USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 788 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 82 SER OG : rot 178:sc= -2.34 USER MOD Set 1.2: A 86 THR OG1 : rot -130:sc= -1.01 USER MOD Single : A 1 ARG N :NH3+ -167:sc= -0.586 (180deg=-0.905) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 12 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 22 GLN : amide:sc=-0.00296 X(o=-0.003,f=-0.099) USER MOD Single : A 23 MET CE :methyl -126:sc= -1.52 (180deg=-4.37!) USER MOD Single : A 24 THR OG1 : rot 180:sc=0.000347 USER MOD Single : A 36 SER OG : rot -60:sc= 0.111 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= -1 (180deg=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -127:sc= -0.394 (180deg=-1.77!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -1.99 (180deg=-2.64!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.0269 (180deg=-0.221) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.53 F(o=-2.1,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 73 SER OG : rot -0:sc= -0.281 USER MOD Single : A 75 THR OG1 : rot -69:sc= 0.233 USER MOD Single : A 76 TYR OH : rot 33:sc= -0.148 USER MOD Single : A 77 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6.8!) USER MOD Single : A 79 THR OG1 : rot -167:sc= -1.14 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 90 ASN :FLIP amide:sc= -2.04! C(o=-4!,f=-2!) USER MOD Single : A 91 LYS NZ :NH3+ -129:sc= -0.156 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.306 9.808 6.394 1.00 0.00 N ATOM 2 CA ARG A 1 5.723 11.103 5.796 1.00 0.00 C ATOM 3 C ARG A 1 6.724 10.891 4.666 1.00 0.00 C ATOM 4 O ARG A 1 6.779 11.675 3.717 1.00 0.00 O ATOM 5 CB ARG A 1 6.342 11.970 6.894 1.00 0.00 C ATOM 6 CG ARG A 1 5.495 12.056 8.152 1.00 0.00 C ATOM 7 CD ARG A 1 5.999 11.109 9.230 1.00 0.00 C ATOM 8 NE ARG A 1 7.418 11.306 9.514 1.00 0.00 N ATOM 9 CZ ARG A 1 7.892 12.296 10.266 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.064 13.180 10.813 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.197 12.405 10.474 1.00 0.00 N ATOM 0 H1 ARG A 1 4.474 9.957 6.999 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.067 9.137 5.636 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.085 9.423 6.965 1.00 0.00 H new ATOM 0 HA ARG A 1 4.850 11.599 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.322 11.569 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.502 12.975 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.506 13.078 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.459 11.817 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.423 11.260 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.832 10.079 8.914 1.00 0.00 H new ATOM 0 HE ARG A 1 8.084 10.646 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.059 13.102 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.434 13.937 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.838 11.730 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.560 13.164 11.051 1.00 0.00 H new ATOM 27 N ASP A 2 7.513 9.827 4.772 1.00 0.00 N ATOM 28 CA ASP A 2 8.512 9.513 3.757 1.00 0.00 C ATOM 29 C ASP A 2 7.849 9.177 2.425 1.00 0.00 C ATOM 30 O ASP A 2 7.568 8.014 2.137 1.00 0.00 O ATOM 31 CB ASP A 2 9.384 8.342 4.216 1.00 0.00 C ATOM 32 CG ASP A 2 10.615 8.799 4.974 1.00 0.00 C ATOM 33 OD1 ASP A 2 11.002 9.978 4.822 1.00 0.00 O ATOM 34 OD2 ASP A 2 11.193 7.980 5.718 1.00 0.00 O ATOM 0 H ASP A 2 7.480 9.168 5.550 1.00 0.00 H new ATOM 0 HA ASP A 2 9.140 10.393 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.794 7.681 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.691 7.759 3.348 1.00 0.00 H new ATOM 39 N SER A 3 7.603 10.203 1.618 1.00 0.00 N ATOM 40 CA SER A 3 6.973 10.017 0.316 1.00 0.00 C ATOM 41 C SER A 3 8.024 9.904 -0.784 1.00 0.00 C ATOM 42 O SER A 3 9.130 10.426 -0.655 1.00 0.00 O ATOM 43 CB SER A 3 6.026 11.178 0.015 1.00 0.00 C ATOM 44 OG SER A 3 6.452 12.366 0.659 1.00 0.00 O ATOM 0 H SER A 3 7.830 11.172 1.842 1.00 0.00 H new ATOM 0 HA SER A 3 6.401 9.089 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.978 11.342 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.018 10.924 0.344 1.00 0.00 H new ATOM 0 HG SER A 3 5.830 13.093 0.449 1.00 0.00 H new ATOM 50 N GLY A 4 7.670 9.219 -1.867 1.00 0.00 N ATOM 51 CA GLY A 4 8.595 9.051 -2.972 1.00 0.00 C ATOM 52 C GLY A 4 9.685 8.044 -2.668 1.00 0.00 C ATOM 53 O GLY A 4 9.478 7.106 -1.898 1.00 0.00 O ATOM 0 H GLY A 4 6.760 8.778 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.045 8.730 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.049 10.013 -3.211 1.00 0.00 H new ATOM 57 N THR A 5 10.851 8.240 -3.276 1.00 0.00 N ATOM 58 CA THR A 5 11.987 7.345 -3.070 1.00 0.00 C ATOM 59 C THR A 5 12.221 7.079 -1.593 1.00 0.00 C ATOM 60 O THR A 5 11.983 7.938 -0.745 1.00 0.00 O ATOM 61 CB THR A 5 13.252 7.936 -3.697 1.00 0.00 C ATOM 62 OG1 THR A 5 12.953 8.575 -4.925 1.00 0.00 O ATOM 63 CG2 THR A 5 14.323 6.902 -3.966 1.00 0.00 C ATOM 0 H THR A 5 11.035 9.012 -3.917 1.00 0.00 H new ATOM 0 HA THR A 5 11.754 6.397 -3.555 1.00 0.00 H new ATOM 0 HB THR A 5 13.632 8.649 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.774 8.947 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.193 7.386 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.612 6.425 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.937 6.148 -4.652 1.00 0.00 H new ATOM 71 N VAL A 6 12.680 5.873 -1.303 1.00 0.00 N ATOM 72 CA VAL A 6 12.944 5.465 0.062 1.00 0.00 C ATOM 73 C VAL A 6 14.199 4.599 0.131 1.00 0.00 C ATOM 74 O VAL A 6 14.558 3.932 -0.841 1.00 0.00 O ATOM 75 CB VAL A 6 11.748 4.679 0.632 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.904 3.219 0.326 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.586 4.913 2.128 1.00 0.00 C ATOM 0 H VAL A 6 12.878 5.157 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 6 13.098 6.365 0.658 1.00 0.00 H new ATOM 0 HB VAL A 6 10.839 5.042 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.055 2.669 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.946 3.076 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.825 2.849 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.733 4.343 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.489 4.590 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.421 5.974 2.314 1.00 0.00 H new ATOM 87 N TRP A 7 14.854 4.604 1.282 1.00 0.00 N ATOM 88 CA TRP A 7 16.060 3.811 1.469 1.00 0.00 C ATOM 89 C TRP A 7 15.887 2.832 2.623 1.00 0.00 C ATOM 90 O TRP A 7 15.441 3.205 3.707 1.00 0.00 O ATOM 91 CB TRP A 7 17.258 4.728 1.712 1.00 0.00 C ATOM 92 CG TRP A 7 17.528 5.641 0.556 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.912 6.830 0.289 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.475 5.433 -0.497 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.419 7.375 -0.866 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.381 6.536 -1.366 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.393 4.421 -0.787 1.00 0.00 C ATOM 98 CZ2 TRP A 7 19.172 6.654 -2.506 1.00 0.00 C ATOM 99 CZ3 TRP A 7 20.178 4.539 -1.919 1.00 0.00 C ATOM 100 CH2 TRP A 7 20.063 5.649 -2.767 1.00 0.00 C ATOM 0 H TRP A 7 14.572 5.146 2.099 1.00 0.00 H new ATOM 0 HA TRP A 7 16.242 3.233 0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.079 5.324 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 7 18.142 4.121 1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 7 16.139 7.277 0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.127 8.259 -1.283 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.488 3.562 -0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 19.085 7.508 -3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.892 3.763 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.690 5.712 -3.644 1.00 0.00 H new ATOM 111 N GLY A 8 16.237 1.574 2.376 1.00 0.00 N ATOM 112 CA GLY A 8 16.102 0.553 3.410 1.00 0.00 C ATOM 113 C GLY A 8 17.137 -0.549 3.287 1.00 0.00 C ATOM 114 O GLY A 8 17.975 -0.522 2.387 1.00 0.00 O ATOM 0 H GLY A 8 16.609 1.241 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.191 1.021 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.105 0.116 3.355 1.00 0.00 H new ATOM 118 N ALA A 9 17.077 -1.524 4.192 1.00 0.00 N ATOM 119 CA ALA A 9 18.015 -2.637 4.172 1.00 0.00 C ATOM 120 C ALA A 9 17.274 -3.966 4.167 1.00 0.00 C ATOM 121 O ALA A 9 16.319 -4.161 4.919 1.00 0.00 O ATOM 122 CB ALA A 9 18.959 -2.563 5.361 1.00 0.00 C ATOM 0 H ALA A 9 16.390 -1.563 4.945 1.00 0.00 H new ATOM 0 HA ALA A 9 18.604 -2.568 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.652 -3.404 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.519 -1.629 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.383 -2.604 6.286 1.00 0.00 H new ATOM 128 N LEU A 10 17.723 -4.878 3.316 1.00 0.00 N ATOM 129 CA LEU A 10 17.101 -6.193 3.211 1.00 0.00 C ATOM 130 C LEU A 10 17.065 -6.889 4.564 1.00 0.00 C ATOM 131 O LEU A 10 18.074 -6.964 5.265 1.00 0.00 O ATOM 132 CB LEU A 10 17.859 -7.053 2.198 1.00 0.00 C ATOM 133 CG LEU A 10 16.983 -7.882 1.258 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.457 -7.020 0.120 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.766 -9.063 0.716 1.00 0.00 C ATOM 0 H LEU A 10 18.514 -4.733 2.689 1.00 0.00 H new ATOM 0 HA LEU A 10 16.075 -6.058 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.494 -6.402 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.520 -7.728 2.742 1.00 0.00 H new ATOM 0 HG LEU A 10 16.130 -8.261 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.836 -7.627 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.863 -6.202 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.295 -6.613 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.131 -9.645 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.635 -8.702 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.095 -9.692 1.543 1.00 0.00 H new ATOM 147 N GLY A 11 15.892 -7.393 4.925 1.00 0.00 N ATOM 148 CA GLY A 11 15.740 -8.074 6.193 1.00 0.00 C ATOM 149 C GLY A 11 15.287 -7.146 7.304 1.00 0.00 C ATOM 150 O GLY A 11 14.989 -7.601 8.410 1.00 0.00 O ATOM 0 H GLY A 11 15.044 -7.342 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.017 -8.882 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.689 -8.531 6.471 1.00 0.00 H new ATOM 154 N HIS A 12 15.230 -5.844 7.023 1.00 0.00 N ATOM 155 CA HIS A 12 14.808 -4.877 8.017 1.00 0.00 C ATOM 156 C HIS A 12 13.398 -4.378 7.694 1.00 0.00 C ATOM 157 O HIS A 12 12.862 -4.667 6.621 1.00 0.00 O ATOM 158 CB HIS A 12 15.842 -3.741 8.084 1.00 0.00 C ATOM 159 CG HIS A 12 15.281 -2.359 8.133 1.00 0.00 C ATOM 160 ND1 HIS A 12 15.009 -1.689 9.304 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.989 -1.510 7.133 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.573 -0.474 9.019 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.552 -0.339 7.705 1.00 0.00 N ATOM 0 H HIS A 12 15.471 -5.443 6.117 1.00 0.00 H new ATOM 0 HA HIS A 12 14.759 -5.337 9.004 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.465 -3.892 8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.496 -3.818 7.215 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.081 -1.711 6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.284 0.279 9.737 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.260 0.497 7.198 1.00 0.00 H new ATOM 172 N GLY A 13 12.797 -3.659 8.636 1.00 0.00 N ATOM 173 CA GLY A 13 11.441 -3.159 8.442 1.00 0.00 C ATOM 174 C GLY A 13 11.376 -1.955 7.525 1.00 0.00 C ATOM 175 O GLY A 13 12.392 -1.343 7.223 1.00 0.00 O ATOM 0 H GLY A 13 13.221 -3.412 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.822 -3.956 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.016 -2.894 9.410 1.00 0.00 H new ATOM 179 N ILE A 14 10.173 -1.611 7.081 1.00 0.00 N ATOM 180 CA ILE A 14 9.989 -0.469 6.195 1.00 0.00 C ATOM 181 C ILE A 14 8.510 -0.253 5.881 1.00 0.00 C ATOM 182 O ILE A 14 7.766 -1.210 5.658 1.00 0.00 O ATOM 183 CB ILE A 14 10.792 -0.645 4.884 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.878 0.675 4.119 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.189 -1.734 4.010 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.140 1.459 4.415 1.00 0.00 C ATOM 0 H ILE A 14 9.313 -2.105 7.319 1.00 0.00 H new ATOM 0 HA ILE A 14 10.366 0.413 6.714 1.00 0.00 H new ATOM 0 HB ILE A 14 11.803 -0.953 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.828 0.471 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.011 1.288 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.775 -1.834 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.196 -2.680 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.163 -1.469 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.137 2.385 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.182 1.693 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.011 0.864 4.140 1.00 0.00 H new ATOM 198 N ASP A 15 8.086 1.008 5.879 1.00 0.00 N ATOM 199 CA ASP A 15 6.694 1.344 5.607 1.00 0.00 C ATOM 200 C ASP A 15 6.568 2.258 4.391 1.00 0.00 C ATOM 201 O ASP A 15 7.107 3.364 4.373 1.00 0.00 O ATOM 202 CB ASP A 15 6.069 2.021 6.830 1.00 0.00 C ATOM 203 CG ASP A 15 4.603 1.674 7.001 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.262 0.476 6.914 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.796 2.601 7.227 1.00 0.00 O ATOM 0 H ASP A 15 8.686 1.812 6.063 1.00 0.00 H new ATOM 0 HA ASP A 15 6.163 0.417 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.616 1.724 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.175 3.102 6.736 1.00 0.00 H new ATOM 210 N LEU A 16 5.838 1.790 3.383 1.00 0.00 N ATOM 211 CA LEU A 16 5.622 2.567 2.164 1.00 0.00 C ATOM 212 C LEU A 16 4.569 3.645 2.418 1.00 0.00 C ATOM 213 O LEU A 16 3.379 3.348 2.515 1.00 0.00 O ATOM 214 CB LEU A 16 5.157 1.643 1.024 1.00 0.00 C ATOM 215 CG LEU A 16 6.128 1.411 -0.156 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.479 2.082 0.047 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.316 -0.080 -0.394 1.00 0.00 C ATOM 0 H LEU A 16 5.385 0.876 3.385 1.00 0.00 H new ATOM 0 HA LEU A 16 6.560 3.041 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.917 0.672 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.230 2.050 0.620 1.00 0.00 H new ATOM 0 HG LEU A 16 5.674 1.872 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.117 1.883 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.339 3.158 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.950 1.686 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.002 -0.232 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.727 -0.543 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.354 -0.535 -0.628 1.00 0.00 H new ATOM 229 N ASP A 17 5.013 4.892 2.544 1.00 0.00 N ATOM 230 CA ASP A 17 4.097 5.998 2.808 1.00 0.00 C ATOM 231 C ASP A 17 3.554 6.615 1.522 1.00 0.00 C ATOM 232 O ASP A 17 4.311 7.041 0.649 1.00 0.00 O ATOM 233 CB ASP A 17 4.786 7.074 3.645 1.00 0.00 C ATOM 234 CG ASP A 17 4.898 6.685 5.106 1.00 0.00 C ATOM 235 OD1 ASP A 17 3.960 6.039 5.623 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.923 7.024 5.734 1.00 0.00 O ATOM 0 H ASP A 17 5.994 5.161 2.468 1.00 0.00 H new ATOM 0 HA ASP A 17 3.253 5.588 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.782 7.260 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.229 8.007 3.562 1.00 0.00 H new ATOM 241 N ILE A 18 2.230 6.662 1.429 1.00 0.00 N ATOM 242 CA ILE A 18 1.545 7.228 0.274 1.00 0.00 C ATOM 243 C ILE A 18 1.467 8.753 0.372 1.00 0.00 C ATOM 244 O ILE A 18 0.888 9.288 1.317 1.00 0.00 O ATOM 245 CB ILE A 18 0.114 6.671 0.173 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.146 5.144 0.122 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.608 7.236 -1.043 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.082 4.542 -0.516 1.00 0.00 C ATOM 0 H ILE A 18 1.602 6.309 2.151 1.00 0.00 H new ATOM 0 HA ILE A 18 2.117 6.952 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.438 6.979 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.029 4.824 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.248 4.756 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.617 6.826 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.661 8.322 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.064 6.965 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.994 3.456 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.966 4.833 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.173 4.902 -1.541 1.00 0.00 H new ATOM 260 N PRO A 19 2.047 9.479 -0.602 1.00 0.00 N ATOM 261 CA PRO A 19 2.028 10.945 -0.601 1.00 0.00 C ATOM 262 C PRO A 19 0.613 11.521 -0.652 1.00 0.00 C ATOM 263 O PRO A 19 -0.207 11.121 -1.480 1.00 0.00 O ATOM 264 CB PRO A 19 2.803 11.323 -1.870 1.00 0.00 C ATOM 265 CG PRO A 19 3.597 10.109 -2.216 1.00 0.00 C ATOM 266 CD PRO A 19 2.770 8.939 -1.768 1.00 0.00 C ATOM 0 HA PRO A 19 2.462 11.346 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.126 11.595 -2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.451 12.182 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.793 10.062 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.565 10.119 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.087 8.604 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.390 8.084 -1.499 1.00 0.00 H new ATOM 274 N ASN A 20 0.347 12.477 0.233 1.00 0.00 N ATOM 275 CA ASN A 20 -0.954 13.149 0.306 1.00 0.00 C ATOM 276 C ASN A 20 -2.137 12.178 0.192 1.00 0.00 C ATOM 277 O ASN A 20 -2.906 12.238 -0.767 1.00 0.00 O ATOM 278 CB ASN A 20 -1.054 14.211 -0.790 1.00 0.00 C ATOM 279 CG ASN A 20 -0.500 15.551 -0.347 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.168 16.580 -0.455 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.730 15.547 0.155 1.00 0.00 N ATOM 0 H ASN A 20 1.023 12.810 0.920 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.014 13.613 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.513 13.871 -1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.097 14.331 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.156 16.419 0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.249 14.672 0.227 1.00 0.00 H new ATOM 288 N PHE A 21 -2.289 11.297 1.179 1.00 0.00 N ATOM 289 CA PHE A 21 -3.382 10.339 1.190 1.00 0.00 C ATOM 290 C PHE A 21 -3.891 10.122 2.615 1.00 0.00 C ATOM 291 O PHE A 21 -3.131 10.226 3.577 1.00 0.00 O ATOM 292 CB PHE A 21 -2.913 9.024 0.578 1.00 0.00 C ATOM 293 CG PHE A 21 -3.701 7.823 1.007 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.020 7.671 0.627 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.117 6.853 1.798 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.748 6.566 1.033 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.834 5.745 2.205 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.153 5.602 1.824 1.00 0.00 C ATOM 0 H PHE A 21 -1.664 11.230 1.982 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.207 10.731 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.961 9.106 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.866 8.869 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.488 8.421 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.086 6.962 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.780 6.457 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.364 4.992 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.718 4.739 2.143 1.00 0.00 H new ATOM 308 N GLN A 22 -5.179 9.823 2.739 1.00 0.00 N ATOM 309 CA GLN A 22 -5.786 9.594 4.045 1.00 0.00 C ATOM 310 C GLN A 22 -6.795 8.451 3.985 1.00 0.00 C ATOM 311 O GLN A 22 -7.801 8.534 3.280 1.00 0.00 O ATOM 312 CB GLN A 22 -6.471 10.867 4.543 1.00 0.00 C ATOM 313 CG GLN A 22 -5.554 11.779 5.342 1.00 0.00 C ATOM 314 CD GLN A 22 -6.307 12.630 6.345 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.059 12.115 7.173 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.109 13.941 6.276 1.00 0.00 N ATOM 0 H GLN A 22 -5.822 9.734 1.953 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.994 9.319 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.862 11.418 3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.325 10.592 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.814 11.175 5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.008 12.428 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.477 14.325 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.589 14.564 6.925 1.00 0.00 H new ATOM 325 N MET A 23 -6.518 7.385 4.728 1.00 0.00 N ATOM 326 CA MET A 23 -7.403 6.225 4.759 1.00 0.00 C ATOM 327 C MET A 23 -8.591 6.473 5.682 1.00 0.00 C ATOM 328 O MET A 23 -8.609 6.017 6.825 1.00 0.00 O ATOM 329 CB MET A 23 -6.635 4.984 5.219 1.00 0.00 C ATOM 330 CG MET A 23 -7.433 3.696 5.094 1.00 0.00 C ATOM 331 SD MET A 23 -8.102 3.138 6.673 1.00 0.00 S ATOM 332 CE MET A 23 -9.833 3.555 6.475 1.00 0.00 C ATOM 0 H MET A 23 -5.689 7.300 5.316 1.00 0.00 H new ATOM 0 HA MET A 23 -7.779 6.058 3.749 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.721 4.894 4.632 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.335 5.117 6.258 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.251 3.847 4.390 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.795 2.916 4.678 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.156 4.173 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.971 4.105 5.544 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.427 2.641 6.448 1.00 0.00 H new ATOM 342 N THR A 24 -9.583 7.200 5.177 1.00 0.00 N ATOM 343 CA THR A 24 -10.777 7.511 5.955 1.00 0.00 C ATOM 344 C THR A 24 -12.012 6.864 5.334 1.00 0.00 C ATOM 345 O THR A 24 -11.908 6.095 4.379 1.00 0.00 O ATOM 346 CB THR A 24 -10.968 9.026 6.049 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.312 9.682 4.979 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.444 9.617 7.339 1.00 0.00 C ATOM 0 H THR A 24 -9.583 7.585 4.232 1.00 0.00 H new ATOM 0 HA THR A 24 -10.645 7.108 6.959 1.00 0.00 H new ATOM 0 HB THR A 24 -12.046 9.183 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.447 10.650 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.611 10.694 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.966 9.168 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.376 9.416 7.424 1.00 0.00 H new ATOM 356 N ASP A 25 -13.181 7.183 5.883 1.00 0.00 N ATOM 357 CA ASP A 25 -14.436 6.633 5.383 1.00 0.00 C ATOM 358 C ASP A 25 -14.604 6.920 3.894 1.00 0.00 C ATOM 359 O ASP A 25 -15.224 6.143 3.168 1.00 0.00 O ATOM 360 CB ASP A 25 -15.617 7.214 6.162 1.00 0.00 C ATOM 361 CG ASP A 25 -15.536 6.914 7.646 1.00 0.00 C ATOM 362 OD1 ASP A 25 -14.416 6.953 8.199 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.590 6.639 8.254 1.00 0.00 O ATOM 0 H ASP A 25 -13.285 7.819 6.674 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.411 5.553 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.650 8.293 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.547 6.809 5.763 1.00 0.00 H new ATOM 368 N ASP A 26 -14.045 8.039 3.445 1.00 0.00 N ATOM 369 CA ASP A 26 -14.130 8.427 2.042 1.00 0.00 C ATOM 370 C ASP A 26 -13.440 7.400 1.151 1.00 0.00 C ATOM 371 O ASP A 26 -13.812 7.220 -0.009 1.00 0.00 O ATOM 372 CB ASP A 26 -13.501 9.806 1.833 1.00 0.00 C ATOM 373 CG ASP A 26 -14.276 10.906 2.531 1.00 0.00 C ATOM 374 OD1 ASP A 26 -14.024 11.140 3.731 1.00 0.00 O ATOM 375 OD2 ASP A 26 -15.134 11.536 1.877 1.00 0.00 O ATOM 0 H ASP A 26 -13.528 8.693 4.033 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.184 8.471 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.476 9.795 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.451 10.022 0.766 1.00 0.00 H new ATOM 380 N ILE A 27 -12.434 6.727 1.700 1.00 0.00 N ATOM 381 CA ILE A 27 -11.693 5.721 0.962 1.00 0.00 C ATOM 382 C ILE A 27 -12.394 4.359 1.059 1.00 0.00 C ATOM 383 O ILE A 27 -12.703 3.901 2.160 1.00 0.00 O ATOM 384 CB ILE A 27 -10.257 5.605 1.511 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.543 6.960 1.434 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.473 4.547 0.751 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.687 7.654 0.094 1.00 0.00 C ATOM 0 H ILE A 27 -12.115 6.864 2.659 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.652 6.025 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.314 5.302 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.936 7.612 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.484 6.814 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.463 4.482 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.968 3.582 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.425 4.817 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.155 8.605 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.267 7.023 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.742 7.833 -0.111 1.00 0.00 H new ATOM 399 N ASP A 28 -12.665 3.716 -0.082 1.00 0.00 N ATOM 400 CA ASP A 28 -13.345 2.429 -0.081 1.00 0.00 C ATOM 401 C ASP A 28 -12.436 1.300 -0.559 1.00 0.00 C ATOM 402 O ASP A 28 -12.447 0.211 0.017 1.00 0.00 O ATOM 403 CB ASP A 28 -14.594 2.495 -0.961 1.00 0.00 C ATOM 404 CG ASP A 28 -15.835 2.003 -0.243 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.903 2.155 0.995 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.739 1.467 -0.917 1.00 0.00 O ATOM 0 H ASP A 28 -12.423 4.068 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.630 2.212 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.751 3.523 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.435 1.896 -1.858 1.00 0.00 H new ATOM 411 N GLU A 29 -11.662 1.538 -1.619 1.00 0.00 N ATOM 412 CA GLU A 29 -10.787 0.493 -2.141 1.00 0.00 C ATOM 413 C GLU A 29 -9.338 0.971 -2.285 1.00 0.00 C ATOM 414 O GLU A 29 -9.050 1.887 -3.055 1.00 0.00 O ATOM 415 CB GLU A 29 -11.323 -0.001 -3.490 1.00 0.00 C ATOM 416 CG GLU A 29 -10.610 -1.232 -4.029 1.00 0.00 C ATOM 417 CD GLU A 29 -11.217 -1.732 -5.325 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.399 -0.914 -6.251 1.00 0.00 O ATOM 419 OE2 GLU A 29 -11.513 -2.943 -5.413 1.00 0.00 O ATOM 0 H GLU A 29 -11.624 2.425 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.783 -0.328 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.385 -0.225 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.237 0.804 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.558 -0.997 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.648 -2.026 -3.283 1.00 0.00 H new ATOM 426 N VAL A 30 -8.427 0.323 -1.552 1.00 0.00 N ATOM 427 CA VAL A 30 -7.000 0.659 -1.611 1.00 0.00 C ATOM 428 C VAL A 30 -6.195 -0.543 -2.097 1.00 0.00 C ATOM 429 O VAL A 30 -6.202 -1.594 -1.461 1.00 0.00 O ATOM 430 CB VAL A 30 -6.436 1.112 -0.241 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.012 1.624 -0.394 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.331 2.175 0.379 1.00 0.00 C ATOM 0 H VAL A 30 -8.652 -0.437 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.907 1.492 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.417 0.252 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.632 1.938 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.380 0.829 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.002 2.472 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.920 2.481 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.384 3.038 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.331 1.768 0.526 1.00 0.00 H new ATOM 442 N ARG A 31 -5.516 -0.395 -3.232 1.00 0.00 N ATOM 443 CA ARG A 31 -4.732 -1.492 -3.790 1.00 0.00 C ATOM 444 C ARG A 31 -3.246 -1.160 -3.859 1.00 0.00 C ATOM 445 O ARG A 31 -2.853 -0.074 -4.285 1.00 0.00 O ATOM 446 CB ARG A 31 -5.246 -1.860 -5.185 1.00 0.00 C ATOM 447 CG ARG A 31 -5.724 -0.669 -5.999 1.00 0.00 C ATOM 448 CD ARG A 31 -5.670 -0.956 -7.490 1.00 0.00 C ATOM 449 NE ARG A 31 -6.266 -2.249 -7.820 1.00 0.00 N ATOM 450 CZ ARG A 31 -6.395 -2.711 -9.061 1.00 0.00 C ATOM 451 NH1 ARG A 31 -5.973 -1.990 -10.092 1.00 0.00 N ATOM 452 NH2 ARG A 31 -6.948 -3.898 -9.272 1.00 0.00 N ATOM 0 H ARG A 31 -5.493 0.466 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.851 -2.344 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.451 -2.366 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.066 -2.571 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.745 -0.417 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.106 0.200 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.193 -0.167 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.633 -0.938 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.603 -2.832 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.547 -1.077 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.074 -2.349 -11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.274 -4.456 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.047 -4.253 -10.223 1.00 0.00 H new ATOM 466 N TRP A 32 -2.428 -2.128 -3.456 1.00 0.00 N ATOM 467 CA TRP A 32 -0.978 -1.989 -3.483 1.00 0.00 C ATOM 468 C TRP A 32 -0.411 -2.920 -4.547 1.00 0.00 C ATOM 469 O TRP A 32 -0.086 -4.073 -4.264 1.00 0.00 O ATOM 470 CB TRP A 32 -0.377 -2.333 -2.116 1.00 0.00 C ATOM 471 CG TRP A 32 -0.501 -1.239 -1.096 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.539 -1.028 -0.229 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.457 -0.211 -0.829 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.283 0.072 0.554 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.064 0.592 0.202 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.705 0.107 -1.367 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.624 1.694 0.706 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.386 1.201 -0.867 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.844 1.983 0.160 1.00 0.00 C ATOM 0 H TRP A 32 -2.752 -3.028 -3.103 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.722 -0.956 -3.718 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.865 -3.229 -1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.678 -2.575 -2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.429 -1.637 -0.169 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.899 0.441 1.278 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.131 -0.491 -2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.209 2.298 1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.352 1.457 -1.275 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.401 2.832 0.529 1.00 0.00 H new ATOM 490 N GLU A 33 -0.323 -2.427 -5.777 1.00 0.00 N ATOM 491 CA GLU A 33 0.172 -3.241 -6.881 1.00 0.00 C ATOM 492 C GLU A 33 1.639 -2.969 -7.186 1.00 0.00 C ATOM 493 O GLU A 33 2.102 -1.829 -7.142 1.00 0.00 O ATOM 494 CB GLU A 33 -0.669 -3.006 -8.138 1.00 0.00 C ATOM 495 CG GLU A 33 -2.138 -3.355 -7.958 1.00 0.00 C ATOM 496 CD GLU A 33 -2.971 -3.014 -9.178 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.808 -1.900 -9.717 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.787 -3.864 -9.595 1.00 0.00 O ATOM 0 H GLU A 33 -0.586 -1.475 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 33 0.085 -4.283 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.585 -1.959 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.260 -3.600 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.231 -4.420 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.531 -2.821 -7.093 1.00 0.00 H new ATOM 505 N ARG A 34 2.356 -4.038 -7.514 1.00 0.00 N ATOM 506 CA ARG A 34 3.768 -3.954 -7.854 1.00 0.00 C ATOM 507 C ARG A 34 4.027 -4.735 -9.136 1.00 0.00 C ATOM 508 O ARG A 34 3.851 -5.954 -9.174 1.00 0.00 O ATOM 509 CB ARG A 34 4.627 -4.508 -6.716 1.00 0.00 C ATOM 510 CG ARG A 34 6.107 -4.196 -6.859 1.00 0.00 C ATOM 511 CD ARG A 34 6.937 -4.971 -5.850 1.00 0.00 C ATOM 512 NE ARG A 34 6.800 -6.416 -6.023 1.00 0.00 N ATOM 513 CZ ARG A 34 7.031 -7.305 -5.059 1.00 0.00 C ATOM 514 NH1 ARG A 34 7.416 -6.905 -3.853 1.00 0.00 N ATOM 515 NH2 ARG A 34 6.879 -8.599 -5.304 1.00 0.00 N ATOM 0 H ARG A 34 1.975 -4.983 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 34 4.036 -2.909 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.269 -4.100 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.496 -5.589 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.436 -4.442 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.270 -3.127 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.986 -4.691 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.631 -4.696 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 34 6.510 -6.764 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.537 -5.911 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.591 -7.592 -3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.586 -8.912 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.055 -9.282 -4.567 1.00 0.00 H new ATOM 529 N GLY A 35 4.421 -4.031 -10.192 1.00 0.00 N ATOM 530 CA GLY A 35 4.666 -4.694 -11.457 1.00 0.00 C ATOM 531 C GLY A 35 3.438 -5.426 -11.950 1.00 0.00 C ATOM 532 O GLY A 35 2.421 -4.812 -12.268 1.00 0.00 O ATOM 0 H GLY A 35 4.574 -3.022 -10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.974 -3.958 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.490 -5.399 -11.345 1.00 0.00 H new ATOM 536 N SER A 36 3.534 -6.744 -12.000 1.00 0.00 N ATOM 537 CA SER A 36 2.423 -7.578 -12.441 1.00 0.00 C ATOM 538 C SER A 36 1.977 -8.517 -11.322 1.00 0.00 C ATOM 539 O SER A 36 1.745 -9.705 -11.552 1.00 0.00 O ATOM 540 CB SER A 36 2.823 -8.386 -13.676 1.00 0.00 C ATOM 541 OG SER A 36 1.685 -8.933 -14.320 1.00 0.00 O ATOM 0 H SER A 36 4.372 -7.263 -11.740 1.00 0.00 H new ATOM 0 HA SER A 36 1.588 -6.927 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.366 -7.747 -14.372 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.501 -9.189 -13.385 1.00 0.00 H new ATOM 0 HG SER A 36 1.209 -9.523 -13.699 1.00 0.00 H new ATOM 547 N THR A 37 1.867 -7.981 -10.107 1.00 0.00 N ATOM 548 CA THR A 37 1.458 -8.782 -8.956 1.00 0.00 C ATOM 549 C THR A 37 0.821 -7.913 -7.872 1.00 0.00 C ATOM 550 O THR A 37 1.044 -6.704 -7.819 1.00 0.00 O ATOM 551 CB THR A 37 2.673 -9.517 -8.383 1.00 0.00 C ATOM 552 OG1 THR A 37 3.185 -10.446 -9.322 1.00 0.00 O ATOM 553 CG2 THR A 37 2.382 -10.274 -7.103 1.00 0.00 C ATOM 0 H THR A 37 2.054 -7.001 -9.896 1.00 0.00 H new ATOM 0 HA THR A 37 0.713 -9.504 -9.291 1.00 0.00 H new ATOM 0 HB THR A 37 3.397 -8.733 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.962 -10.904 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.290 -10.768 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.036 -9.578 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.611 -11.021 -7.290 1.00 0.00 H new ATOM 561 N LEU A 38 0.047 -8.548 -6.993 1.00 0.00 N ATOM 562 CA LEU A 38 -0.601 -7.841 -5.891 1.00 0.00 C ATOM 563 C LEU A 38 0.203 -8.029 -4.615 1.00 0.00 C ATOM 564 O LEU A 38 0.826 -9.071 -4.411 1.00 0.00 O ATOM 565 CB LEU A 38 -2.030 -8.349 -5.658 1.00 0.00 C ATOM 566 CG LEU A 38 -3.154 -7.427 -6.138 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.500 -7.983 -5.699 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.954 -6.018 -5.597 1.00 0.00 C ATOM 0 H LEU A 38 -0.146 -9.549 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.647 -6.785 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.138 -9.312 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.162 -8.526 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.132 -7.379 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.296 -7.323 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.641 -8.975 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.529 -8.050 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.762 -5.376 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.957 -6.043 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.000 -5.625 -5.948 1.00 0.00 H new ATOM 580 N VAL A 39 0.177 -7.026 -3.756 1.00 0.00 N ATOM 581 CA VAL A 39 0.895 -7.090 -2.498 1.00 0.00 C ATOM 582 C VAL A 39 -0.073 -6.967 -1.325 1.00 0.00 C ATOM 583 O VAL A 39 0.040 -7.687 -0.332 1.00 0.00 O ATOM 584 CB VAL A 39 1.970 -5.985 -2.418 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.521 -5.868 -1.006 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.091 -6.266 -3.412 1.00 0.00 C ATOM 0 H VAL A 39 -0.335 -6.157 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 39 1.394 -8.058 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 39 1.506 -5.034 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.277 -5.083 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.712 -5.621 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.970 -6.816 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.842 -5.479 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.550 -7.227 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.683 -6.293 -4.422 1.00 0.00 H new ATOM 596 N ALA A 40 -1.029 -6.054 -1.453 1.00 0.00 N ATOM 597 CA ALA A 40 -2.022 -5.837 -0.407 1.00 0.00 C ATOM 598 C ALA A 40 -3.102 -4.856 -0.849 1.00 0.00 C ATOM 599 O ALA A 40 -2.832 -3.676 -1.063 1.00 0.00 O ATOM 600 CB ALA A 40 -1.348 -5.329 0.858 1.00 0.00 C ATOM 0 H ALA A 40 -1.138 -5.453 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.502 -6.794 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.099 -5.171 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.621 -6.064 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.840 -4.388 0.647 1.00 0.00 H new ATOM 606 N GLU A 41 -4.331 -5.346 -0.975 1.00 0.00 N ATOM 607 CA GLU A 41 -5.444 -4.504 -1.382 1.00 0.00 C ATOM 608 C GLU A 41 -6.581 -4.571 -0.361 1.00 0.00 C ATOM 609 O GLU A 41 -6.702 -5.536 0.393 1.00 0.00 O ATOM 610 CB GLU A 41 -5.940 -4.916 -2.772 1.00 0.00 C ATOM 611 CG GLU A 41 -7.142 -5.845 -2.745 1.00 0.00 C ATOM 612 CD GLU A 41 -7.211 -6.751 -3.959 1.00 0.00 C ATOM 613 OE1 GLU A 41 -7.038 -6.245 -5.088 1.00 0.00 O ATOM 614 OE2 GLU A 41 -7.441 -7.966 -3.782 1.00 0.00 O ATOM 0 H GLU A 41 -4.578 -6.320 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.095 -3.472 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.198 -4.019 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.126 -5.406 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.103 -6.456 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.054 -5.251 -2.689 1.00 0.00 H new ATOM 621 N PHE A 42 -7.405 -3.532 -0.349 1.00 0.00 N ATOM 622 CA PHE A 42 -8.529 -3.440 0.562 1.00 0.00 C ATOM 623 C PHE A 42 -9.812 -3.101 -0.194 1.00 0.00 C ATOM 624 O PHE A 42 -9.791 -2.341 -1.161 1.00 0.00 O ATOM 625 CB PHE A 42 -8.244 -2.367 1.603 1.00 0.00 C ATOM 626 CG PHE A 42 -9.366 -2.157 2.577 1.00 0.00 C ATOM 627 CD1 PHE A 42 -10.411 -1.303 2.264 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.382 -2.811 3.798 1.00 0.00 C ATOM 629 CE1 PHE A 42 -11.451 -1.103 3.148 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.421 -2.615 4.689 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.458 -1.759 4.363 1.00 0.00 C ATOM 0 H PHE A 42 -7.310 -2.730 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.666 -4.404 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.343 -2.638 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.036 -1.426 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.411 -0.787 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.575 -3.481 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.259 -0.434 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.423 -3.130 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.271 -1.604 5.057 1.00 0.00 H new ATOM 641 N LYS A 43 -10.925 -3.665 0.261 1.00 0.00 N ATOM 642 CA LYS A 43 -12.218 -3.420 -0.367 1.00 0.00 C ATOM 643 C LYS A 43 -13.340 -3.508 0.661 1.00 0.00 C ATOM 644 O LYS A 43 -13.601 -4.575 1.218 1.00 0.00 O ATOM 645 CB LYS A 43 -12.461 -4.425 -1.495 1.00 0.00 C ATOM 646 CG LYS A 43 -13.095 -3.810 -2.732 1.00 0.00 C ATOM 647 CD LYS A 43 -14.548 -3.436 -2.486 1.00 0.00 C ATOM 648 CE LYS A 43 -14.910 -2.129 -3.172 1.00 0.00 C ATOM 649 NZ LYS A 43 -16.344 -1.778 -2.976 1.00 0.00 N ATOM 0 H LYS A 43 -10.958 -4.295 1.062 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.209 -2.414 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.512 -4.883 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.104 -5.224 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.535 -2.923 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.035 -4.515 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.197 -4.232 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.726 -3.347 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.283 -1.328 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.698 -2.208 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.539 -0.856 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.943 -2.505 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.553 -1.728 -1.958 1.00 0.00 H new ATOM 663 N ARG A 44 -14.002 -2.380 0.913 1.00 0.00 N ATOM 664 CA ARG A 44 -15.095 -2.336 1.879 1.00 0.00 C ATOM 665 C ARG A 44 -16.119 -3.417 1.594 1.00 0.00 C ATOM 666 O ARG A 44 -16.384 -4.291 2.419 1.00 0.00 O ATOM 667 CB ARG A 44 -15.758 -0.955 1.875 1.00 0.00 C ATOM 668 CG ARG A 44 -16.973 -0.854 2.784 1.00 0.00 C ATOM 669 CD ARG A 44 -17.079 0.522 3.422 1.00 0.00 C ATOM 670 NE ARG A 44 -15.909 0.839 4.236 1.00 0.00 N ATOM 671 CZ ARG A 44 -15.830 1.896 5.042 1.00 0.00 C ATOM 672 NH1 ARG A 44 -16.851 2.738 5.144 1.00 0.00 N ATOM 673 NH2 ARG A 44 -14.729 2.111 5.747 1.00 0.00 N ATOM 0 H ARG A 44 -13.800 -1.487 0.462 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.678 -2.520 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.024 -0.209 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.057 -0.709 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.876 -1.061 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.910 -1.614 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.193 1.275 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.975 0.566 4.042 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.105 0.214 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.701 2.577 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.786 3.546 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.942 1.467 5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.669 2.921 6.364 1.00 0.00 H new ATOM 687 N LYS A 45 -16.668 -3.346 0.414 1.00 0.00 N ATOM 688 CA LYS A 45 -17.668 -4.306 -0.039 1.00 0.00 C ATOM 689 C LYS A 45 -17.003 -5.570 -0.577 1.00 0.00 C ATOM 690 O LYS A 45 -17.355 -6.059 -1.651 1.00 0.00 O ATOM 691 CB LYS A 45 -18.555 -3.680 -1.118 1.00 0.00 C ATOM 692 CG LYS A 45 -19.488 -2.603 -0.588 1.00 0.00 C ATOM 693 CD LYS A 45 -20.542 -3.186 0.339 1.00 0.00 C ATOM 694 CE LYS A 45 -20.155 -3.016 1.799 1.00 0.00 C ATOM 695 NZ LYS A 45 -21.343 -2.782 2.666 1.00 0.00 N ATOM 0 H LYS A 45 -16.443 -2.625 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.288 -4.579 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.921 -3.251 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.148 -4.464 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -18.909 -1.849 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.975 -2.099 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.499 -2.698 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.677 -4.245 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.627 -3.906 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.464 -2.178 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.036 -2.671 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.834 -1.919 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.991 -3.593 2.594 1.00 0.00 H new ATOM 709 N MET A 46 -16.036 -6.092 0.174 1.00 0.00 N ATOM 710 CA MET A 46 -15.319 -7.293 -0.228 1.00 0.00 C ATOM 711 C MET A 46 -14.234 -7.643 0.787 1.00 0.00 C ATOM 712 O MET A 46 -14.146 -7.032 1.853 1.00 0.00 O ATOM 713 CB MET A 46 -14.697 -7.094 -1.609 1.00 0.00 C ATOM 714 CG MET A 46 -15.321 -7.965 -2.684 1.00 0.00 C ATOM 715 SD MET A 46 -14.291 -9.377 -3.125 1.00 0.00 S ATOM 716 CE MET A 46 -14.852 -10.591 -1.934 1.00 0.00 C ATOM 0 H MET A 46 -15.733 -5.699 1.065 1.00 0.00 H new ATOM 0 HA MET A 46 -16.030 -8.118 -0.270 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.797 -6.047 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 46 -13.630 -7.308 -1.553 1.00 0.00 H new ATOM 0 HG2 MET A 46 -16.291 -8.323 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.503 -7.362 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.995 -10.997 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 46 -15.534 -10.119 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 46 -15.370 -11.398 -2.453 1.00 0.00 H new ATOM 726 N LYS A 47 -13.407 -8.628 0.447 1.00 0.00 N ATOM 727 CA LYS A 47 -12.326 -9.057 1.327 1.00 0.00 C ATOM 728 C LYS A 47 -10.971 -8.621 0.771 1.00 0.00 C ATOM 729 O LYS A 47 -10.754 -8.643 -0.440 1.00 0.00 O ATOM 730 CB LYS A 47 -12.354 -10.576 1.501 1.00 0.00 C ATOM 731 CG LYS A 47 -13.206 -11.039 2.672 1.00 0.00 C ATOM 732 CD LYS A 47 -12.618 -12.273 3.336 1.00 0.00 C ATOM 733 CE LYS A 47 -12.967 -12.331 4.814 1.00 0.00 C ATOM 734 NZ LYS A 47 -14.199 -13.128 5.064 1.00 0.00 N ATOM 0 H LYS A 47 -13.465 -9.143 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.471 -8.586 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.732 -11.031 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.335 -10.936 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.288 -10.235 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.216 -11.258 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.991 -13.168 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.535 -12.270 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.135 -12.767 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.106 -11.319 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.402 -13.143 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.999 -12.698 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.058 -14.101 4.725 1.00 0.00 H new ATOM 748 N PRO A 48 -10.038 -8.215 1.651 1.00 0.00 N ATOM 749 CA PRO A 48 -8.704 -7.771 1.236 1.00 0.00 C ATOM 750 C PRO A 48 -7.811 -8.931 0.804 1.00 0.00 C ATOM 751 O PRO A 48 -8.001 -10.069 1.233 1.00 0.00 O ATOM 752 CB PRO A 48 -8.148 -7.108 2.495 1.00 0.00 C ATOM 753 CG PRO A 48 -8.838 -7.795 3.621 1.00 0.00 C ATOM 754 CD PRO A 48 -10.211 -8.153 3.115 1.00 0.00 C ATOM 0 HA PRO A 48 -8.745 -7.110 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.067 -7.228 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.351 -6.037 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.291 -8.687 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.902 -7.145 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.551 -9.107 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.951 -7.405 3.400 1.00 0.00 H new ATOM 762 N PHE A 49 -6.835 -8.629 -0.047 1.00 0.00 N ATOM 763 CA PHE A 49 -5.906 -9.644 -0.539 1.00 0.00 C ATOM 764 C PHE A 49 -4.495 -9.399 -0.015 1.00 0.00 C ATOM 765 O PHE A 49 -3.780 -8.529 -0.512 1.00 0.00 O ATOM 766 CB PHE A 49 -5.889 -9.661 -2.074 1.00 0.00 C ATOM 767 CG PHE A 49 -4.760 -10.470 -2.654 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.907 -11.830 -2.876 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.549 -9.871 -2.971 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.870 -12.576 -3.404 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.510 -10.613 -3.496 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.670 -11.966 -3.713 1.00 0.00 C ATOM 0 H PHE A 49 -6.666 -7.691 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.250 -10.611 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.836 -10.062 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.817 -8.637 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.842 -12.312 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.418 -8.812 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.998 -13.635 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.572 -10.134 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.858 -12.547 -4.124 1.00 0.00 H new ATOM 782 N LEU A 50 -4.093 -10.181 0.980 1.00 0.00 N ATOM 783 CA LEU A 50 -2.765 -10.057 1.557 1.00 0.00 C ATOM 784 C LEU A 50 -1.801 -11.026 0.875 1.00 0.00 C ATOM 785 O LEU A 50 -1.944 -12.242 0.999 1.00 0.00 O ATOM 786 CB LEU A 50 -2.815 -10.339 3.061 1.00 0.00 C ATOM 787 CG LEU A 50 -2.912 -9.101 3.954 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.862 -9.493 5.422 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.796 -8.122 3.625 1.00 0.00 C ATOM 0 H LEU A 50 -4.670 -10.908 1.403 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.410 -9.039 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.671 -10.982 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.922 -10.899 3.339 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.868 -8.613 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.932 -8.598 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.695 -10.158 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.922 -10.005 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.879 -7.246 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.831 -8.602 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.877 -7.815 2.582 1.00 0.00 H new ATOM 801 N LYS A 51 -0.824 -10.486 0.147 1.00 0.00 N ATOM 802 CA LYS A 51 0.151 -11.316 -0.558 1.00 0.00 C ATOM 803 C LYS A 51 0.718 -12.402 0.352 1.00 0.00 C ATOM 804 O LYS A 51 0.824 -13.563 -0.044 1.00 0.00 O ATOM 805 CB LYS A 51 1.286 -10.449 -1.106 1.00 0.00 C ATOM 806 CG LYS A 51 2.365 -11.240 -1.829 1.00 0.00 C ATOM 807 CD LYS A 51 3.352 -10.322 -2.531 1.00 0.00 C ATOM 808 CE LYS A 51 3.845 -10.928 -3.835 1.00 0.00 C ATOM 809 NZ LYS A 51 4.623 -9.950 -4.644 1.00 0.00 N ATOM 0 H LYS A 51 -0.687 -9.482 0.030 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.363 -11.803 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.869 -9.710 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.741 -9.899 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.896 -11.869 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.903 -11.905 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.878 -9.361 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.200 -10.128 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.467 -11.797 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.993 -11.283 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.300 -10.459 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.974 -9.399 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.139 -9.308 -4.010 1.00 0.00 H new ATOM 823 N SER A 52 1.081 -12.021 1.573 1.00 0.00 N ATOM 824 CA SER A 52 1.636 -12.970 2.531 1.00 0.00 C ATOM 825 C SER A 52 1.862 -12.314 3.889 1.00 0.00 C ATOM 826 O SER A 52 1.841 -11.089 4.011 1.00 0.00 O ATOM 827 CB SER A 52 2.952 -13.546 2.005 1.00 0.00 C ATOM 828 OG SER A 52 3.957 -12.548 1.944 1.00 0.00 O ATOM 0 H SER A 52 1.001 -11.066 1.921 1.00 0.00 H new ATOM 0 HA SER A 52 0.916 -13.778 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.281 -14.359 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.796 -13.971 1.013 1.00 0.00 H new ATOM 0 HG SER A 52 4.789 -12.941 1.606 1.00 0.00 H new ATOM 834 N GLY A 53 2.070 -13.142 4.909 1.00 0.00 N ATOM 835 CA GLY A 53 2.291 -12.624 6.257 1.00 0.00 C ATOM 836 C GLY A 53 3.437 -11.620 6.335 1.00 0.00 C ATOM 837 O GLY A 53 3.589 -10.940 7.349 1.00 0.00 O ATOM 0 H GLY A 53 2.090 -14.159 4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.376 -12.149 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.499 -13.456 6.929 1.00 0.00 H new ATOM 841 N ALA A 54 4.252 -11.520 5.275 1.00 0.00 N ATOM 842 CA ALA A 54 5.377 -10.589 5.272 1.00 0.00 C ATOM 843 C ALA A 54 4.921 -9.139 5.130 1.00 0.00 C ATOM 844 O ALA A 54 5.742 -8.221 5.142 1.00 0.00 O ATOM 845 CB ALA A 54 6.353 -10.948 4.162 1.00 0.00 C ATOM 0 H ALA A 54 4.151 -12.068 4.421 1.00 0.00 H new ATOM 0 HA ALA A 54 5.879 -10.678 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.187 -10.247 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.728 -11.959 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.844 -10.896 3.199 1.00 0.00 H new ATOM 851 N PHE A 55 3.616 -8.933 5.002 1.00 0.00 N ATOM 852 CA PHE A 55 3.067 -7.589 4.866 1.00 0.00 C ATOM 853 C PHE A 55 1.901 -7.371 5.821 1.00 0.00 C ATOM 854 O PHE A 55 1.251 -8.321 6.257 1.00 0.00 O ATOM 855 CB PHE A 55 2.596 -7.336 3.434 1.00 0.00 C ATOM 856 CG PHE A 55 3.651 -7.571 2.395 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.635 -6.625 2.175 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.651 -8.726 1.632 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.605 -6.824 1.212 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.619 -8.935 0.668 1.00 0.00 C ATOM 861 CZ PHE A 55 5.598 -7.982 0.457 1.00 0.00 C ATOM 0 H PHE A 55 2.919 -9.678 4.989 1.00 0.00 H new ATOM 0 HA PHE A 55 3.864 -6.888 5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.743 -7.981 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.245 -6.307 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.645 -5.719 2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.886 -9.472 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.367 -6.076 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.611 -9.841 0.081 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.356 -8.142 -0.296 1.00 0.00 H new ATOM 871 N GLU A 56 1.640 -6.109 6.129 1.00 0.00 N ATOM 872 CA GLU A 56 0.548 -5.743 7.018 1.00 0.00 C ATOM 873 C GLU A 56 0.027 -4.356 6.665 1.00 0.00 C ATOM 874 O GLU A 56 0.767 -3.372 6.719 1.00 0.00 O ATOM 875 CB GLU A 56 1.010 -5.778 8.476 1.00 0.00 C ATOM 876 CG GLU A 56 1.001 -7.171 9.083 1.00 0.00 C ATOM 877 CD GLU A 56 2.388 -7.780 9.164 1.00 0.00 C ATOM 878 OE1 GLU A 56 3.358 -7.022 9.368 1.00 0.00 O ATOM 879 OE2 GLU A 56 2.502 -9.016 9.022 1.00 0.00 O ATOM 0 H GLU A 56 2.174 -5.316 5.773 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.259 -6.465 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.019 -5.370 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.366 -5.128 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.569 -7.125 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.358 -7.819 8.487 1.00 0.00 H new ATOM 886 N ILE A 57 -1.247 -4.282 6.294 1.00 0.00 N ATOM 887 CA ILE A 57 -1.855 -3.011 5.925 1.00 0.00 C ATOM 888 C ILE A 57 -2.124 -2.149 7.156 1.00 0.00 C ATOM 889 O ILE A 57 -3.067 -2.392 7.909 1.00 0.00 O ATOM 890 CB ILE A 57 -3.167 -3.214 5.134 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.663 -1.875 4.586 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.232 -3.870 6.004 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.337 -1.988 3.236 1.00 0.00 C ATOM 0 H ILE A 57 -1.875 -5.084 6.241 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.142 -2.495 5.282 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.965 -3.881 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.363 -1.437 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.820 -1.189 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.145 -4.002 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.875 -4.842 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.438 -3.236 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.663 -1.001 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.633 -2.396 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.201 -2.648 3.315 1.00 0.00 H new ATOM 905 N LEU A 58 -1.280 -1.142 7.352 1.00 0.00 N ATOM 906 CA LEU A 58 -1.410 -0.235 8.489 1.00 0.00 C ATOM 907 C LEU A 58 -2.824 0.333 8.587 1.00 0.00 C ATOM 908 O LEU A 58 -3.653 0.120 7.702 1.00 0.00 O ATOM 909 CB LEU A 58 -0.395 0.904 8.366 1.00 0.00 C ATOM 910 CG LEU A 58 0.648 0.975 9.483 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.249 -0.396 9.752 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.737 1.974 9.119 1.00 0.00 C ATOM 0 H LEU A 58 -0.495 -0.932 6.736 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.211 -0.802 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.124 0.804 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.937 1.849 8.337 1.00 0.00 H new ATOM 0 HG LEU A 58 0.154 1.310 10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.988 -0.319 10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.461 -1.086 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.730 -0.766 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.474 2.017 9.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.223 1.661 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.294 2.960 8.980 1.00 0.00 H new ATOM 924 N ALA A 59 -3.088 1.058 9.670 1.00 0.00 N ATOM 925 CA ALA A 59 -4.398 1.660 9.888 1.00 0.00 C ATOM 926 C ALA A 59 -4.689 2.746 8.856 1.00 0.00 C ATOM 927 O ALA A 59 -5.847 3.024 8.547 1.00 0.00 O ATOM 928 CB ALA A 59 -4.487 2.229 11.296 1.00 0.00 C ATOM 0 H ALA A 59 -2.411 1.243 10.410 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.151 0.880 9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.470 2.676 11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.337 1.430 12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.718 2.990 11.430 1.00 0.00 H new ATOM 934 N ASN A 60 -3.633 3.359 8.327 1.00 0.00 N ATOM 935 CA ASN A 60 -3.785 4.414 7.331 1.00 0.00 C ATOM 936 C ASN A 60 -3.646 3.857 5.917 1.00 0.00 C ATOM 937 O ASN A 60 -3.162 4.541 5.014 1.00 0.00 O ATOM 938 CB ASN A 60 -2.751 5.521 7.567 1.00 0.00 C ATOM 939 CG ASN A 60 -1.338 5.096 7.204 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.711 4.310 7.914 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.831 5.620 6.095 1.00 0.00 N ATOM 0 H ASN A 60 -2.666 3.144 8.571 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.785 4.835 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.024 6.398 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.778 5.819 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.114 5.375 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.387 6.268 5.537 1.00 0.00 H new ATOM 948 N GLY A 61 -4.074 2.612 5.730 1.00 0.00 N ATOM 949 CA GLY A 61 -3.989 1.987 4.423 1.00 0.00 C ATOM 950 C GLY A 61 -2.569 1.942 3.893 1.00 0.00 C ATOM 951 O GLY A 61 -2.354 1.912 2.680 1.00 0.00 O ATOM 0 H GLY A 61 -4.478 2.025 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.384 0.973 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.619 2.533 3.721 1.00 0.00 H new ATOM 955 N ASP A 62 -1.599 1.939 4.800 1.00 0.00 N ATOM 956 CA ASP A 62 -0.192 1.899 4.412 1.00 0.00 C ATOM 957 C ASP A 62 0.301 0.460 4.286 1.00 0.00 C ATOM 958 O ASP A 62 -0.417 -0.485 4.614 1.00 0.00 O ATOM 959 CB ASP A 62 0.668 2.657 5.426 1.00 0.00 C ATOM 960 CG ASP A 62 1.818 3.390 4.767 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.562 4.410 4.095 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.975 2.944 4.923 1.00 0.00 O ATOM 0 H ASP A 62 -1.759 1.964 5.807 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.101 2.382 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.046 3.371 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.061 1.956 6.163 1.00 0.00 H new ATOM 967 N LEU A 63 1.532 0.302 3.808 1.00 0.00 N ATOM 968 CA LEU A 63 2.125 -1.028 3.638 1.00 0.00 C ATOM 969 C LEU A 63 3.242 -1.252 4.652 1.00 0.00 C ATOM 970 O LEU A 63 4.242 -0.534 4.653 1.00 0.00 O ATOM 971 CB LEU A 63 2.686 -1.181 2.225 1.00 0.00 C ATOM 972 CG LEU A 63 3.005 -2.616 1.803 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.760 -3.314 1.282 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.100 -2.620 0.749 1.00 0.00 C ATOM 0 H LEU A 63 2.139 1.073 3.531 1.00 0.00 H new ATOM 0 HA LEU A 63 1.343 -1.770 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.968 -0.763 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.595 -0.585 2.146 1.00 0.00 H new ATOM 0 HG LEU A 63 3.358 -3.163 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.011 -4.333 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.002 -3.338 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.373 -2.772 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.319 -3.647 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.768 -2.057 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.000 -2.159 1.157 1.00 0.00 H new ATOM 986 N LYS A 64 3.073 -2.252 5.514 1.00 0.00 N ATOM 987 CA LYS A 64 4.078 -2.557 6.524 1.00 0.00 C ATOM 988 C LYS A 64 4.838 -3.831 6.170 1.00 0.00 C ATOM 989 O LYS A 64 4.294 -4.933 6.249 1.00 0.00 O ATOM 990 CB LYS A 64 3.422 -2.706 7.898 1.00 0.00 C ATOM 991 CG LYS A 64 4.412 -2.990 9.017 1.00 0.00 C ATOM 992 CD LYS A 64 3.898 -2.483 10.356 1.00 0.00 C ATOM 993 CE LYS A 64 4.481 -3.279 11.513 1.00 0.00 C ATOM 994 NZ LYS A 64 5.694 -2.627 12.079 1.00 0.00 N ATOM 0 H LYS A 64 2.254 -2.860 5.532 1.00 0.00 H new ATOM 0 HA LYS A 64 4.787 -1.730 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.875 -1.793 8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.691 -3.514 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.595 -4.063 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.367 -2.516 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.155 -1.430 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.810 -2.550 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.729 -3.388 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.734 -4.283 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.061 -3.200 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.421 -2.546 11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.448 -1.679 12.428 1.00 0.00 H new ATOM 1008 N ILE A 65 6.100 -3.671 5.781 1.00 0.00 N ATOM 1009 CA ILE A 65 6.941 -4.806 5.417 1.00 0.00 C ATOM 1010 C ILE A 65 7.637 -5.372 6.653 1.00 0.00 C ATOM 1011 O ILE A 65 8.142 -4.620 7.488 1.00 0.00 O ATOM 1012 CB ILE A 65 8.001 -4.409 4.369 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.414 -3.392 3.376 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.517 -5.649 3.648 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.296 -3.122 2.173 1.00 0.00 C ATOM 0 H ILE A 65 6.563 -2.765 5.710 1.00 0.00 H new ATOM 0 HA ILE A 65 6.293 -5.567 4.983 1.00 0.00 H new ATOM 0 HB ILE A 65 8.843 -3.937 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.447 -3.755 3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.233 -2.453 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.265 -5.356 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.967 -6.329 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.689 -6.149 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.811 -2.395 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.256 -2.727 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.457 -4.050 1.624 1.00 0.00 H new ATOM 1027 N LYS A 66 7.650 -6.697 6.778 1.00 0.00 N ATOM 1028 CA LYS A 66 8.272 -7.351 7.929 1.00 0.00 C ATOM 1029 C LYS A 66 9.779 -7.495 7.753 1.00 0.00 C ATOM 1030 O LYS A 66 10.555 -7.199 8.661 1.00 0.00 O ATOM 1031 CB LYS A 66 7.641 -8.726 8.163 1.00 0.00 C ATOM 1032 CG LYS A 66 8.222 -9.468 9.356 1.00 0.00 C ATOM 1033 CD LYS A 66 7.865 -10.946 9.320 1.00 0.00 C ATOM 1034 CE LYS A 66 9.002 -11.780 8.752 1.00 0.00 C ATOM 1035 NZ LYS A 66 10.169 -11.830 9.675 1.00 0.00 N ATOM 0 H LYS A 66 7.239 -7.338 6.099 1.00 0.00 H new ATOM 0 HA LYS A 66 8.096 -6.718 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.568 -8.604 8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.773 -9.334 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.306 -9.354 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.848 -9.025 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.629 -11.289 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.969 -11.090 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.648 -12.793 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.314 -11.364 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.757 -12.657 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.734 -10.963 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.833 -11.905 10.656 1.00 0.00 H new ATOM 1049 N ASN A 67 10.179 -7.952 6.581 1.00 0.00 N ATOM 1050 CA ASN A 67 11.587 -8.146 6.267 1.00 0.00 C ATOM 1051 C ASN A 67 11.842 -7.846 4.797 1.00 0.00 C ATOM 1052 O ASN A 67 11.374 -8.566 3.914 1.00 0.00 O ATOM 1053 CB ASN A 67 12.015 -9.579 6.596 1.00 0.00 C ATOM 1054 CG ASN A 67 13.012 -9.636 7.737 1.00 0.00 C ATOM 1055 OD1 ASN A 67 14.044 -10.457 7.580 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 12.858 -8.950 8.747 1.00 0.00 N flip ATOM 0 H ASN A 67 9.543 -8.199 5.822 1.00 0.00 H new ATOM 0 HA ASN A 67 12.177 -7.459 6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.135 -10.168 6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.454 -10.037 5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.050 -8.332 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.538 -8.999 9.505 1.00 0.00 H new ATOM 1063 N LEU A 68 12.574 -6.771 4.539 1.00 0.00 N ATOM 1064 CA LEU A 68 12.878 -6.364 3.176 1.00 0.00 C ATOM 1065 C LEU A 68 13.506 -7.494 2.374 1.00 0.00 C ATOM 1066 O LEU A 68 14.174 -8.372 2.921 1.00 0.00 O ATOM 1067 CB LEU A 68 13.791 -5.145 3.190 1.00 0.00 C ATOM 1068 CG LEU A 68 13.073 -3.839 3.510 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.982 -2.898 4.282 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.570 -3.185 2.234 1.00 0.00 C ATOM 0 H LEU A 68 12.969 -6.165 5.258 1.00 0.00 H new ATOM 0 HA LEU A 68 11.939 -6.104 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.581 -5.303 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.274 -5.054 2.217 1.00 0.00 H new ATOM 0 HG LEU A 68 12.213 -4.064 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.448 -1.973 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.285 -3.370 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.866 -2.675 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.060 -2.254 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.413 -2.974 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.876 -3.857 1.730 1.00 0.00 H new ATOM 1082 N THR A 69 13.274 -7.458 1.069 1.00 0.00 N ATOM 1083 CA THR A 69 13.798 -8.473 0.160 1.00 0.00 C ATOM 1084 C THR A 69 13.950 -7.911 -1.251 1.00 0.00 C ATOM 1085 O THR A 69 13.365 -6.881 -1.587 1.00 0.00 O ATOM 1086 CB THR A 69 12.878 -9.692 0.142 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.518 -9.296 0.098 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.056 -10.591 1.345 1.00 0.00 C ATOM 0 H THR A 69 12.722 -6.732 0.612 1.00 0.00 H new ATOM 0 HA THR A 69 14.782 -8.776 0.518 1.00 0.00 H new ATOM 0 HB THR A 69 13.154 -10.249 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.946 -10.092 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.373 -11.438 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.083 -10.955 1.379 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.840 -10.030 2.254 1.00 0.00 H new ATOM 1096 N ARG A 70 14.739 -8.597 -2.074 1.00 0.00 N ATOM 1097 CA ARG A 70 14.973 -8.165 -3.454 1.00 0.00 C ATOM 1098 C ARG A 70 13.655 -7.890 -4.173 1.00 0.00 C ATOM 1099 O ARG A 70 13.433 -6.793 -4.686 1.00 0.00 O ATOM 1100 CB ARG A 70 15.770 -9.224 -4.228 1.00 0.00 C ATOM 1101 CG ARG A 70 16.841 -9.930 -3.405 1.00 0.00 C ATOM 1102 CD ARG A 70 16.417 -11.341 -3.032 1.00 0.00 C ATOM 1103 NE ARG A 70 17.565 -12.207 -2.771 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.468 -13.511 -2.520 1.00 0.00 C ATOM 1105 NH1 ARG A 70 16.281 -14.103 -2.496 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.562 -14.224 -2.295 1.00 0.00 N ATOM 0 H ARG A 70 15.228 -9.453 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 70 15.551 -7.242 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.077 -9.970 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.243 -8.749 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.772 -9.966 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.041 -9.358 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.781 -11.306 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.819 -11.765 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 70 18.495 -11.788 -2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.436 -13.559 -2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.213 -15.102 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.477 -13.774 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.489 -15.223 -2.103 1.00 0.00 H new ATOM 1120 N ASP A 71 12.783 -8.892 -4.205 1.00 0.00 N ATOM 1121 CA ASP A 71 11.487 -8.759 -4.861 1.00 0.00 C ATOM 1122 C ASP A 71 10.687 -7.594 -4.280 1.00 0.00 C ATOM 1123 O ASP A 71 9.769 -7.083 -4.921 1.00 0.00 O ATOM 1124 CB ASP A 71 10.688 -10.058 -4.726 1.00 0.00 C ATOM 1125 CG ASP A 71 9.356 -9.996 -5.447 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.221 -9.173 -6.377 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.447 -10.770 -5.081 1.00 0.00 O ATOM 0 H ASP A 71 12.950 -9.806 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 71 11.667 -8.555 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.275 -10.885 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.517 -10.268 -3.670 1.00 0.00 H new ATOM 1132 N ASP A 72 11.036 -7.177 -3.064 1.00 0.00 N ATOM 1133 CA ASP A 72 10.341 -6.074 -2.410 1.00 0.00 C ATOM 1134 C ASP A 72 10.947 -4.725 -2.796 1.00 0.00 C ATOM 1135 O ASP A 72 10.340 -3.679 -2.572 1.00 0.00 O ATOM 1136 CB ASP A 72 10.376 -6.252 -0.891 1.00 0.00 C ATOM 1137 CG ASP A 72 8.993 -6.218 -0.271 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.499 -5.108 0.017 1.00 0.00 O ATOM 1139 OD2 ASP A 72 8.405 -7.301 -0.072 1.00 0.00 O ATOM 0 H ASP A 72 11.793 -7.585 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 72 9.305 -6.086 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.855 -7.201 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.988 -5.465 -0.450 1.00 0.00 H new ATOM 1144 N SER A 73 12.142 -4.752 -3.377 1.00 0.00 N ATOM 1145 CA SER A 73 12.813 -3.525 -3.793 1.00 0.00 C ATOM 1146 C SER A 73 12.454 -3.179 -5.234 1.00 0.00 C ATOM 1147 O SER A 73 12.545 -4.025 -6.124 1.00 0.00 O ATOM 1148 CB SER A 73 14.330 -3.675 -3.654 1.00 0.00 C ATOM 1149 OG SER A 73 14.966 -2.409 -3.621 1.00 0.00 O ATOM 0 H SER A 73 12.664 -5.607 -3.570 1.00 0.00 H new ATOM 0 HA SER A 73 12.477 -2.715 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.562 -4.226 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.719 -4.259 -4.488 1.00 0.00 H new ATOM 0 HG SER A 73 14.292 -1.702 -3.698 1.00 0.00 H new ATOM 1155 N GLY A 74 12.039 -1.935 -5.461 1.00 0.00 N ATOM 1156 CA GLY A 74 11.671 -1.516 -6.799 1.00 0.00 C ATOM 1157 C GLY A 74 10.672 -0.363 -6.798 1.00 0.00 C ATOM 1158 O GLY A 74 10.890 0.636 -6.113 1.00 0.00 O ATOM 0 H GLY A 74 11.952 -1.214 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.567 -1.215 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.243 -2.362 -7.336 1.00 0.00 H new ATOM 1162 N THR A 75 9.583 -0.480 -7.566 1.00 0.00 N ATOM 1163 CA THR A 75 8.580 0.584 -7.631 1.00 0.00 C ATOM 1164 C THR A 75 7.198 0.056 -7.246 1.00 0.00 C ATOM 1165 O THR A 75 6.731 -0.946 -7.789 1.00 0.00 O ATOM 1166 CB THR A 75 8.554 1.173 -9.046 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.599 2.114 -9.215 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.257 1.866 -9.394 1.00 0.00 C ATOM 0 H THR A 75 9.376 -1.294 -8.146 1.00 0.00 H new ATOM 0 HA THR A 75 8.848 1.365 -6.919 1.00 0.00 H new ATOM 0 HB THR A 75 8.674 0.317 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.416 2.908 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.314 2.257 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.434 1.154 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.085 2.688 -8.699 1.00 0.00 H new ATOM 1176 N TYR A 76 6.545 0.746 -6.314 1.00 0.00 N ATOM 1177 CA TYR A 76 5.211 0.358 -5.865 1.00 0.00 C ATOM 1178 C TYR A 76 4.175 1.356 -6.367 1.00 0.00 C ATOM 1179 O TYR A 76 4.474 2.538 -6.539 1.00 0.00 O ATOM 1180 CB TYR A 76 5.162 0.273 -4.337 1.00 0.00 C ATOM 1181 CG TYR A 76 5.904 -0.919 -3.771 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.283 -1.019 -3.890 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.225 -1.941 -3.120 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.967 -2.103 -3.376 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.903 -3.032 -2.603 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.272 -3.107 -2.734 1.00 0.00 C ATOM 1187 OH TYR A 76 7.947 -4.192 -2.224 1.00 0.00 O ATOM 0 H TYR A 76 6.918 1.577 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 76 4.982 -0.625 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.584 1.186 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.121 0.227 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.831 -0.236 -4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.152 -1.884 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.041 -2.164 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.362 -3.820 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 76 8.834 -3.910 -1.916 1.00 0.00 H new ATOM 1197 N ASN A 77 2.959 0.879 -6.612 1.00 0.00 N ATOM 1198 CA ASN A 77 1.892 1.740 -7.107 1.00 0.00 C ATOM 1199 C ASN A 77 0.608 1.561 -6.303 1.00 0.00 C ATOM 1200 O ASN A 77 0.096 0.446 -6.168 1.00 0.00 O ATOM 1201 CB ASN A 77 1.621 1.444 -8.583 1.00 0.00 C ATOM 1202 CG ASN A 77 2.418 2.341 -9.511 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.401 3.565 -9.375 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.119 1.736 -10.462 1.00 0.00 N ATOM 0 H ASN A 77 2.689 -0.095 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 77 2.221 2.773 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.865 0.402 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.558 1.570 -8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.673 2.288 -11.117 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.104 0.719 -10.538 1.00 0.00 H new ATOM 1211 N VAL A 78 0.082 2.668 -5.783 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.153 2.634 -5.008 1.00 0.00 C ATOM 1213 C VAL A 78 -2.297 3.292 -5.772 1.00 0.00 C ATOM 1214 O VAL A 78 -2.159 4.408 -6.280 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.030 3.341 -3.637 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.837 2.588 -2.588 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.424 3.495 -3.199 1.00 0.00 C ATOM 0 H VAL A 78 0.492 3.597 -5.885 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.357 1.577 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.436 4.347 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.745 3.093 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.885 2.562 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.459 1.569 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.462 3.996 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.885 2.511 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.965 4.088 -3.936 1.00 0.00 H new ATOM 1227 N THR A 79 -3.435 2.604 -5.827 1.00 0.00 N ATOM 1228 CA THR A 79 -4.617 3.124 -6.503 1.00 0.00 C ATOM 1229 C THR A 79 -5.766 3.243 -5.506 1.00 0.00 C ATOM 1230 O THR A 79 -6.461 2.267 -5.221 1.00 0.00 O ATOM 1231 CB THR A 79 -5.018 2.225 -7.676 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.001 1.279 -7.957 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.287 2.997 -8.951 1.00 0.00 C ATOM 0 H THR A 79 -3.562 1.682 -5.409 1.00 0.00 H new ATOM 0 HA THR A 79 -4.385 4.111 -6.903 1.00 0.00 H new ATOM 0 HB THR A 79 -5.938 1.733 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.178 0.857 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.566 2.304 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.100 3.704 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.389 3.540 -9.244 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.940 4.441 -4.966 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.984 4.699 -3.981 1.00 0.00 C ATOM 1243 C VAL A 80 -8.313 5.036 -4.651 1.00 0.00 C ATOM 1244 O VAL A 80 -8.385 5.920 -5.504 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.576 5.854 -3.033 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.716 6.229 -2.098 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.329 5.490 -2.231 1.00 0.00 C ATOM 0 H VAL A 80 -5.369 5.255 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.109 3.786 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.346 6.720 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.399 7.042 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.577 6.549 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.990 5.364 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.065 6.318 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.528 4.601 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.503 5.290 -2.913 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.365 4.327 -4.248 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.693 4.551 -4.798 1.00 0.00 C ATOM 1259 C TYR A 81 -11.661 5.011 -3.719 1.00 0.00 C ATOM 1260 O TYR A 81 -11.515 4.670 -2.542 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.233 3.284 -5.440 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.363 2.734 -6.549 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -9.353 1.819 -6.278 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -10.556 3.126 -7.867 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -8.561 1.311 -7.290 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -9.768 2.623 -8.885 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.772 1.716 -8.591 1.00 0.00 C ATOM 1268 OH TYR A 81 -7.985 1.212 -9.601 1.00 0.00 O ATOM 0 H TYR A 81 -9.320 3.593 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.603 5.331 -5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.348 2.520 -4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.227 3.487 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.184 1.500 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.335 3.836 -8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.780 0.600 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.931 2.939 -9.905 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.265 1.598 -10.457 1.00 0.00 H new ATOM 1278 N SER A 82 -12.655 5.776 -4.146 1.00 0.00 N ATOM 1279 CA SER A 82 -13.675 6.307 -3.250 1.00 0.00 C ATOM 1280 C SER A 82 -14.847 5.341 -3.102 1.00 0.00 C ATOM 1281 O SER A 82 -14.911 4.313 -3.779 1.00 0.00 O ATOM 1282 CB SER A 82 -14.180 7.657 -3.761 1.00 0.00 C ATOM 1283 OG SER A 82 -13.618 7.973 -5.023 1.00 0.00 O ATOM 0 H SER A 82 -12.778 6.047 -5.122 1.00 0.00 H new ATOM 0 HA SER A 82 -13.216 6.439 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.267 7.635 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.928 8.437 -3.043 1.00 0.00 H new ATOM 0 HG SER A 82 -13.984 8.825 -5.340 1.00 0.00 H new ATOM 1289 N THR A 83 -15.771 5.685 -2.213 1.00 0.00 N ATOM 1290 CA THR A 83 -16.950 4.860 -1.967 1.00 0.00 C ATOM 1291 C THR A 83 -17.807 4.730 -3.224 1.00 0.00 C ATOM 1292 O THR A 83 -18.638 3.827 -3.327 1.00 0.00 O ATOM 1293 CB THR A 83 -17.782 5.452 -0.829 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.700 6.866 -0.831 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.354 4.970 0.540 1.00 0.00 C ATOM 0 H THR A 83 -15.727 6.533 -1.648 1.00 0.00 H new ATOM 0 HA THR A 83 -16.608 3.865 -1.683 1.00 0.00 H new ATOM 0 HB THR A 83 -18.802 5.115 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.240 7.226 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.985 5.429 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.453 3.886 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.315 5.248 0.715 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.606 5.636 -4.177 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.367 5.615 -5.422 1.00 0.00 C ATOM 1305 C ASN A 84 -17.620 4.852 -6.513 1.00 0.00 C ATOM 1306 O ASN A 84 -17.854 5.068 -7.703 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.656 7.043 -5.890 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.032 7.179 -6.511 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -20.259 6.757 -7.645 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.960 7.773 -5.770 1.00 0.00 N ATOM 0 H ASN A 84 -16.924 6.392 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.309 5.102 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.574 7.724 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.901 7.345 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.904 7.894 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.729 8.108 -4.835 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.723 3.959 -6.105 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.963 3.181 -7.066 1.00 0.00 C ATOM 1319 C GLY A 85 -15.155 4.049 -8.013 1.00 0.00 C ATOM 1320 O GLY A 85 -14.782 3.610 -9.101 1.00 0.00 O ATOM 0 H GLY A 85 -16.509 3.761 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.291 2.509 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.645 2.558 -7.644 1.00 0.00 H new ATOM 1324 N THR A 86 -14.881 5.282 -7.598 1.00 0.00 N ATOM 1325 CA THR A 86 -14.111 6.210 -8.418 1.00 0.00 C ATOM 1326 C THR A 86 -12.646 6.214 -7.993 1.00 0.00 C ATOM 1327 O THR A 86 -12.269 5.549 -7.028 1.00 0.00 O ATOM 1328 CB THR A 86 -14.692 7.623 -8.316 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.921 7.614 -7.611 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.944 8.264 -9.663 1.00 0.00 C ATOM 0 H THR A 86 -15.181 5.661 -6.700 1.00 0.00 H new ATOM 0 HA THR A 86 -14.171 5.880 -9.455 1.00 0.00 H new ATOM 0 HB THR A 86 -13.938 8.205 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.597 8.102 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.355 9.263 -9.519 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.006 8.334 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.652 7.658 -10.228 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.825 6.969 -8.715 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.401 7.058 -8.405 1.00 0.00 C ATOM 1340 C ARG A 87 -10.104 8.312 -7.589 1.00 0.00 C ATOM 1341 O ARG A 87 -10.299 9.433 -8.060 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.566 7.056 -9.688 1.00 0.00 C ATOM 1343 CG ARG A 87 -8.176 6.471 -9.506 1.00 0.00 C ATOM 1344 CD ARG A 87 -7.516 6.167 -10.842 1.00 0.00 C ATOM 1345 NE ARG A 87 -6.242 6.867 -10.995 1.00 0.00 N ATOM 1346 CZ ARG A 87 -6.138 8.149 -11.338 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -7.226 8.874 -11.563 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -4.940 8.708 -11.456 1.00 0.00 N ATOM 0 H ARG A 87 -12.119 7.527 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.131 6.184 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.093 6.488 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.476 8.078 -10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.557 7.171 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.240 5.557 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.352 5.093 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.187 6.454 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.383 6.343 -10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.149 8.450 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.139 9.856 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.100 8.155 -11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.859 9.690 -11.719 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.637 8.114 -6.361 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.318 9.227 -5.474 1.00 0.00 C ATOM 1364 C ILE A 88 -7.864 9.663 -5.630 1.00 0.00 C ATOM 1365 O ILE A 88 -7.576 10.856 -5.733 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.587 8.858 -3.999 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.084 8.634 -3.776 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.062 9.940 -3.060 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.914 9.888 -3.947 1.00 0.00 C ATOM 0 H ILE A 88 -9.471 7.192 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.966 10.056 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.056 7.933 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.438 7.876 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.239 8.240 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.264 9.655 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.987 10.054 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.559 10.885 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.965 9.655 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.587 10.641 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.789 10.272 -4.960 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.949 8.700 -5.634 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.531 9.011 -5.764 1.00 0.00 C ATOM 1383 C LEU A 89 -4.750 7.851 -6.378 1.00 0.00 C ATOM 1384 O LEU A 89 -5.077 6.683 -6.172 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.948 9.368 -4.392 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.417 9.350 -4.299 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.921 10.484 -3.417 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.933 8.007 -3.769 1.00 0.00 C ATOM 0 H LEU A 89 -7.161 7.706 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.437 9.864 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.300 10.362 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.347 8.672 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.009 9.493 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.833 10.454 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.238 11.438 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.337 10.374 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.845 8.010 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.351 7.835 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.257 7.212 -4.441 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.701 8.198 -7.115 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.834 7.215 -7.753 1.00 0.00 C ATOM 1402 C ASN A 90 -1.381 7.633 -7.567 1.00 0.00 C ATOM 1403 O ASN A 90 -0.932 8.618 -8.154 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.163 7.094 -9.242 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.491 5.897 -9.888 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.680 4.723 -9.295 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.812 6.025 -10.906 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.428 9.166 -7.287 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.995 6.241 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.243 7.012 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.851 8.003 -9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.694 6.946 -11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.367 5.210 -11.328 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.654 6.906 -6.724 1.00 0.00 N ATOM 1415 CA LYS A 91 0.739 7.248 -6.447 1.00 0.00 C ATOM 1416 C LYS A 91 1.702 6.117 -6.792 1.00 0.00 C ATOM 1417 O LYS A 91 1.328 4.945 -6.825 1.00 0.00 O ATOM 1418 CB LYS A 91 0.904 7.625 -4.974 1.00 0.00 C ATOM 1419 CG LYS A 91 0.127 8.864 -4.570 1.00 0.00 C ATOM 1420 CD LYS A 91 0.954 10.126 -4.757 1.00 0.00 C ATOM 1421 CE LYS A 91 0.095 11.376 -4.647 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.911 12.620 -4.727 1.00 0.00 N ATOM 0 H LYS A 91 -1.000 6.086 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 91 0.988 8.097 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.582 6.787 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.962 7.786 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.784 8.933 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.179 8.779 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.744 10.159 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.441 10.102 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.648 11.377 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.450 11.360 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.676 13.242 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.921 12.376 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.707 13.112 -5.620 1.00 0.00 H new ATOM 1436 N ALA A 92 2.954 6.496 -7.031 1.00 0.00 N ATOM 1437 CA ALA A 92 4.011 5.551 -7.357 1.00 0.00 C ATOM 1438 C ALA A 92 5.293 5.930 -6.623 1.00 0.00 C ATOM 1439 O ALA A 92 5.791 7.046 -6.768 1.00 0.00 O ATOM 1440 CB ALA A 92 4.248 5.525 -8.858 1.00 0.00 C ATOM 0 H ALA A 92 3.262 7.468 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 92 3.706 4.555 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.041 4.814 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.332 5.224 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.541 6.518 -9.197 1.00 0.00 H new ATOM 1446 N LEU A 93 5.815 5.008 -5.822 1.00 0.00 N ATOM 1447 CA LEU A 93 7.030 5.270 -5.055 1.00 0.00 C ATOM 1448 C LEU A 93 8.159 4.324 -5.446 1.00 0.00 C ATOM 1449 O LEU A 93 7.923 3.246 -5.993 1.00 0.00 O ATOM 1450 CB LEU A 93 6.747 5.140 -3.556 1.00 0.00 C ATOM 1451 CG LEU A 93 5.369 5.627 -3.107 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.298 4.608 -3.464 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.364 5.901 -1.611 1.00 0.00 C ATOM 0 H LEU A 93 5.420 4.078 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 93 7.347 6.288 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.855 4.093 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.507 5.698 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 93 5.146 6.557 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.325 4.973 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.284 4.458 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.516 3.662 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.376 6.247 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.609 4.985 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.104 6.667 -1.379 1.00 0.00 H new ATOM 1465 N ASP A 94 9.389 4.735 -5.149 1.00 0.00 N ATOM 1466 CA ASP A 94 10.564 3.930 -5.452 1.00 0.00 C ATOM 1467 C ASP A 94 11.210 3.431 -4.162 1.00 0.00 C ATOM 1468 O ASP A 94 11.811 4.206 -3.418 1.00 0.00 O ATOM 1469 CB ASP A 94 11.575 4.743 -6.261 1.00 0.00 C ATOM 1470 CG ASP A 94 10.933 5.470 -7.426 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.361 4.793 -8.306 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.004 6.717 -7.459 1.00 0.00 O ATOM 0 H ASP A 94 9.596 5.625 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 94 10.250 3.072 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.061 5.468 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.354 4.079 -6.636 1.00 0.00 H new ATOM 1477 N LEU A 95 11.073 2.139 -3.896 1.00 0.00 N ATOM 1478 CA LEU A 95 11.630 1.543 -2.691 1.00 0.00 C ATOM 1479 C LEU A 95 13.014 0.951 -2.959 1.00 0.00 C ATOM 1480 O LEU A 95 13.128 -0.168 -3.463 1.00 0.00 O ATOM 1481 CB LEU A 95 10.694 0.451 -2.167 1.00 0.00 C ATOM 1482 CG LEU A 95 10.412 0.501 -0.667 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.468 -0.618 -0.262 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.708 0.419 0.124 1.00 0.00 C ATOM 0 H LEU A 95 10.579 1.483 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 95 11.731 2.327 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.746 0.520 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.125 -0.521 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 95 9.932 1.453 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.280 -0.565 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.527 -0.513 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.919 -1.580 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.486 0.456 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.218 -0.516 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.351 1.258 -0.142 1.00 0.00 H new ATOM 1496 N ARG A 96 14.060 1.701 -2.615 1.00 0.00 N ATOM 1497 CA ARG A 96 15.429 1.238 -2.817 1.00 0.00 C ATOM 1498 C ARG A 96 15.993 0.656 -1.523 1.00 0.00 C ATOM 1499 O ARG A 96 15.973 1.304 -0.473 1.00 0.00 O ATOM 1500 CB ARG A 96 16.329 2.371 -3.326 1.00 0.00 C ATOM 1501 CG ARG A 96 15.576 3.612 -3.789 1.00 0.00 C ATOM 1502 CD ARG A 96 14.681 3.308 -4.983 1.00 0.00 C ATOM 1503 NE ARG A 96 15.326 2.413 -5.941 1.00 0.00 N ATOM 1504 CZ ARG A 96 16.337 2.773 -6.728 1.00 0.00 C ATOM 1505 NH1 ARG A 96 16.822 4.009 -6.675 1.00 0.00 N ATOM 1506 NH2 ARG A 96 16.865 1.897 -7.572 1.00 0.00 N ATOM 0 H ARG A 96 13.985 2.628 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 96 15.408 0.455 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.020 2.655 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.931 1.996 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.971 3.999 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.288 4.393 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.753 2.856 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.414 4.240 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 96 14.981 1.456 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.419 4.688 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.597 4.279 -7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.496 0.947 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.640 2.173 -8.175 1.00 0.00 H new ATOM 1520 N ILE A 97 16.484 -0.576 -1.601 1.00 0.00 N ATOM 1521 CA ILE A 97 17.036 -1.247 -0.432 1.00 0.00 C ATOM 1522 C ILE A 97 18.364 -1.927 -0.741 1.00 0.00 C ATOM 1523 O ILE A 97 18.500 -2.624 -1.746 1.00 0.00 O ATOM 1524 CB ILE A 97 16.053 -2.300 0.113 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.664 -1.683 0.294 1.00 0.00 C ATOM 1526 CG2 ILE A 97 16.564 -2.879 1.424 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.632 -2.228 -0.671 1.00 0.00 C ATOM 0 H ILE A 97 16.511 -1.128 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 97 17.204 -0.475 0.319 1.00 0.00 H new ATOM 0 HB ILE A 97 15.976 -3.114 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.326 -1.862 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.735 -0.603 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.857 -3.621 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.533 -3.351 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 97 16.669 -2.080 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.671 -1.747 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.948 -2.026 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.532 -3.304 -0.528 1.00 0.00 H new ATOM 1539 N LEU A 98 19.339 -1.722 0.139 1.00 0.00 N ATOM 1540 CA LEU A 98 20.645 -2.301 -0.011 1.00 0.00 C ATOM 1541 C LEU A 98 20.674 -3.717 0.549 1.00 0.00 C ATOM 1542 O LEU A 98 19.741 -4.154 1.226 1.00 0.00 O ATOM 1543 CB LEU A 98 21.647 -1.424 0.722 1.00 0.00 C ATOM 1544 CG LEU A 98 22.247 -0.295 -0.112 1.00 0.00 C ATOM 1545 CD1 LEU A 98 23.188 0.552 0.729 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.969 -0.856 -1.328 1.00 0.00 C ATOM 0 H LEU A 98 19.233 -1.146 0.974 1.00 0.00 H new ATOM 0 HA LEU A 98 20.901 -2.357 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 98 21.158 -0.991 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 98 22.457 -2.053 1.090 1.00 0.00 H new ATOM 0 HG LEU A 98 21.435 0.344 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 98 23.605 1.351 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 98 22.639 0.985 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.996 -0.072 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.390 -0.037 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.770 -1.519 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.264 -1.415 -1.944 1.00 0.00 H new ATOM 1558 N GLU A 99 21.754 -4.419 0.261 1.00 0.00 N ATOM 1559 CA GLU A 99 21.930 -5.789 0.728 1.00 0.00 C ATOM 1560 C GLU A 99 22.684 -5.821 2.054 1.00 0.00 C ATOM 1561 O GLU A 99 22.272 -6.588 2.950 1.00 0.00 O ATOM 1562 CB GLU A 99 22.680 -6.615 -0.318 1.00 0.00 C ATOM 1563 CG GLU A 99 21.879 -6.865 -1.585 1.00 0.00 C ATOM 1564 CD GLU A 99 22.166 -8.220 -2.200 1.00 0.00 C ATOM 1565 OE1 GLU A 99 23.318 -8.692 -2.086 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.240 -8.812 -2.793 1.00 0.00 O ATOM 1567 OXT GLU A 99 23.680 -5.078 2.184 1.00 0.00 O ATOM 0 H GLU A 99 22.530 -4.063 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 99 20.942 -6.222 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.606 -6.102 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.959 -7.573 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.815 -6.791 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 99 22.104 -6.085 -2.312 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 1.867 4.603 6.830 1.00 0.00 CA