.00 0.00 O ATOM 1274 CB THR A 82 -3.848 10.252 5.302 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.738 10.741 4.561 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.234 11.323 6.298 1.00 0.00 C ATOM 0 H THR A 82 -3.228 7.481 4.452 1.00 0.00 H new ATOM 0 HA THR A 82 -2.945 9.104 6.877 1.00 0.00 H new ATOM 0 HB THR A 82 -4.696 10.049 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.974 11.596 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.458 12.249 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.114 11.002 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.408 11.491 6.989 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.292 8.387 7.567 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.526 7.736 8.017 1.00 0.00 C ATOM 1286 C ALA A 83 -7.708 8.705 8.011 1.00 0.00 C ATOM 1287 O ALA A 83 -8.854 8.298 7.821 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.343 7.139 9.404 1.00 0.00 C ATOM 0 H ALA A 83 -4.854 8.992 8.261 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.747 6.933 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.270 6.661 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.543 6.399 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.084 7.929 10.109 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.418 9.987 8.214 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.445 11.026 8.228 1.00 0.00 C ATOM 1296 C HIS A 84 -9.679 10.612 9.043 1.00 0.00 C ATOM 1297 O HIS A 84 -9.726 10.830 10.253 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.838 11.385 6.795 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.915 12.374 6.151 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.137 13.259 6.869 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -7.641 12.610 4.846 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.426 13.994 6.034 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -6.714 13.621 4.801 1.00 0.00 N ATOM 0 H HIS A 84 -6.472 10.334 8.372 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.024 11.904 8.718 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.860 10.476 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.850 11.791 6.795 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.072 12.098 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.727 14.769 6.313 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.313 14.020 3.952 1.00 0.00 H new ATOM 1312 N SER A 85 -10.680 10.028 8.380 1.00 0.00 N ATOM 1313 CA SER A 85 -11.903 9.610 9.065 1.00 0.00 C ATOM 1314 C SER A 85 -12.419 8.278 8.525 1.00 0.00 C ATOM 1315 O SER A 85 -11.759 7.624 7.719 1.00 0.00 O ATOM 1316 CB SER A 85 -12.985 10.684 8.916 1.00 0.00 C ATOM 1317 OG SER A 85 -13.208 11.358 10.142 1.00 0.00 O ATOM 0 H SER A 85 -10.668 9.836 7.378 1.00 0.00 H new ATOM 0 HA SER A 85 -11.664 9.478 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.686 11.402 8.152 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.913 10.225 8.576 1.00 0.00 H new ATOM 0 HG SER A 85 -13.902 12.039 10.019 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.608 7.885 8.981 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.227 6.634 8.552 1.00 0.00 C ATOM 1325 C ASP A 86 -13.326 5.444 8.862 1.00 0.00 C ATOM 1326 O ASP A 86 -13.305 4.460 8.123 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.540 6.679 7.056 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.439 7.843 6.687 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.480 8.023 7.353 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.101 8.574 5.733 1.00 0.00 O ATOM 0 H ASP A 86 -14.163 8.419 9.650 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.158 6.513 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.608 6.751 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.019 5.746 6.760 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.584 5.546 9.963 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.667 4.491 10.393 1.00 0.00 C ATOM 1337 C LEU A 87 -12.326 3.110 10.394 1.00 0.00 C ATOM 1338 O LEU A 87 -11.638 2.090 10.357 1.00 0.00 O ATOM 1339 CB LEU A 87 -11.118 4.808 11.787 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.641 5.205 11.829 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.174 5.372 13.265 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.788 4.172 11.105 1.00 0.00 C ATOM 0 H LEU A 87 -12.601 6.358 10.580 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.850 4.461 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.708 5.617 12.217 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.262 3.935 12.424 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.528 6.161 11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.121 5.654 13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.763 6.150 13.751 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.302 4.432 13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.741 4.472 11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.906 3.201 11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.105 4.103 10.065 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.653 3.080 10.449 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.388 1.816 10.471 1.00 0.00 C ATOM 1356 C ASP A 88 -13.888 0.860 9.389 1.00 0.00 C ATOM 1357 O ASP A 88 -13.694 -0.328 9.643 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.884 2.071 10.276 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.547 2.623 11.523 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.798 1.837 12.461 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.819 3.842 11.560 1.00 0.00 O ATOM 0 H ASP A 88 -14.242 3.912 10.479 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.219 1.353 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.025 2.771 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.374 1.140 9.990 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.684 1.382 8.183 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.211 0.563 7.075 1.00 0.00 C ATOM 1368 C ALA A 89 -11.762 0.130 7.276 1.00 0.00 C ATOM 1369 O ALA A 89 -11.316 -0.856 6.688 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.369 1.305 5.756 1.00 0.00 C ATOM 0 H ALA A 89 -13.838 2.363 7.950 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.824 -0.338 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.010 0.677 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.421 1.542 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.789 2.228 5.786 1.00 0.00 H new ATOM 1376 N ALA A 90 -11.028 0.864 8.108 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.629 0.537 8.376 1.00 0.00 C ATOM 1378 C ALA A 90 -9.512 -0.767 9.153 1.00 0.00 C ATOM 1379 O ALA A 90 -8.554 -1.519 8.976 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.938 1.663 9.136 1.00 0.00 C ATOM 0 H ALA A 90 -11.375 1.684 8.606 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.131 0.413 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.899 1.392 9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.975 2.578 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.446 1.826 10.087 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.491 -1.037 10.013 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.472 -2.260 10.801 1.00 0.00 C ATOM 1388 C VAL A 91 -10.750 -3.468 9.919 1.00 0.00 C ATOM 1389 O VAL A 91 -10.130 -4.520 10.075 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.479 -2.235 11.964 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.194 -3.385 12.919 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.425 -0.902 12.696 1.00 0.00 C ATOM 0 H VAL A 91 -11.296 -0.433 10.179 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.473 -2.334 11.230 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.484 -2.354 11.560 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.910 -3.362 13.740 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.284 -4.331 12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.184 -3.286 13.316 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.145 -0.907 13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.423 -0.747 13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.668 -0.096 12.003 1.00 0.00 H new ATOM 1402 N SER A 92 -11.669 -3.305 8.974 1.00 0.00 N ATOM 1403 CA SER A 92 -12.001 -4.378 8.052 1.00 0.00 C ATOM 1404 C SER A 92 -10.833 -4.623 7.102 1.00 0.00 C ATOM 1405 O SER A 92 -10.717 -5.692 6.503 1.00 0.00 O ATOM 1406 CB SER A 92 -13.265 -4.040 7.261 1.00 0.00 C ATOM 1407 OG SER A 92 -13.044 -2.945 6.391 1.00 0.00 O ATOM 0 H SER A 92 -12.194 -2.443 8.829 1.00 0.00 H new ATOM 0 HA SER A 92 -12.191 -5.285 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.580 -4.909 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.076 -3.804 7.949 1.00 0.00 H new ATOM 0 HG SER A 92 -12.360 -2.356 6.773 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.961 -3.622 6.980 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.794 -3.720 6.121 1.00 0.00 C ATOM 1415 C ALA A 93 -7.826 -4.758 6.661 1.00 0.00 C ATOM 1416 O ALA A 93 -7.281 -5.570 5.917 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.121 -2.365 5.996 1.00 0.00 C ATOM 0 H ALA A 93 -10.047 -2.732 7.471 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.112 -4.038 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.247 -2.451 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.822 -1.649 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.810 -2.021 6.982 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.636 -4.744 7.967 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.758 -5.712 8.607 1.00 0.00 C ATOM 1425 C TYR A 94 -7.342 -7.108 8.432 1.00 0.00 C ATOM 1426 O TYR A 94 -6.627 -8.110 8.442 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.594 -5.411 10.100 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.450 -3.942 10.432 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.468 -3.164 9.834 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.294 -3.335 11.356 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.331 -1.824 10.148 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.161 -1.996 11.671 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.179 -1.247 11.066 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.044 0.087 11.378 1.00 0.00 O ATOM 0 H TYR A 94 -8.074 -4.078 8.604 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.776 -5.651 8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.457 -5.808 10.635 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.717 -5.942 10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.801 -3.612 9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.066 -3.919 11.835 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.561 -1.232 9.675 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.826 -1.540 12.390 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.720 0.338 12.041 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.662 -7.150 8.268 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.385 -8.399 8.086 1.00 0.00 C ATOM 1446 C GLN A 95 -9.212 -8.918 6.659 1.00 0.00 C ATOM 1447 O GLN A 95 -9.085 -10.122 6.440 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.871 -8.189 8.415 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.809 -9.222 7.803 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.171 -8.906 6.363 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.622 -7.680 6.117 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -12.049 -9.757 5.482 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.256 -6.321 8.258 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.977 -9.148 8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.995 -8.202 9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.169 -7.198 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.339 -10.205 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.720 -9.277 8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.699 -10.686 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.298 -9.533 4.519 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.212 -8.004 5.692 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.055 -8.384 4.296 1.00 0.00 C ATOM 1463 C GLN A 96 -7.599 -8.699 3.968 1.00 0.00 C ATOM 1464 O GLN A 96 -7.319 -9.357 2.970 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.575 -7.282 3.369 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.761 -6.001 3.418 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.847 -5.835 2.220 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.509 -6.804 1.540 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.439 -4.598 1.959 1.00 0.00 N ATOM 0 H GLN A 96 -9.318 -7.002 5.850 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.645 -9.286 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.584 -7.656 2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.608 -7.055 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.438 -5.148 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.163 -5.992 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.745 -3.825 2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.820 -4.421 1.168 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.676 -8.240 4.810 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.267 -8.506 4.575 1.00 0.00 C ATOM 1480 C GLY A 97 -4.392 -7.266 4.675 1.00 0.00 C ATOM 1481 O GLY A 97 -3.166 -7.371 4.691 1.00 0.00 O ATOM 0 H GLY A 97 -6.877 -7.692 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.920 -9.246 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.148 -8.946 3.585 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.013 -6.090 4.742 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.270 -4.833 4.836 1.00 0.00 C ATOM 1487 C ALA A 98 -3.190 -4.905 5.915 1.00 0.00 C ATOM 1488 O ALA A 98 -3.291 -5.702 6.848 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.219 -3.681 5.118 1.00 0.00 C ATOM 0 H ALA A 98 -6.027 -5.980 4.733 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.777 -4.662 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.653 -2.752 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.948 -3.604 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.738 -3.859 6.060 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.153 -4.077 5.786 1.00 0.00 N ATOM 1496 CA PHE A 99 -1.069 -4.069 6.759 1.00 0.00 C ATOM 1497 C PHE A 99 -1.378 -3.151 7.939 1.00 0.00 C ATOM 1498 O PHE A 99 -1.316 -3.573 9.093 1.00 0.00 O ATOM 1499 CB PHE A 99 0.250 -3.644 6.108 1.00 0.00 C ATOM 1500 CG PHE A 99 1.417 -3.702 7.055 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.606 -4.812 7.866 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.317 -2.650 7.144 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.670 -4.873 8.745 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.384 -2.710 8.022 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.559 -3.822 8.823 1.00 0.00 C ATOM 0 H PHE A 99 -2.044 -3.409 5.023 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.970 -5.088 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.451 -4.289 5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.150 -2.628 5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.913 -5.638 7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.183 -1.777 6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.805 -5.743 9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.081 -1.887 8.081 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.391 -3.868 9.510 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.706 -1.892 7.645 1.00 0.00 N ATOM 1516 CA ASP A 100 -2.019 -0.916 8.691 1.00 0.00 C ATOM 1517 C ASP A 100 -2.101 0.496 8.125 1.00 0.00 C ATOM 1518 O ASP A 100 -2.179 0.686 6.912 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.970 -0.975 9.811 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.557 -1.447 11.127 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.531 -2.228 11.096 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.042 -1.036 12.189 1.00 0.00 O ATOM 0 H ASP A 100 -1.762 -1.525 6.695 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.995 -1.173 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.163 -1.645 9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.530 0.013 9.946 1.00 0.00 H new ATOM 1527 N TYR A 101 -2.093 1.484 9.017 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.179 2.880 8.609 1.00 0.00 C ATOM 1529 C TYR A 101 -0.971 3.674 9.094 1.00 0.00 C ATOM 1530 O TYR A 101 -0.558 3.568 10.249 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.473 3.505 9.135 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.579 3.540 8.106 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.332 2.406 7.819 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.862 4.710 7.414 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.336 2.445 6.868 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.865 4.752 6.466 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.596 3.620 6.197 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.594 3.661 5.255 1.00 0.00 O ATOM 0 H TYR A 101 -2.028 1.342 10.025 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.186 2.914 7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.813 2.943 10.005 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.267 4.521 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.130 1.484 8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.288 5.601 7.621 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.914 1.558 6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.074 5.671 5.938 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.681 4.574 4.910 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.409 4.468 8.191 1.00 0.00 N ATOM 1549 CA LEU A 102 0.756 5.289 8.493 1.00 0.00 C ATOM 1550 C LEU A 102 0.427 6.764 8.263 1.00 0.00 C ATOM 1551 O LEU A 102 -0.280 7.098 7.319 1.00 0.00 O ATOM 1552 CB LEU A 102 1.927 4.843 7.605 1.00 0.00 C ATOM 1553 CG LEU A 102 3.102 5.818 7.483 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.110 5.586 8.597 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.767 5.664 6.125 1.00 0.00 C ATOM 0 H LEU A 102 -0.746 4.561 7.233 1.00 0.00 H new ATOM 0 HA LEU A 102 1.038 5.165 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.307 3.897 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.541 4.647 6.605 1.00 0.00 H new ATOM 0 HG LEU A 102 2.721 6.835 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.937 6.289 8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.626 5.736 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.491 4.566 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.601 6.361 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.135 4.644 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.042 5.876 5.339 1.00 0.00 H new ATOM 1567 N PRO A 103 0.931 7.669 9.123 1.00 0.00 N ATOM 1568 CA PRO A 103 0.675 9.110 8.990 1.00 0.00 C ATOM 1569 C PRO A 103 1.108 9.639 7.627 1.00 0.00 C ATOM 1570 O PRO A 103 1.790 8.940 6.876 1.00 0.00 O ATOM 1571 CB PRO A 103 1.521 9.734 10.111 1.00 0.00 C ATOM 1572 CG PRO A 103 2.498 8.676 10.494 1.00 0.00 C ATOM 1573 CD PRO A 103 1.784 7.374 10.281 1.00 0.00 C ATOM 0 HA PRO A 103 -0.386 9.349 9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.030 10.634 9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.900 10.023 10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.399 8.734 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.810 8.787 11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.478 6.559 10.077 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.199 7.084 11.154 1.00 0.00 H new ATOM 1581 N LYS A 104 0.707 10.871 7.302 1.00 0.00 N ATOM 1582 CA LYS A 104 1.059 11.473 6.015 1.00 0.00 C ATOM 1583 C LYS A 104 2.519 11.205 5.662 1.00 0.00 C ATOM 1584 O LYS A 104 2.809 10.664 4.596 1.00 0.00 O ATOM 1585 CB LYS A 104 0.778 12.975 6.008 1.00 0.00 C ATOM 1586 CG LYS A 104 0.082 13.446 4.739 1.00 0.00 C ATOM 1587 CD LYS A 104 0.861 13.051 3.490 1.00 0.00 C ATOM 1588 CE LYS A 104 0.327 11.764 2.872 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.386 11.791 1.381 1.00 0.00 N ATOM 0 H LYS A 104 0.143 11.467 7.908 1.00 0.00 H new ATOM 0 HA LYS A 104 0.431 11.006 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.159 13.227 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.718 13.515 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.920 13.019 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.034 14.529 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.805 13.856 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.913 12.923 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.905 10.917 3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.704 11.610 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.573 11.682 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.786 12.698 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.986 11.012 1.043 1.00 0.00 H new ATOM 1603 N PRO A 105 3.468 11.547 6.559 1.00 0.00 N ATOM 1604 CA PRO A 105 4.887 11.296 6.315 1.00 0.00 C ATOM 1605 C PRO A 105 5.099 9.865 5.849 1.00 0.00 C ATOM 1606 O PRO A 105 4.215 9.022 5.999 1.00 0.00 O ATOM 1607 CB PRO A 105 5.555 11.530 7.681 1.00 0.00 C ATOM 1608 CG PRO A 105 4.430 11.665 8.658 1.00 0.00 C ATOM 1609 CD PRO A 105 3.254 12.170 7.869 1.00 0.00 C ATOM 0 HA PRO A 105 5.300 11.938 5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.208 10.698 7.946 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.173 12.428 7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.203 10.707 9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.689 12.358 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.306 11.868 8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.244 13.258 7.805 1.00 0.00 H new ATOM 1617 N PHE A 106 6.260 9.589 5.283 1.00 0.00 N ATOM 1618 CA PHE A 106 6.563 8.258 4.798 1.00 0.00 C ATOM 1619 C PHE A 106 7.897 8.250 4.058 1.00 0.00 C ATOM 1620 O PHE A 106 8.933 7.960 4.652 1.00 0.00 O ATOM 1621 CB PHE A 106 5.438 7.701 3.909 1.00 0.00 C ATOM 1622 CG PHE A 106 4.671 8.717 3.111 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.257 9.904 2.703 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.359 8.462 2.743 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.554 10.820 1.948 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.652 9.376 1.980 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.251 10.555 1.583 1.00 0.00 C ATOM 0 H PHE A 106 7.007 10.270 5.149 1.00 0.00 H new ATOM 0 HA PHE A 106 6.642 7.602 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.871 6.977 3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.736 7.158 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.279 10.115 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.884 7.543 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.024 11.744 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.631 9.167 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.700 11.268 0.988 1.00 0.00 H new ATOM 1637 N ASP A 107 7.876 8.551 2.762 1.00 0.00 N ATOM 1638 CA ASP A 107 9.091 8.553 1.967 1.00 0.00 C ATOM 1639 C ASP A 107 9.837 7.250 2.191 1.00 0.00 C ATOM 1640 O ASP A 107 9.364 6.381 2.909 1.00 0.00 O ATOM 1641 CB ASP A 107 9.973 9.769 2.296 1.00 0.00 C ATOM 1642 CG ASP A 107 10.589 9.711 3.679 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.285 8.720 3.980 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.380 10.662 4.462 1.00 0.00 O ATOM 0 H ASP A 107 7.031 8.795 2.245 1.00 0.00 H new ATOM 0 HA ASP A 107 8.826 8.633 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.769 9.842 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.374 10.676 2.211 1.00 0.00 H new ATOM 1649 N ILE A 108 10.978 7.095 1.568 1.00 0.00 N ATOM 1650 CA ILE A 108 11.730 5.863 1.706 1.00 0.00 C ATOM 1651 C ILE A 108 12.035 5.527 3.152 1.00 0.00 C ATOM 1652 O ILE A 108 11.840 4.394 3.592 1.00 0.00 O ATOM 1653 CB ILE A 108 13.008 5.914 0.850 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.649 5.570 -0.590 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.106 4.988 1.367 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.374 6.241 -1.061 1.00 0.00 C ATOM 0 H ILE A 108 11.408 7.796 0.965 1.00 0.00 H new ATOM 0 HA ILE A 108 11.102 5.053 1.335 1.00 0.00 H new ATOM 0 HB ILE A 108 13.413 6.924 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.470 5.865 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.540 4.489 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.982 5.067 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.376 5.275 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.746 3.959 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.173 5.956 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.543 5.927 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.488 7.323 -0.999 1.00 0.00 H new ATOM 1668 N ASP A 109 12.513 6.499 3.885 1.00 0.00 N ATOM 1669 CA ASP A 109 12.849 6.280 5.280 1.00 0.00 C ATOM 1670 C ASP A 109 11.667 5.706 6.067 1.00 0.00 C ATOM 1671 O ASP A 109 11.784 4.638 6.659 1.00 0.00 O ATOM 1672 CB ASP A 109 13.326 7.580 5.928 1.00 0.00 C ATOM 1673 CG ASP A 109 14.216 7.330 7.129 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.677 7.174 8.245 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.452 7.289 6.954 1.00 0.00 O ATOM 0 H ASP A 109 12.680 7.447 3.548 1.00 0.00 H new ATOM 0 HA ASP A 109 13.656 5.548 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.870 8.172 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.462 8.169 6.235 1.00 0.00 H new ATOM 1680 N GLU A 110 10.542 6.423 6.091 1.00 0.00 N ATOM 1681 CA GLU A 110 9.371 5.979 6.835 1.00 0.00 C ATOM 1682 C GLU A 110 8.531 4.954 6.070 1.00 0.00 C ATOM 1683 O GLU A 110 7.819 4.160 6.684 1.00 0.00 O ATOM 1684 CB GLU A 110 8.481 7.168 7.216 1.00 0.00 C ATOM 1685 CG GLU A 110 9.199 8.337 7.866 1.00 0.00 C ATOM 1686 CD GLU A 110 9.345 8.169 9.365 1.00 0.00 C ATOM 1687 OE1 GLU A 110 9.666 7.047 9.809 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.138 9.161 10.096 1.00 0.00 O ATOM 0 H GLU A 110 10.421 7.311 5.604 1.00 0.00 H new ATOM 0 HA GLU A 110 9.755 5.495 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.978 7.526 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.705 6.816 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.187 8.447 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.651 9.256 7.659 1.00 0.00 H new ATOM 1695 N ALA A 111 8.597 4.965 4.741 1.00 0.00 N ATOM 1696 CA ALA A 111 7.812 4.023 3.959 1.00 0.00 C ATOM 1697 C ALA A 111 8.529 2.684 3.860 1.00 0.00 C ATOM 1698 O ALA A 111 7.950 1.642 4.168 1.00 0.00 O ATOM 1699 CB ALA A 111 7.470 4.583 2.580 1.00 0.00 C ATOM 0 H ALA A 111 9.175 5.604 4.195 1.00 0.00 H new ATOM 0 HA ALA A 111 6.866 3.861 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.883 3.851 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.893 5.501 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.390 4.798 2.036 1.00 0.00 H new ATOM 1705 N VAL A 112 9.799 2.709 3.460 1.00 0.00 N ATOM 1706 CA VAL A 112 10.572 1.479 3.368 1.00 0.00 C ATOM 1707 C VAL A 112 10.675 0.823 4.736 1.00 0.00 C ATOM 1708 O VAL A 112 10.707 -0.399 4.861 1.00 0.00 O ATOM 1709 CB VAL A 112 11.990 1.719 2.825 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.723 0.394 2.671 1.00 0.00 C ATOM 1711 CG2 VAL A 112 11.933 2.464 1.504 1.00 0.00 C ATOM 0 H VAL A 112 10.305 3.555 3.199 1.00 0.00 H new ATOM 0 HA VAL A 112 10.047 0.827 2.670 1.00 0.00 H new ATOM 0 HB VAL A 112 12.540 2.335 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.726 0.576 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.791 -0.099 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.178 -0.245 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.945 2.626 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.371 1.876 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.442 3.426 1.650 1.00 0.00 H new ATOM 1721 N ALA A 113 10.712 1.655 5.762 1.00 0.00 N ATOM 1722 CA ALA A 113 10.790 1.174 7.131 1.00 0.00 C ATOM 1723 C ALA A 113 9.598 0.285 7.444 1.00 0.00 C ATOM 1724 O ALA A 113 9.738 -0.821 7.964 1.00 0.00 O ATOM 1725 CB ALA A 113 10.803 2.352 8.088 1.00 0.00 C ATOM 0 H ALA A 113 10.689 2.671 5.673 1.00 0.00 H new ATOM 0 HA ALA A 113 11.707 0.597 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.862 1.987 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.667 2.982 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.890 2.934 7.961 1.00 0.00 H new ATOM 1731 N LEU A 114 8.424 0.812 7.137 1.00 0.00 N ATOM 1732 CA LEU A 114 7.171 0.125 7.387 1.00 0.00 C ATOM 1733 C LEU A 114 6.893 -0.973 6.360 1.00 0.00 C ATOM 1734 O LEU A 114 6.103 -1.880 6.623 1.00 0.00 O ATOM 1735 CB LEU A 114 6.039 1.153 7.393 1.00 0.00 C ATOM 1736 CG LEU A 114 4.629 0.590 7.547 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.267 0.432 9.016 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.633 1.497 6.852 1.00 0.00 C ATOM 0 H LEU A 114 8.315 1.730 6.707 1.00 0.00 H new ATOM 0 HA LEU A 114 7.238 -0.369 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.219 1.858 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.084 1.720 6.463 1.00 0.00 H new ATOM 0 HG LEU A 114 4.596 -0.396 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.258 0.029 9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.971 -0.250 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.313 1.403 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.629 1.089 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.674 2.491 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.880 1.564 5.792 1.00 0.00 H new ATOM 1750 N VAL A 115 7.525 -0.896 5.193 1.00 0.00 N ATOM 1751 CA VAL A 115 7.299 -1.902 4.157 1.00 0.00 C ATOM 1752 C VAL A 115 8.066 -3.193 4.444 1.00 0.00 C ATOM 1753 O VAL A 115 7.502 -4.286 4.366 1.00 0.00 O ATOM 1754 CB VAL A 115 7.649 -1.385 2.738 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.146 -1.443 2.468 1.00 0.00 C ATOM 1756 CG2 VAL A 115 6.891 -2.182 1.684 1.00 0.00 C ATOM 0 H VAL A 115 8.187 -0.162 4.942 1.00 0.00 H new ATOM 0 HA VAL A 115 6.231 -2.117 4.180 1.00 0.00 H new ATOM 0 HB VAL A 115 7.345 -0.340 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.349 -1.072 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.671 -0.825 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.491 -2.474 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.146 -1.809 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.165 -3.234 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.819 -2.074 1.848 1.00 0.00 H new ATOM 1766 N GLU A 116 9.345 -3.067 4.780 1.00 0.00 N ATOM 1767 CA GLU A 116 10.168 -4.232 5.077 1.00 0.00 C ATOM 1768 C GLU A 116 9.629 -4.972 6.297 1.00 0.00 C ATOM 1769 O GLU A 116 9.558 -6.201 6.309 1.00 0.00 O ATOM 1770 CB GLU A 116 11.620 -3.813 5.308 1.00 0.00 C ATOM 1771 CG GLU A 116 12.316 -3.332 4.044 1.00 0.00 C ATOM 1772 CD GLU A 116 13.786 -3.032 4.262 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.096 -2.138 5.077 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.628 -3.690 3.615 1.00 0.00 O ATOM 0 H GLU A 116 9.832 -2.174 4.853 1.00 0.00 H new ATOM 0 HA GLU A 116 10.132 -4.906 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.647 -3.019 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.173 -4.657 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.216 -4.091 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.817 -2.435 3.679 1.00 0.00 H new ATOM 1781 N ARG A 117 9.238 -4.214 7.317 1.00 0.00 N ATOM 1782 CA ARG A 117 8.692 -4.800 8.534 1.00 0.00 C ATOM 1783 C ARG A 117 7.351 -5.472 8.252 1.00 0.00 C ATOM 1784 O ARG A 117 6.937 -6.381 8.971 1.00 0.00 O ATOM 1785 CB ARG A 117 8.526 -3.729 9.615 1.00 0.00 C ATOM 1786 CG ARG A 117 9.818 -3.004 9.954 1.00 0.00 C ATOM 1787 CD ARG A 117 9.556 -1.761 10.788 1.00 0.00 C ATOM 1788 NE ARG A 117 10.780 -1.246 11.399 1.00 0.00 N ATOM 1789 CZ ARG A 117 10.889 -0.030 11.929 1.00 0.00 C ATOM 1790 NH1 ARG A 117 9.852 0.800 11.924 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.038 0.358 12.464 1.00 0.00 N ATOM 0 H ARG A 117 9.289 -3.195 7.324 1.00 0.00 H new ATOM 0 HA ARG A 117 9.391 -5.555 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.786 -3.001 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.132 -4.194 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.481 -3.676 10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.332 -2.725 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.112 -0.989 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.831 -1.993 11.568 1.00 0.00 H new ATOM 0 HE ARG A 117 11.599 -1.854 11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.966 0.507 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.942 1.731 12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.838 -0.275 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.122 1.290 12.870 1.00 0.00 H new ATOM 1805 N ALA A 118 6.682 -5.016 7.198 1.00 0.00 N ATOM 1806 CA ALA A 118 5.392 -5.568 6.812 1.00 0.00 C ATOM 1807 C ALA A 118 5.555 -6.949 6.190 1.00 0.00 C ATOM 1808 O ALA A 118 4.931 -7.916 6.627 1.00 0.00 O ATOM 1809 CB ALA A 118 4.685 -4.633 5.843 1.00 0.00 C ATOM 0 H ALA A 118 7.015 -4.263 6.595 1.00 0.00 H new ATOM 0 HA ALA A 118 4.783 -5.669 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.722 -5.059 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.529 -3.665 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.297 -4.503 4.950 1.00 0.00 H new ATOM 1815 N ILE A 119 6.398 -7.032 5.167 1.00 0.00 N ATOM 1816 CA ILE A 119 6.647 -8.293 4.483 1.00 0.00 C ATOM 1817 C ILE A 119 7.233 -9.324 5.437 1.00 0.00 C ATOM 1818 O ILE A 119 7.002 -10.525 5.296 1.00 0.00 O ATOM 1819 CB ILE A 119 7.607 -8.105 3.294 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.140 -6.953 2.402 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.717 -9.387 2.485 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.279 -6.133 1.847 1.00 0.00 C ATOM 0 H ILE A 119 6.920 -6.240 4.794 1.00 0.00 H new ATOM 0 HA ILE A 119 5.686 -8.649 4.111 1.00 0.00 H new ATOM 0 HB ILE A 119 8.593 -7.860 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.554 -7.356 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.478 -6.303 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.400 -9.233 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.096 -10.187 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.734 -9.662 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.881 -5.333 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.851 -5.702 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.928 -6.771 1.248 1.00 0.00 H new ATOM 1834 N SER A 120 7.992 -8.841 6.409 1.00 0.00 N ATOM 1835 CA SER A 120 8.620 -9.706 7.399 1.00 0.00 C ATOM 1836 C SER A 120 7.580 -10.304 8.341 1.00 0.00 C ATOM 1837 O SER A 120 7.653 -11.481 8.698 1.00 0.00 O ATOM 1838 CB SER A 120 9.665 -8.926 8.199 1.00 0.00 C ATOM 1839 OG SER A 120 9.995 -9.596 9.404 1.00 0.00 O ATOM 0 H SER A 120 8.189 -7.848 6.534 1.00 0.00 H new ATOM 0 HA SER A 120 9.113 -10.522 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.563 -8.793 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.284 -7.930 8.426 1.00 0.00 H new ATOM 0 HG SER A 120 10.666 -9.076 9.894 1.00 0.00 H new ATOM 1845 N HIS A 121 6.612 -9.486 8.745 1.00 0.00 N ATOM 1846 CA HIS A 121 5.559 -9.934 9.649 1.00 0.00 C ATOM 1847 C HIS A 121 4.715 -11.025 9.006 1.00 0.00 C ATOM 1848 O HIS A 121 4.365 -12.018 9.646 1.00 0.00 O ATOM 1849 CB HIS A 121 4.669 -8.758 10.053 1.00 0.00 C ATOM 1850 CG HIS A 121 5.186 -7.992 11.230 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.525 -7.903 11.542 1.00 0.00 N ATOM 1852 CD2 HIS A 121 4.533 -7.274 12.176 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.675 -7.166 12.627 1.00 0.00 C ATOM 1854 NE2 HIS A 121 5.481 -6.772 13.032 1.00 0.00 N ATOM 0 H HIS A 121 6.536 -8.510 8.460 1.00 0.00 H new ATOM 0 HA HIS A 121 6.034 -10.345 10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.569 -8.081 9.205 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.671 -9.131 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.466 -7.125 12.244 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.614 -6.926 13.103 1.00 0.00 H new ATOM 0 HE2 HIS A 121 5.294 -6.189 13.848 1.00 0.00 H new ATOM 1863 N TYR A 122 4.394 -10.828 7.740 1.00 0.00 N ATOM 1864 CA TYR A 122 3.590 -11.783 6.994 1.00 0.00 C ATOM 1865 C TYR A 122 4.419 -12.998 6.589 1.00 0.00 C ATOM 1866 O TYR A 122 4.040 -14.139 6.854 1.00 0.00 O ATOM 1867 CB TYR A 122 2.992 -11.120 5.752 1.00 0.00 C ATOM 1868 CG TYR A 122 1.625 -10.516 5.988 1.00 0.00 C ATOM 1869 CD1 TYR A 122 0.592 -11.279 6.518 1.00 0.00 C ATOM 1870 CD2 TYR A 122 1.369 -9.186 5.681 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.658 -10.732 6.736 1.00 0.00 C ATOM 1872 CE2 TYR A 122 0.121 -8.632 5.896 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.889 -9.408 6.423 1.00 0.00 C ATOM 1874 OH TYR A 122 -2.133 -8.857 6.637 1.00 0.00 O ATOM 0 H TYR A 122 4.680 -10.009 7.203 1.00 0.00 H new ATOM 0 HA TYR A 122 2.781 -12.120 7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.670 -10.340 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 122 2.921 -11.859 4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.769 -12.316 6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.158 -8.575 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.451 -11.338 7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.062 -7.596 5.652 1.00 0.00 H new ATOM 0 HH TYR A 122 -2.543 -8.631 5.776 1.00 0.00 H new ATOM 1884 N GLN A 123 5.555 -12.744 5.945 1.00 0.00 N ATOM 1885 CA GLN A 123 6.439 -13.817 5.503 1.00 0.00 C ATOM 1886 C GLN A 123 5.716 -14.756 4.542 1.00 0.00 C ATOM 1887 O GLN A 123 4.528 -14.586 4.269 1.00 0.00 O ATOM 1888 CB GLN A 123 6.964 -14.601 6.708 1.00 0.00 C ATOM 1889 CG GLN A 123 8.334 -15.221 6.481 1.00 0.00 C ATOM 1890 CD GLN A 123 9.201 -15.195 7.724 1.00 0.00 C ATOM 1891 OE1 GLN A 123 10.290 -14.623 7.723 1.00 0.00 O ATOM 1892 NE2 GLN A 123 8.721 -15.818 8.794 1.00 0.00 N ATOM 0 H GLN A 123 5.884 -11.806 5.718 1.00 0.00 H new ATOM 0 HA GLN A 123 7.281 -13.369 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.014 -13.936 7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.254 -15.390 6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.211 -16.252 6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.841 -14.687 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.813 -16.280 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.261 -15.835 9.659 1.00 0.00 H new ATOM 1901 N GLU A 124 6.442 -15.746 4.031 1.00 0.00 N ATOM 1902 CA GLU A 124 5.869 -16.712 3.100 1.00 0.00 C ATOM 1903 C GLU A 124 5.370 -16.019 1.836 1.00 0.00 C ATOM 1904 O GLU A 124 4.210 -15.617 1.752 1.00 0.00 O ATOM 1905 CB GLU A 124 4.722 -17.475 3.765 1.00 0.00 C ATOM 1906 CG GLU A 124 4.734 -18.967 3.471 1.00 0.00 C ATOM 1907 CD GLU A 124 3.540 -19.409 2.647 1.00 0.00 C ATOM 1908 OE1 GLU A 124 2.446 -19.576 3.228 1.00 0.00 O ATOM 1909 OE2 GLU A 124 3.698 -19.589 1.421 1.00 0.00 O ATOM 0 H GLU A 124 7.427 -15.900 4.246 1.00 0.00 H new ATOM 0 HA GLU A 124 6.651 -17.418 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.774 -17.325 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.774 -17.054 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.651 -19.221 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.746 -19.519 4.411 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.592 10.802 0.078 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.974 11.221 -0.267 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.632 11.809 -0.438 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.456 10.693 1.558 1.00 0.00 F