USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -4.51! C(o=-5.2!,f=-5.2!) USER MOD Set 1.2: A 63 GLN : amide:sc= -1.53 K(o=-5.2,f=-5.8) USER MOD Set 1.3: A 70 TYR OH : rot 18:sc= 0.786 USER MOD Set 2.1: A 9 THR OG1 : rot -110:sc= 0.23 USER MOD Set 2.2: A 41 SER OG : rot -110:sc= -1.32 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.255) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -30:sc= 0.0399 USER MOD Single : A 8 SER OG : rot 33:sc= 0.373 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.297 USER MOD Single : A 14 SER OG : rot -113:sc= 0.0778 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.1!) USER MOD Single : A 21 GLN : amide:sc= -0.559 X(o=-0.56,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 96:sc= 1.3 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= -0.894 (180deg=-1.18) USER MOD Single : A 34 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 35 TYR OH : rot 2:sc= -2.81! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -170:sc= -0.466 (180deg=-0.551) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.4 K(o=-4.4,f=-3.1!) USER MOD Single : A 69 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.39) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 87 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc=-0.00449 (180deg=-0.0836) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.098 3.755 -5.062 1.00 0.00 N ATOM 2 CA MET A 1 18.592 2.778 -4.062 1.00 0.00 C ATOM 3 C MET A 1 17.098 2.531 -4.239 1.00 0.00 C ATOM 4 O MET A 1 16.341 3.447 -4.564 1.00 0.00 O ATOM 5 CB MET A 1 18.875 3.324 -2.661 1.00 0.00 C ATOM 6 CG MET A 1 19.054 2.240 -1.611 1.00 0.00 C ATOM 7 SD MET A 1 18.321 2.682 -0.024 1.00 0.00 S ATOM 8 CE MET A 1 19.109 4.260 0.286 1.00 0.00 C ATOM 0 H1 MET A 1 20.117 3.903 -4.917 1.00 0.00 H new ATOM 0 H2 MET A 1 18.934 3.387 -6.021 1.00 0.00 H new ATOM 0 H3 MET A 1 18.597 4.659 -4.948 1.00 0.00 H new ATOM 0 HA MET A 1 19.101 1.825 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.775 3.938 -2.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.055 3.976 -2.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.604 1.314 -1.970 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.118 2.045 -1.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.957 4.544 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.177 4.179 0.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.673 5.018 -0.364 1.00 0.00 H new ATOM 20 N SER A 2 16.678 1.289 -4.023 1.00 0.00 N ATOM 21 CA SER A 2 15.273 0.922 -4.158 1.00 0.00 C ATOM 22 C SER A 2 14.489 1.302 -2.906 1.00 0.00 C ATOM 23 O SER A 2 15.027 1.296 -1.799 1.00 0.00 O ATOM 24 CB SER A 2 15.139 -0.579 -4.422 1.00 0.00 C ATOM 25 OG SER A 2 15.803 -1.334 -3.423 1.00 0.00 O ATOM 0 H SER A 2 17.291 0.519 -3.754 1.00 0.00 H new ATOM 0 HA SER A 2 14.860 1.471 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.085 -0.854 -4.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.556 -0.818 -5.400 1.00 0.00 H new ATOM 0 HG SER A 2 15.701 -2.290 -3.614 1.00 0.00 H new ATOM 31 N GLY A 3 13.215 1.633 -3.090 1.00 0.00 N ATOM 32 CA GLY A 3 12.379 2.011 -1.966 1.00 0.00 C ATOM 33 C GLY A 3 10.958 1.500 -2.102 1.00 0.00 C ATOM 34 O GLY A 3 10.576 0.978 -3.150 1.00 0.00 O ATOM 0 H GLY A 3 12.747 1.646 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.815 1.622 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.364 3.097 -1.877 1.00 0.00 H new ATOM 38 N LEU A 4 10.174 1.649 -1.040 1.00 0.00 N ATOM 39 CA LEU A 4 8.787 1.199 -1.043 1.00 0.00 C ATOM 40 C LEU A 4 7.989 1.899 0.051 1.00 0.00 C ATOM 41 O LEU A 4 8.026 1.495 1.213 1.00 0.00 O ATOM 42 CB LEU A 4 8.720 -0.318 -0.849 1.00 0.00 C ATOM 43 CG LEU A 4 7.447 -0.983 -1.375 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.218 -0.395 -0.699 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.351 -0.831 -2.885 1.00 0.00 C ATOM 0 H LEU A 4 10.476 2.078 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 4 8.349 1.453 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.579 -0.770 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.813 -0.537 0.215 1.00 0.00 H new ATOM 0 HG LEU A 4 7.492 -2.046 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.322 -0.881 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.282 -0.557 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.168 0.675 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.439 -1.310 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.330 0.228 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.215 -1.302 -3.354 1.00 0.00 H new ATOM 57 N ARG A 5 7.272 2.952 -0.326 1.00 0.00 N ATOM 58 CA ARG A 5 6.470 3.708 0.630 1.00 0.00 C ATOM 59 C ARG A 5 5.004 3.293 0.566 1.00 0.00 C ATOM 60 O ARG A 5 4.304 3.594 -0.401 1.00 0.00 O ATOM 61 CB ARG A 5 6.601 5.210 0.364 1.00 0.00 C ATOM 62 CG ARG A 5 6.019 5.648 -0.969 1.00 0.00 C ATOM 63 CD ARG A 5 6.546 7.012 -1.385 1.00 0.00 C ATOM 64 NE ARG A 5 7.943 6.953 -1.808 1.00 0.00 N ATOM 65 CZ ARG A 5 8.610 7.990 -2.310 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.011 9.166 -2.455 1.00 0.00 N ATOM 67 NH2 ARG A 5 9.879 7.851 -2.669 1.00 0.00 N ATOM 0 H ARG A 5 7.229 3.301 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 5 6.844 3.489 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.103 5.756 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.655 5.485 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.266 4.912 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.932 5.683 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.937 7.403 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.449 7.708 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 5 8.436 6.065 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.035 9.278 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.527 9.957 -2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.344 6.950 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.390 8.645 -3.054 1.00 0.00 H new ATOM 81 N VAL A 6 4.544 2.605 1.606 1.00 0.00 N ATOM 82 CA VAL A 6 3.160 2.154 1.673 1.00 0.00 C ATOM 83 C VAL A 6 2.294 3.171 2.406 1.00 0.00 C ATOM 84 O VAL A 6 2.598 3.562 3.533 1.00 0.00 O ATOM 85 CB VAL A 6 3.045 0.791 2.380 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.623 0.259 2.289 1.00 0.00 C ATOM 87 CG2 VAL A 6 4.032 -0.203 1.786 1.00 0.00 C ATOM 0 H VAL A 6 5.111 2.348 2.414 1.00 0.00 H new ATOM 0 HA VAL A 6 2.808 2.049 0.647 1.00 0.00 H new ATOM 0 HB VAL A 6 3.290 0.928 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.562 -0.705 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.940 0.962 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.346 0.138 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.937 -1.161 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.820 -0.336 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.047 0.175 1.909 1.00 0.00 H new ATOM 97 N TYR A 7 1.217 3.602 1.759 1.00 0.00 N ATOM 98 CA TYR A 7 0.312 4.579 2.352 1.00 0.00 C ATOM 99 C TYR A 7 -0.692 3.908 3.279 1.00 0.00 C ATOM 100 O TYR A 7 -1.152 2.797 3.017 1.00 0.00 O ATOM 101 CB TYR A 7 -0.424 5.354 1.258 1.00 0.00 C ATOM 102 CG TYR A 7 0.342 6.554 0.746 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.210 7.796 1.353 1.00 0.00 C ATOM 104 CD2 TYR A 7 1.196 6.443 -0.344 1.00 0.00 C ATOM 105 CE1 TYR A 7 0.908 8.895 0.888 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.897 7.537 -0.815 1.00 0.00 C ATOM 107 CZ TYR A 7 1.750 8.760 -0.195 1.00 0.00 C ATOM 108 OH TYR A 7 2.446 9.852 -0.661 1.00 0.00 O ATOM 0 H TYR A 7 0.950 3.291 0.825 1.00 0.00 H new ATOM 0 HA TYR A 7 0.910 5.274 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.630 4.682 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.387 5.686 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.449 7.905 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.314 5.486 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.794 9.854 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.556 7.435 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 7 1.930 10.667 -0.488 1.00 0.00 H new ATOM 118 N SER A 8 -1.028 4.595 4.366 1.00 0.00 N ATOM 119 CA SER A 8 -1.980 4.071 5.338 1.00 0.00 C ATOM 120 C SER A 8 -2.632 5.202 6.125 1.00 0.00 C ATOM 121 O SER A 8 -2.278 6.370 5.962 1.00 0.00 O ATOM 122 CB SER A 8 -1.283 3.103 6.296 1.00 0.00 C ATOM 123 OG SER A 8 -1.316 1.778 5.797 1.00 0.00 O ATOM 0 H SER A 8 -0.655 5.516 4.596 1.00 0.00 H new ATOM 0 HA SER A 8 -2.758 3.535 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.249 3.414 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.768 3.140 7.271 1.00 0.00 H new ATOM 0 HG SER A 8 -1.274 1.796 4.818 1.00 0.00 H new ATOM 129 N THR A 9 -3.586 4.848 6.979 1.00 0.00 N ATOM 130 CA THR A 9 -4.288 5.834 7.793 1.00 0.00 C ATOM 131 C THR A 9 -4.217 5.464 9.271 1.00 0.00 C ATOM 132 O THR A 9 -4.809 4.475 9.703 1.00 0.00 O ATOM 133 CB THR A 9 -5.748 5.946 7.352 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.450 6.865 8.170 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.490 4.628 7.399 1.00 0.00 C ATOM 0 H THR A 9 -3.891 3.886 7.126 1.00 0.00 H new ATOM 0 HA THR A 9 -3.801 6.799 7.653 1.00 0.00 H new ATOM 0 HB THR A 9 -5.712 6.287 6.317 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.089 6.380 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.520 4.778 7.074 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.002 3.912 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.484 4.243 8.419 1.00 0.00 H new ATOM 143 N SER A 10 -3.487 6.265 10.042 1.00 0.00 N ATOM 144 CA SER A 10 -3.337 6.022 11.473 1.00 0.00 C ATOM 145 C SER A 10 -4.695 5.947 12.163 1.00 0.00 C ATOM 146 O SER A 10 -4.886 5.169 13.098 1.00 0.00 O ATOM 147 CB SER A 10 -2.488 7.123 12.112 1.00 0.00 C ATOM 148 OG SER A 10 -1.697 6.609 13.169 1.00 0.00 O ATOM 0 H SER A 10 -2.990 7.088 9.700 1.00 0.00 H new ATOM 0 HA SER A 10 -2.835 5.063 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.843 7.574 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.137 7.913 12.490 1.00 0.00 H new ATOM 0 HG SER A 10 -1.163 7.332 13.559 1.00 0.00 H new ATOM 154 N VAL A 11 -5.637 6.761 11.697 1.00 0.00 N ATOM 155 CA VAL A 11 -6.977 6.786 12.270 1.00 0.00 C ATOM 156 C VAL A 11 -8.019 6.344 11.248 1.00 0.00 C ATOM 157 O VAL A 11 -8.339 7.080 10.315 1.00 0.00 O ATOM 158 CB VAL A 11 -7.343 8.191 12.783 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.655 8.155 13.552 1.00 0.00 C ATOM 160 CG2 VAL A 11 -6.225 8.752 13.649 1.00 0.00 C ATOM 0 H VAL A 11 -5.497 7.412 10.924 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.975 6.090 13.109 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.471 8.849 11.923 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.897 9.157 13.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.451 7.800 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.559 7.482 14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.502 9.745 14.002 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.062 8.095 14.504 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.309 8.818 13.062 1.00 0.00 H new ATOM 170 N THR A 12 -8.546 5.138 11.433 1.00 0.00 N ATOM 171 CA THR A 12 -9.553 4.597 10.527 1.00 0.00 C ATOM 172 C THR A 12 -10.954 5.011 10.964 1.00 0.00 C ATOM 173 O THR A 12 -11.430 4.608 12.025 1.00 0.00 O ATOM 174 CB THR A 12 -9.453 3.072 10.472 1.00 0.00 C ATOM 175 OG1 THR A 12 -9.457 2.522 11.777 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.207 2.579 9.770 1.00 0.00 C ATOM 0 H THR A 12 -8.293 4.517 12.202 1.00 0.00 H new ATOM 0 HA THR A 12 -9.367 5.002 9.532 1.00 0.00 H new ATOM 0 HB THR A 12 -10.324 2.746 9.903 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.091 3.016 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.199 1.489 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.199 2.945 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.325 2.947 10.294 1.00 0.00 H new ATOM 184 N GLY A 13 -11.611 5.820 10.138 1.00 0.00 N ATOM 185 CA GLY A 13 -12.951 6.276 10.457 1.00 0.00 C ATOM 186 C GLY A 13 -14.000 5.210 10.213 1.00 0.00 C ATOM 187 O GLY A 13 -15.010 5.152 10.915 1.00 0.00 O ATOM 0 H GLY A 13 -11.239 6.167 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.987 6.584 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.185 7.155 9.857 1.00 0.00 H new ATOM 191 N SER A 14 -13.763 4.365 9.215 1.00 0.00 N ATOM 192 CA SER A 14 -14.698 3.297 8.880 1.00 0.00 C ATOM 193 C SER A 14 -14.330 2.004 9.601 1.00 0.00 C ATOM 194 O SER A 14 -13.480 1.997 10.492 1.00 0.00 O ATOM 195 CB SER A 14 -14.720 3.066 7.368 1.00 0.00 C ATOM 196 OG SER A 14 -16.048 2.936 6.891 1.00 0.00 O ATOM 0 H SER A 14 -12.932 4.399 8.624 1.00 0.00 H new ATOM 0 HA SER A 14 -15.692 3.602 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.229 3.898 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.154 2.167 7.126 1.00 0.00 H new ATOM 0 HG SER A 14 -16.193 2.020 6.573 1.00 0.00 H new ATOM 202 N ARG A 15 -14.977 0.911 9.208 1.00 0.00 N ATOM 203 CA ARG A 15 -14.721 -0.394 9.815 1.00 0.00 C ATOM 204 C ARG A 15 -14.060 -1.345 8.833 1.00 0.00 C ATOM 205 O ARG A 15 -13.551 -2.402 9.205 1.00 0.00 O ATOM 206 CB ARG A 15 -16.023 -1.001 10.322 1.00 0.00 C ATOM 207 CG ARG A 15 -15.824 -2.193 11.244 1.00 0.00 C ATOM 208 CD ARG A 15 -17.011 -3.143 11.197 1.00 0.00 C ATOM 209 NE ARG A 15 -17.732 -3.184 12.467 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.790 -3.959 12.695 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.254 -4.758 11.742 1.00 0.00 N ATOM 212 NH2 ARG A 15 -19.386 -3.935 13.880 1.00 0.00 N ATOM 0 H ARG A 15 -15.683 0.902 8.472 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.039 -0.242 10.652 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.589 -0.234 10.851 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.626 -1.310 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.918 -2.728 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.678 -1.843 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.692 -2.833 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.663 -4.145 10.945 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.405 -2.583 13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.799 -4.780 10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.065 -5.350 11.923 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.034 -3.323 14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.197 -4.529 14.055 1.00 0.00 H new ATOM 226 N GLU A 16 -14.076 -0.946 7.586 1.00 0.00 N ATOM 227 CA GLU A 16 -13.483 -1.726 6.508 1.00 0.00 C ATOM 228 C GLU A 16 -12.110 -1.176 6.148 1.00 0.00 C ATOM 229 O GLU A 16 -11.194 -1.928 5.816 1.00 0.00 O ATOM 230 CB GLU A 16 -14.392 -1.714 5.278 1.00 0.00 C ATOM 231 CG GLU A 16 -15.859 -1.944 5.602 1.00 0.00 C ATOM 232 CD GLU A 16 -16.759 -0.859 5.043 1.00 0.00 C ATOM 233 OE1 GLU A 16 -17.163 -0.971 3.866 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.059 0.103 5.781 1.00 0.00 O ATOM 0 H GLU A 16 -14.500 -0.070 7.280 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.370 -2.755 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.287 -0.756 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.057 -2.483 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.168 -2.909 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.985 -1.993 6.684 1.00 0.00 H new ATOM 241 N ILE A 17 -11.974 0.146 6.224 1.00 0.00 N ATOM 242 CA ILE A 17 -10.712 0.810 5.914 1.00 0.00 C ATOM 243 C ILE A 17 -9.553 0.136 6.641 1.00 0.00 C ATOM 244 O ILE A 17 -8.523 -0.175 6.042 1.00 0.00 O ATOM 245 CB ILE A 17 -10.759 2.303 6.302 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.883 3.014 5.545 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.421 2.975 6.022 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.666 3.066 4.049 1.00 0.00 C ATOM 0 H ILE A 17 -12.725 0.779 6.498 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.557 0.729 4.838 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.959 2.374 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.826 2.506 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.980 4.031 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.476 4.027 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.639 2.485 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.189 2.895 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.501 3.584 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.740 3.600 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.600 2.052 3.656 1.00 0.00 H new ATOM 260 N LYS A 18 -9.737 -0.091 7.934 1.00 0.00 N ATOM 261 CA LYS A 18 -8.718 -0.734 8.755 1.00 0.00 C ATOM 262 C LYS A 18 -8.323 -2.086 8.172 1.00 0.00 C ATOM 263 O LYS A 18 -7.144 -2.359 7.945 1.00 0.00 O ATOM 264 CB LYS A 18 -9.222 -0.923 10.188 1.00 0.00 C ATOM 265 CG LYS A 18 -10.632 -1.487 10.283 1.00 0.00 C ATOM 266 CD LYS A 18 -11.225 -1.273 11.666 1.00 0.00 C ATOM 267 CE LYS A 18 -10.782 -2.357 12.635 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.804 -3.431 12.772 1.00 0.00 N ATOM 0 H LYS A 18 -10.586 0.161 8.440 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.842 -0.085 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.540 -1.589 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.191 0.038 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.267 -1.010 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.615 -2.553 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.922 -0.297 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.313 -1.265 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.844 -2.791 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.588 -1.914 13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.464 -4.151 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.692 -3.022 13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.971 -3.872 11.845 1.00 0.00 H new ATOM 282 N SER A 19 -9.321 -2.929 7.938 1.00 0.00 N ATOM 283 CA SER A 19 -9.095 -4.262 7.386 1.00 0.00 C ATOM 284 C SER A 19 -8.169 -4.214 6.172 1.00 0.00 C ATOM 285 O SER A 19 -7.391 -5.138 5.938 1.00 0.00 O ATOM 286 CB SER A 19 -10.427 -4.905 6.996 1.00 0.00 C ATOM 287 OG SER A 19 -10.228 -6.190 6.433 1.00 0.00 O ATOM 0 H SER A 19 -10.301 -2.713 8.123 1.00 0.00 H new ATOM 0 HA SER A 19 -8.614 -4.863 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.067 -4.985 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.946 -4.268 6.280 1.00 0.00 H new ATOM 0 HG SER A 19 -11.095 -6.580 6.194 1.00 0.00 H new ATOM 293 N GLN A 20 -8.258 -3.134 5.402 1.00 0.00 N ATOM 294 CA GLN A 20 -7.426 -2.975 4.214 1.00 0.00 C ATOM 295 C GLN A 20 -5.961 -2.777 4.594 1.00 0.00 C ATOM 296 O GLN A 20 -5.118 -3.631 4.317 1.00 0.00 O ATOM 297 CB GLN A 20 -7.910 -1.789 3.376 1.00 0.00 C ATOM 298 CG GLN A 20 -9.410 -1.786 3.128 1.00 0.00 C ATOM 299 CD GLN A 20 -9.917 -3.108 2.586 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.162 -3.882 1.997 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.203 -3.374 2.783 1.00 0.00 N ATOM 0 H GLN A 20 -8.896 -2.358 5.579 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.510 -3.887 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.632 -0.863 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.392 -1.798 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.928 -1.558 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.656 -0.991 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.793 -2.704 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.601 -4.249 2.441 1.00 0.00 H new ATOM 310 N GLN A 21 -5.665 -1.646 5.226 1.00 0.00 N ATOM 311 CA GLN A 21 -4.301 -1.337 5.640 1.00 0.00 C ATOM 312 C GLN A 21 -3.777 -2.380 6.622 1.00 0.00 C ATOM 313 O GLN A 21 -2.577 -2.647 6.677 1.00 0.00 O ATOM 314 CB GLN A 21 -4.241 0.054 6.276 1.00 0.00 C ATOM 315 CG GLN A 21 -5.324 0.296 7.315 1.00 0.00 C ATOM 316 CD GLN A 21 -4.763 0.480 8.712 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.928 -0.303 9.166 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.220 1.518 9.402 1.00 0.00 N ATOM 0 H GLN A 21 -6.351 -0.929 5.463 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.669 -1.352 4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.265 0.189 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.327 0.807 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.896 1.181 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.017 -0.545 7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.912 2.142 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.879 1.692 10.347 1.00 0.00 H new ATOM 327 N SER A 22 -4.684 -2.966 7.397 1.00 0.00 N ATOM 328 CA SER A 22 -4.312 -3.980 8.377 1.00 0.00 C ATOM 329 C SER A 22 -3.816 -5.248 7.688 1.00 0.00 C ATOM 330 O SER A 22 -2.946 -5.948 8.206 1.00 0.00 O ATOM 331 CB SER A 22 -5.502 -4.308 9.280 1.00 0.00 C ATOM 332 OG SER A 22 -5.152 -5.275 10.254 1.00 0.00 O ATOM 0 H SER A 22 -5.682 -2.756 7.365 1.00 0.00 H new ATOM 0 HA SER A 22 -3.502 -3.580 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.849 -3.400 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.330 -4.679 8.676 1.00 0.00 H new ATOM 0 HG SER A 22 -5.929 -5.466 10.819 1.00 0.00 H new ATOM 338 N GLU A 23 -4.377 -5.538 6.519 1.00 0.00 N ATOM 339 CA GLU A 23 -3.992 -6.723 5.760 1.00 0.00 C ATOM 340 C GLU A 23 -2.623 -6.537 5.114 1.00 0.00 C ATOM 341 O GLU A 23 -1.746 -7.392 5.237 1.00 0.00 O ATOM 342 CB GLU A 23 -5.038 -7.028 4.686 1.00 0.00 C ATOM 343 CG GLU A 23 -5.259 -8.514 4.458 1.00 0.00 C ATOM 344 CD GLU A 23 -6.513 -9.027 5.139 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.422 -9.449 6.311 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.586 -9.009 4.499 1.00 0.00 O ATOM 0 H GLU A 23 -5.099 -4.970 6.077 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.935 -7.563 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.984 -6.568 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.729 -6.567 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.326 -8.708 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.396 -9.067 4.829 1.00 0.00 H new ATOM 353 N VAL A 24 -2.447 -5.415 4.424 1.00 0.00 N ATOM 354 CA VAL A 24 -1.186 -5.117 3.756 1.00 0.00 C ATOM 355 C VAL A 24 -0.028 -5.092 4.749 1.00 0.00 C ATOM 356 O VAL A 24 0.975 -5.782 4.566 1.00 0.00 O ATOM 357 CB VAL A 24 -1.244 -3.765 3.021 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.007 -3.571 2.158 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.510 -3.666 2.183 1.00 0.00 C ATOM 0 H VAL A 24 -3.163 -4.697 4.313 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.021 -5.912 3.028 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.266 -2.969 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.067 -2.610 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.883 -3.592 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.051 -4.371 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.533 -2.704 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.522 -4.469 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.383 -3.754 2.830 1.00 0.00 H new ATOM 369 N THR A 25 -0.174 -4.293 5.801 1.00 0.00 N ATOM 370 CA THR A 25 0.859 -4.178 6.823 1.00 0.00 C ATOM 371 C THR A 25 1.121 -5.525 7.490 1.00 0.00 C ATOM 372 O THR A 25 2.235 -5.803 7.933 1.00 0.00 O ATOM 373 CB THR A 25 0.451 -3.146 7.876 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.150 -2.018 7.266 1.00 0.00 O ATOM 375 CG2 THR A 25 1.611 -2.652 8.712 1.00 0.00 C ATOM 0 H THR A 25 -0.998 -3.716 5.968 1.00 0.00 H new ATOM 0 HA THR A 25 1.778 -3.850 6.338 1.00 0.00 H new ATOM 0 HB THR A 25 -0.252 -3.663 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.125 -2.114 7.289 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.252 -1.923 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.066 -3.493 9.236 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.353 -2.184 8.065 1.00 0.00 H new ATOM 383 N ARG A 26 0.088 -6.358 7.558 1.00 0.00 N ATOM 384 CA ARG A 26 0.207 -7.676 8.172 1.00 0.00 C ATOM 385 C ARG A 26 1.022 -8.617 7.290 1.00 0.00 C ATOM 386 O ARG A 26 1.955 -9.270 7.759 1.00 0.00 O ATOM 387 CB ARG A 26 -1.179 -8.270 8.426 1.00 0.00 C ATOM 388 CG ARG A 26 -1.751 -7.915 9.789 1.00 0.00 C ATOM 389 CD ARG A 26 -3.166 -8.446 9.955 1.00 0.00 C ATOM 390 NE ARG A 26 -3.591 -8.445 11.353 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.818 -8.766 11.755 1.00 0.00 C ATOM 392 NH1 ARG A 26 -5.744 -9.114 10.870 1.00 0.00 N ATOM 393 NH2 ARG A 26 -5.121 -8.738 13.045 1.00 0.00 N ATOM 0 H ARG A 26 -0.841 -6.144 7.196 1.00 0.00 H new ATOM 0 HA ARG A 26 0.725 -7.560 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.862 -7.921 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.123 -9.355 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.113 -8.327 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.751 -6.832 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.853 -7.837 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.221 -9.460 9.560 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.907 -8.183 12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.517 -9.136 9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.683 -9.359 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.414 -8.470 13.729 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.062 -8.984 13.353 1.00 0.00 H new ATOM 407 N ILE A 27 0.664 -8.682 6.012 1.00 0.00 N ATOM 408 CA ILE A 27 1.361 -9.544 5.066 1.00 0.00 C ATOM 409 C ILE A 27 2.827 -9.142 4.932 1.00 0.00 C ATOM 410 O ILE A 27 3.721 -9.986 4.996 1.00 0.00 O ATOM 411 CB ILE A 27 0.699 -9.504 3.674 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.804 -9.768 3.790 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.350 -10.520 2.746 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.643 -8.890 2.887 1.00 0.00 C ATOM 0 H ILE A 27 -0.105 -8.148 5.608 1.00 0.00 H new ATOM 0 HA ILE A 27 1.300 -10.559 5.459 1.00 0.00 H new ATOM 0 HB ILE A 27 0.843 -8.510 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.001 -10.813 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.113 -9.613 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.871 -10.479 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.410 -10.290 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.236 -11.520 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.697 -9.132 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.476 -7.843 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.361 -9.062 1.848 1.00 0.00 H new ATOM 426 N LEU A 28 3.066 -7.848 4.746 1.00 0.00 N ATOM 427 CA LEU A 28 4.423 -7.333 4.603 1.00 0.00 C ATOM 428 C LEU A 28 5.265 -7.664 5.831 1.00 0.00 C ATOM 429 O LEU A 28 6.423 -8.065 5.714 1.00 0.00 O ATOM 430 CB LEU A 28 4.395 -5.819 4.385 1.00 0.00 C ATOM 431 CG LEU A 28 3.828 -5.369 3.039 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.169 -4.005 3.167 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.923 -5.338 1.984 1.00 0.00 C ATOM 0 H LEU A 28 2.337 -7.136 4.691 1.00 0.00 H new ATOM 0 HA LEU A 28 4.876 -7.812 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.805 -5.364 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.411 -5.435 4.481 1.00 0.00 H new ATOM 0 HG LEU A 28 3.070 -6.087 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.771 -3.701 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.357 -4.060 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.906 -3.275 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.502 -5.015 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.704 -4.641 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.350 -6.335 1.873 1.00 0.00 H new ATOM 445 N ASP A 29 4.673 -7.492 7.009 1.00 0.00 N ATOM 446 CA ASP A 29 5.366 -7.772 8.261 1.00 0.00 C ATOM 447 C ASP A 29 5.820 -9.228 8.315 1.00 0.00 C ATOM 448 O ASP A 29 6.986 -9.515 8.586 1.00 0.00 O ATOM 449 CB ASP A 29 4.457 -7.463 9.452 1.00 0.00 C ATOM 450 CG ASP A 29 4.686 -6.071 10.008 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.733 -5.856 10.655 1.00 0.00 O ATOM 452 OD2 ASP A 29 3.819 -5.197 9.798 1.00 0.00 O ATOM 0 H ASP A 29 3.715 -7.160 7.122 1.00 0.00 H new ATOM 0 HA ASP A 29 6.247 -7.133 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.416 -7.562 9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.630 -8.198 10.238 1.00 0.00 H new ATOM 457 N GLY A 30 4.891 -10.142 8.053 1.00 0.00 N ATOM 458 CA GLY A 30 5.217 -11.556 8.074 1.00 0.00 C ATOM 459 C GLY A 30 6.315 -11.908 7.090 1.00 0.00 C ATOM 460 O GLY A 30 7.103 -12.823 7.329 1.00 0.00 O ATOM 0 H GLY A 30 3.919 -9.929 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.528 -11.840 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.324 -12.136 7.841 1.00 0.00 H new ATOM 464 N LYS A 31 6.368 -11.176 5.982 1.00 0.00 N ATOM 465 CA LYS A 31 7.378 -11.411 4.956 1.00 0.00 C ATOM 466 C LYS A 31 8.740 -10.870 5.389 1.00 0.00 C ATOM 467 O LYS A 31 9.759 -11.162 4.763 1.00 0.00 O ATOM 468 CB LYS A 31 6.955 -10.762 3.637 1.00 0.00 C ATOM 469 CG LYS A 31 5.752 -11.430 2.990 1.00 0.00 C ATOM 470 CD LYS A 31 5.348 -10.725 1.705 1.00 0.00 C ATOM 471 CE LYS A 31 6.440 -10.816 0.650 1.00 0.00 C ATOM 472 NZ LYS A 31 5.898 -11.219 -0.677 1.00 0.00 N ATOM 0 H LYS A 31 5.723 -10.414 5.771 1.00 0.00 H new ATOM 0 HA LYS A 31 7.467 -12.488 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.725 -9.712 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.794 -10.791 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.985 -12.473 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.914 -11.427 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.430 -11.169 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.132 -9.678 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.939 -9.851 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.193 -11.537 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.684 -11.385 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.342 -12.092 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.289 -10.462 -1.047 1.00 0.00 H new ATOM 486 N ARG A 32 8.754 -10.083 6.463 1.00 0.00 N ATOM 487 CA ARG A 32 9.993 -9.506 6.975 1.00 0.00 C ATOM 488 C ARG A 32 10.568 -8.493 5.990 1.00 0.00 C ATOM 489 O ARG A 32 11.774 -8.468 5.742 1.00 0.00 O ATOM 490 CB ARG A 32 11.018 -10.608 7.254 1.00 0.00 C ATOM 491 CG ARG A 32 11.745 -10.440 8.580 1.00 0.00 C ATOM 492 CD ARG A 32 11.433 -11.579 9.538 1.00 0.00 C ATOM 493 NE ARG A 32 10.354 -11.237 10.462 1.00 0.00 N ATOM 494 CZ ARG A 32 9.660 -12.136 11.156 1.00 0.00 C ATOM 495 NH1 ARG A 32 9.927 -13.431 11.032 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.695 -11.740 11.975 1.00 0.00 N ATOM 0 H ARG A 32 7.921 -9.831 6.995 1.00 0.00 H new ATOM 0 HA ARG A 32 9.767 -8.989 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.513 -11.574 7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.750 -10.625 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.820 -10.397 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.458 -9.492 9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.155 -12.466 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.329 -11.832 10.105 1.00 0.00 H new ATOM 0 HE ARG A 32 10.119 -10.252 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.667 -13.741 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.392 -14.115 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.485 -10.747 12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.163 -12.429 12.507 1.00 0.00 H new ATOM 510 N ILE A 33 9.699 -7.656 5.435 1.00 0.00 N ATOM 511 CA ILE A 33 10.120 -6.641 4.483 1.00 0.00 C ATOM 512 C ILE A 33 10.436 -5.328 5.187 1.00 0.00 C ATOM 513 O ILE A 33 9.975 -5.078 6.300 1.00 0.00 O ATOM 514 CB ILE A 33 9.042 -6.389 3.410 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.589 -7.712 2.792 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.571 -5.449 2.336 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.576 -7.544 1.679 1.00 0.00 C ATOM 0 H ILE A 33 8.698 -7.662 5.630 1.00 0.00 H new ATOM 0 HA ILE A 33 11.020 -7.018 3.998 1.00 0.00 H new ATOM 0 HB ILE A 33 8.181 -5.917 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.460 -8.239 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.159 -8.340 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.798 -5.281 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.849 -4.498 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.446 -5.894 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.300 -8.523 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.688 -7.045 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.010 -6.943 0.880 1.00 0.00 H new ATOM 529 N GLN A 34 11.224 -4.495 4.524 1.00 0.00 N ATOM 530 CA GLN A 34 11.610 -3.200 5.074 1.00 0.00 C ATOM 531 C GLN A 34 10.808 -2.078 4.423 1.00 0.00 C ATOM 532 O GLN A 34 11.312 -0.974 4.221 1.00 0.00 O ATOM 533 CB GLN A 34 13.107 -2.959 4.867 1.00 0.00 C ATOM 534 CG GLN A 34 13.971 -4.156 5.232 1.00 0.00 C ATOM 535 CD GLN A 34 14.445 -4.925 4.014 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.474 -4.600 3.422 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.693 -5.952 3.634 1.00 0.00 N ATOM 0 H GLN A 34 11.611 -4.692 3.601 1.00 0.00 H new ATOM 0 HA GLN A 34 11.396 -3.206 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.284 -2.698 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.415 -2.102 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.836 -3.815 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.405 -4.824 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.848 -6.185 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.961 -6.507 2.821 1.00 0.00 H new ATOM 546 N TYR A 35 9.556 -2.375 4.093 1.00 0.00 N ATOM 547 CA TYR A 35 8.676 -1.401 3.460 1.00 0.00 C ATOM 548 C TYR A 35 8.436 -0.199 4.370 1.00 0.00 C ATOM 549 O TYR A 35 8.532 -0.302 5.593 1.00 0.00 O ATOM 550 CB TYR A 35 7.340 -2.055 3.092 1.00 0.00 C ATOM 551 CG TYR A 35 6.460 -2.362 4.285 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.725 -3.449 5.109 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.364 -1.563 4.587 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.923 -3.730 6.199 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.558 -1.837 5.675 1.00 0.00 C ATOM 556 CZ TYR A 35 4.842 -2.922 6.478 1.00 0.00 C ATOM 557 OH TYR A 35 4.041 -3.198 7.562 1.00 0.00 O ATOM 0 H TYR A 35 9.127 -3.286 4.254 1.00 0.00 H new ATOM 0 HA TYR A 35 9.165 -1.047 2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.799 -1.396 2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.536 -2.980 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.571 -4.085 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.138 -0.713 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.142 -4.579 6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.710 -1.205 5.896 1.00 0.00 H new ATOM 0 HH TYR A 35 4.396 -3.975 8.042 1.00 0.00 H new ATOM 567 N GLN A 36 8.116 0.939 3.762 1.00 0.00 N ATOM 568 CA GLN A 36 7.852 2.162 4.509 1.00 0.00 C ATOM 569 C GLN A 36 6.367 2.273 4.839 1.00 0.00 C ATOM 570 O GLN A 36 5.577 1.402 4.478 1.00 0.00 O ATOM 571 CB GLN A 36 8.305 3.384 3.704 1.00 0.00 C ATOM 572 CG GLN A 36 9.497 4.105 4.310 1.00 0.00 C ATOM 573 CD GLN A 36 10.821 3.505 3.879 1.00 0.00 C ATOM 574 OE1 GLN A 36 11.251 2.478 4.403 1.00 0.00 O ATOM 575 NE2 GLN A 36 11.475 4.146 2.918 1.00 0.00 N ATOM 0 H GLN A 36 8.033 1.039 2.750 1.00 0.00 H new ATOM 0 HA GLN A 36 8.416 2.127 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.558 3.068 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.472 4.083 3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.467 5.156 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.423 4.071 5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.081 4.995 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.371 3.790 2.586 1.00 0.00 H new ATOM 584 N LEU A 37 5.990 3.350 5.519 1.00 0.00 N ATOM 585 CA LEU A 37 4.604 3.569 5.884 1.00 0.00 C ATOM 586 C LEU A 37 4.269 5.041 5.775 1.00 0.00 C ATOM 587 O LEU A 37 4.240 5.763 6.772 1.00 0.00 O ATOM 588 CB LEU A 37 4.343 3.072 7.299 1.00 0.00 C ATOM 589 CG LEU A 37 2.885 2.731 7.610 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.770 2.078 8.979 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.020 3.981 7.540 1.00 0.00 C ATOM 0 H LEU A 37 6.629 4.083 5.827 1.00 0.00 H new ATOM 0 HA LEU A 37 3.967 3.009 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.952 2.185 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.679 3.834 8.002 1.00 0.00 H new ATOM 0 HG LEU A 37 2.529 2.023 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.726 1.842 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.359 1.161 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.143 2.762 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.986 3.721 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.376 4.711 8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.078 4.408 6.539 1.00 0.00 H new ATOM 603 N VAL A 38 4.020 5.479 4.555 1.00 0.00 N ATOM 604 CA VAL A 38 3.690 6.872 4.312 1.00 0.00 C ATOM 605 C VAL A 38 2.234 7.129 4.659 1.00 0.00 C ATOM 606 O VAL A 38 1.366 7.190 3.788 1.00 0.00 O ATOM 607 CB VAL A 38 3.955 7.289 2.850 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.425 7.623 2.651 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.515 6.201 1.881 1.00 0.00 C ATOM 0 H VAL A 38 4.040 4.894 3.720 1.00 0.00 H new ATOM 0 HA VAL A 38 4.338 7.473 4.950 1.00 0.00 H new ATOM 0 HB VAL A 38 3.365 8.181 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.595 7.915 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.704 8.445 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.032 6.748 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.714 6.522 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.068 5.285 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.448 6.016 2.002 1.00 0.00 H new ATOM 619 N ASP A 39 1.982 7.273 5.951 1.00 0.00 N ATOM 620 CA ASP A 39 0.633 7.518 6.449 1.00 0.00 C ATOM 621 C ASP A 39 0.248 8.983 6.277 1.00 0.00 C ATOM 622 O ASP A 39 0.917 9.878 6.793 1.00 0.00 O ATOM 623 CB ASP A 39 0.532 7.121 7.923 1.00 0.00 C ATOM 624 CG ASP A 39 -0.836 6.577 8.284 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.780 7.384 8.413 1.00 0.00 O ATOM 626 OD2 ASP A 39 -0.963 5.344 8.436 1.00 0.00 O ATOM 0 H ASP A 39 2.696 7.225 6.678 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.059 6.909 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.289 6.369 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.751 7.989 8.546 1.00 0.00 H new ATOM 631 N ILE A 40 -0.835 9.217 5.543 1.00 0.00 N ATOM 632 CA ILE A 40 -1.315 10.571 5.294 1.00 0.00 C ATOM 633 C ILE A 40 -2.036 11.145 6.511 1.00 0.00 C ATOM 634 O ILE A 40 -2.262 12.353 6.595 1.00 0.00 O ATOM 635 CB ILE A 40 -2.265 10.615 4.080 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.472 9.705 4.314 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.526 10.209 2.812 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.487 9.750 3.193 1.00 0.00 C ATOM 0 H ILE A 40 -1.398 8.485 5.110 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.435 11.179 5.084 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.623 11.637 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.125 8.679 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.959 9.992 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.211 10.245 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.697 10.895 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.141 9.196 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.316 9.081 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.862 10.767 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.016 9.434 2.262 1.00 0.00 H new ATOM 650 N SER A 41 -2.395 10.278 7.454 1.00 0.00 N ATOM 651 CA SER A 41 -3.087 10.710 8.664 1.00 0.00 C ATOM 652 C SER A 41 -2.237 11.704 9.450 1.00 0.00 C ATOM 653 O SER A 41 -2.762 12.527 10.200 1.00 0.00 O ATOM 654 CB SER A 41 -3.426 9.504 9.542 1.00 0.00 C ATOM 655 OG SER A 41 -4.287 8.605 8.864 1.00 0.00 O ATOM 0 H SER A 41 -2.219 9.275 7.404 1.00 0.00 H new ATOM 0 HA SER A 41 -4.012 11.205 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.509 8.989 9.827 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.901 9.843 10.463 1.00 0.00 H new ATOM 0 HG SER A 41 -5.176 8.630 9.276 1.00 0.00 H new ATOM 661 N GLN A 42 -0.922 11.621 9.271 1.00 0.00 N ATOM 662 CA GLN A 42 0.002 12.512 9.960 1.00 0.00 C ATOM 663 C GLN A 42 -0.305 13.970 9.639 1.00 0.00 C ATOM 664 O GLN A 42 -0.720 14.736 10.509 1.00 0.00 O ATOM 665 CB GLN A 42 1.442 12.186 9.563 1.00 0.00 C ATOM 666 CG GLN A 42 2.483 12.953 10.360 1.00 0.00 C ATOM 667 CD GLN A 42 3.696 13.326 9.530 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.606 14.138 8.609 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.839 12.733 9.853 1.00 0.00 N ATOM 0 H GLN A 42 -0.473 10.944 8.654 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.119 12.362 11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.612 11.117 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.576 12.403 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.031 13.859 10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.801 12.350 11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.867 12.066 10.624 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.689 12.944 9.330 1.00 0.00 H new ATOM 678 N ASP A 43 -0.097 14.347 8.382 1.00 0.00 N ATOM 679 CA ASP A 43 -0.351 15.714 7.941 1.00 0.00 C ATOM 680 C ASP A 43 -1.443 15.748 6.877 1.00 0.00 C ATOM 681 O ASP A 43 -1.673 14.762 6.177 1.00 0.00 O ATOM 682 CB ASP A 43 0.934 16.343 7.396 1.00 0.00 C ATOM 683 CG ASP A 43 1.221 17.698 8.013 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.272 18.332 8.521 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.394 18.125 7.988 1.00 0.00 O ATOM 0 H ASP A 43 0.247 13.725 7.650 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.691 16.291 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.773 15.674 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.853 16.449 6.314 1.00 0.00 H new ATOM 690 N ASN A 44 -2.112 16.891 6.761 1.00 0.00 N ATOM 691 CA ASN A 44 -3.180 17.055 5.782 1.00 0.00 C ATOM 692 C ASN A 44 -2.615 17.180 4.368 1.00 0.00 C ATOM 693 O ASN A 44 -3.307 16.905 3.388 1.00 0.00 O ATOM 694 CB ASN A 44 -4.023 18.288 6.121 1.00 0.00 C ATOM 695 CG ASN A 44 -5.466 17.936 6.424 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.812 17.606 7.559 1.00 0.00 O ATOM 697 ND2 ASN A 44 -6.318 18.004 5.408 1.00 0.00 N ATOM 0 H ASN A 44 -1.933 17.717 7.333 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.812 16.168 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.588 18.797 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.990 18.988 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.302 17.778 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.988 18.282 4.484 1.00 0.00 H new ATOM 704 N ALA A 45 -1.355 17.595 4.269 1.00 0.00 N ATOM 705 CA ALA A 45 -0.704 17.754 2.975 1.00 0.00 C ATOM 706 C ALA A 45 -0.557 16.413 2.267 1.00 0.00 C ATOM 707 O ALA A 45 -0.687 16.326 1.047 1.00 0.00 O ATOM 708 CB ALA A 45 0.654 18.417 3.144 1.00 0.00 C ATOM 0 H ALA A 45 -0.766 17.827 5.069 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.332 18.395 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.128 18.529 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.525 19.399 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.283 17.799 3.785 1.00 0.00 H new ATOM 714 N LEU A 46 -0.289 15.369 3.042 1.00 0.00 N ATOM 715 CA LEU A 46 -0.129 14.031 2.489 1.00 0.00 C ATOM 716 C LEU A 46 -1.418 13.572 1.819 1.00 0.00 C ATOM 717 O LEU A 46 -1.393 12.945 0.760 1.00 0.00 O ATOM 718 CB LEU A 46 0.268 13.045 3.588 1.00 0.00 C ATOM 719 CG LEU A 46 1.722 13.141 4.055 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.663 12.622 2.979 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.071 14.575 4.425 1.00 0.00 C ATOM 0 H LEU A 46 -0.178 15.424 4.054 1.00 0.00 H new ATOM 0 HA LEU A 46 0.662 14.062 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.384 13.202 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.085 12.032 3.229 1.00 0.00 H new ATOM 0 HG LEU A 46 1.840 12.520 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.693 12.698 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.429 11.580 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.543 13.216 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.109 14.623 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.936 15.218 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.418 14.912 5.230 1.00 0.00 H new ATOM 733 N ARG A 47 -2.545 13.895 2.444 1.00 0.00 N ATOM 734 CA ARG A 47 -3.850 13.522 1.911 1.00 0.00 C ATOM 735 C ARG A 47 -4.060 14.122 0.524 1.00 0.00 C ATOM 736 O ARG A 47 -4.445 13.422 -0.414 1.00 0.00 O ATOM 737 CB ARG A 47 -4.962 13.987 2.854 1.00 0.00 C ATOM 738 CG ARG A 47 -5.384 12.932 3.863 1.00 0.00 C ATOM 739 CD ARG A 47 -6.654 13.337 4.593 1.00 0.00 C ATOM 740 NE ARG A 47 -7.538 12.198 4.830 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.831 12.311 5.124 1.00 0.00 C ATOM 742 NH1 ARG A 47 -9.395 13.509 5.219 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.563 11.223 5.324 1.00 0.00 N ATOM 0 H ARG A 47 -2.581 14.415 3.321 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.885 12.436 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.626 14.875 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.830 14.280 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.543 11.982 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.582 12.776 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.393 13.797 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.183 14.091 4.009 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.141 11.261 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.837 14.349 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.386 13.589 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.135 10.300 5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.554 11.309 5.549 1.00 0.00 H new ATOM 757 N ASP A 48 -3.801 15.421 0.399 1.00 0.00 N ATOM 758 CA ASP A 48 -3.961 16.110 -0.878 1.00 0.00 C ATOM 759 C ASP A 48 -2.732 15.946 -1.761 1.00 0.00 C ATOM 760 O ASP A 48 -2.681 16.452 -2.882 1.00 0.00 O ATOM 761 CB ASP A 48 -4.258 17.593 -0.654 1.00 0.00 C ATOM 762 CG ASP A 48 -5.326 18.118 -1.593 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.475 17.635 -1.514 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.014 19.012 -2.407 1.00 0.00 O ATOM 0 H ASP A 48 -3.481 16.016 1.163 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.806 15.654 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.578 17.745 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.343 18.169 -0.791 1.00 0.00 H new ATOM 769 N GLU A 49 -1.755 15.224 -1.248 1.00 0.00 N ATOM 770 CA GLU A 49 -0.520 14.965 -1.977 1.00 0.00 C ATOM 771 C GLU A 49 -0.556 13.572 -2.596 1.00 0.00 C ATOM 772 O GLU A 49 0.035 13.330 -3.649 1.00 0.00 O ATOM 773 CB GLU A 49 0.688 15.098 -1.048 1.00 0.00 C ATOM 774 CG GLU A 49 2.016 14.806 -1.728 1.00 0.00 C ATOM 775 CD GLU A 49 2.916 13.916 -0.892 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.679 14.454 -0.063 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.859 12.681 -1.068 1.00 0.00 O ATOM 0 H GLU A 49 -1.790 14.801 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.428 15.702 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.713 16.109 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.564 14.418 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.830 14.328 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.529 15.745 -1.933 1.00 0.00 H new ATOM 784 N MET A 50 -1.259 12.661 -1.931 1.00 0.00 N ATOM 785 CA MET A 50 -1.384 11.289 -2.407 1.00 0.00 C ATOM 786 C MET A 50 -2.484 11.181 -3.456 1.00 0.00 C ATOM 787 O MET A 50 -2.325 10.502 -4.470 1.00 0.00 O ATOM 788 CB MET A 50 -1.682 10.348 -1.238 1.00 0.00 C ATOM 789 CG MET A 50 -1.399 8.887 -1.544 1.00 0.00 C ATOM 790 SD MET A 50 -2.762 8.082 -2.408 1.00 0.00 S ATOM 791 CE MET A 50 -3.914 7.828 -1.060 1.00 0.00 C ATOM 0 H MET A 50 -1.752 12.850 -1.058 1.00 0.00 H new ATOM 0 HA MET A 50 -0.438 10.998 -2.865 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.086 10.652 -0.377 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.729 10.455 -0.955 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.496 8.815 -2.151 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.200 8.357 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.728 7.185 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.398 7.356 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.318 8.789 -0.741 1.00 0.00 H new ATOM 801 N ARG A 51 -3.601 11.859 -3.206 1.00 0.00 N ATOM 802 CA ARG A 51 -4.728 11.842 -4.131 1.00 0.00 C ATOM 803 C ARG A 51 -4.319 12.390 -5.494 1.00 0.00 C ATOM 804 O ARG A 51 -4.858 11.986 -6.524 1.00 0.00 O ATOM 805 CB ARG A 51 -5.891 12.660 -3.565 1.00 0.00 C ATOM 806 CG ARG A 51 -6.920 11.822 -2.823 1.00 0.00 C ATOM 807 CD ARG A 51 -6.453 11.484 -1.416 1.00 0.00 C ATOM 808 NE ARG A 51 -7.364 10.561 -0.744 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.523 10.926 -0.201 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.916 12.194 -0.248 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.292 10.023 0.390 1.00 0.00 N ATOM 0 H ARG A 51 -3.749 12.426 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.049 10.808 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.496 13.418 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.385 13.187 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.865 12.364 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.109 10.902 -3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.457 11.042 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.369 12.400 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.096 9.578 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.329 12.894 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.805 12.468 0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.996 9.048 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.180 10.303 0.806 1.00 0.00 H new ATOM 825 N ALA A 52 -3.361 13.313 -5.492 1.00 0.00 N ATOM 826 CA ALA A 52 -2.879 13.916 -6.729 1.00 0.00 C ATOM 827 C ALA A 52 -1.906 12.989 -7.448 1.00 0.00 C ATOM 828 O ALA A 52 -2.126 12.615 -8.600 1.00 0.00 O ATOM 829 CB ALA A 52 -2.218 15.255 -6.439 1.00 0.00 C ATOM 0 H ALA A 52 -2.904 13.659 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.735 14.079 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.862 15.695 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.942 15.925 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.376 15.106 -5.763 1.00 0.00 H new ATOM 835 N LEU A 53 -0.829 12.621 -6.762 1.00 0.00 N ATOM 836 CA LEU A 53 0.178 11.736 -7.336 1.00 0.00 C ATOM 837 C LEU A 53 -0.436 10.395 -7.730 1.00 0.00 C ATOM 838 O LEU A 53 0.031 9.737 -8.660 1.00 0.00 O ATOM 839 CB LEU A 53 1.320 11.514 -6.342 1.00 0.00 C ATOM 840 CG LEU A 53 2.173 12.748 -6.049 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.926 12.578 -4.739 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.142 13.009 -7.193 1.00 0.00 C ATOM 0 H LEU A 53 -0.631 12.922 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 53 0.574 12.212 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.899 11.151 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.968 10.726 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 53 1.512 13.609 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.528 13.466 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.214 12.439 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.577 11.706 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.741 13.891 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.797 12.147 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.582 13.176 -8.113 1.00 0.00 H new ATOM 854 N ALA A 54 -1.484 9.998 -7.016 1.00 0.00 N ATOM 855 CA ALA A 54 -2.162 8.736 -7.289 1.00 0.00 C ATOM 856 C ALA A 54 -3.081 8.842 -8.504 1.00 0.00 C ATOM 857 O ALA A 54 -3.581 7.833 -9.001 1.00 0.00 O ATOM 858 CB ALA A 54 -2.952 8.292 -6.067 1.00 0.00 C ATOM 0 H ALA A 54 -1.882 10.532 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.400 7.990 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.454 7.349 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.274 8.158 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.695 9.050 -5.819 1.00 0.00 H new ATOM 864 N GLY A 55 -3.305 10.065 -8.979 1.00 0.00 N ATOM 865 CA GLY A 55 -4.169 10.262 -10.129 1.00 0.00 C ATOM 866 C GLY A 55 -5.578 9.764 -9.877 1.00 0.00 C ATOM 867 O GLY A 55 -6.161 9.076 -10.715 1.00 0.00 O ATOM 0 H GLY A 55 -2.905 10.919 -8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.200 11.322 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.750 9.741 -10.990 1.00 0.00 H new ATOM 871 N ASN A 56 -6.123 10.112 -8.716 1.00 0.00 N ATOM 872 CA ASN A 56 -7.470 9.702 -8.341 1.00 0.00 C ATOM 873 C ASN A 56 -7.784 10.156 -6.935 1.00 0.00 C ATOM 874 O ASN A 56 -7.151 9.728 -5.970 1.00 0.00 O ATOM 875 CB ASN A 56 -7.643 8.184 -8.457 1.00 0.00 C ATOM 876 CG ASN A 56 -6.398 7.419 -8.047 1.00 0.00 C ATOM 877 OD1 ASN A 56 -5.793 6.717 -8.857 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.012 7.550 -6.783 1.00 0.00 N ATOM 0 H ASN A 56 -5.648 10.681 -8.015 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.168 10.175 -9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.480 7.869 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.899 7.929 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.183 7.058 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.544 8.143 -6.146 1.00 0.00 H new ATOM 885 N PRO A 57 -8.768 11.049 -6.806 1.00 0.00 N ATOM 886 CA PRO A 57 -9.178 11.592 -5.531 1.00 0.00 C ATOM 887 C PRO A 57 -10.215 10.721 -4.827 1.00 0.00 C ATOM 888 O PRO A 57 -10.998 11.205 -4.010 1.00 0.00 O ATOM 889 CB PRO A 57 -9.774 12.951 -5.913 1.00 0.00 C ATOM 890 CG PRO A 57 -9.793 13.016 -7.409 1.00 0.00 C ATOM 891 CD PRO A 57 -9.558 11.624 -7.896 1.00 0.00 C ATOM 0 HA PRO A 57 -8.351 11.655 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.781 13.058 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.177 13.764 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.749 13.397 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.021 13.692 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.492 11.083 -8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.018 11.609 -8.843 1.00 0.00 H new ATOM 899 N LYS A 58 -10.205 9.433 -5.145 1.00 0.00 N ATOM 900 CA LYS A 58 -11.132 8.482 -4.543 1.00 0.00 C ATOM 901 C LYS A 58 -10.386 7.267 -3.989 1.00 0.00 C ATOM 902 O LYS A 58 -11.001 6.333 -3.475 1.00 0.00 O ATOM 903 CB LYS A 58 -12.171 8.032 -5.570 1.00 0.00 C ATOM 904 CG LYS A 58 -13.375 8.956 -5.664 1.00 0.00 C ATOM 905 CD LYS A 58 -14.568 8.396 -4.905 1.00 0.00 C ATOM 906 CE LYS A 58 -15.379 9.500 -4.248 1.00 0.00 C ATOM 907 NZ LYS A 58 -15.065 9.633 -2.799 1.00 0.00 N ATOM 0 H LYS A 58 -9.561 9.021 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.639 8.981 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.697 7.966 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.512 7.029 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.115 9.936 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.643 9.100 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.204 7.834 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.221 7.697 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.179 10.446 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.442 9.292 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.639 10.397 -2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.280 8.739 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.056 9.857 -2.682 1.00 0.00 H new ATOM 921 N ALA A 59 -9.057 7.285 -4.098 1.00 0.00 N ATOM 922 CA ALA A 59 -8.232 6.187 -3.610 1.00 0.00 C ATOM 923 C ALA A 59 -8.468 5.935 -2.123 1.00 0.00 C ATOM 924 O ALA A 59 -9.436 6.429 -1.545 1.00 0.00 O ATOM 925 CB ALA A 59 -6.761 6.479 -3.875 1.00 0.00 C ATOM 0 H ALA A 59 -8.531 8.050 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.516 5.283 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.154 5.652 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.601 6.597 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.474 7.397 -3.362 1.00 0.00 H new ATOM 931 N THR A 60 -7.576 5.163 -1.513 1.00 0.00 N ATOM 932 CA THR A 60 -7.682 4.840 -0.096 1.00 0.00 C ATOM 933 C THR A 60 -6.295 4.749 0.538 1.00 0.00 C ATOM 934 O THR A 60 -5.290 4.672 -0.167 1.00 0.00 O ATOM 935 CB THR A 60 -8.434 3.521 0.089 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.230 2.668 -1.023 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.927 3.703 0.260 1.00 0.00 C ATOM 0 H THR A 60 -6.769 4.748 -1.980 1.00 0.00 H new ATOM 0 HA THR A 60 -8.238 5.636 0.400 1.00 0.00 H new ATOM 0 HB THR A 60 -8.030 3.083 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.717 1.829 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.400 2.729 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.120 4.317 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.337 4.194 -0.623 1.00 0.00 H new ATOM 945 N PRO A 61 -6.220 4.761 1.882 1.00 0.00 N ATOM 946 CA PRO A 61 -4.954 4.683 2.610 1.00 0.00 C ATOM 947 C PRO A 61 -3.977 3.676 1.998 1.00 0.00 C ATOM 948 O PRO A 61 -2.862 4.038 1.624 1.00 0.00 O ATOM 949 CB PRO A 61 -5.368 4.248 4.028 1.00 0.00 C ATOM 950 CG PRO A 61 -6.861 4.105 4.007 1.00 0.00 C ATOM 951 CD PRO A 61 -7.354 4.855 2.803 1.00 0.00 C ATOM 0 HA PRO A 61 -4.422 5.634 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.891 3.306 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.059 4.987 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.148 3.055 3.952 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.300 4.508 4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.254 4.404 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.597 5.890 3.042 1.00 0.00 H new ATOM 959 N PRO A 62 -4.376 2.396 1.887 1.00 0.00 N ATOM 960 CA PRO A 62 -3.517 1.351 1.317 1.00 0.00 C ATOM 961 C PRO A 62 -3.187 1.601 -0.152 1.00 0.00 C ATOM 962 O PRO A 62 -3.958 1.243 -1.042 1.00 0.00 O ATOM 963 CB PRO A 62 -4.349 0.072 1.467 1.00 0.00 C ATOM 964 CG PRO A 62 -5.756 0.541 1.598 1.00 0.00 C ATOM 965 CD PRO A 62 -5.685 1.863 2.305 1.00 0.00 C ATOM 0 HA PRO A 62 -2.552 1.307 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.229 -0.580 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.040 -0.499 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.225 0.646 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.355 -0.173 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.501 2.522 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.745 1.745 3.387 1.00 0.00 H new ATOM 973 N GLN A 63 -2.032 2.213 -0.396 1.00 0.00 N ATOM 974 CA GLN A 63 -1.589 2.508 -1.755 1.00 0.00 C ATOM 975 C GLN A 63 -0.096 2.231 -1.903 1.00 0.00 C ATOM 976 O GLN A 63 0.728 2.835 -1.217 1.00 0.00 O ATOM 977 CB GLN A 63 -1.887 3.967 -2.111 1.00 0.00 C ATOM 978 CG GLN A 63 -3.366 4.319 -2.059 1.00 0.00 C ATOM 979 CD GLN A 63 -3.978 4.480 -3.436 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.747 5.477 -4.119 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.768 3.496 -3.850 1.00 0.00 N ATOM 0 H GLN A 63 -1.384 2.515 0.332 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.136 1.860 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.343 4.617 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.509 4.172 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.902 3.540 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.495 5.245 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.932 2.687 -3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.211 3.549 -4.767 1.00 0.00 H new ATOM 990 N ILE A 64 0.244 1.312 -2.800 1.00 0.00 N ATOM 991 CA ILE A 64 1.637 0.952 -3.033 1.00 0.00 C ATOM 992 C ILE A 64 2.328 1.973 -3.930 1.00 0.00 C ATOM 993 O ILE A 64 1.967 2.136 -5.095 1.00 0.00 O ATOM 994 CB ILE A 64 1.758 -0.443 -3.673 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.917 -1.458 -2.897 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.215 -0.880 -3.723 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.437 -1.722 -3.519 1.00 0.00 C ATOM 0 H ILE A 64 -0.426 0.803 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 64 2.126 0.940 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 64 1.381 -0.392 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.466 -2.397 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.776 -1.098 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.283 -1.868 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.789 -0.167 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.618 -0.918 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.978 -2.451 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.005 -0.793 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.304 -2.113 -4.528 1.00 0.00 H new ATOM 1009 N VAL A 65 3.323 2.658 -3.377 1.00 0.00 N ATOM 1010 CA VAL A 65 4.067 3.664 -4.123 1.00 0.00 C ATOM 1011 C VAL A 65 5.568 3.398 -4.052 1.00 0.00 C ATOM 1012 O VAL A 65 6.102 3.075 -2.991 1.00 0.00 O ATOM 1013 CB VAL A 65 3.775 5.082 -3.593 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.489 6.134 -4.428 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.276 5.340 -3.568 1.00 0.00 C ATOM 0 H VAL A 65 3.633 2.534 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 65 3.741 3.601 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 65 4.155 5.150 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.266 7.125 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.565 5.961 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.149 6.071 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.086 6.345 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.874 5.249 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.792 4.611 -2.917 1.00 0.00 H new ATOM 1025 N ASN A 66 6.239 3.535 -5.189 1.00 0.00 N ATOM 1026 CA ASN A 66 7.677 3.309 -5.265 1.00 0.00 C ATOM 1027 C ASN A 66 8.374 4.476 -5.956 1.00 0.00 C ATOM 1028 O ASN A 66 8.093 4.780 -7.114 1.00 0.00 O ATOM 1029 CB ASN A 66 7.970 2.010 -6.017 1.00 0.00 C ATOM 1030 CG ASN A 66 9.211 1.310 -5.501 1.00 0.00 C ATOM 1031 OD1 ASN A 66 10.292 1.897 -5.446 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.062 0.046 -5.122 1.00 0.00 N ATOM 0 H ASN A 66 5.808 3.803 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 66 8.062 3.228 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.115 1.340 -5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.094 2.228 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.862 -0.478 -4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.147 -0.401 -5.185 1.00 0.00 H new ATOM 1039 N GLY A 67 9.283 5.127 -5.239 1.00 0.00 N ATOM 1040 CA GLY A 67 10.002 6.254 -5.803 1.00 0.00 C ATOM 1041 C GLY A 67 9.085 7.410 -6.152 1.00 0.00 C ATOM 1042 O GLY A 67 9.376 8.192 -7.057 1.00 0.00 O ATOM 0 H GLY A 67 9.535 4.895 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.755 6.593 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.532 5.931 -6.699 1.00 0.00 H new ATOM 1046 N ASP A 68 7.971 7.515 -5.432 1.00 0.00 N ATOM 1047 CA ASP A 68 6.999 8.580 -5.662 1.00 0.00 C ATOM 1048 C ASP A 68 6.190 8.311 -6.926 1.00 0.00 C ATOM 1049 O ASP A 68 5.836 9.235 -7.658 1.00 0.00 O ATOM 1050 CB ASP A 68 7.698 9.938 -5.768 1.00 0.00 C ATOM 1051 CG ASP A 68 6.821 11.079 -5.292 1.00 0.00 C ATOM 1052 OD1 ASP A 68 5.586 10.986 -5.454 1.00 0.00 O ATOM 1053 OD2 ASP A 68 7.369 12.066 -4.757 1.00 0.00 O ATOM 0 H ASP A 68 7.718 6.872 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 68 6.319 8.602 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.615 9.918 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.988 10.114 -6.804 1.00 0.00 H new ATOM 1058 N GLN A 69 5.902 7.038 -7.178 1.00 0.00 N ATOM 1059 CA GLN A 69 5.139 6.644 -8.348 1.00 0.00 C ATOM 1060 C GLN A 69 3.997 5.717 -7.951 1.00 0.00 C ATOM 1061 O GLN A 69 4.023 5.110 -6.882 1.00 0.00 O ATOM 1062 CB GLN A 69 6.054 5.948 -9.352 1.00 0.00 C ATOM 1063 CG GLN A 69 6.632 6.884 -10.398 1.00 0.00 C ATOM 1064 CD GLN A 69 5.581 7.410 -11.356 1.00 0.00 C ATOM 1065 OE1 GLN A 69 5.003 8.474 -11.138 1.00 0.00 O ATOM 1066 NE2 GLN A 69 5.328 6.663 -12.424 1.00 0.00 N ATOM 0 H GLN A 69 6.189 6.261 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 69 4.716 7.537 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.872 5.469 -8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.495 5.157 -9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.117 7.724 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.403 6.360 -10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.832 5.787 -12.565 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.630 6.965 -13.104 1.00 0.00 H new ATOM 1075 N TYR A 70 2.997 5.606 -8.815 1.00 0.00 N ATOM 1076 CA TYR A 70 1.855 4.747 -8.539 1.00 0.00 C ATOM 1077 C TYR A 70 2.195 3.292 -8.835 1.00 0.00 C ATOM 1078 O TYR A 70 2.185 2.861 -9.988 1.00 0.00 O ATOM 1079 CB TYR A 70 0.646 5.185 -9.367 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.676 5.006 -8.655 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.812 5.320 -7.308 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.790 4.523 -9.331 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.019 5.156 -6.655 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.000 4.358 -8.685 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.109 4.675 -7.348 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.313 4.511 -6.701 1.00 0.00 O ATOM 0 H TYR A 70 2.954 6.097 -9.708 1.00 0.00 H new ATOM 0 HA TYR A 70 1.607 4.837 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.763 6.234 -9.638 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.628 4.616 -10.296 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.040 5.698 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.709 4.273 -10.378 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.108 5.403 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.857 3.982 -9.225 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.312 5.032 -5.871 1.00 0.00 H new ATOM 1096 N CYS A 71 2.506 2.542 -7.783 1.00 0.00 N ATOM 1097 CA CYS A 71 2.861 1.135 -7.925 1.00 0.00 C ATOM 1098 C CYS A 71 1.618 0.266 -8.092 1.00 0.00 C ATOM 1099 O CYS A 71 1.494 -0.469 -9.072 1.00 0.00 O ATOM 1100 CB CYS A 71 3.663 0.666 -6.710 1.00 0.00 C ATOM 1101 SG CYS A 71 4.949 -0.546 -7.097 1.00 0.00 S ATOM 0 H CYS A 71 2.519 2.885 -6.823 1.00 0.00 H new ATOM 0 HA CYS A 71 3.473 1.033 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.126 1.532 -6.237 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.978 0.233 -5.981 1.00 0.00 H new ATOM 0 HG CYS A 71 5.573 -0.879 -6.007 1.00 0.00 H new ATOM 1107 N GLY A 72 0.698 0.348 -7.134 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.515 -0.445 -7.214 1.00 0.00 C ATOM 1109 C GLY A 72 -1.548 -0.048 -6.179 1.00 0.00 C ATOM 1110 O GLY A 72 -1.584 1.098 -5.731 1.00 0.00 O ATOM 0 H GLY A 72 0.770 0.945 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.947 -0.340 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.264 -1.498 -7.084 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.394 -1.002 -5.802 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.440 -0.757 -4.818 1.00 0.00 C ATOM 1116 C ASP A 73 -3.732 -2.020 -4.013 1.00 0.00 C ATOM 1117 O ASP A 73 -2.974 -2.988 -4.063 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.714 -0.272 -5.512 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.425 0.813 -4.728 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.245 0.868 -3.493 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.161 1.609 -5.348 1.00 0.00 O ATOM 0 H ASP A 73 -2.374 -1.955 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.091 0.016 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.463 0.106 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.390 -1.115 -5.654 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.836 -2.004 -3.273 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.228 -3.149 -2.460 1.00 0.00 C ATOM 1128 C TYR A 74 -5.693 -4.305 -3.340 1.00 0.00 C ATOM 1129 O TYR A 74 -5.293 -5.451 -3.140 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.340 -2.753 -1.486 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.812 -3.890 -0.608 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -6.161 -4.190 0.582 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.910 -4.661 -0.969 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.590 -5.229 1.387 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.345 -5.701 -0.169 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.682 -5.980 1.007 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.112 -7.015 1.806 1.00 0.00 O ATOM 0 H TYR A 74 -5.475 -1.211 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.357 -3.476 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.984 -1.940 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.187 -2.368 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.306 -3.602 0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.432 -4.444 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.072 -5.451 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.200 -6.292 -0.464 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.893 -7.442 1.396 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.542 -3.995 -4.315 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.066 -4.999 -5.225 1.00 0.00 C ATOM 1149 C GLU A 75 -5.938 -5.740 -5.939 1.00 0.00 C ATOM 1150 O GLU A 75 -5.925 -6.969 -5.988 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.984 -4.329 -6.244 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.272 -5.090 -6.492 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.360 -5.654 -7.896 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.813 -5.023 -8.825 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.977 -6.727 -8.068 1.00 0.00 O ATOM 0 H GLU A 75 -6.881 -3.050 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.631 -5.731 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.226 -3.324 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.448 -4.220 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.351 -5.905 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.120 -4.427 -6.318 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.996 -4.985 -6.493 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.866 -5.569 -7.208 1.00 0.00 C ATOM 1164 C LEU A 76 -3.085 -6.529 -6.315 1.00 0.00 C ATOM 1165 O LEU A 76 -3.070 -7.739 -6.548 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.935 -4.467 -7.718 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.573 -3.481 -8.700 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.038 -2.227 -7.974 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.593 -3.125 -9.808 1.00 0.00 C ATOM 0 H LEU A 76 -4.992 -3.966 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.261 -6.130 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.555 -3.909 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.076 -4.933 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.444 -3.958 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.489 -1.539 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.774 -2.497 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.185 -1.746 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.062 -2.423 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.704 -2.668 -9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.310 -4.029 -10.347 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.434 -5.980 -5.294 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.642 -6.779 -4.363 1.00 0.00 C ATOM 1183 C PHE A 77 -2.414 -8.010 -3.888 1.00 0.00 C ATOM 1184 O PHE A 77 -1.903 -9.130 -3.931 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.225 -5.925 -3.162 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.470 -6.686 -2.109 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.139 -7.513 -1.220 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.908 -6.575 -2.007 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.449 -8.215 -0.251 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.603 -7.274 -1.039 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.924 -8.095 -0.160 1.00 0.00 C ATOM 0 H PHE A 77 -2.439 -4.981 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.751 -7.123 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.607 -5.099 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.116 -5.488 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.213 -7.610 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.444 -5.935 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.982 -8.857 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.677 -7.179 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.466 -8.642 0.597 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.644 -7.795 -3.432 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.480 -8.887 -2.945 1.00 0.00 C ATOM 1203 C VAL A 78 -4.867 -9.838 -4.075 1.00 0.00 C ATOM 1204 O VAL A 78 -4.985 -11.045 -3.867 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.761 -8.358 -2.270 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.579 -9.504 -1.694 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.413 -7.348 -1.187 1.00 0.00 C ATOM 0 H VAL A 78 -4.084 -6.876 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.888 -9.430 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.366 -7.857 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.478 -9.108 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.860 -10.189 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.985 -10.038 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.329 -6.985 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.786 -7.824 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.874 -6.510 -1.630 1.00 0.00 H new ATOM 1217 N GLU A 79 -5.063 -9.290 -5.270 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.437 -10.099 -6.426 1.00 0.00 C ATOM 1219 C GLU A 79 -4.244 -10.886 -6.968 1.00 0.00 C ATOM 1220 O GLU A 79 -4.390 -11.694 -7.884 1.00 0.00 O ATOM 1221 CB GLU A 79 -6.017 -9.216 -7.531 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.517 -10.003 -8.732 1.00 0.00 C ATOM 1223 CD GLU A 79 -5.786 -9.646 -10.011 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -6.109 -8.597 -10.607 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -4.889 -10.416 -10.417 1.00 0.00 O ATOM 0 H GLU A 79 -4.970 -8.293 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.195 -10.810 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.839 -8.629 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.254 -8.510 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.400 -11.069 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.583 -9.818 -8.864 1.00 0.00 H new ATOM 1232 N ALA A 80 -3.063 -10.645 -6.406 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.859 -11.336 -6.847 1.00 0.00 C ATOM 1234 C ALA A 80 -1.562 -12.548 -5.968 1.00 0.00 C ATOM 1235 O ALA A 80 -1.418 -13.664 -6.466 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.680 -10.377 -6.851 1.00 0.00 C ATOM 0 H ALA A 80 -2.916 -9.979 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.026 -11.697 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.216 -10.903 -7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.887 -9.549 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.522 -9.990 -5.844 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.477 -12.326 -4.659 1.00 0.00 N ATOM 1243 CA VAL A 81 -1.201 -13.409 -3.716 1.00 0.00 C ATOM 1244 C VAL A 81 -2.190 -14.558 -3.900 1.00 0.00 C ATOM 1245 O VAL A 81 -1.862 -15.722 -3.669 1.00 0.00 O ATOM 1246 CB VAL A 81 -1.273 -12.920 -2.254 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.854 -14.025 -1.297 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.412 -11.681 -2.054 1.00 0.00 C ATOM 0 H VAL A 81 -1.595 -11.410 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.190 -13.758 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.307 -12.653 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.912 -13.660 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.519 -14.880 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.170 -14.328 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.479 -11.355 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.625 -11.916 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.764 -10.884 -2.708 1.00 0.00 H new ATOM 1258 N GLU A 82 -3.402 -14.212 -4.312 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.460 -15.192 -4.530 1.00 0.00 C ATOM 1260 C GLU A 82 -4.037 -16.274 -5.521 1.00 0.00 C ATOM 1261 O GLU A 82 -4.208 -17.465 -5.263 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.709 -14.488 -5.051 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.431 -13.584 -6.241 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.824 -14.220 -7.560 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.972 -15.460 -7.601 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.986 -13.479 -8.552 1.00 0.00 O ATOM 0 H GLU A 82 -3.680 -13.250 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.669 -15.674 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.449 -15.236 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.147 -13.896 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.975 -12.648 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.370 -13.335 -6.264 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.492 -15.851 -6.656 1.00 0.00 N ATOM 1274 CA GLN A 83 -3.054 -16.783 -7.689 1.00 0.00 C ATOM 1275 C GLN A 83 -1.547 -17.003 -7.621 1.00 0.00 C ATOM 1276 O GLN A 83 -0.962 -17.641 -8.497 1.00 0.00 O ATOM 1277 CB GLN A 83 -3.441 -16.254 -9.071 1.00 0.00 C ATOM 1278 CG GLN A 83 -4.006 -17.320 -9.995 1.00 0.00 C ATOM 1279 CD GLN A 83 -4.549 -16.743 -11.288 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -4.036 -17.027 -12.371 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -5.591 -15.928 -11.181 1.00 0.00 N ATOM 0 H GLN A 83 -3.343 -14.868 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.549 -17.739 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.178 -15.460 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.563 -15.808 -9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.227 -18.047 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.801 -17.858 -9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.984 -15.721 -10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.999 -15.509 -12.017 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.924 -16.459 -6.582 1.00 0.00 N ATOM 1291 CA ASN A 84 0.512 -16.577 -6.394 1.00 0.00 C ATOM 1292 C ASN A 84 1.248 -15.636 -7.338 1.00 0.00 C ATOM 1293 O ASN A 84 2.431 -15.823 -7.623 1.00 0.00 O ATOM 1294 CB ASN A 84 0.979 -18.020 -6.610 1.00 0.00 C ATOM 1295 CG ASN A 84 2.029 -18.444 -5.601 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.175 -18.715 -5.958 1.00 0.00 O ATOM 1297 ND2 ASN A 84 1.640 -18.506 -4.333 1.00 0.00 N ATOM 0 H ASN A 84 -1.399 -15.928 -5.852 1.00 0.00 H new ATOM 0 HA ASN A 84 0.743 -16.297 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.122 -18.690 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.384 -18.121 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.302 -18.787 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.679 -18.272 -4.082 1.00 0.00 H new ATOM 1304 N THR A 85 0.538 -14.618 -7.813 1.00 0.00 N ATOM 1305 CA THR A 85 1.118 -13.640 -8.717 1.00 0.00 C ATOM 1306 C THR A 85 1.850 -12.553 -7.934 1.00 0.00 C ATOM 1307 O THR A 85 2.675 -11.829 -8.491 1.00 0.00 O ATOM 1308 CB THR A 85 0.035 -13.016 -9.602 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.257 -13.335 -9.117 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.108 -13.469 -11.044 1.00 0.00 C ATOM 0 H THR A 85 -0.442 -14.451 -7.584 1.00 0.00 H new ATOM 0 HA THR A 85 1.837 -14.152 -9.356 1.00 0.00 H new ATOM 0 HB THR A 85 0.216 -11.942 -9.564 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.934 -12.925 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.686 -12.990 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.075 -13.192 -11.464 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.012 -14.551 -11.092 1.00 0.00 H new ATOM 1318 N LEU A 86 1.533 -12.446 -6.640 1.00 0.00 N ATOM 1319 CA LEU A 86 2.150 -11.450 -5.760 1.00 0.00 C ATOM 1320 C LEU A 86 3.599 -11.160 -6.149 1.00 0.00 C ATOM 1321 O LEU A 86 4.044 -10.014 -6.096 1.00 0.00 O ATOM 1322 CB LEU A 86 2.093 -11.928 -4.308 1.00 0.00 C ATOM 1323 CG LEU A 86 2.732 -10.980 -3.293 1.00 0.00 C ATOM 1324 CD1 LEU A 86 1.834 -9.777 -3.046 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.024 -11.712 -1.991 1.00 0.00 C ATOM 0 H LEU A 86 0.847 -13.042 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 86 1.585 -10.524 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.050 -12.083 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.588 -12.897 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 86 3.676 -10.621 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.306 -9.114 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.679 -9.240 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.873 -10.114 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.479 -11.022 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.094 -12.101 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.709 -12.538 -2.184 1.00 0.00 H new ATOM 1337 N GLN A 87 4.329 -12.199 -6.545 1.00 0.00 N ATOM 1338 CA GLN A 87 5.722 -12.037 -6.946 1.00 0.00 C ATOM 1339 C GLN A 87 5.840 -10.999 -8.056 1.00 0.00 C ATOM 1340 O GLN A 87 6.564 -10.014 -7.923 1.00 0.00 O ATOM 1341 CB GLN A 87 6.311 -13.369 -7.415 1.00 0.00 C ATOM 1342 CG GLN A 87 7.694 -13.234 -8.034 1.00 0.00 C ATOM 1343 CD GLN A 87 8.394 -14.569 -8.198 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.131 -15.009 -7.316 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.166 -15.221 -9.332 1.00 0.00 N ATOM 0 H GLN A 87 3.981 -13.156 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 87 6.285 -11.694 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.366 -14.052 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.637 -13.819 -8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.606 -12.752 -9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.305 -12.582 -7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.547 -14.819 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.609 -16.124 -9.499 1.00 0.00 H new ATOM 1354 N GLU A 88 5.114 -11.224 -9.149 1.00 0.00 N ATOM 1355 CA GLU A 88 5.128 -10.307 -10.286 1.00 0.00 C ATOM 1356 C GLU A 88 4.973 -8.859 -9.826 1.00 0.00 C ATOM 1357 O GLU A 88 5.403 -7.930 -10.510 1.00 0.00 O ATOM 1358 CB GLU A 88 4.009 -10.663 -11.266 1.00 0.00 C ATOM 1359 CG GLU A 88 4.426 -11.668 -12.328 1.00 0.00 C ATOM 1360 CD GLU A 88 4.491 -13.086 -11.795 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.757 -13.392 -10.832 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.277 -13.889 -12.340 1.00 0.00 O ATOM 0 H GLU A 88 4.508 -12.035 -9.271 1.00 0.00 H new ATOM 0 HA GLU A 88 6.091 -10.407 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.164 -11.066 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.663 -9.753 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.721 -11.628 -13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.402 -11.388 -12.725 1.00 0.00 H new ATOM 1369 N PHE A 89 4.351 -8.676 -8.665 1.00 0.00 N ATOM 1370 CA PHE A 89 4.135 -7.347 -8.110 1.00 0.00 C ATOM 1371 C PHE A 89 5.164 -7.022 -7.028 1.00 0.00 C ATOM 1372 O PHE A 89 5.434 -5.854 -6.749 1.00 0.00 O ATOM 1373 CB PHE A 89 2.722 -7.251 -7.531 1.00 0.00 C ATOM 1374 CG PHE A 89 2.371 -5.891 -7.000 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.910 -5.437 -5.807 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.496 -5.069 -7.692 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.584 -4.188 -5.315 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.166 -3.820 -7.204 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.711 -3.378 -6.014 1.00 0.00 C ATOM 0 H PHE A 89 3.987 -9.436 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 89 4.251 -6.621 -8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.004 -7.524 -8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.619 -7.981 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.593 -6.067 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.067 -5.409 -8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.012 -3.845 -4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.482 -3.189 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.455 -2.401 -5.631 1.00 0.00 H new ATOM 1389 N LEU A 90 5.728 -8.059 -6.412 1.00 0.00 N ATOM 1390 CA LEU A 90 6.714 -7.871 -5.352 1.00 0.00 C ATOM 1391 C LEU A 90 8.142 -8.042 -5.866 1.00 0.00 C ATOM 1392 O LEU A 90 8.905 -7.079 -5.930 1.00 0.00 O ATOM 1393 CB LEU A 90 6.451 -8.853 -4.208 1.00 0.00 C ATOM 1394 CG LEU A 90 6.634 -8.275 -2.804 1.00 0.00 C ATOM 1395 CD1 LEU A 90 8.097 -7.949 -2.548 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.770 -7.036 -2.622 1.00 0.00 C ATOM 0 H LEU A 90 5.520 -9.034 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 90 6.612 -6.849 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.432 -9.229 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.118 -9.708 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 90 6.318 -9.024 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.208 -7.539 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.693 -8.857 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.440 -7.217 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.912 -6.638 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.056 -6.282 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.722 -7.300 -2.763 1.00 0.00 H new ATOM 1408 N LYS A 91 8.504 -9.274 -6.215 1.00 0.00 N ATOM 1409 CA LYS A 91 9.851 -9.566 -6.706 1.00 0.00 C ATOM 1410 C LYS A 91 9.918 -9.529 -8.232 1.00 0.00 C ATOM 1411 O LYS A 91 10.988 -9.703 -8.816 1.00 0.00 O ATOM 1412 CB LYS A 91 10.319 -10.934 -6.202 1.00 0.00 C ATOM 1413 CG LYS A 91 9.820 -11.278 -4.807 1.00 0.00 C ATOM 1414 CD LYS A 91 10.519 -10.446 -3.744 1.00 0.00 C ATOM 1415 CE LYS A 91 9.959 -10.728 -2.360 1.00 0.00 C ATOM 1416 NZ LYS A 91 10.229 -12.126 -1.925 1.00 0.00 N ATOM 0 H LYS A 91 7.887 -10.085 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 91 10.512 -8.791 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.982 -11.702 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.409 -10.958 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.744 -11.110 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.988 -12.337 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.587 -10.661 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.404 -9.387 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.397 -10.034 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.884 -10.549 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.953 -12.239 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.680 -12.785 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.243 -12.332 -2.029 1.00 0.00 H new ATOM 1430 N LEU A 92 8.775 -9.302 -8.876 1.00 0.00 N ATOM 1431 CA LEU A 92 8.708 -9.241 -10.335 1.00 0.00 C ATOM 1432 C LEU A 92 9.470 -10.399 -10.977 1.00 0.00 C ATOM 1433 O LEU A 92 9.982 -10.276 -12.090 1.00 0.00 O ATOM 1434 CB LEU A 92 9.261 -7.905 -10.848 1.00 0.00 C ATOM 1435 CG LEU A 92 9.098 -6.702 -9.907 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.731 -6.707 -9.229 1.00 0.00 C ATOM 1437 CD2 LEU A 92 10.211 -6.684 -8.870 1.00 0.00 C ATOM 0 H LEU A 92 7.880 -9.157 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 92 7.658 -9.323 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.322 -8.032 -11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.771 -7.671 -11.793 1.00 0.00 H new ATOM 0 HG LEU A 92 9.166 -5.795 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.648 -5.843 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.949 -6.662 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.618 -7.620 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.081 -5.825 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.175 -7.601 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.176 -6.613 -9.373 1.00 0.00 H new ATOM 1449 N ALA A 93 9.540 -11.523 -10.269 1.00 0.00 N ATOM 1450 CA ALA A 93 10.238 -12.702 -10.770 1.00 0.00 C ATOM 1451 C ALA A 93 11.666 -12.366 -11.187 1.00 0.00 C ATOM 1452 O ALA A 93 12.223 -12.990 -12.090 1.00 0.00 O ATOM 1453 CB ALA A 93 9.475 -13.308 -11.939 1.00 0.00 C ATOM 0 H ALA A 93 9.122 -11.642 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 93 10.288 -13.432 -9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.006 -14.187 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.477 -13.598 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.395 -12.574 -12.741 1.00 0.00 H new ATOM 1459 N LEU A 94 12.254 -11.375 -10.523 1.00 0.00 N ATOM 1460 CA LEU A 94 13.617 -10.956 -10.826 1.00 0.00 C ATOM 1461 C LEU A 94 14.621 -11.679 -9.931 1.00 0.00 C ATOM 1462 O LEU A 94 15.499 -11.055 -9.335 1.00 0.00 O ATOM 1463 CB LEU A 94 13.756 -9.441 -10.657 1.00 0.00 C ATOM 1464 CG LEU A 94 14.617 -8.748 -11.718 1.00 0.00 C ATOM 1465 CD1 LEU A 94 13.813 -7.683 -12.449 1.00 0.00 C ATOM 1466 CD2 LEU A 94 15.859 -8.137 -11.084 1.00 0.00 C ATOM 0 H LEU A 94 11.808 -10.848 -9.772 1.00 0.00 H new ATOM 0 HA LEU A 94 13.831 -11.218 -11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 94 12.761 -8.996 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.183 -9.238 -9.675 1.00 0.00 H new ATOM 0 HG LEU A 94 14.934 -9.497 -12.444 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.442 -7.202 -13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 94 12.956 -8.146 -12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 13.464 -6.937 -11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.458 -7.649 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 94 15.562 -7.402 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.448 -8.921 -10.608 1.00 0.00 H new ATOM 1478 N GLU A 95 14.483 -12.997 -9.842 1.00 0.00 N ATOM 1479 CA GLU A 95 15.377 -13.805 -9.020 1.00 0.00 C ATOM 1480 C GLU A 95 15.846 -15.042 -9.779 1.00 0.00 C ATOM 1481 O GLU A 95 16.691 -15.784 -9.236 1.00 0.00 O ATOM 1482 CB GLU A 95 14.677 -14.222 -7.726 1.00 0.00 C ATOM 1483 CG GLU A 95 14.390 -13.061 -6.788 1.00 0.00 C ATOM 1484 CD GLU A 95 13.274 -12.167 -7.293 1.00 0.00 C ATOM 1485 OE1 GLU A 95 12.228 -12.703 -7.713 1.00 0.00 O ATOM 1486 OE2 GLU A 95 13.448 -10.930 -7.268 1.00 0.00 O ATOM 0 H GLU A 95 13.761 -13.529 -10.328 1.00 0.00 H new ATOM 0 HA GLU A 95 16.249 -13.199 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.739 -14.718 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.297 -14.953 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.123 -13.450 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.296 -12.469 -6.661 1.00 0.00 H new TER 1493 GLU A 95