USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1122 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 55 SER OG : rot 174:sc= -0.17 USER MOD Set 1.2: A 67 HIS : no HE2:sc= -0.823 K(o=0.35,f=-6.9!) USER MOD Set 1.3: B 69 ASN : amide:sc= 1.35 K(o=0.35,f=-11!) USER MOD Set 2.1: B 37 HIS : no HD1:sc= 0.965 K(o=1,f=-7.7!) USER MOD Set 2.2: B 40 THR OG1 : rot 61:sc= 0.0418 USER MOD Set 3.1: B 9 HIS : no HD1:sc= 0.977 K(o=0.86,f=-4!) USER MOD Set 3.2: B 12 CYS SG : rot 7:sc= -0.38 USER MOD Set 3.3: B 15 CYS SG : rot 151:sc= 0.264 USER MOD Set 4.1: A 69 ASN : amide:sc= 0.8 K(o=2.2,f=-11!) USER MOD Set 4.2: B 67 HIS : no HE2:sc= 1.38 K(o=2.2,f=-10!) USER MOD Set 5.1: A 37 HIS : no HE2:sc= 0.339 K(o=0.34,f=-2.1!) USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 126:sc= 1.77 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 8 TYR OH : rot -142:sc= 1.24 USER MOD Single : A 9 HIS : no HD1:sc= 0.925 K(o=0.93,f=-6.3!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -10:sc= -3.4! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.34 K(o=0.34,f=-0.52) USER MOD Single : A 29 SER OG : rot -54:sc= 1.27 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 137:sc= -0.0269 (180deg=-0.269) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot -131:sc= 0.596 USER MOD Single : B 4 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.2) USER MOD Single : B 8 TYR OH : rot 180:sc= 0.687 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc=-0.00166 K(o=-0.0017,f=-0.93) USER MOD Single : B 24 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 152:sc= 1.23 (180deg=-0.384) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.24) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot -151:sc= -0.172 USER MOD Single : B 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 29.608 14.045 -9.820 1.00 0.00 N ATOM 20 CA ALA A 2 29.404 15.438 -10.194 1.00 0.00 C ATOM 21 C ALA A 2 28.923 16.273 -9.012 1.00 0.00 C ATOM 22 O ALA A 2 29.666 17.097 -8.481 1.00 0.00 O ATOM 23 CB ALA A 2 28.422 15.539 -11.352 1.00 0.00 C ATOM 0 HA ALA A 2 30.366 15.839 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.281 16.586 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.815 14.995 -12.211 1.00 0.00 H new ATOM 0 HB3 ALA A 2 27.466 15.108 -11.057 1.00 0.00 H new ATOM 29 N SER A 3 27.684 16.054 -8.592 1.00 0.00 N ATOM 30 CA SER A 3 27.094 16.849 -7.526 1.00 0.00 C ATOM 31 C SER A 3 27.145 16.121 -6.183 1.00 0.00 C ATOM 32 O SER A 3 27.351 14.906 -6.129 1.00 0.00 O ATOM 33 CB SER A 3 25.660 17.219 -7.898 1.00 0.00 C ATOM 34 OG SER A 3 25.009 16.134 -8.533 1.00 0.00 O ATOM 0 H SER A 3 27.070 15.334 -8.973 1.00 0.00 H new ATOM 0 HA SER A 3 27.679 17.762 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.109 17.505 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.663 18.085 -8.560 1.00 0.00 H new ATOM 0 HG SER A 3 24.172 15.935 -8.064 1.00 0.00 H new ATOM 40 N LYS A 4 26.953 16.878 -5.107 1.00 0.00 N ATOM 41 CA LYS A 4 27.088 16.361 -3.750 1.00 0.00 C ATOM 42 C LYS A 4 25.738 15.947 -3.165 1.00 0.00 C ATOM 43 O LYS A 4 24.766 16.701 -3.224 1.00 0.00 O ATOM 44 CB LYS A 4 27.743 17.431 -2.866 1.00 0.00 C ATOM 45 CG LYS A 4 27.745 17.108 -1.379 1.00 0.00 C ATOM 46 CD LYS A 4 28.464 18.186 -0.580 1.00 0.00 C ATOM 47 CE LYS A 4 29.939 18.274 -0.950 1.00 0.00 C ATOM 48 NZ LYS A 4 30.712 17.098 -0.470 1.00 0.00 N ATOM 0 H LYS A 4 26.700 17.865 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 4 27.715 15.470 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.772 17.575 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.224 18.377 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.719 17.013 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.230 16.146 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 4 27.986 19.150 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.368 17.974 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 4 30.036 18.352 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.364 19.183 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 31.710 17.202 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 30.643 17.037 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.325 16.231 -0.895 1.00 0.00 H new ATOM 62 N ALA A 5 25.690 14.744 -2.605 1.00 0.00 N ATOM 63 CA ALA A 5 24.501 14.255 -1.923 1.00 0.00 C ATOM 64 C ALA A 5 24.883 13.609 -0.597 1.00 0.00 C ATOM 65 O ALA A 5 25.345 12.470 -0.557 1.00 0.00 O ATOM 66 CB ALA A 5 23.745 13.270 -2.803 1.00 0.00 C ATOM 0 H ALA A 5 26.469 14.085 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 5 23.844 15.101 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.859 12.916 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.444 13.764 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.390 12.423 -3.038 1.00 0.00 H new ATOM 72 N ILE A 6 24.704 14.346 0.487 1.00 0.00 N ATOM 73 CA ILE A 6 25.104 13.872 1.805 1.00 0.00 C ATOM 74 C ILE A 6 23.932 13.230 2.543 1.00 0.00 C ATOM 75 O ILE A 6 22.871 13.832 2.701 1.00 0.00 O ATOM 76 CB ILE A 6 25.720 15.006 2.657 1.00 0.00 C ATOM 77 CG1 ILE A 6 24.918 16.300 2.494 1.00 0.00 C ATOM 78 CG2 ILE A 6 27.178 15.220 2.277 1.00 0.00 C ATOM 79 CD1 ILE A 6 25.491 17.480 3.254 1.00 0.00 C ATOM 0 H ILE A 6 24.284 15.276 0.482 1.00 0.00 H new ATOM 0 HA ILE A 6 25.870 13.112 1.651 1.00 0.00 H new ATOM 0 HB ILE A 6 25.678 14.714 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 6 24.867 16.553 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 6 23.896 16.127 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.599 16.021 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.738 14.301 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.243 15.491 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 6 24.867 18.358 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.516 17.249 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 6 26.503 17.682 2.903 1.00 0.00 H new ATOM 91 N PHE A 7 24.137 12.001 2.990 1.00 0.00 N ATOM 92 CA PHE A 7 23.085 11.221 3.622 1.00 0.00 C ATOM 93 C PHE A 7 23.364 11.062 5.114 1.00 0.00 C ATOM 94 O PHE A 7 24.301 10.372 5.508 1.00 0.00 O ATOM 95 CB PHE A 7 22.989 9.851 2.940 1.00 0.00 C ATOM 96 CG PHE A 7 21.862 8.988 3.431 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.551 9.282 3.096 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.115 7.878 4.221 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.514 8.487 3.540 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.083 7.078 4.667 1.00 0.00 C ATOM 101 CZ PHE A 7 19.780 7.382 4.325 1.00 0.00 C ATOM 0 H PHE A 7 25.033 11.518 2.925 1.00 0.00 H new ATOM 0 HA PHE A 7 22.134 11.741 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 7 22.874 10.001 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 7 23.929 9.319 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.338 10.143 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.132 7.636 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.496 8.729 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.294 6.216 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.970 6.757 4.671 1.00 0.00 H new ATOM 111 N TYR A 8 22.555 11.713 5.932 1.00 0.00 N ATOM 112 CA TYR A 8 22.733 11.681 7.379 1.00 0.00 C ATOM 113 C TYR A 8 21.757 10.705 8.018 1.00 0.00 C ATOM 114 O TYR A 8 20.594 10.630 7.616 1.00 0.00 O ATOM 115 CB TYR A 8 22.512 13.071 7.981 1.00 0.00 C ATOM 116 CG TYR A 8 23.565 14.094 7.616 1.00 0.00 C ATOM 117 CD1 TYR A 8 23.566 14.711 6.372 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.543 14.462 8.531 1.00 0.00 C ATOM 119 CE1 TYR A 8 24.513 15.662 6.051 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.497 15.410 8.214 1.00 0.00 C ATOM 121 CZ TYR A 8 25.476 16.009 6.974 1.00 0.00 C ATOM 122 OH TYR A 8 26.411 16.965 6.658 1.00 0.00 O ATOM 0 H TYR A 8 21.763 12.274 5.619 1.00 0.00 H new ATOM 0 HA TYR A 8 23.754 11.357 7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.539 13.441 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.475 12.980 9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.814 14.443 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.558 13.999 9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 8 24.500 16.133 5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.255 15.680 8.935 1.00 0.00 H new ATOM 0 HH TYR A 8 27.279 16.712 7.037 1.00 0.00 H new ATOM 132 N HIS A 9 22.225 9.963 9.013 1.00 0.00 N ATOM 133 CA HIS A 9 21.355 9.068 9.766 1.00 0.00 C ATOM 134 C HIS A 9 21.998 8.677 11.096 1.00 0.00 C ATOM 135 O HIS A 9 23.114 9.100 11.404 1.00 0.00 O ATOM 136 CB HIS A 9 20.996 7.820 8.946 1.00 0.00 C ATOM 137 CG HIS A 9 22.144 6.906 8.648 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.428 5.838 9.460 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.011 6.916 7.611 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.453 5.223 8.901 1.00 0.00 C ATOM 141 NE2 HIS A 9 23.843 5.837 7.776 1.00 0.00 N ATOM 0 H HIS A 9 23.199 9.963 9.317 1.00 0.00 H new ATOM 0 HA HIS A 9 20.430 9.604 9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.233 7.257 9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.551 8.139 8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.043 7.636 6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.920 4.335 9.301 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.608 5.557 7.162 1.00 0.00 H new ATOM 149 N ALA A 10 21.287 7.873 11.878 1.00 0.00 N ATOM 150 CA ALA A 10 21.752 7.485 13.204 1.00 0.00 C ATOM 151 C ALA A 10 21.869 5.968 13.329 1.00 0.00 C ATOM 152 O ALA A 10 21.953 5.432 14.434 1.00 0.00 O ATOM 153 CB ALA A 10 20.810 8.030 14.267 1.00 0.00 C ATOM 0 H ALA A 10 20.385 7.477 11.616 1.00 0.00 H new ATOM 0 HA ALA A 10 22.744 7.910 13.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.166 7.735 15.254 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.779 9.118 14.203 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.809 7.628 14.107 1.00 0.00 H new ATOM 159 N GLY A 11 21.900 5.282 12.194 1.00 0.00 N ATOM 160 CA GLY A 11 22.004 3.836 12.203 1.00 0.00 C ATOM 161 C GLY A 11 20.691 3.168 12.547 1.00 0.00 C ATOM 162 O GLY A 11 20.615 2.377 13.485 1.00 0.00 O ATOM 0 H GLY A 11 21.855 5.702 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.339 3.492 11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.763 3.533 12.924 1.00 0.00 H new ATOM 166 N CYS A 12 19.653 3.495 11.798 1.00 0.00 N ATOM 167 CA CYS A 12 18.340 2.911 12.018 1.00 0.00 C ATOM 168 C CYS A 12 18.035 1.901 10.912 1.00 0.00 C ATOM 169 O CYS A 12 18.589 2.001 9.817 1.00 0.00 O ATOM 170 CB CYS A 12 17.280 4.016 12.043 1.00 0.00 C ATOM 171 SG CYS A 12 17.683 5.393 13.146 1.00 0.00 S ATOM 0 H CYS A 12 19.693 4.164 11.029 1.00 0.00 H new ATOM 0 HA CYS A 12 18.327 2.394 12.978 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.146 4.400 11.032 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.327 3.585 12.349 1.00 0.00 H new ATOM 0 HG CYS A 12 16.732 6.278 13.100 1.00 0.00 H new ATOM 177 N PRO A 13 17.163 0.912 11.181 1.00 0.00 N ATOM 178 CA PRO A 13 16.810 -0.128 10.201 1.00 0.00 C ATOM 179 C PRO A 13 16.348 0.454 8.865 1.00 0.00 C ATOM 180 O PRO A 13 16.710 -0.046 7.799 1.00 0.00 O ATOM 181 CB PRO A 13 15.665 -0.882 10.881 1.00 0.00 C ATOM 182 CG PRO A 13 15.886 -0.670 12.337 1.00 0.00 C ATOM 183 CD PRO A 13 16.464 0.712 12.467 1.00 0.00 C ATOM 0 HA PRO A 13 17.666 -0.756 9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.695 -0.496 10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.683 -1.942 10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.951 -0.757 12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.567 -1.418 12.742 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.686 1.460 12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.149 0.784 13.312 1.00 0.00 H new ATOM 191 N VAL A 14 15.569 1.527 8.933 1.00 0.00 N ATOM 192 CA VAL A 14 15.059 2.189 7.734 1.00 0.00 C ATOM 193 C VAL A 14 16.206 2.720 6.872 1.00 0.00 C ATOM 194 O VAL A 14 16.130 2.715 5.642 1.00 0.00 O ATOM 195 CB VAL A 14 14.119 3.358 8.098 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.516 3.979 6.847 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.026 2.893 9.046 1.00 0.00 C ATOM 0 H VAL A 14 15.275 1.960 9.808 1.00 0.00 H new ATOM 0 HA VAL A 14 14.499 1.443 7.170 1.00 0.00 H new ATOM 0 HB VAL A 14 14.710 4.122 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.857 4.800 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.314 4.357 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.944 3.225 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.375 3.732 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.441 2.106 8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.477 2.506 9.960 1.00 0.00 H new ATOM 207 N CYS A 15 17.274 3.154 7.528 1.00 0.00 N ATOM 208 CA CYS A 15 18.425 3.718 6.837 1.00 0.00 C ATOM 209 C CYS A 15 19.107 2.658 5.980 1.00 0.00 C ATOM 210 O CYS A 15 19.651 2.960 4.920 1.00 0.00 O ATOM 211 CB CYS A 15 19.415 4.290 7.851 1.00 0.00 C ATOM 212 SG CYS A 15 18.648 5.351 9.101 1.00 0.00 S ATOM 0 H CYS A 15 17.367 3.126 8.543 1.00 0.00 H new ATOM 0 HA CYS A 15 18.080 4.520 6.185 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.926 3.467 8.350 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.176 4.862 7.320 1.00 0.00 H new ATOM 0 HG CYS A 15 17.416 5.594 8.767 1.00 0.00 H new ATOM 218 N VAL A 16 19.055 1.413 6.439 1.00 0.00 N ATOM 219 CA VAL A 16 19.655 0.305 5.711 1.00 0.00 C ATOM 220 C VAL A 16 18.915 0.072 4.395 1.00 0.00 C ATOM 221 O VAL A 16 19.535 -0.099 3.343 1.00 0.00 O ATOM 222 CB VAL A 16 19.644 -0.991 6.551 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.339 -2.125 5.814 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.296 -0.755 7.905 1.00 0.00 C ATOM 0 H VAL A 16 18.602 1.147 7.313 1.00 0.00 H new ATOM 0 HA VAL A 16 20.692 0.569 5.501 1.00 0.00 H new ATOM 0 HB VAL A 16 18.605 -1.280 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.317 -3.025 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.825 -2.315 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.374 -1.848 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.279 -1.679 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.328 -0.436 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.748 0.019 8.443 1.00 0.00 H new ATOM 234 N SER A 17 17.588 0.085 4.458 1.00 0.00 N ATOM 235 CA SER A 17 16.766 -0.063 3.267 1.00 0.00 C ATOM 236 C SER A 17 16.965 1.124 2.326 1.00 0.00 C ATOM 237 O SER A 17 17.047 0.957 1.111 1.00 0.00 O ATOM 238 CB SER A 17 15.291 -0.190 3.657 1.00 0.00 C ATOM 239 OG SER A 17 15.089 -1.292 4.524 1.00 0.00 O ATOM 0 H SER A 17 17.060 0.197 5.323 1.00 0.00 H new ATOM 0 HA SER A 17 17.072 -0.970 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.960 0.727 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.683 -0.312 2.760 1.00 0.00 H new ATOM 0 HG SER A 17 14.140 -1.352 4.761 1.00 0.00 H new ATOM 245 N ALA A 18 17.061 2.321 2.896 1.00 0.00 N ATOM 246 CA ALA A 18 17.283 3.528 2.109 1.00 0.00 C ATOM 247 C ALA A 18 18.631 3.477 1.397 1.00 0.00 C ATOM 248 O ALA A 18 18.776 3.968 0.277 1.00 0.00 O ATOM 249 CB ALA A 18 17.192 4.760 2.995 1.00 0.00 C ATOM 0 H ALA A 18 16.988 2.481 3.901 1.00 0.00 H new ATOM 0 HA ALA A 18 16.504 3.587 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.360 5.654 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.203 4.809 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.948 4.702 3.778 1.00 0.00 H new ATOM 255 N GLU A 19 19.609 2.865 2.049 1.00 0.00 N ATOM 256 CA GLU A 19 20.944 2.724 1.487 1.00 0.00 C ATOM 257 C GLU A 19 20.944 1.751 0.310 1.00 0.00 C ATOM 258 O GLU A 19 21.492 2.043 -0.753 1.00 0.00 O ATOM 259 CB GLU A 19 21.911 2.236 2.568 1.00 0.00 C ATOM 260 CG GLU A 19 23.320 1.975 2.063 1.00 0.00 C ATOM 261 CD GLU A 19 24.226 1.424 3.143 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.861 2.223 3.861 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.311 0.185 3.279 1.00 0.00 O ATOM 0 H GLU A 19 19.501 2.455 2.977 1.00 0.00 H new ATOM 0 HA GLU A 19 21.268 3.699 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.953 2.978 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.517 1.319 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.281 1.271 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.742 2.902 1.676 1.00 0.00 H new ATOM 270 N GLN A 20 20.312 0.601 0.498 1.00 0.00 N ATOM 271 CA GLN A 20 20.347 -0.460 -0.500 1.00 0.00 C ATOM 272 C GLN A 20 19.368 -0.192 -1.645 1.00 0.00 C ATOM 273 O GLN A 20 19.459 -0.807 -2.708 1.00 0.00 O ATOM 274 CB GLN A 20 20.053 -1.809 0.165 1.00 0.00 C ATOM 275 CG GLN A 20 20.292 -3.008 -0.739 1.00 0.00 C ATOM 276 CD GLN A 20 20.264 -4.321 0.016 1.00 0.00 C ATOM 277 OE1 GLN A 20 19.218 -4.956 0.154 1.00 0.00 O ATOM 278 NE2 GLN A 20 21.419 -4.736 0.514 1.00 0.00 N ATOM 0 H GLN A 20 19.769 0.378 1.332 1.00 0.00 H new ATOM 0 HA GLN A 20 21.347 -0.487 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.675 -1.908 1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.016 -1.820 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.533 -3.026 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.257 -2.898 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.263 -4.180 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.465 -5.612 1.035 1.00 0.00 H new ATOM 287 N ALA A 21 18.444 0.736 -1.435 1.00 0.00 N ATOM 288 CA ALA A 21 17.467 1.071 -2.463 1.00 0.00 C ATOM 289 C ALA A 21 17.710 2.464 -3.041 1.00 0.00 C ATOM 290 O ALA A 21 18.122 2.602 -4.189 1.00 0.00 O ATOM 291 CB ALA A 21 16.055 0.964 -1.910 1.00 0.00 C ATOM 0 H ALA A 21 18.350 1.267 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 21 17.584 0.353 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.338 1.218 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.874 -0.055 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.939 1.653 -1.073 1.00 0.00 H new ATOM 297 N VAL A 22 17.479 3.494 -2.233 1.00 0.00 N ATOM 298 CA VAL A 22 17.553 4.876 -2.706 1.00 0.00 C ATOM 299 C VAL A 22 18.982 5.261 -3.080 1.00 0.00 C ATOM 300 O VAL A 22 19.240 5.711 -4.196 1.00 0.00 O ATOM 301 CB VAL A 22 17.025 5.868 -1.646 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.965 7.279 -2.213 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.659 5.433 -1.136 1.00 0.00 C ATOM 0 H VAL A 22 17.239 3.400 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 22 16.922 4.935 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 22 17.718 5.869 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.591 7.962 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.963 7.590 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.298 7.297 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.305 6.145 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.955 5.398 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.737 4.444 -0.685 1.00 0.00 H new ATOM 313 N ALA A 23 19.911 5.052 -2.153 1.00 0.00 N ATOM 314 CA ALA A 23 21.306 5.433 -2.360 1.00 0.00 C ATOM 315 C ALA A 23 22.019 4.459 -3.295 1.00 0.00 C ATOM 316 O ALA A 23 23.218 4.576 -3.538 1.00 0.00 O ATOM 317 CB ALA A 23 22.034 5.511 -1.025 1.00 0.00 C ATOM 0 H ALA A 23 19.724 4.620 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 23 21.317 6.416 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.073 5.796 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.552 6.255 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.999 4.538 -0.534 1.00 0.00 H new ATOM 323 N ASN A 24 21.266 3.500 -3.811 1.00 0.00 N ATOM 324 CA ASN A 24 21.801 2.505 -4.727 1.00 0.00 C ATOM 325 C ASN A 24 21.235 2.729 -6.130 1.00 0.00 C ATOM 326 O ASN A 24 21.859 2.380 -7.135 1.00 0.00 O ATOM 327 CB ASN A 24 21.451 1.108 -4.209 1.00 0.00 C ATOM 328 CG ASN A 24 22.015 -0.019 -5.050 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.053 0.118 -5.700 1.00 0.00 O ATOM 330 ND2 ASN A 24 21.345 -1.159 -5.013 1.00 0.00 N ATOM 0 H ASN A 24 20.272 3.390 -3.608 1.00 0.00 H new ATOM 0 HA ASN A 24 22.886 2.597 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.821 1.007 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 24 20.366 1.008 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.684 -1.967 -5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.490 -1.230 -4.462 1.00 0.00 H new ATOM 337 N ALA A 25 20.050 3.325 -6.188 1.00 0.00 N ATOM 338 CA ALA A 25 19.413 3.659 -7.455 1.00 0.00 C ATOM 339 C ALA A 25 20.064 4.891 -8.074 1.00 0.00 C ATOM 340 O ALA A 25 20.098 5.046 -9.298 1.00 0.00 O ATOM 341 CB ALA A 25 17.924 3.892 -7.253 1.00 0.00 C ATOM 0 H ALA A 25 19.508 3.588 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 25 19.545 2.820 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.462 4.141 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.465 2.988 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.776 4.715 -6.553 1.00 0.00 H new ATOM 347 N ILE A 26 20.572 5.767 -7.215 1.00 0.00 N ATOM 348 CA ILE A 26 21.304 6.943 -7.658 1.00 0.00 C ATOM 349 C ILE A 26 22.613 6.518 -8.317 1.00 0.00 C ATOM 350 O ILE A 26 23.303 5.623 -7.824 1.00 0.00 O ATOM 351 CB ILE A 26 21.608 7.894 -6.474 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.304 8.337 -5.802 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.403 9.107 -6.947 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.514 9.181 -4.563 1.00 0.00 C ATOM 0 H ILE A 26 20.488 5.682 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 26 20.683 7.477 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 26 22.212 7.354 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.710 8.903 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.725 7.453 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.606 9.762 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.345 8.777 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.827 9.650 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.547 9.457 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.081 8.611 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 26 21.066 10.083 -4.827 1.00 0.00 H new ATOM 366 N ASP A 27 22.941 7.133 -9.441 1.00 0.00 N ATOM 367 CA ASP A 27 24.172 6.800 -10.139 1.00 0.00 C ATOM 368 C ASP A 27 25.294 7.718 -9.679 1.00 0.00 C ATOM 369 O ASP A 27 25.103 8.932 -9.594 1.00 0.00 O ATOM 370 CB ASP A 27 23.991 6.914 -11.653 1.00 0.00 C ATOM 371 CG ASP A 27 25.109 6.229 -12.412 1.00 0.00 C ATOM 372 OD1 ASP A 27 26.213 6.805 -12.513 1.00 0.00 O ATOM 373 OD2 ASP A 27 24.888 5.100 -12.893 1.00 0.00 O ATOM 0 H ASP A 27 22.379 7.858 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 27 24.431 5.768 -9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 23.036 6.473 -11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 27 23.953 7.966 -11.935 1.00 0.00 H new ATOM 378 N PRO A 28 26.467 7.148 -9.363 1.00 0.00 N ATOM 379 CA PRO A 28 27.625 7.910 -8.881 1.00 0.00 C ATOM 380 C PRO A 28 28.042 9.037 -9.826 1.00 0.00 C ATOM 381 O PRO A 28 28.574 10.054 -9.384 1.00 0.00 O ATOM 382 CB PRO A 28 28.737 6.860 -8.786 1.00 0.00 C ATOM 383 CG PRO A 28 28.022 5.562 -8.644 1.00 0.00 C ATOM 384 CD PRO A 28 26.752 5.703 -9.430 1.00 0.00 C ATOM 0 HA PRO A 28 27.402 8.408 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.367 6.869 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.388 7.049 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.627 4.739 -9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.811 5.345 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.877 5.365 -10.459 1.00 0.00 H new ATOM 0 HD3 PRO A 28 25.944 5.114 -8.997 1.00 0.00 H new ATOM 392 N SER A 29 27.808 8.861 -11.124 1.00 0.00 N ATOM 393 CA SER A 29 28.161 9.883 -12.101 1.00 0.00 C ATOM 394 C SER A 29 27.288 11.120 -11.913 1.00 0.00 C ATOM 395 O SER A 29 27.710 12.246 -12.185 1.00 0.00 O ATOM 396 CB SER A 29 28.023 9.342 -13.529 1.00 0.00 C ATOM 397 OG SER A 29 26.686 8.959 -13.813 1.00 0.00 O ATOM 0 H SER A 29 27.378 8.025 -11.520 1.00 0.00 H new ATOM 0 HA SER A 29 29.202 10.163 -11.942 1.00 0.00 H new ATOM 0 HB2 SER A 29 28.343 10.103 -14.240 1.00 0.00 H new ATOM 0 HB3 SER A 29 28.684 8.485 -13.660 1.00 0.00 H new ATOM 0 HG SER A 29 26.377 8.324 -13.134 1.00 0.00 H new ATOM 403 N LYS A 30 26.074 10.899 -11.434 1.00 0.00 N ATOM 404 CA LYS A 30 25.155 11.983 -11.142 1.00 0.00 C ATOM 405 C LYS A 30 25.501 12.624 -9.802 1.00 0.00 C ATOM 406 O LYS A 30 26.069 13.718 -9.748 1.00 0.00 O ATOM 407 CB LYS A 30 23.711 11.466 -11.115 1.00 0.00 C ATOM 408 CG LYS A 30 23.115 11.164 -12.483 1.00 0.00 C ATOM 409 CD LYS A 30 21.765 10.474 -12.345 1.00 0.00 C ATOM 410 CE LYS A 30 20.792 10.889 -13.440 1.00 0.00 C ATOM 411 NZ LYS A 30 21.275 10.542 -14.805 1.00 0.00 N ATOM 0 H LYS A 30 25.702 9.970 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 30 25.247 12.733 -11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.676 10.559 -10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.084 12.206 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.999 12.090 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.797 10.529 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.906 9.394 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.336 10.711 -11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.830 10.406 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.624 11.964 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.545 10.786 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.144 11.075 -15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.475 9.522 -14.854 1.00 0.00 H new ATOM 425 N TYR A 31 25.186 11.919 -8.726 1.00 0.00 N ATOM 426 CA TYR A 31 25.373 12.441 -7.380 1.00 0.00 C ATOM 427 C TYR A 31 26.287 11.523 -6.583 1.00 0.00 C ATOM 428 O TYR A 31 26.186 10.300 -6.683 1.00 0.00 O ATOM 429 CB TYR A 31 24.024 12.569 -6.660 1.00 0.00 C ATOM 430 CG TYR A 31 23.066 13.555 -7.294 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.330 13.215 -8.423 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.896 14.826 -6.762 1.00 0.00 C ATOM 433 CE1 TYR A 31 21.455 14.113 -9.003 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.021 15.729 -7.337 1.00 0.00 C ATOM 435 CZ TYR A 31 21.304 15.367 -8.457 1.00 0.00 C ATOM 436 OH TYR A 31 20.432 16.265 -9.033 1.00 0.00 O ATOM 0 H TYR A 31 24.797 10.977 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 31 25.830 13.428 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 31 23.549 11.589 -6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.204 12.869 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.444 12.232 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.456 15.114 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.892 13.832 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.900 16.714 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 31 20.443 17.103 -8.525 1.00 0.00 H new ATOM 446 N THR A 32 27.179 12.108 -5.801 1.00 0.00 N ATOM 447 CA THR A 32 28.039 11.327 -4.929 1.00 0.00 C ATOM 448 C THR A 32 27.392 11.189 -3.552 1.00 0.00 C ATOM 449 O THR A 32 27.184 12.177 -2.845 1.00 0.00 O ATOM 450 CB THR A 32 29.465 11.933 -4.811 1.00 0.00 C ATOM 451 OG1 THR A 32 30.262 11.159 -3.904 1.00 0.00 O ATOM 452 CG2 THR A 32 29.431 13.383 -4.347 1.00 0.00 C ATOM 0 H THR A 32 27.326 13.116 -5.752 1.00 0.00 H new ATOM 0 HA THR A 32 28.155 10.339 -5.374 1.00 0.00 H new ATOM 0 HB THR A 32 29.909 11.907 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.158 11.550 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 32 30.449 13.767 -4.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 28.865 13.981 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 32 28.955 13.441 -3.368 1.00 0.00 H new ATOM 460 N VAL A 33 27.040 9.961 -3.194 1.00 0.00 N ATOM 461 CA VAL A 33 26.372 9.697 -1.929 1.00 0.00 C ATOM 462 C VAL A 33 27.380 9.644 -0.787 1.00 0.00 C ATOM 463 O VAL A 33 28.135 8.679 -0.651 1.00 0.00 O ATOM 464 CB VAL A 33 25.571 8.376 -1.970 1.00 0.00 C ATOM 465 CG1 VAL A 33 24.814 8.164 -0.668 1.00 0.00 C ATOM 466 CG2 VAL A 33 24.616 8.362 -3.154 1.00 0.00 C ATOM 0 H VAL A 33 27.207 9.132 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 33 25.674 10.517 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 33 26.277 7.555 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.257 7.228 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.521 8.121 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.121 8.991 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.062 7.423 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 33 23.918 9.194 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.183 8.458 -4.080 1.00 0.00 H new ATOM 476 N GLU A 34 27.395 10.697 0.014 1.00 0.00 N ATOM 477 CA GLU A 34 28.279 10.783 1.163 1.00 0.00 C ATOM 478 C GLU A 34 27.498 10.520 2.443 1.00 0.00 C ATOM 479 O GLU A 34 26.761 11.381 2.919 1.00 0.00 O ATOM 480 CB GLU A 34 28.930 12.162 1.218 1.00 0.00 C ATOM 481 CG GLU A 34 29.763 12.487 -0.008 1.00 0.00 C ATOM 482 CD GLU A 34 30.244 13.919 -0.016 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.166 14.246 0.761 1.00 0.00 O ATOM 484 OE2 GLU A 34 29.695 14.728 -0.790 1.00 0.00 O ATOM 0 H GLU A 34 26.797 11.513 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 34 29.060 10.029 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 34 28.153 12.918 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.563 12.221 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.623 11.818 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.172 12.300 -0.905 1.00 0.00 H new ATOM 491 N ILE A 35 27.644 9.323 2.981 1.00 0.00 N ATOM 492 CA ILE A 35 26.899 8.921 4.164 1.00 0.00 C ATOM 493 C ILE A 35 27.603 9.386 5.438 1.00 0.00 C ATOM 494 O ILE A 35 28.796 9.139 5.625 1.00 0.00 O ATOM 495 CB ILE A 35 26.708 7.390 4.204 1.00 0.00 C ATOM 496 CG1 ILE A 35 25.989 6.916 2.936 1.00 0.00 C ATOM 497 CG2 ILE A 35 25.922 6.986 5.442 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.825 5.412 2.851 1.00 0.00 C ATOM 0 H ILE A 35 28.274 8.608 2.617 1.00 0.00 H new ATOM 0 HA ILE A 35 25.919 9.396 4.110 1.00 0.00 H new ATOM 0 HB ILE A 35 27.688 6.916 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.005 7.382 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 26.545 7.261 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.796 5.903 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.463 7.299 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 35 24.943 7.465 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.308 5.154 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 35 26.806 4.938 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.243 5.061 3.703 1.00 0.00 H new ATOM 510 N VAL A 36 26.860 10.067 6.301 1.00 0.00 N ATOM 511 CA VAL A 36 27.403 10.587 7.547 1.00 0.00 C ATOM 512 C VAL A 36 26.577 10.107 8.738 1.00 0.00 C ATOM 513 O VAL A 36 25.373 10.363 8.818 1.00 0.00 O ATOM 514 CB VAL A 36 27.441 12.133 7.549 1.00 0.00 C ATOM 515 CG1 VAL A 36 28.074 12.657 8.830 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.185 12.657 6.330 1.00 0.00 C ATOM 0 H VAL A 36 25.871 10.273 6.158 1.00 0.00 H new ATOM 0 HA VAL A 36 28.423 10.211 7.633 1.00 0.00 H new ATOM 0 HB VAL A 36 26.414 12.496 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 36 28.090 13.747 8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.492 12.319 9.688 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.094 12.281 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.199 13.747 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.208 12.281 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.682 12.320 5.424 1.00 0.00 H new ATOM 526 N HIS A 37 27.225 9.394 9.648 1.00 0.00 N ATOM 527 CA HIS A 37 26.575 8.917 10.859 1.00 0.00 C ATOM 528 C HIS A 37 26.627 10.000 11.937 1.00 0.00 C ATOM 529 O HIS A 37 27.704 10.470 12.308 1.00 0.00 O ATOM 530 CB HIS A 37 27.263 7.640 11.351 1.00 0.00 C ATOM 531 CG HIS A 37 26.465 6.858 12.349 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.652 7.009 13.702 1.00 0.00 N ATOM 533 CD2 HIS A 37 25.515 5.914 12.137 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.818 6.160 14.280 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.110 5.476 13.371 1.00 0.00 N ATOM 0 H HIS A 37 28.208 9.132 9.569 1.00 0.00 H new ATOM 0 HA HIS A 37 25.531 8.690 10.641 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.476 7.002 10.493 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.221 7.906 11.797 1.00 0.00 H new ATOM 0 HD1 HIS A 37 27.301 7.645 14.166 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.148 5.573 11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.720 6.034 15.348 1.00 0.00 H new ATOM 543 N LEU A 38 25.461 10.392 12.432 1.00 0.00 N ATOM 544 CA LEU A 38 25.364 11.467 13.417 1.00 0.00 C ATOM 545 C LEU A 38 25.658 10.971 14.829 1.00 0.00 C ATOM 546 O LEU A 38 25.759 11.762 15.765 1.00 0.00 O ATOM 547 CB LEU A 38 23.977 12.107 13.368 1.00 0.00 C ATOM 548 CG LEU A 38 23.697 12.947 12.121 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.264 13.456 12.129 1.00 0.00 C ATOM 550 CD2 LEU A 38 24.676 14.111 12.042 1.00 0.00 C ATOM 0 H LEU A 38 24.565 9.982 12.168 1.00 0.00 H new ATOM 0 HA LEU A 38 26.117 12.213 13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.227 11.319 13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.853 12.738 14.248 1.00 0.00 H new ATOM 0 HG LEU A 38 23.830 12.318 11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.084 14.051 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.577 12.610 12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.102 14.072 13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.467 14.702 11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.568 14.738 12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.695 13.727 11.992 1.00 0.00 H new ATOM 562 N GLY A 39 25.823 9.666 14.977 1.00 0.00 N ATOM 563 CA GLY A 39 26.082 9.098 16.285 1.00 0.00 C ATOM 564 C GLY A 39 27.564 8.930 16.536 1.00 0.00 C ATOM 565 O GLY A 39 28.002 7.924 17.093 1.00 0.00 O ATOM 0 H GLY A 39 25.782 8.989 14.215 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.653 9.742 17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.587 8.130 16.367 1.00 0.00 H new ATOM 569 N THR A 40 28.338 9.920 16.117 1.00 0.00 N ATOM 570 CA THR A 40 29.785 9.861 16.241 1.00 0.00 C ATOM 571 C THR A 40 30.343 11.158 16.830 1.00 0.00 C ATOM 572 O THR A 40 30.942 11.157 17.907 1.00 0.00 O ATOM 573 CB THR A 40 30.440 9.597 14.868 1.00 0.00 C ATOM 574 OG1 THR A 40 29.869 8.423 14.273 1.00 0.00 O ATOM 575 CG2 THR A 40 31.947 9.417 15.002 1.00 0.00 C ATOM 0 H THR A 40 27.986 10.776 15.687 1.00 0.00 H new ATOM 0 HA THR A 40 30.022 9.039 16.917 1.00 0.00 H new ATOM 0 HB THR A 40 30.251 10.462 14.232 1.00 0.00 H new ATOM 0 HG1 THR A 40 30.287 8.262 13.402 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.380 9.233 14.019 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.385 10.320 15.428 1.00 0.00 H new ATOM 0 HG23 THR A 40 32.156 8.570 15.655 1.00 0.00 H new ATOM 583 N ASP A 41 30.120 12.265 16.133 1.00 0.00 N ATOM 584 CA ASP A 41 30.718 13.542 16.517 1.00 0.00 C ATOM 585 C ASP A 41 29.648 14.589 16.811 1.00 0.00 C ATOM 586 O ASP A 41 28.691 14.737 16.052 1.00 0.00 O ATOM 587 CB ASP A 41 31.649 14.039 15.410 1.00 0.00 C ATOM 588 CG ASP A 41 32.331 15.338 15.773 1.00 0.00 C ATOM 589 OD1 ASP A 41 33.313 15.303 16.541 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.884 16.399 15.302 1.00 0.00 O ATOM 0 H ASP A 41 29.532 12.307 15.301 1.00 0.00 H new ATOM 0 HA ASP A 41 31.294 13.384 17.429 1.00 0.00 H new ATOM 0 HB2 ASP A 41 32.404 13.280 15.205 1.00 0.00 H new ATOM 0 HB3 ASP A 41 31.077 14.176 14.492 1.00 0.00 H new ATOM 595 N LYS A 42 29.826 15.323 17.908 1.00 0.00 N ATOM 596 CA LYS A 42 28.839 16.310 18.344 1.00 0.00 C ATOM 597 C LYS A 42 28.910 17.592 17.521 1.00 0.00 C ATOM 598 O LYS A 42 27.909 18.295 17.367 1.00 0.00 O ATOM 599 CB LYS A 42 29.026 16.645 19.824 1.00 0.00 C ATOM 600 CG LYS A 42 28.754 15.479 20.757 1.00 0.00 C ATOM 601 CD LYS A 42 28.812 15.911 22.213 1.00 0.00 C ATOM 602 CE LYS A 42 28.501 14.756 23.148 1.00 0.00 C ATOM 603 NZ LYS A 42 28.493 15.179 24.573 1.00 0.00 N ATOM 0 H LYS A 42 30.645 15.253 18.512 1.00 0.00 H new ATOM 0 HA LYS A 42 27.857 15.862 18.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.047 16.993 19.982 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.364 17.470 20.086 1.00 0.00 H new ATOM 0 HG2 LYS A 42 27.773 15.058 20.539 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.486 14.691 20.580 1.00 0.00 H new ATOM 0 HD2 LYS A 42 29.803 16.306 22.437 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.101 16.720 22.382 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.530 14.332 22.890 1.00 0.00 H new ATOM 0 HE3 LYS A 42 29.240 13.967 23.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 28.277 14.360 25.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 29.427 15.560 24.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.770 15.913 24.713 1.00 0.00 H new ATOM 617 N ALA A 43 30.083 17.903 16.991 1.00 0.00 N ATOM 618 CA ALA A 43 30.251 19.114 16.202 1.00 0.00 C ATOM 619 C ALA A 43 29.604 18.951 14.836 1.00 0.00 C ATOM 620 O ALA A 43 29.029 19.894 14.292 1.00 0.00 O ATOM 621 CB ALA A 43 31.723 19.470 16.060 1.00 0.00 C ATOM 0 H ALA A 43 30.927 17.339 17.091 1.00 0.00 H new ATOM 0 HA ALA A 43 29.756 19.933 16.724 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.822 20.379 15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 43 32.155 19.633 17.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 32.249 18.654 15.564 1.00 0.00 H new ATOM 627 N ARG A 44 29.686 17.743 14.290 1.00 0.00 N ATOM 628 CA ARG A 44 29.079 17.447 12.999 1.00 0.00 C ATOM 629 C ARG A 44 27.557 17.371 13.103 1.00 0.00 C ATOM 630 O ARG A 44 26.860 17.337 12.090 1.00 0.00 O ATOM 631 CB ARG A 44 29.641 16.153 12.412 1.00 0.00 C ATOM 632 CG ARG A 44 31.137 16.216 12.147 1.00 0.00 C ATOM 633 CD ARG A 44 31.562 15.199 11.106 1.00 0.00 C ATOM 634 NE ARG A 44 30.928 15.457 9.814 1.00 0.00 N ATOM 635 CZ ARG A 44 31.243 14.830 8.685 1.00 0.00 C ATOM 636 NH1 ARG A 44 32.204 13.916 8.669 1.00 0.00 N ATOM 637 NH2 ARG A 44 30.599 15.136 7.570 1.00 0.00 N ATOM 0 H ARG A 44 30.167 16.954 14.721 1.00 0.00 H new ATOM 0 HA ARG A 44 29.330 18.266 12.325 1.00 0.00 H new ATOM 0 HB2 ARG A 44 29.434 15.331 13.097 1.00 0.00 H new ATOM 0 HB3 ARG A 44 29.122 15.929 11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.406 17.217 11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.680 16.036 13.075 1.00 0.00 H new ATOM 0 HD2 ARG A 44 32.646 15.225 10.992 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.301 14.197 11.447 1.00 0.00 H new ATOM 0 HE ARG A 44 30.195 16.165 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 44 32.707 13.690 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.440 13.439 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 44 29.868 15.847 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.834 14.660 6.699 1.00 0.00 H new ATOM 651 N ILE A 45 27.039 17.346 14.327 1.00 0.00 N ATOM 652 CA ILE A 45 25.602 17.464 14.534 1.00 0.00 C ATOM 653 C ILE A 45 25.151 18.858 14.107 1.00 0.00 C ATOM 654 O ILE A 45 24.093 19.028 13.501 1.00 0.00 O ATOM 655 CB ILE A 45 25.204 17.208 16.006 1.00 0.00 C ATOM 656 CG1 ILE A 45 25.605 15.789 16.424 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.706 17.416 16.204 1.00 0.00 C ATOM 658 CD1 ILE A 45 25.291 15.464 17.870 1.00 0.00 C ATOM 0 H ILE A 45 27.587 17.246 15.182 1.00 0.00 H new ATOM 0 HA ILE A 45 25.108 16.704 13.930 1.00 0.00 H new ATOM 0 HB ILE A 45 25.734 17.923 16.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 25.093 15.073 15.781 1.00 0.00 H new ATOM 0 HG13 ILE A 45 26.674 15.660 16.257 1.00 0.00 H new ATOM 0 HG21 ILE A 45 23.448 17.231 17.247 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.443 18.441 15.942 1.00 0.00 H new ATOM 0 HG23 ILE A 45 23.155 16.725 15.565 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.604 14.443 18.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.824 16.155 18.522 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.219 15.559 18.040 1.00 0.00 H new ATOM 670 N ALA A 46 25.994 19.846 14.392 1.00 0.00 N ATOM 671 CA ALA A 46 25.743 21.219 13.974 1.00 0.00 C ATOM 672 C ALA A 46 25.869 21.341 12.458 1.00 0.00 C ATOM 673 O ALA A 46 25.219 22.180 11.831 1.00 0.00 O ATOM 674 CB ALA A 46 26.707 22.169 14.670 1.00 0.00 C ATOM 0 H ALA A 46 26.861 19.719 14.914 1.00 0.00 H new ATOM 0 HA ALA A 46 24.727 21.491 14.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.507 23.191 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.574 22.096 15.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.732 21.901 14.412 1.00 0.00 H new ATOM 680 N GLU A 47 26.710 20.490 11.876 1.00 0.00 N ATOM 681 CA GLU A 47 26.865 20.418 10.427 1.00 0.00 C ATOM 682 C GLU A 47 25.551 19.982 9.788 1.00 0.00 C ATOM 683 O GLU A 47 25.114 20.548 8.784 1.00 0.00 O ATOM 684 CB GLU A 47 27.981 19.433 10.062 1.00 0.00 C ATOM 685 CG GLU A 47 28.221 19.296 8.569 1.00 0.00 C ATOM 686 CD GLU A 47 29.213 18.199 8.243 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.429 18.438 8.361 1.00 0.00 O ATOM 688 OE2 GLU A 47 28.781 17.089 7.858 1.00 0.00 O ATOM 0 H GLU A 47 27.299 19.836 12.391 1.00 0.00 H new ATOM 0 HA GLU A 47 27.134 21.405 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.906 19.755 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.735 18.453 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.275 19.087 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.588 20.243 8.174 1.00 0.00 H new ATOM 695 N ALA A 48 24.915 18.986 10.397 1.00 0.00 N ATOM 696 CA ALA A 48 23.622 18.499 9.935 1.00 0.00 C ATOM 697 C ALA A 48 22.576 19.604 9.998 1.00 0.00 C ATOM 698 O ALA A 48 21.732 19.727 9.109 1.00 0.00 O ATOM 699 CB ALA A 48 23.180 17.301 10.764 1.00 0.00 C ATOM 0 H ALA A 48 25.278 18.499 11.216 1.00 0.00 H new ATOM 0 HA ALA A 48 23.725 18.185 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.212 16.948 10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.915 16.502 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.096 17.594 11.811 1.00 0.00 H new ATOM 705 N GLU A 49 22.646 20.414 11.050 1.00 0.00 N ATOM 706 CA GLU A 49 21.739 21.544 11.211 1.00 0.00 C ATOM 707 C GLU A 49 21.938 22.554 10.084 1.00 0.00 C ATOM 708 O GLU A 49 20.979 23.142 9.585 1.00 0.00 O ATOM 709 CB GLU A 49 21.959 22.222 12.565 1.00 0.00 C ATOM 710 CG GLU A 49 21.825 21.276 13.747 1.00 0.00 C ATOM 711 CD GLU A 49 21.939 21.983 15.078 1.00 0.00 C ATOM 712 OE1 GLU A 49 23.067 22.325 15.486 1.00 0.00 O ATOM 713 OE2 GLU A 49 20.897 22.200 15.728 1.00 0.00 O ATOM 0 H GLU A 49 23.323 20.308 11.805 1.00 0.00 H new ATOM 0 HA GLU A 49 20.717 21.168 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.952 22.671 12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.240 23.034 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.863 20.767 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.596 20.508 13.681 1.00 0.00 H new ATOM 720 N LYS A 50 23.194 22.743 9.683 1.00 0.00 N ATOM 721 CA LYS A 50 23.525 23.636 8.576 1.00 0.00 C ATOM 722 C LYS A 50 22.981 23.086 7.263 1.00 0.00 C ATOM 723 O LYS A 50 22.495 23.835 6.415 1.00 0.00 O ATOM 724 CB LYS A 50 25.041 23.817 8.465 1.00 0.00 C ATOM 725 CG LYS A 50 25.664 24.535 9.647 1.00 0.00 C ATOM 726 CD LYS A 50 27.180 24.507 9.568 1.00 0.00 C ATOM 727 CE LYS A 50 27.811 25.285 10.708 1.00 0.00 C ATOM 728 NZ LYS A 50 29.291 25.143 10.723 1.00 0.00 N ATOM 0 H LYS A 50 24.001 22.288 10.110 1.00 0.00 H new ATOM 0 HA LYS A 50 23.064 24.604 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.507 22.837 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.265 24.374 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.317 25.568 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.337 24.066 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.528 23.474 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.504 24.928 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.548 26.339 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.403 24.935 11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.684 25.689 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.542 24.140 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.683 25.501 9.829 1.00 0.00 H new ATOM 742 N ALA A 51 23.073 21.771 7.104 1.00 0.00 N ATOM 743 CA ALA A 51 22.569 21.101 5.915 1.00 0.00 C ATOM 744 C ALA A 51 21.051 21.205 5.835 1.00 0.00 C ATOM 745 O ALA A 51 20.483 21.339 4.753 1.00 0.00 O ATOM 746 CB ALA A 51 23.005 19.644 5.907 1.00 0.00 C ATOM 0 H ALA A 51 23.495 21.145 7.790 1.00 0.00 H new ATOM 0 HA ALA A 51 22.988 21.596 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.621 19.154 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.094 19.590 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.613 19.142 6.792 1.00 0.00 H new ATOM 752 N GLY A 52 20.401 21.162 6.990 1.00 0.00 N ATOM 753 CA GLY A 52 18.955 21.256 7.029 1.00 0.00 C ATOM 754 C GLY A 52 18.314 20.008 7.595 1.00 0.00 C ATOM 755 O GLY A 52 17.089 19.863 7.572 1.00 0.00 O ATOM 0 H GLY A 52 20.849 21.064 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.665 22.116 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.577 21.431 6.022 1.00 0.00 H new ATOM 759 N VAL A 53 19.144 19.109 8.108 1.00 0.00 N ATOM 760 CA VAL A 53 18.673 17.859 8.686 1.00 0.00 C ATOM 761 C VAL A 53 17.846 18.124 9.937 1.00 0.00 C ATOM 762 O VAL A 53 18.300 18.788 10.868 1.00 0.00 O ATOM 763 CB VAL A 53 19.851 16.923 9.035 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.353 15.623 9.651 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.695 16.644 7.801 1.00 0.00 C ATOM 0 H VAL A 53 20.157 19.225 8.135 1.00 0.00 H new ATOM 0 HA VAL A 53 18.049 17.369 7.939 1.00 0.00 H new ATOM 0 HB VAL A 53 20.475 17.426 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.203 14.983 9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.799 15.842 10.564 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.700 15.112 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.520 15.983 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.079 16.167 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.092 17.582 7.412 1.00 0.00 H new ATOM 775 N LYS A 54 16.622 17.627 9.937 1.00 0.00 N ATOM 776 CA LYS A 54 15.726 17.791 11.073 1.00 0.00 C ATOM 777 C LYS A 54 15.269 16.437 11.597 1.00 0.00 C ATOM 778 O LYS A 54 14.709 16.331 12.689 1.00 0.00 O ATOM 779 CB LYS A 54 14.530 18.651 10.667 1.00 0.00 C ATOM 780 CG LYS A 54 14.916 20.087 10.373 1.00 0.00 C ATOM 781 CD LYS A 54 13.815 20.845 9.655 1.00 0.00 C ATOM 782 CE LYS A 54 14.203 22.301 9.456 1.00 0.00 C ATOM 783 NZ LYS A 54 15.494 22.445 8.733 1.00 0.00 N ATOM 0 H LYS A 54 16.222 17.103 9.159 1.00 0.00 H new ATOM 0 HA LYS A 54 16.262 18.295 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.059 18.218 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.788 18.635 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.154 20.595 11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.820 20.100 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.619 20.381 8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.891 20.786 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.418 22.811 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.276 22.792 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.412 23.200 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.246 22.687 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.729 21.549 8.261 1.00 0.00 H new ATOM 797 N SER A 55 15.523 15.402 10.813 1.00 0.00 N ATOM 798 CA SER A 55 15.201 14.045 11.209 1.00 0.00 C ATOM 799 C SER A 55 16.080 13.058 10.449 1.00 0.00 C ATOM 800 O SER A 55 16.790 13.443 9.521 1.00 0.00 O ATOM 801 CB SER A 55 13.713 13.766 10.972 1.00 0.00 C ATOM 802 OG SER A 55 13.279 14.290 9.731 1.00 0.00 O ATOM 0 H SER A 55 15.955 15.479 9.892 1.00 0.00 H new ATOM 0 HA SER A 55 15.399 13.923 12.274 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.535 12.691 10.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.126 14.205 11.779 1.00 0.00 H new ATOM 0 HG SER A 55 12.356 14.008 9.562 1.00 0.00 H new ATOM 808 N VAL A 56 16.050 11.801 10.856 1.00 0.00 N ATOM 809 CA VAL A 56 16.858 10.775 10.217 1.00 0.00 C ATOM 810 C VAL A 56 15.983 9.620 9.740 1.00 0.00 C ATOM 811 O VAL A 56 14.991 9.269 10.391 1.00 0.00 O ATOM 812 CB VAL A 56 17.961 10.237 11.161 1.00 0.00 C ATOM 813 CG1 VAL A 56 18.958 11.334 11.504 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.358 9.649 12.432 1.00 0.00 C ATOM 0 H VAL A 56 15.474 11.465 11.628 1.00 0.00 H new ATOM 0 HA VAL A 56 17.344 11.240 9.359 1.00 0.00 H new ATOM 0 HB VAL A 56 18.489 9.440 10.637 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.724 10.934 12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.425 11.700 10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.440 12.155 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.156 9.279 13.076 1.00 0.00 H new ATOM 0 HG22 VAL A 56 16.795 10.420 12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.691 8.827 12.172 1.00 0.00 H new ATOM 824 N PRO A 57 16.332 9.022 8.590 1.00 0.00 N ATOM 825 CA PRO A 57 17.480 9.447 7.786 1.00 0.00 C ATOM 826 C PRO A 57 17.152 10.611 6.847 1.00 0.00 C ATOM 827 O PRO A 57 16.002 10.799 6.445 1.00 0.00 O ATOM 828 CB PRO A 57 17.818 8.188 6.991 1.00 0.00 C ATOM 829 CG PRO A 57 16.517 7.473 6.826 1.00 0.00 C ATOM 830 CD PRO A 57 15.637 7.873 7.989 1.00 0.00 C ATOM 0 HA PRO A 57 18.298 9.820 8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.256 8.437 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.543 7.570 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.048 7.740 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.670 6.394 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.635 8.144 7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.526 7.057 8.703 1.00 0.00 H new ATOM 838 N ALA A 58 18.172 11.385 6.498 1.00 0.00 N ATOM 839 CA ALA A 58 17.991 12.560 5.659 1.00 0.00 C ATOM 840 C ALA A 58 18.980 12.574 4.504 1.00 0.00 C ATOM 841 O ALA A 58 20.181 12.390 4.703 1.00 0.00 O ATOM 842 CB ALA A 58 18.145 13.826 6.485 1.00 0.00 C ATOM 0 H ALA A 58 19.136 11.218 6.785 1.00 0.00 H new ATOM 0 HA ALA A 58 16.984 12.520 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.007 14.697 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.397 13.836 7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.141 13.854 6.926 1.00 0.00 H new ATOM 848 N LEU A 59 18.471 12.791 3.303 1.00 0.00 N ATOM 849 CA LEU A 59 19.307 12.896 2.120 1.00 0.00 C ATOM 850 C LEU A 59 19.408 14.354 1.685 1.00 0.00 C ATOM 851 O LEU A 59 18.462 14.916 1.134 1.00 0.00 O ATOM 852 CB LEU A 59 18.730 12.041 0.987 1.00 0.00 C ATOM 853 CG LEU A 59 19.515 12.064 -0.328 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.914 11.500 -0.135 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.771 11.284 -1.401 1.00 0.00 C ATOM 0 H LEU A 59 17.473 12.899 3.121 1.00 0.00 H new ATOM 0 HA LEU A 59 20.306 12.529 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.665 11.009 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.712 12.375 0.787 1.00 0.00 H new ATOM 0 HG LEU A 59 19.609 13.101 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.451 11.527 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.449 12.098 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.846 10.470 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.341 11.309 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.647 10.250 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.791 11.733 -1.564 1.00 0.00 H new ATOM 867 N VAL A 60 20.545 14.969 1.954 1.00 0.00 N ATOM 868 CA VAL A 60 20.753 16.365 1.613 1.00 0.00 C ATOM 869 C VAL A 60 21.390 16.481 0.234 1.00 0.00 C ATOM 870 O VAL A 60 22.593 16.264 0.065 1.00 0.00 O ATOM 871 CB VAL A 60 21.631 17.087 2.658 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.755 18.567 2.332 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.067 16.890 4.056 1.00 0.00 C ATOM 0 H VAL A 60 21.341 14.522 2.409 1.00 0.00 H new ATOM 0 HA VAL A 60 19.776 16.849 1.606 1.00 0.00 H new ATOM 0 HB VAL A 60 22.629 16.650 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.378 19.054 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.211 18.686 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 60 20.765 19.023 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.699 17.406 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.057 17.297 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.041 15.826 4.291 1.00 0.00 H new ATOM 883 N ILE A 61 20.567 16.800 -0.748 1.00 0.00 N ATOM 884 CA ILE A 61 21.015 16.920 -2.123 1.00 0.00 C ATOM 885 C ILE A 61 21.383 18.364 -2.434 1.00 0.00 C ATOM 886 O ILE A 61 20.518 19.245 -2.402 1.00 0.00 O ATOM 887 CB ILE A 61 19.927 16.438 -3.107 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.606 14.959 -2.858 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.369 16.656 -4.547 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.506 14.412 -3.744 1.00 0.00 C ATOM 0 H ILE A 61 19.572 16.983 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 61 21.895 16.288 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 61 19.023 17.023 -2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.510 14.370 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.317 14.831 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.588 16.310 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.550 17.718 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.286 16.097 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.337 13.361 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.588 14.974 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.800 14.506 -4.789 1.00 0.00 H new ATOM 902 N ASP A 62 22.674 18.596 -2.694 1.00 0.00 N ATOM 903 CA ASP A 62 23.206 19.923 -3.040 1.00 0.00 C ATOM 904 C ASP A 62 23.206 20.876 -1.843 1.00 0.00 C ATOM 905 O ASP A 62 24.196 21.560 -1.585 1.00 0.00 O ATOM 906 CB ASP A 62 22.429 20.542 -4.209 1.00 0.00 C ATOM 907 CG ASP A 62 22.868 21.960 -4.517 1.00 0.00 C ATOM 908 OD1 ASP A 62 23.826 22.135 -5.300 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.253 22.907 -3.984 1.00 0.00 O ATOM 0 H ASP A 62 23.385 17.865 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 62 24.242 19.775 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.562 19.924 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.364 20.538 -3.975 1.00 0.00 H new ATOM 914 N GLY A 63 22.108 20.892 -1.111 1.00 0.00 N ATOM 915 CA GLY A 63 21.955 21.811 -0.002 1.00 0.00 C ATOM 916 C GLY A 63 20.599 21.685 0.666 1.00 0.00 C ATOM 917 O GLY A 63 20.438 22.059 1.828 1.00 0.00 O ATOM 0 H GLY A 63 21.309 20.278 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.738 21.624 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.089 22.832 -0.358 1.00 0.00 H new ATOM 921 N ALA A 64 19.620 21.170 -0.070 1.00 0.00 N ATOM 922 CA ALA A 64 18.290 20.939 0.478 1.00 0.00 C ATOM 923 C ALA A 64 18.200 19.543 1.086 1.00 0.00 C ATOM 924 O ALA A 64 18.715 18.578 0.519 1.00 0.00 O ATOM 925 CB ALA A 64 17.235 21.117 -0.603 1.00 0.00 C ATOM 0 H ALA A 64 19.724 20.904 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 64 18.107 21.670 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.246 20.941 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.286 22.132 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.416 20.405 -1.409 1.00 0.00 H new ATOM 931 N ALA A 65 17.543 19.438 2.231 1.00 0.00 N ATOM 932 CA ALA A 65 17.457 18.175 2.945 1.00 0.00 C ATOM 933 C ALA A 65 16.147 17.453 2.652 1.00 0.00 C ATOM 934 O ALA A 65 15.062 17.949 2.963 1.00 0.00 O ATOM 935 CB ALA A 65 17.610 18.404 4.439 1.00 0.00 C ATOM 0 H ALA A 65 17.061 20.214 2.685 1.00 0.00 H new ATOM 0 HA ALA A 65 18.271 17.540 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.544 17.450 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.579 18.861 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.817 19.065 4.789 1.00 0.00 H new ATOM 941 N PHE A 66 16.258 16.282 2.046 1.00 0.00 N ATOM 942 CA PHE A 66 15.101 15.447 1.769 1.00 0.00 C ATOM 943 C PHE A 66 15.138 14.205 2.648 1.00 0.00 C ATOM 944 O PHE A 66 15.933 13.294 2.425 1.00 0.00 O ATOM 945 CB PHE A 66 15.063 15.056 0.289 1.00 0.00 C ATOM 946 CG PHE A 66 14.933 16.232 -0.634 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.687 16.728 -0.970 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.060 16.844 -1.158 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.564 17.814 -1.813 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.944 17.930 -2.002 1.00 0.00 C ATOM 951 CZ PHE A 66 14.695 18.416 -2.330 1.00 0.00 C ATOM 0 H PHE A 66 17.145 15.886 1.735 1.00 0.00 H new ATOM 0 HA PHE A 66 14.197 16.012 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 66 15.972 14.508 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.227 14.377 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.800 16.261 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.040 16.467 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.585 18.193 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.830 18.399 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.602 19.266 -2.990 1.00 0.00 H new ATOM 961 N HIS A 67 14.294 14.190 3.663 1.00 0.00 N ATOM 962 CA HIS A 67 14.247 13.085 4.609 1.00 0.00 C ATOM 963 C HIS A 67 13.620 11.858 3.960 1.00 0.00 C ATOM 964 O HIS A 67 12.703 11.980 3.150 1.00 0.00 O ATOM 965 CB HIS A 67 13.457 13.492 5.855 1.00 0.00 C ATOM 966 CG HIS A 67 14.018 14.694 6.554 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.507 15.968 6.430 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.064 14.795 7.408 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.240 16.783 7.197 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.200 16.119 7.815 1.00 0.00 N ATOM 0 H HIS A 67 13.626 14.936 3.856 1.00 0.00 H new ATOM 0 HA HIS A 67 15.265 12.835 4.907 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.425 13.696 5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.436 12.654 6.552 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.710 16.241 5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.694 13.977 7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.069 17.845 7.298 1.00 0.00 H new ATOM 978 N ILE A 68 14.119 10.682 4.305 1.00 0.00 N ATOM 979 CA ILE A 68 13.628 9.447 3.713 1.00 0.00 C ATOM 980 C ILE A 68 13.016 8.551 4.782 1.00 0.00 C ATOM 981 O ILE A 68 13.725 7.803 5.452 1.00 0.00 O ATOM 982 CB ILE A 68 14.754 8.681 2.980 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.433 9.588 1.949 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.195 7.436 2.303 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.602 8.938 1.241 1.00 0.00 C ATOM 0 H ILE A 68 14.863 10.556 4.991 1.00 0.00 H new ATOM 0 HA ILE A 68 12.865 9.717 2.983 1.00 0.00 H new ATOM 0 HB ILE A 68 15.498 8.373 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.696 9.895 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.780 10.493 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.000 6.908 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.751 6.782 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.434 7.726 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.031 9.641 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.359 8.656 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.259 8.048 0.713 1.00 0.00 H new ATOM 997 N ASN A 69 11.694 8.644 4.932 1.00 0.00 N ATOM 998 CA ASN A 69 10.956 7.910 5.966 1.00 0.00 C ATOM 999 C ASN A 69 11.337 8.392 7.362 1.00 0.00 C ATOM 1000 O ASN A 69 12.401 8.062 7.881 1.00 0.00 O ATOM 1001 CB ASN A 69 11.170 6.395 5.853 1.00 0.00 C ATOM 1002 CG ASN A 69 10.343 5.768 4.751 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.252 6.237 4.436 1.00 0.00 O ATOM 1004 ND2 ASN A 69 10.848 4.697 4.159 1.00 0.00 N ATOM 0 H ASN A 69 11.103 9.229 4.342 1.00 0.00 H new ATOM 0 HA ASN A 69 9.897 8.113 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.225 6.194 5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.917 5.925 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.328 4.233 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.757 4.336 4.447 1.00 0.00 H new ATOM 1011 N PHE A 70 10.455 9.182 7.964 1.00 0.00 N ATOM 1012 CA PHE A 70 10.692 9.726 9.293 1.00 0.00 C ATOM 1013 C PHE A 70 10.786 8.611 10.331 1.00 0.00 C ATOM 1014 O PHE A 70 9.789 7.967 10.661 1.00 0.00 O ATOM 1015 CB PHE A 70 9.576 10.708 9.669 1.00 0.00 C ATOM 1016 CG PHE A 70 9.699 11.274 11.060 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.593 12.297 11.329 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.923 10.778 12.099 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.712 12.816 12.605 1.00 0.00 C ATOM 1020 CE2 PHE A 70 9.039 11.293 13.376 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.935 12.313 13.629 1.00 0.00 C ATOM 0 H PHE A 70 9.566 9.460 7.549 1.00 0.00 H new ATOM 0 HA PHE A 70 11.643 10.258 9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.573 11.530 8.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.615 10.202 9.578 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.205 12.694 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.221 9.980 11.907 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.412 13.614 12.800 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.430 10.898 14.175 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.028 12.716 14.627 1.00 0.00 H new ATOM 1031 N GLY A 71 11.996 8.375 10.818 1.00 0.00 N ATOM 1032 CA GLY A 71 12.193 7.415 11.883 1.00 0.00 C ATOM 1033 C GLY A 71 12.408 8.102 13.213 1.00 0.00 C ATOM 1034 O GLY A 71 11.681 7.856 14.177 1.00 0.00 O ATOM 0 H GLY A 71 12.847 8.833 10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.326 6.758 11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.053 6.786 11.653 1.00 0.00 H new ATOM 1038 N ALA A 72 13.399 8.978 13.257 1.00 0.00 N ATOM 1039 CA ALA A 72 13.691 9.754 14.454 1.00 0.00 C ATOM 1040 C ALA A 72 14.037 11.184 14.065 1.00 0.00 C ATOM 1041 O ALA A 72 14.309 11.456 12.898 1.00 0.00 O ATOM 1042 CB ALA A 72 14.831 9.122 15.242 1.00 0.00 C ATOM 0 H ALA A 72 14.020 9.171 12.471 1.00 0.00 H new ATOM 0 HA ALA A 72 12.808 9.763 15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.032 9.718 16.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.552 8.111 15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.726 9.084 14.621 1.00 0.00 H new ATOM 1048 N GLY A 73 14.033 12.089 15.030 1.00 0.00 N ATOM 1049 CA GLY A 73 14.334 13.475 14.738 1.00 0.00 C ATOM 1050 C GLY A 73 15.731 13.850 15.179 1.00 0.00 C ATOM 1051 O GLY A 73 16.366 13.112 15.931 1.00 0.00 O ATOM 0 H GLY A 73 13.827 11.890 16.009 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.231 13.652 13.667 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.610 14.118 15.238 1.00 0.00 H new ATOM 1055 N ILE A 74 16.220 14.995 14.720 1.00 0.00 N ATOM 1056 CA ILE A 74 17.546 15.455 15.113 1.00 0.00 C ATOM 1057 C ILE A 74 17.556 15.814 16.597 1.00 0.00 C ATOM 1058 O ILE A 74 18.578 15.705 17.269 1.00 0.00 O ATOM 1059 CB ILE A 74 18.012 16.666 14.268 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.475 17.002 14.579 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.120 17.877 14.514 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.044 18.109 13.717 1.00 0.00 C ATOM 0 H ILE A 74 15.724 15.617 14.081 1.00 0.00 H new ATOM 0 HA ILE A 74 18.246 14.640 14.931 1.00 0.00 H new ATOM 0 HB ILE A 74 17.933 16.398 13.214 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.557 17.291 15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.080 16.105 14.448 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.468 18.714 13.909 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.093 17.634 14.241 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.160 18.150 15.568 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.082 18.290 13.996 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.996 17.815 12.669 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.464 19.020 13.865 1.00 0.00 H new ATOM 1074 N ASP A 75 16.390 16.205 17.105 1.00 0.00 N ATOM 1075 CA ASP A 75 16.237 16.584 18.505 1.00 0.00 C ATOM 1076 C ASP A 75 16.497 15.398 19.427 1.00 0.00 C ATOM 1077 O ASP A 75 16.904 15.576 20.573 1.00 0.00 O ATOM 1078 CB ASP A 75 14.835 17.146 18.760 1.00 0.00 C ATOM 1079 CG ASP A 75 14.583 18.441 18.015 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.224 18.383 16.821 1.00 0.00 O ATOM 1081 OD2 ASP A 75 14.734 19.523 18.624 1.00 0.00 O ATOM 0 H ASP A 75 15.530 16.268 16.561 1.00 0.00 H new ATOM 0 HA ASP A 75 16.974 17.357 18.722 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.091 16.408 18.460 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.704 17.314 19.829 1.00 0.00 H new ATOM 1086 N ASP A 76 16.280 14.190 18.915 1.00 0.00 N ATOM 1087 CA ASP A 76 16.529 12.972 19.685 1.00 0.00 C ATOM 1088 C ASP A 76 18.009 12.851 20.032 1.00 0.00 C ATOM 1089 O ASP A 76 18.367 12.401 21.120 1.00 0.00 O ATOM 1090 CB ASP A 76 16.076 11.729 18.909 1.00 0.00 C ATOM 1091 CG ASP A 76 14.568 11.612 18.802 1.00 0.00 C ATOM 1092 OD1 ASP A 76 13.944 11.063 19.737 1.00 0.00 O ATOM 1093 OD2 ASP A 76 13.999 12.060 17.785 1.00 0.00 O ATOM 0 H ASP A 76 15.932 14.027 17.970 1.00 0.00 H new ATOM 0 HA ASP A 76 15.951 13.037 20.607 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.504 11.757 17.907 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.470 10.839 19.399 1.00 0.00 H new ATOM 1098 N LEU A 77 18.862 13.269 19.106 1.00 0.00 N ATOM 1099 CA LEU A 77 20.306 13.222 19.315 1.00 0.00 C ATOM 1100 C LEU A 77 20.810 14.552 19.867 1.00 0.00 C ATOM 1101 O LEU A 77 21.869 14.625 20.491 1.00 0.00 O ATOM 1102 CB LEU A 77 21.018 12.900 17.997 1.00 0.00 C ATOM 1103 CG LEU A 77 20.623 11.570 17.350 1.00 0.00 C ATOM 1104 CD1 LEU A 77 21.340 11.398 16.019 1.00 0.00 C ATOM 1105 CD2 LEU A 77 20.935 10.407 18.281 1.00 0.00 C ATOM 0 H LEU A 77 18.580 13.645 18.201 1.00 0.00 H new ATOM 0 HA LEU A 77 20.525 12.438 20.040 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.818 13.704 17.289 1.00 0.00 H new ATOM 0 HB3 LEU A 77 22.093 12.893 18.176 1.00 0.00 H new ATOM 0 HG LEU A 77 19.549 11.580 17.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 21.050 10.448 15.570 1.00 0.00 H new ATOM 0 HD12 LEU A 77 21.067 12.214 15.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 22.418 11.408 16.182 1.00 0.00 H new ATOM 0 HD21 LEU A 77 20.647 9.471 17.803 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.003 10.390 18.497 1.00 0.00 H new ATOM 0 HD23 LEU A 77 20.379 10.526 19.211 1.00 0.00 H new ATOM 1117 N LYS A 78 20.037 15.601 19.629 1.00 0.00 N ATOM 1118 CA LYS A 78 20.381 16.943 20.077 1.00 0.00 C ATOM 1119 C LYS A 78 20.083 17.109 21.566 1.00 0.00 C ATOM 1120 O LYS A 78 20.734 17.894 22.259 1.00 0.00 O ATOM 1121 CB LYS A 78 19.604 17.964 19.240 1.00 0.00 C ATOM 1122 CG LYS A 78 19.880 19.419 19.578 1.00 0.00 C ATOM 1123 CD LYS A 78 19.371 20.334 18.473 1.00 0.00 C ATOM 1124 CE LYS A 78 19.468 21.802 18.851 1.00 0.00 C ATOM 1125 NZ LYS A 78 18.406 22.197 19.811 1.00 0.00 N ATOM 0 H LYS A 78 19.154 15.547 19.120 1.00 0.00 H new ATOM 0 HA LYS A 78 21.449 17.110 19.940 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.838 17.801 18.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 18.538 17.775 19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.398 19.676 20.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.951 19.569 19.716 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.945 20.156 17.564 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.334 20.087 18.248 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.446 22.000 19.289 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.391 22.414 17.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.506 23.206 20.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.473 22.032 19.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.494 21.631 20.679 1.00 0.00 H new ATOM 1177 N ALA B 2 14.004 -0.474 -16.685 1.00 0.00 N ATOM 1178 CA ALA B 2 14.487 -1.692 -16.052 1.00 0.00 C ATOM 1179 C ALA B 2 13.655 -2.011 -14.820 1.00 0.00 C ATOM 1180 O ALA B 2 12.792 -2.892 -14.854 1.00 0.00 O ATOM 1181 CB ALA B 2 15.961 -1.565 -15.693 1.00 0.00 C ATOM 0 HA ALA B 2 14.384 -2.515 -16.759 1.00 0.00 H new ATOM 0 HB1 ALA B 2 16.301 -2.487 -15.221 1.00 0.00 H new ATOM 0 HB2 ALA B 2 16.542 -1.385 -16.598 1.00 0.00 H new ATOM 0 HB3 ALA B 2 16.097 -0.732 -15.003 1.00 0.00 H new ATOM 1187 N SER B 3 13.897 -1.280 -13.747 1.00 0.00 N ATOM 1188 CA SER B 3 13.146 -1.457 -12.520 1.00 0.00 C ATOM 1189 C SER B 3 12.074 -0.372 -12.400 1.00 0.00 C ATOM 1190 O SER B 3 11.958 0.500 -13.268 1.00 0.00 O ATOM 1191 CB SER B 3 14.094 -1.431 -11.316 1.00 0.00 C ATOM 1192 OG SER B 3 13.427 -1.808 -10.122 1.00 0.00 O ATOM 0 H SER B 3 14.612 -0.554 -13.702 1.00 0.00 H new ATOM 0 HA SER B 3 12.648 -2.426 -12.540 1.00 0.00 H new ATOM 0 HB2 SER B 3 14.931 -2.106 -11.496 1.00 0.00 H new ATOM 0 HB3 SER B 3 14.511 -0.430 -11.201 1.00 0.00 H new ATOM 0 HG SER B 3 13.622 -1.155 -9.418 1.00 0.00 H new ATOM 1198 N LYS B 4 11.314 -0.423 -11.318 1.00 0.00 N ATOM 1199 CA LYS B 4 10.143 0.426 -11.142 1.00 0.00 C ATOM 1200 C LYS B 4 10.357 1.442 -10.022 1.00 0.00 C ATOM 1201 O LYS B 4 10.825 1.094 -8.941 1.00 0.00 O ATOM 1202 CB LYS B 4 8.934 -0.460 -10.827 1.00 0.00 C ATOM 1203 CG LYS B 4 7.684 0.297 -10.411 1.00 0.00 C ATOM 1204 CD LYS B 4 6.547 -0.660 -10.084 1.00 0.00 C ATOM 1205 CE LYS B 4 6.035 -1.375 -11.325 1.00 0.00 C ATOM 1206 NZ LYS B 4 5.209 -0.483 -12.181 1.00 0.00 N ATOM 0 H LYS B 4 11.490 -1.054 -10.536 1.00 0.00 H new ATOM 0 HA LYS B 4 9.969 0.984 -12.062 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.702 -1.061 -11.706 1.00 0.00 H new ATOM 0 HB3 LYS B 4 9.206 -1.152 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.903 0.917 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.378 0.969 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.889 -1.396 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.730 -0.108 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.880 -1.750 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.444 -2.241 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.866 -1.014 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.397 -0.131 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.785 0.321 -12.502 1.00 0.00 H new ATOM 1220 N ALA B 5 10.013 2.695 -10.291 1.00 0.00 N ATOM 1221 CA ALA B 5 10.082 3.745 -9.283 1.00 0.00 C ATOM 1222 C ALA B 5 8.851 4.640 -9.372 1.00 0.00 C ATOM 1223 O ALA B 5 8.766 5.512 -10.233 1.00 0.00 O ATOM 1224 CB ALA B 5 11.356 4.566 -9.447 1.00 0.00 C ATOM 0 H ALA B 5 9.682 3.010 -11.203 1.00 0.00 H new ATOM 0 HA ALA B 5 10.104 3.280 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.388 5.344 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA B 5 12.224 3.916 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.368 5.025 -10.435 1.00 0.00 H new ATOM 1230 N ILE B 6 7.896 4.413 -8.486 1.00 0.00 N ATOM 1231 CA ILE B 6 6.633 5.137 -8.528 1.00 0.00 C ATOM 1232 C ILE B 6 6.672 6.335 -7.590 1.00 0.00 C ATOM 1233 O ILE B 6 7.149 6.236 -6.464 1.00 0.00 O ATOM 1234 CB ILE B 6 5.447 4.232 -8.129 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.468 2.932 -8.935 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.129 4.963 -8.343 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.387 1.951 -8.528 1.00 0.00 C ATOM 0 H ILE B 6 7.969 3.734 -7.729 1.00 0.00 H new ATOM 0 HA ILE B 6 6.491 5.474 -9.555 1.00 0.00 H new ATOM 0 HB ILE B 6 5.543 3.985 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.354 3.168 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.442 2.457 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.302 4.313 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.110 5.865 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.030 5.235 -9.394 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.462 1.053 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.513 1.686 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.408 2.408 -8.672 1.00 0.00 H new ATOM 1249 N PHE B 7 6.173 7.467 -8.053 1.00 0.00 N ATOM 1250 CA PHE B 7 6.142 8.669 -7.240 1.00 0.00 C ATOM 1251 C PHE B 7 4.700 9.118 -7.029 1.00 0.00 C ATOM 1252 O PHE B 7 4.000 9.446 -7.984 1.00 0.00 O ATOM 1253 CB PHE B 7 6.957 9.779 -7.911 1.00 0.00 C ATOM 1254 CG PHE B 7 7.127 11.010 -7.063 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.021 11.018 -6.004 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.395 12.158 -7.326 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.181 12.146 -5.223 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.553 13.288 -6.549 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.448 13.282 -5.496 1.00 0.00 C ATOM 0 H PHE B 7 5.783 7.579 -8.989 1.00 0.00 H new ATOM 0 HA PHE B 7 6.585 8.453 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE B 7 7.942 9.388 -8.168 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.471 10.058 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.599 10.132 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE B 7 5.694 12.168 -8.147 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.879 12.138 -4.399 1.00 0.00 H new ATOM 0 HE2 PHE B 7 5.978 14.176 -6.764 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.573 14.166 -4.888 1.00 0.00 H new ATOM 1269 N TYR B 8 4.257 9.112 -5.780 1.00 0.00 N ATOM 1270 CA TYR B 8 2.893 9.507 -5.458 1.00 0.00 C ATOM 1271 C TYR B 8 2.858 10.883 -4.812 1.00 0.00 C ATOM 1272 O TYR B 8 3.604 11.155 -3.869 1.00 0.00 O ATOM 1273 CB TYR B 8 2.227 8.486 -4.529 1.00 0.00 C ATOM 1274 CG TYR B 8 1.750 7.236 -5.230 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.598 7.257 -6.004 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.440 6.036 -5.114 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.150 6.121 -6.648 1.00 0.00 C ATOM 1278 CE2 TYR B 8 1.998 4.896 -5.756 1.00 0.00 C ATOM 1279 CZ TYR B 8 0.850 4.944 -6.522 1.00 0.00 C ATOM 1280 OH TYR B 8 0.405 3.813 -7.166 1.00 0.00 O ATOM 0 H TYR B 8 4.820 8.839 -4.975 1.00 0.00 H new ATOM 0 HA TYR B 8 2.338 9.545 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR B 8 2.934 8.205 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.378 8.959 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.043 8.178 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.336 5.994 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.747 6.157 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR B 8 2.548 3.971 -5.659 1.00 0.00 H new ATOM 0 HH TYR B 8 1.012 3.068 -6.975 1.00 0.00 H new ATOM 1290 N HIS B 9 1.998 11.748 -5.333 1.00 0.00 N ATOM 1291 CA HIS B 9 1.786 13.065 -4.749 1.00 0.00 C ATOM 1292 C HIS B 9 0.405 13.580 -5.130 1.00 0.00 C ATOM 1293 O HIS B 9 -0.223 13.053 -6.043 1.00 0.00 O ATOM 1294 CB HIS B 9 2.876 14.054 -5.192 1.00 0.00 C ATOM 1295 CG HIS B 9 2.791 14.489 -6.625 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.225 15.689 -6.969 1.00 0.00 N ATOM 1297 CD2 HIS B 9 3.244 13.875 -7.743 1.00 0.00 C ATOM 1298 CE1 HIS B 9 2.344 15.782 -8.282 1.00 0.00 C ATOM 1299 NE2 HIS B 9 2.956 14.706 -8.797 1.00 0.00 N ATOM 0 H HIS B 9 1.434 11.560 -6.162 1.00 0.00 H new ATOM 0 HA HIS B 9 1.847 12.976 -3.664 1.00 0.00 H new ATOM 0 HB2 HIS B 9 2.824 14.938 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS B 9 3.851 13.597 -5.024 1.00 0.00 H new ATOM 0 HD2 HIS B 9 3.737 12.916 -7.796 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.992 16.619 -8.867 1.00 0.00 H new ATOM 0 HE2 HIS B 9 3.167 14.538 -9.781 1.00 0.00 H new ATOM 1307 N ALA B 10 -0.071 14.599 -4.428 1.00 0.00 N ATOM 1308 CA ALA B 10 -1.391 15.147 -4.695 1.00 0.00 C ATOM 1309 C ALA B 10 -1.312 16.632 -5.032 1.00 0.00 C ATOM 1310 O ALA B 10 -2.328 17.325 -5.071 1.00 0.00 O ATOM 1311 CB ALA B 10 -2.304 14.916 -3.501 1.00 0.00 C ATOM 0 H ALA B 10 0.436 15.061 -3.673 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.807 14.632 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.290 15.330 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -2.393 13.846 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -1.885 15.406 -2.622 1.00 0.00 H new ATOM 1317 N GLY B 11 -0.103 17.112 -5.293 1.00 0.00 N ATOM 1318 CA GLY B 11 0.083 18.514 -5.613 1.00 0.00 C ATOM 1319 C GLY B 11 0.401 19.357 -4.392 1.00 0.00 C ATOM 1320 O GLY B 11 -0.502 19.734 -3.639 1.00 0.00 O ATOM 0 H GLY B 11 0.752 16.556 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY B 11 0.891 18.613 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.820 18.897 -6.088 1.00 0.00 H new ATOM 1324 N CYS B 12 1.684 19.632 -4.190 1.00 0.00 N ATOM 1325 CA CYS B 12 2.145 20.489 -3.102 1.00 0.00 C ATOM 1326 C CYS B 12 3.634 20.787 -3.273 1.00 0.00 C ATOM 1327 O CYS B 12 4.344 20.021 -3.922 1.00 0.00 O ATOM 1328 CB CYS B 12 1.879 19.830 -1.742 1.00 0.00 C ATOM 1329 SG CYS B 12 2.345 18.087 -1.653 1.00 0.00 S ATOM 0 H CYS B 12 2.435 19.267 -4.776 1.00 0.00 H new ATOM 0 HA CYS B 12 1.591 21.427 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS B 12 2.423 20.379 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS B 12 0.818 19.922 -1.509 1.00 0.00 H new ATOM 0 HG CYS B 12 2.959 17.746 -2.747 1.00 0.00 H new ATOM 1335 N PRO B 13 4.127 21.903 -2.704 1.00 0.00 N ATOM 1336 CA PRO B 13 5.534 22.319 -2.836 1.00 0.00 C ATOM 1337 C PRO B 13 6.523 21.223 -2.432 1.00 0.00 C ATOM 1338 O PRO B 13 7.643 21.169 -2.943 1.00 0.00 O ATOM 1339 CB PRO B 13 5.656 23.527 -1.891 1.00 0.00 C ATOM 1340 CG PRO B 13 4.418 23.513 -1.059 1.00 0.00 C ATOM 1341 CD PRO B 13 3.358 22.863 -1.898 1.00 0.00 C ATOM 0 HA PRO B 13 5.780 22.548 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO B 13 6.547 23.449 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.740 24.457 -2.453 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.577 22.959 -0.134 1.00 0.00 H new ATOM 0 HG3 PRO B 13 4.126 24.525 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.605 22.366 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.834 23.588 -2.522 1.00 0.00 H new ATOM 1349 N VAL B 14 6.091 20.342 -1.531 1.00 0.00 N ATOM 1350 CA VAL B 14 6.931 19.249 -1.048 1.00 0.00 C ATOM 1351 C VAL B 14 7.408 18.368 -2.204 1.00 0.00 C ATOM 1352 O VAL B 14 8.605 18.112 -2.348 1.00 0.00 O ATOM 1353 CB VAL B 14 6.179 18.368 -0.026 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.100 17.301 0.552 1.00 0.00 C ATOM 1355 CG2 VAL B 14 5.584 19.218 1.085 1.00 0.00 C ATOM 0 H VAL B 14 5.158 20.365 -1.119 1.00 0.00 H new ATOM 0 HA VAL B 14 7.792 19.706 -0.560 1.00 0.00 H new ATOM 0 HB VAL B 14 5.364 17.868 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL B 14 6.548 16.693 1.269 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.471 16.666 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL B 14 7.941 17.779 1.054 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.059 18.576 1.793 1.00 0.00 H new ATOM 0 HG22 VAL B 14 6.382 19.752 1.602 1.00 0.00 H new ATOM 0 HG23 VAL B 14 4.884 19.936 0.658 1.00 0.00 H new ATOM 1365 N CYS B 15 6.475 17.927 -3.040 1.00 0.00 N ATOM 1366 CA CYS B 15 6.809 17.016 -4.125 1.00 0.00 C ATOM 1367 C CYS B 15 7.476 17.749 -5.281 1.00 0.00 C ATOM 1368 O CYS B 15 8.226 17.148 -6.048 1.00 0.00 O ATOM 1369 CB CYS B 15 5.564 16.273 -4.612 1.00 0.00 C ATOM 1370 SG CYS B 15 4.187 17.339 -5.091 1.00 0.00 S ATOM 0 H CYS B 15 5.489 18.184 -2.987 1.00 0.00 H new ATOM 0 HA CYS B 15 7.519 16.287 -3.735 1.00 0.00 H new ATOM 0 HB2 CYS B 15 5.839 15.652 -5.465 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.227 15.600 -3.823 1.00 0.00 H new ATOM 0 HG CYS B 15 3.479 16.748 -6.008 1.00 0.00 H new ATOM 1376 N VAL B 16 7.213 19.047 -5.393 1.00 0.00 N ATOM 1377 CA VAL B 16 7.822 19.861 -6.440 1.00 0.00 C ATOM 1378 C VAL B 16 9.343 19.832 -6.321 1.00 0.00 C ATOM 1379 O VAL B 16 10.044 19.481 -7.272 1.00 0.00 O ATOM 1380 CB VAL B 16 7.330 21.326 -6.381 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.974 22.161 -7.479 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.814 21.386 -6.485 1.00 0.00 C ATOM 0 H VAL B 16 6.584 19.557 -4.773 1.00 0.00 H new ATOM 0 HA VAL B 16 7.522 19.435 -7.398 1.00 0.00 H new ATOM 0 HB VAL B 16 7.627 21.744 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.612 23.187 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.057 22.151 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.715 21.744 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.487 22.425 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.496 20.945 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.370 20.831 -5.658 1.00 0.00 H new ATOM 1392 N SER B 17 9.846 20.174 -5.141 1.00 0.00 N ATOM 1393 CA SER B 17 11.279 20.161 -4.889 1.00 0.00 C ATOM 1394 C SER B 17 11.824 18.734 -4.921 1.00 0.00 C ATOM 1395 O SER B 17 12.943 18.493 -5.378 1.00 0.00 O ATOM 1396 CB SER B 17 11.580 20.812 -3.540 1.00 0.00 C ATOM 1397 OG SER B 17 11.041 22.123 -3.481 1.00 0.00 O ATOM 0 H SER B 17 9.280 20.464 -4.343 1.00 0.00 H new ATOM 0 HA SER B 17 11.772 20.731 -5.676 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.161 20.205 -2.737 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.658 20.850 -3.382 1.00 0.00 H new ATOM 0 HG SER B 17 11.243 22.521 -2.609 1.00 0.00 H new ATOM 1403 N ALA B 18 11.018 17.788 -4.449 1.00 0.00 N ATOM 1404 CA ALA B 18 11.413 16.385 -4.431 1.00 0.00 C ATOM 1405 C ALA B 18 11.629 15.862 -5.848 1.00 0.00 C ATOM 1406 O ALA B 18 12.577 15.125 -6.112 1.00 0.00 O ATOM 1407 CB ALA B 18 10.367 15.550 -3.709 1.00 0.00 C ATOM 0 H ALA B 18 10.087 17.968 -4.074 1.00 0.00 H new ATOM 0 HA ALA B 18 12.357 16.303 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.676 14.505 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.264 15.903 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.410 15.643 -4.222 1.00 0.00 H new ATOM 1413 N GLU B 19 10.748 16.262 -6.754 1.00 0.00 N ATOM 1414 CA GLU B 19 10.847 15.875 -8.155 1.00 0.00 C ATOM 1415 C GLU B 19 12.128 16.433 -8.774 1.00 0.00 C ATOM 1416 O GLU B 19 12.831 15.743 -9.511 1.00 0.00 O ATOM 1417 CB GLU B 19 9.624 16.391 -8.918 1.00 0.00 C ATOM 1418 CG GLU B 19 9.547 15.922 -10.360 1.00 0.00 C ATOM 1419 CD GLU B 19 8.437 16.608 -11.128 1.00 0.00 C ATOM 1420 OE1 GLU B 19 7.297 16.101 -11.127 1.00 0.00 O ATOM 1421 OE2 GLU B 19 8.700 17.668 -11.733 1.00 0.00 O ATOM 0 H GLU B 19 9.949 16.860 -6.541 1.00 0.00 H new ATOM 0 HA GLU B 19 10.879 14.787 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.722 16.072 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.633 17.481 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU B 19 10.500 16.114 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU B 19 9.388 14.844 -10.381 1.00 0.00 H new ATOM 1428 N GLN B 20 12.436 17.680 -8.444 1.00 0.00 N ATOM 1429 CA GLN B 20 13.611 18.354 -8.985 1.00 0.00 C ATOM 1430 C GLN B 20 14.903 17.666 -8.551 1.00 0.00 C ATOM 1431 O GLN B 20 15.837 17.532 -9.340 1.00 0.00 O ATOM 1432 CB GLN B 20 13.637 19.817 -8.540 1.00 0.00 C ATOM 1433 CG GLN B 20 12.446 20.624 -9.026 1.00 0.00 C ATOM 1434 CD GLN B 20 12.439 22.038 -8.482 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.932 22.301 -7.383 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.884 22.961 -9.248 1.00 0.00 N ATOM 0 H GLN B 20 11.886 18.249 -7.801 1.00 0.00 H new ATOM 0 HA GLN B 20 13.545 18.304 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.671 19.856 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.553 20.282 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.455 20.658 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.526 20.120 -8.730 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.487 22.703 -10.151 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.853 23.932 -8.936 1.00 0.00 H new ATOM 1445 N ALA B 21 14.956 17.226 -7.304 1.00 0.00 N ATOM 1446 CA ALA B 21 16.177 16.642 -6.766 1.00 0.00 C ATOM 1447 C ALA B 21 16.176 15.117 -6.851 1.00 0.00 C ATOM 1448 O ALA B 21 16.990 14.527 -7.560 1.00 0.00 O ATOM 1449 CB ALA B 21 16.381 17.093 -5.331 1.00 0.00 C ATOM 0 H ALA B 21 14.175 17.261 -6.649 1.00 0.00 H new ATOM 0 HA ALA B 21 17.006 16.996 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA B 21 17.296 16.651 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.460 18.180 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.534 16.772 -4.725 1.00 0.00 H new ATOM 1455 N VAL B 22 15.244 14.486 -6.147 1.00 0.00 N ATOM 1456 CA VAL B 22 15.245 13.032 -5.989 1.00 0.00 C ATOM 1457 C VAL B 22 14.947 12.319 -7.307 1.00 0.00 C ATOM 1458 O VAL B 22 15.619 11.348 -7.660 1.00 0.00 O ATOM 1459 CB VAL B 22 14.225 12.582 -4.919 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.369 11.095 -4.629 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.388 13.395 -3.641 1.00 0.00 C ATOM 0 H VAL B 22 14.474 14.958 -5.674 1.00 0.00 H new ATOM 0 HA VAL B 22 16.248 12.755 -5.663 1.00 0.00 H new ATOM 0 HB VAL B 22 13.223 12.759 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.641 10.800 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.194 10.527 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.375 10.891 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.660 13.061 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.395 13.256 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.226 14.451 -3.858 1.00 0.00 H new ATOM 1471 N ALA B 23 13.961 12.815 -8.050 1.00 0.00 N ATOM 1472 CA ALA B 23 13.561 12.184 -9.305 1.00 0.00 C ATOM 1473 C ALA B 23 14.600 12.411 -10.400 1.00 0.00 C ATOM 1474 O ALA B 23 14.531 11.808 -11.468 1.00 0.00 O ATOM 1475 CB ALA B 23 12.196 12.687 -9.746 1.00 0.00 C ATOM 0 H ALA B 23 13.426 13.649 -7.806 1.00 0.00 H new ATOM 0 HA ALA B 23 13.494 11.110 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.916 12.205 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.456 12.451 -8.981 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.235 13.767 -9.891 1.00 0.00 H new ATOM 1481 N ASN B 24 15.561 13.286 -10.130 1.00 0.00 N ATOM 1482 CA ASN B 24 16.660 13.520 -11.061 1.00 0.00 C ATOM 1483 C ASN B 24 17.941 12.877 -10.545 1.00 0.00 C ATOM 1484 O ASN B 24 18.959 12.852 -11.236 1.00 0.00 O ATOM 1485 CB ASN B 24 16.876 15.018 -11.284 1.00 0.00 C ATOM 1486 CG ASN B 24 15.910 15.606 -12.297 1.00 0.00 C ATOM 1487 OD1 ASN B 24 16.205 15.662 -13.491 1.00 0.00 O ATOM 1488 ND2 ASN B 24 14.752 16.053 -11.833 1.00 0.00 N ATOM 0 H ASN B 24 15.603 13.844 -9.277 1.00 0.00 H new ATOM 0 HA ASN B 24 16.397 13.064 -12.016 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.764 15.542 -10.335 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.898 15.187 -11.623 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.070 16.461 -12.472 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.543 15.989 -10.837 1.00 0.00 H new ATOM 1495 N ALA B 25 17.884 12.368 -9.320 1.00 0.00 N ATOM 1496 CA ALA B 25 19.020 11.683 -8.720 1.00 0.00 C ATOM 1497 C ALA B 25 19.083 10.241 -9.202 1.00 0.00 C ATOM 1498 O ALA B 25 20.162 9.697 -9.448 1.00 0.00 O ATOM 1499 CB ALA B 25 18.933 11.739 -7.201 1.00 0.00 C ATOM 0 H ALA B 25 17.059 12.418 -8.722 1.00 0.00 H new ATOM 0 HA ALA B 25 19.935 12.189 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.790 11.222 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.934 12.779 -6.875 1.00 0.00 H new ATOM 0 HB3 ALA B 25 18.013 11.256 -6.871 1.00 0.00 H new ATOM 1505 N ILE B 26 17.919 9.631 -9.342 1.00 0.00 N ATOM 1506 CA ILE B 26 17.826 8.274 -9.851 1.00 0.00 C ATOM 1507 C ILE B 26 17.846 8.297 -11.374 1.00 0.00 C ATOM 1508 O ILE B 26 17.168 9.113 -11.998 1.00 0.00 O ATOM 1509 CB ILE B 26 16.545 7.568 -9.353 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.520 7.545 -7.822 1.00 0.00 C ATOM 1511 CG2 ILE B 26 16.462 6.153 -9.910 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.291 6.882 -7.237 1.00 0.00 C ATOM 0 H ILE B 26 17.022 10.056 -9.109 1.00 0.00 H new ATOM 0 HA ILE B 26 18.683 7.713 -9.478 1.00 0.00 H new ATOM 0 HB ILE B 26 15.678 8.125 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.407 7.024 -7.462 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.579 8.569 -7.452 1.00 0.00 H new ATOM 0 HG21 ILE B 26 15.553 5.672 -9.548 1.00 0.00 H new ATOM 0 HG22 ILE B 26 16.443 6.191 -10.999 1.00 0.00 H new ATOM 0 HG23 ILE B 26 17.330 5.581 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.348 6.906 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.399 7.415 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE B 26 15.240 5.847 -7.575 1.00 0.00 H new ATOM 1524 N ASP B 27 18.638 7.417 -11.969 1.00 0.00 N ATOM 1525 CA ASP B 27 18.790 7.394 -13.417 1.00 0.00 C ATOM 1526 C ASP B 27 17.690 6.549 -14.062 1.00 0.00 C ATOM 1527 O ASP B 27 17.503 5.382 -13.701 1.00 0.00 O ATOM 1528 CB ASP B 27 20.169 6.854 -13.801 1.00 0.00 C ATOM 1529 CG ASP B 27 20.499 7.109 -15.257 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.906 6.444 -16.126 1.00 0.00 O ATOM 1531 OD2 ASP B 27 21.345 7.991 -15.530 1.00 0.00 O ATOM 0 H ASP B 27 19.184 6.712 -11.474 1.00 0.00 H new ATOM 0 HA ASP B 27 18.701 8.416 -13.787 1.00 0.00 H new ATOM 0 HB2 ASP B 27 20.928 7.319 -13.172 1.00 0.00 H new ATOM 0 HB3 ASP B 27 20.205 5.782 -13.604 1.00 0.00 H new ATOM 1536 N PRO B 28 16.959 7.133 -15.029 1.00 0.00 N ATOM 1537 CA PRO B 28 15.823 6.475 -15.698 1.00 0.00 C ATOM 1538 C PRO B 28 16.214 5.208 -16.461 1.00 0.00 C ATOM 1539 O PRO B 28 15.357 4.381 -16.783 1.00 0.00 O ATOM 1540 CB PRO B 28 15.306 7.542 -16.674 1.00 0.00 C ATOM 1541 CG PRO B 28 16.441 8.490 -16.849 1.00 0.00 C ATOM 1542 CD PRO B 28 17.176 8.497 -15.542 1.00 0.00 C ATOM 0 HA PRO B 28 15.084 6.140 -14.970 1.00 0.00 H new ATOM 0 HB2 PRO B 28 15.013 7.097 -17.625 1.00 0.00 H new ATOM 0 HB3 PRO B 28 14.427 8.049 -16.275 1.00 0.00 H new ATOM 0 HG2 PRO B 28 17.093 8.172 -17.662 1.00 0.00 H new ATOM 0 HG3 PRO B 28 16.081 9.488 -17.100 1.00 0.00 H new ATOM 0 HD2 PRO B 28 18.236 8.713 -15.677 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.781 9.251 -14.861 1.00 0.00 H new ATOM 1550 N SER B 29 17.504 5.049 -16.745 1.00 0.00 N ATOM 1551 CA SER B 29 17.986 3.870 -17.450 1.00 0.00 C ATOM 1552 C SER B 29 17.826 2.629 -16.571 1.00 0.00 C ATOM 1553 O SER B 29 17.687 1.509 -17.069 1.00 0.00 O ATOM 1554 CB SER B 29 19.455 4.054 -17.855 1.00 0.00 C ATOM 1555 OG SER B 29 19.926 2.964 -18.632 1.00 0.00 O ATOM 0 H SER B 29 18.231 5.721 -16.498 1.00 0.00 H new ATOM 0 HA SER B 29 17.393 3.736 -18.355 1.00 0.00 H new ATOM 0 HB2 SER B 29 19.563 4.979 -18.422 1.00 0.00 H new ATOM 0 HB3 SER B 29 20.069 4.155 -16.960 1.00 0.00 H new ATOM 0 HG SER B 29 20.864 3.115 -18.873 1.00 0.00 H new ATOM 1561 N LYS B 30 17.819 2.841 -15.262 1.00 0.00 N ATOM 1562 CA LYS B 30 17.707 1.745 -14.314 1.00 0.00 C ATOM 1563 C LYS B 30 16.332 1.715 -13.657 1.00 0.00 C ATOM 1564 O LYS B 30 15.802 0.646 -13.367 1.00 0.00 O ATOM 1565 CB LYS B 30 18.816 1.843 -13.262 1.00 0.00 C ATOM 1566 CG LYS B 30 20.180 1.451 -13.810 1.00 0.00 C ATOM 1567 CD LYS B 30 21.306 1.727 -12.825 1.00 0.00 C ATOM 1568 CE LYS B 30 21.644 3.207 -12.755 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.956 3.438 -12.097 1.00 0.00 N ATOM 0 H LYS B 30 17.890 3.764 -14.834 1.00 0.00 H new ATOM 0 HA LYS B 30 17.825 0.809 -14.860 1.00 0.00 H new ATOM 0 HB2 LYS B 30 18.861 2.863 -12.881 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.569 1.199 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS B 30 20.175 0.391 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.368 1.998 -14.734 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.018 1.373 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS B 30 22.192 1.165 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.663 3.624 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.863 3.734 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.377 4.317 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.819 3.519 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.591 2.640 -12.300 1.00 0.00 H new ATOM 1583 N TYR B 31 15.743 2.880 -13.435 1.00 0.00 N ATOM 1584 CA TYR B 31 14.429 2.956 -12.810 1.00 0.00 C ATOM 1585 C TYR B 31 13.499 3.858 -13.606 1.00 0.00 C ATOM 1586 O TYR B 31 13.845 4.996 -13.914 1.00 0.00 O ATOM 1587 CB TYR B 31 14.539 3.471 -11.373 1.00 0.00 C ATOM 1588 CG TYR B 31 15.072 2.452 -10.388 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.430 2.172 -10.306 1.00 0.00 C ATOM 1590 CD2 TYR B 31 14.209 1.771 -9.538 1.00 0.00 C ATOM 1591 CE1 TYR B 31 16.913 1.242 -9.404 1.00 0.00 C ATOM 1592 CE2 TYR B 31 14.687 0.842 -8.634 1.00 0.00 C ATOM 1593 CZ TYR B 31 16.038 0.580 -8.571 1.00 0.00 C ATOM 1594 OH TYR B 31 16.515 -0.344 -7.671 1.00 0.00 O ATOM 0 H TYR B 31 16.151 3.783 -13.677 1.00 0.00 H new ATOM 0 HA TYR B 31 14.013 1.949 -12.794 1.00 0.00 H new ATOM 0 HB2 TYR B 31 15.189 4.346 -11.361 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.555 3.801 -11.041 1.00 0.00 H new ATOM 0 HD1 TYR B 31 17.119 2.689 -10.957 1.00 0.00 H new ATOM 0 HD2 TYR B 31 13.149 1.971 -9.585 1.00 0.00 H new ATOM 0 HE1 TYR B 31 17.972 1.035 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR B 31 14.003 0.323 -7.979 1.00 0.00 H new ATOM 0 HH TYR B 31 15.768 -0.718 -7.159 1.00 0.00 H new ATOM 1604 N THR B 32 12.326 3.346 -13.945 1.00 0.00 N ATOM 1605 CA THR B 32 11.331 4.153 -14.627 1.00 0.00 C ATOM 1606 C THR B 32 10.489 4.904 -13.599 1.00 0.00 C ATOM 1607 O THR B 32 9.883 4.302 -12.709 1.00 0.00 O ATOM 1608 CB THR B 32 10.433 3.306 -15.568 1.00 0.00 C ATOM 1609 OG1 THR B 32 9.520 4.156 -16.276 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.653 2.239 -14.808 1.00 0.00 C ATOM 0 H THR B 32 12.043 2.384 -13.760 1.00 0.00 H new ATOM 0 HA THR B 32 11.854 4.870 -15.259 1.00 0.00 H new ATOM 0 HB THR B 32 11.091 2.799 -16.274 1.00 0.00 H new ATOM 0 HG1 THR B 32 8.959 3.613 -16.868 1.00 0.00 H new ATOM 0 HG21 THR B 32 9.039 1.671 -15.506 1.00 0.00 H new ATOM 0 HG22 THR B 32 10.350 1.566 -14.307 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.012 2.716 -14.066 1.00 0.00 H new ATOM 1618 N VAL B 33 10.489 6.224 -13.704 1.00 0.00 N ATOM 1619 CA VAL B 33 9.785 7.063 -12.748 1.00 0.00 C ATOM 1620 C VAL B 33 8.317 7.199 -13.135 1.00 0.00 C ATOM 1621 O VAL B 33 7.971 7.911 -14.080 1.00 0.00 O ATOM 1622 CB VAL B 33 10.426 8.463 -12.641 1.00 0.00 C ATOM 1623 CG1 VAL B 33 9.745 9.288 -11.555 1.00 0.00 C ATOM 1624 CG2 VAL B 33 11.921 8.350 -12.375 1.00 0.00 C ATOM 0 H VAL B 33 10.970 6.737 -14.443 1.00 0.00 H new ATOM 0 HA VAL B 33 9.858 6.578 -11.774 1.00 0.00 H new ATOM 0 HB VAL B 33 10.287 8.975 -13.593 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.213 10.271 -11.497 1.00 0.00 H new ATOM 0 HG12 VAL B 33 8.688 9.403 -11.795 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.846 8.781 -10.595 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.354 9.348 -12.303 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.085 7.815 -11.440 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.396 7.806 -13.192 1.00 0.00 H new ATOM 1634 N GLU B 34 7.462 6.497 -12.414 1.00 0.00 N ATOM 1635 CA GLU B 34 6.031 6.541 -12.659 1.00 0.00 C ATOM 1636 C GLU B 34 5.362 7.488 -11.671 1.00 0.00 C ATOM 1637 O GLU B 34 5.047 7.112 -10.544 1.00 0.00 O ATOM 1638 CB GLU B 34 5.428 5.137 -12.549 1.00 0.00 C ATOM 1639 CG GLU B 34 6.051 4.138 -13.511 1.00 0.00 C ATOM 1640 CD GLU B 34 5.466 2.746 -13.379 1.00 0.00 C ATOM 1641 OE1 GLU B 34 4.443 2.458 -14.040 1.00 0.00 O ATOM 1642 OE2 GLU B 34 6.028 1.930 -12.625 1.00 0.00 O ATOM 0 H GLU B 34 7.737 5.884 -11.647 1.00 0.00 H new ATOM 0 HA GLU B 34 5.858 6.911 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.553 4.775 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.356 5.194 -12.739 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.911 4.490 -14.533 1.00 0.00 H new ATOM 0 HG3 GLU B 34 7.126 4.093 -13.334 1.00 0.00 H new ATOM 1649 N ILE B 35 5.181 8.731 -12.088 1.00 0.00 N ATOM 1650 CA ILE B 35 4.577 9.739 -11.231 1.00 0.00 C ATOM 1651 C ILE B 35 3.055 9.687 -11.334 1.00 0.00 C ATOM 1652 O ILE B 35 2.489 9.836 -12.420 1.00 0.00 O ATOM 1653 CB ILE B 35 5.078 11.156 -11.584 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.592 11.248 -11.368 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.349 12.203 -10.751 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.182 12.598 -11.723 1.00 0.00 C ATOM 0 H ILE B 35 5.444 9.066 -13.015 1.00 0.00 H new ATOM 0 HA ILE B 35 4.875 9.518 -10.206 1.00 0.00 H new ATOM 0 HB ILE B 35 4.866 11.352 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.814 11.029 -10.324 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.082 10.480 -11.966 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.715 13.196 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.279 12.146 -10.951 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.531 12.017 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.257 12.584 -11.543 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.993 12.812 -12.775 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.721 13.370 -11.107 1.00 0.00 H new ATOM 1668 N VAL B 36 2.403 9.459 -10.205 1.00 0.00 N ATOM 1669 CA VAL B 36 0.953 9.379 -10.161 1.00 0.00 C ATOM 1670 C VAL B 36 0.383 10.529 -9.342 1.00 0.00 C ATOM 1671 O VAL B 36 0.752 10.724 -8.179 1.00 0.00 O ATOM 1672 CB VAL B 36 0.471 8.038 -9.565 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -1.049 7.949 -9.591 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.087 6.863 -10.311 1.00 0.00 C ATOM 0 H VAL B 36 2.859 9.325 -9.302 1.00 0.00 H new ATOM 0 HA VAL B 36 0.595 9.445 -11.188 1.00 0.00 H new ATOM 0 HB VAL B 36 0.798 7.994 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.365 6.996 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.471 8.765 -9.005 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.400 8.022 -10.620 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.734 5.929 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.796 6.906 -11.361 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.173 6.912 -10.233 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.507 11.288 -9.959 1.00 0.00 N ATOM 1685 CA HIS B 37 -1.129 12.425 -9.305 1.00 0.00 C ATOM 1686 C HIS B 37 -2.400 11.972 -8.593 1.00 0.00 C ATOM 1687 O HIS B 37 -3.406 11.649 -9.236 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.453 13.505 -10.340 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.639 14.875 -9.764 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -2.662 15.161 -8.896 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.916 15.999 -9.983 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.541 16.447 -8.611 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -1.497 16.998 -9.245 1.00 0.00 N ATOM 0 H HIS B 37 -0.816 11.135 -10.919 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.442 12.843 -8.569 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.650 13.539 -11.076 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.361 13.221 -10.872 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.047 16.091 -10.618 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -3.202 16.986 -7.949 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -1.194 17.970 -9.189 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.349 11.942 -7.269 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.468 11.474 -6.459 1.00 0.00 C ATOM 1703 C LEU B 38 -4.532 12.556 -6.304 1.00 0.00 C ATOM 1704 O LEU B 38 -5.599 12.314 -5.746 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.975 11.014 -5.084 1.00 0.00 C ATOM 1706 CG LEU B 38 -2.108 9.749 -5.100 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.574 9.448 -3.714 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.907 8.565 -5.615 1.00 0.00 C ATOM 0 H LEU B 38 -1.537 12.239 -6.727 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.922 10.628 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.403 11.823 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.840 10.836 -4.445 1.00 0.00 H new ATOM 0 HG LEU B 38 -1.265 9.924 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.962 8.547 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.968 10.285 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.407 9.295 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.277 7.675 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.767 8.397 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -3.251 8.771 -6.628 1.00 0.00 H new ATOM 1720 N GLY B 39 -4.233 13.751 -6.794 1.00 0.00 N ATOM 1721 CA GLY B 39 -5.220 14.810 -6.805 1.00 0.00 C ATOM 1722 C GLY B 39 -6.105 14.700 -8.025 1.00 0.00 C ATOM 1723 O GLY B 39 -7.300 15.004 -7.979 1.00 0.00 O ATOM 0 H GLY B 39 -3.325 14.005 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.828 14.757 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.721 15.779 -6.797 1.00 0.00 H new ATOM 1727 N THR B 40 -5.504 14.264 -9.121 1.00 0.00 N ATOM 1728 CA THR B 40 -6.232 13.977 -10.341 1.00 0.00 C ATOM 1729 C THR B 40 -7.019 12.677 -10.198 1.00 0.00 C ATOM 1730 O THR B 40 -8.192 12.596 -10.580 1.00 0.00 O ATOM 1731 CB THR B 40 -5.267 13.866 -11.538 1.00 0.00 C ATOM 1732 OG1 THR B 40 -4.557 15.101 -11.713 1.00 0.00 O ATOM 1733 CG2 THR B 40 -6.010 13.515 -12.820 1.00 0.00 C ATOM 0 H THR B 40 -4.499 14.100 -9.187 1.00 0.00 H new ATOM 0 HA THR B 40 -6.926 14.798 -10.521 1.00 0.00 H new ATOM 0 HB THR B 40 -4.560 13.064 -11.324 1.00 0.00 H new ATOM 0 HG1 THR B 40 -4.033 15.294 -10.908 1.00 0.00 H new ATOM 0 HG21 THR B 40 -5.300 13.445 -13.644 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.518 12.559 -12.696 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.744 14.290 -13.039 1.00 0.00 H new ATOM 1741 N ASP B 41 -6.377 11.663 -9.636 1.00 0.00 N ATOM 1742 CA ASP B 41 -7.016 10.370 -9.460 1.00 0.00 C ATOM 1743 C ASP B 41 -6.954 9.939 -8.002 1.00 0.00 C ATOM 1744 O ASP B 41 -5.904 9.529 -7.507 1.00 0.00 O ATOM 1745 CB ASP B 41 -6.351 9.317 -10.338 1.00 0.00 C ATOM 1746 CG ASP B 41 -7.141 8.028 -10.381 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -7.145 7.293 -9.379 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.765 7.751 -11.426 1.00 0.00 O ATOM 0 H ASP B 41 -5.417 11.712 -9.295 1.00 0.00 H new ATOM 0 HA ASP B 41 -8.060 10.466 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.240 9.707 -11.350 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -5.348 9.114 -9.963 1.00 0.00 H new ATOM 1753 N LYS B 42 -8.081 10.055 -7.316 1.00 0.00 N ATOM 1754 CA LYS B 42 -8.165 9.698 -5.909 1.00 0.00 C ATOM 1755 C LYS B 42 -8.519 8.226 -5.729 1.00 0.00 C ATOM 1756 O LYS B 42 -8.709 7.756 -4.606 1.00 0.00 O ATOM 1757 CB LYS B 42 -9.167 10.598 -5.189 1.00 0.00 C ATOM 1758 CG LYS B 42 -8.719 12.047 -5.118 1.00 0.00 C ATOM 1759 CD LYS B 42 -9.676 12.911 -4.314 1.00 0.00 C ATOM 1760 CE LYS B 42 -9.113 14.310 -4.128 1.00 0.00 C ATOM 1761 NZ LYS B 42 -10.021 15.186 -3.344 1.00 0.00 N ATOM 0 H LYS B 42 -8.956 10.396 -7.715 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.183 9.852 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -10.128 10.545 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -9.324 10.222 -4.178 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.726 12.096 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -8.633 12.448 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -10.638 12.966 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -9.856 12.454 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -8.149 14.247 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -8.933 14.759 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -9.593 16.129 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.933 15.270 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -10.173 14.773 -2.402 1.00 0.00 H new ATOM 1775 N ALA B 43 -8.596 7.496 -6.833 1.00 0.00 N ATOM 1776 CA ALA B 43 -8.865 6.068 -6.782 1.00 0.00 C ATOM 1777 C ALA B 43 -7.569 5.313 -6.526 1.00 0.00 C ATOM 1778 O ALA B 43 -7.558 4.263 -5.881 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.519 5.597 -8.074 1.00 0.00 C ATOM 0 H ALA B 43 -8.476 7.870 -7.774 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.558 5.866 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.712 4.526 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.460 6.127 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -8.854 5.800 -8.913 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.469 5.874 -7.024 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.139 5.323 -6.789 1.00 0.00 C ATOM 1787 C ARG B 44 -4.774 5.401 -5.307 1.00 0.00 C ATOM 1788 O ARG B 44 -3.885 4.688 -4.837 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.093 6.069 -7.624 1.00 0.00 C ATOM 1790 CG ARG B 44 -4.264 5.897 -9.125 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.123 4.442 -9.539 1.00 0.00 C ATOM 1792 NE ARG B 44 -2.838 3.876 -9.125 1.00 0.00 N ATOM 1793 CZ ARG B 44 -2.642 2.586 -8.857 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -3.649 1.723 -8.939 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -1.440 2.163 -8.486 1.00 0.00 N ATOM 0 H ARG B 44 -6.475 6.717 -7.598 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.150 4.276 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -4.140 7.131 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.100 5.721 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -5.244 6.268 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -3.521 6.499 -9.648 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.934 3.860 -9.100 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -4.223 4.362 -10.621 1.00 0.00 H new ATOM 0 HE ARG B 44 -2.043 4.509 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -4.578 2.047 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -3.493 0.736 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -0.668 2.825 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -1.288 1.176 -8.280 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.466 6.271 -4.577 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.266 6.400 -3.137 1.00 0.00 C ATOM 1811 C ILE B 45 -5.608 5.088 -2.434 1.00 0.00 C ATOM 1812 O ILE B 45 -4.937 4.687 -1.482 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.120 7.549 -2.547 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -5.680 8.891 -3.142 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.016 7.580 -1.027 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -6.458 10.078 -2.613 1.00 0.00 C ATOM 0 H ILE B 45 -6.172 6.899 -4.961 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.215 6.637 -2.970 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.163 7.372 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.621 9.041 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.789 8.851 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.625 8.396 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.372 6.634 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -4.977 7.732 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -6.090 10.992 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -7.516 9.952 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -6.329 10.145 -1.533 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.636 4.409 -2.933 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.039 3.122 -2.383 1.00 0.00 C ATOM 1830 C ALA B 46 -5.927 2.096 -2.562 1.00 0.00 C ATOM 1831 O ALA B 46 -5.687 1.270 -1.683 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.324 2.640 -3.038 1.00 0.00 C ATOM 0 H ALA B 46 -7.204 4.729 -3.717 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.225 3.245 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.609 1.677 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.118 3.365 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.167 2.532 -4.111 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.239 2.170 -3.699 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.124 1.274 -3.992 1.00 0.00 C ATOM 1840 C GLU B 47 -2.997 1.493 -2.987 1.00 0.00 C ATOM 1841 O GLU B 47 -2.436 0.541 -2.440 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.599 1.533 -5.403 1.00 0.00 C ATOM 1843 CG GLU B 47 -2.645 0.464 -5.910 1.00 0.00 C ATOM 1844 CD GLU B 47 -3.364 -0.675 -6.598 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -3.979 -1.508 -5.906 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -3.315 -0.740 -7.846 1.00 0.00 O ATOM 0 H GLU B 47 -5.436 2.846 -4.437 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.478 0.245 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.444 1.606 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.091 2.497 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -1.936 0.914 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.066 0.072 -5.074 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.678 2.761 -2.750 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.645 3.134 -1.794 1.00 0.00 C ATOM 1855 C ALA B 48 -2.015 2.664 -0.392 1.00 0.00 C ATOM 1856 O ALA B 48 -1.155 2.226 0.380 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.438 4.641 -1.810 1.00 0.00 C ATOM 0 H ALA B 48 -3.125 3.553 -3.212 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.713 2.647 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.663 4.910 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.132 4.956 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.370 5.139 -1.542 1.00 0.00 H new ATOM 1863 N GLU B 49 -3.301 2.750 -0.078 1.00 0.00 N ATOM 1864 CA GLU B 49 -3.822 2.329 1.216 1.00 0.00 C ATOM 1865 C GLU B 49 -3.619 0.820 1.399 1.00 0.00 C ATOM 1866 O GLU B 49 -3.292 0.356 2.491 1.00 0.00 O ATOM 1867 CB GLU B 49 -5.307 2.712 1.311 1.00 0.00 C ATOM 1868 CG GLU B 49 -5.824 2.926 2.727 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.245 1.644 3.412 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -7.369 1.170 3.150 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -5.464 1.112 4.228 1.00 0.00 O ATOM 0 H GLU B 49 -4.012 3.113 -0.713 1.00 0.00 H new ATOM 0 HA GLU B 49 -3.282 2.834 2.017 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.469 3.625 0.739 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -5.900 1.930 0.837 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.047 3.409 3.321 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.673 3.609 2.697 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.789 0.065 0.312 1.00 0.00 N ATOM 1879 CA LYS B 50 -3.560 -1.383 0.329 1.00 0.00 C ATOM 1880 C LYS B 50 -2.120 -1.691 0.725 1.00 0.00 C ATOM 1881 O LYS B 50 -1.866 -2.466 1.651 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.823 -1.997 -1.052 1.00 0.00 C ATOM 1883 CG LYS B 50 -5.200 -1.708 -1.621 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.305 -2.204 -3.052 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.546 -1.672 -3.748 1.00 0.00 C ATOM 1886 NZ LYS B 50 -6.527 -1.982 -5.199 1.00 0.00 N ATOM 0 H LYS B 50 -4.085 0.432 -0.593 1.00 0.00 H new ATOM 0 HA LYS B 50 -4.248 -1.813 1.057 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.071 -1.626 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -3.691 -3.077 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.961 -2.190 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.395 -0.636 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -4.418 -1.899 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.325 -3.294 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.435 -2.108 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.611 -0.593 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.273 -1.439 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.601 -1.725 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.694 -2.999 -5.339 1.00 0.00 H new ATOM 1900 N ALA B 51 -1.186 -1.070 0.013 1.00 0.00 N ATOM 1901 CA ALA B 51 0.237 -1.311 0.224 1.00 0.00 C ATOM 1902 C ALA B 51 0.674 -0.857 1.610 1.00 0.00 C ATOM 1903 O ALA B 51 1.390 -1.574 2.309 1.00 0.00 O ATOM 1904 CB ALA B 51 1.053 -0.603 -0.849 1.00 0.00 C ATOM 0 H ALA B 51 -1.391 -0.391 -0.720 1.00 0.00 H new ATOM 0 HA ALA B 51 0.413 -2.384 0.154 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.114 -0.790 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.768 -0.981 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA B 51 0.862 0.469 -0.803 1.00 0.00 H new ATOM 1910 N GLY B 52 0.230 0.324 2.008 1.00 0.00 N ATOM 1911 CA GLY B 52 0.593 0.847 3.307 1.00 0.00 C ATOM 1912 C GLY B 52 1.299 2.180 3.216 1.00 0.00 C ATOM 1913 O GLY B 52 2.196 2.473 4.007 1.00 0.00 O ATOM 0 H GLY B 52 -0.376 0.930 1.455 1.00 0.00 H new ATOM 0 HA2 GLY B 52 -0.305 0.956 3.915 1.00 0.00 H new ATOM 0 HA3 GLY B 52 1.239 0.131 3.816 1.00 0.00 H new ATOM 1917 N VAL B 53 0.906 2.989 2.242 1.00 0.00 N ATOM 1918 CA VAL B 53 1.467 4.322 2.093 1.00 0.00 C ATOM 1919 C VAL B 53 0.808 5.264 3.091 1.00 0.00 C ATOM 1920 O VAL B 53 -0.397 5.509 3.026 1.00 0.00 O ATOM 1921 CB VAL B 53 1.286 4.859 0.659 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.895 6.248 0.521 1.00 0.00 C ATOM 1923 CG2 VAL B 53 1.904 3.902 -0.350 1.00 0.00 C ATOM 0 H VAL B 53 0.202 2.745 1.545 1.00 0.00 H new ATOM 0 HA VAL B 53 2.538 4.265 2.290 1.00 0.00 H new ATOM 0 HB VAL B 53 0.218 4.934 0.455 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.755 6.607 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.406 6.930 1.216 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.960 6.202 0.747 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.767 4.297 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL B 53 2.969 3.794 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.419 2.929 -0.273 1.00 0.00 H new ATOM 1933 N LYS B 54 1.605 5.777 4.016 1.00 0.00 N ATOM 1934 CA LYS B 54 1.089 6.588 5.110 1.00 0.00 C ATOM 1935 C LYS B 54 0.912 8.043 4.690 1.00 0.00 C ATOM 1936 O LYS B 54 0.029 8.741 5.188 1.00 0.00 O ATOM 1937 CB LYS B 54 2.030 6.501 6.316 1.00 0.00 C ATOM 1938 CG LYS B 54 1.559 7.300 7.520 1.00 0.00 C ATOM 1939 CD LYS B 54 2.531 7.191 8.680 1.00 0.00 C ATOM 1940 CE LYS B 54 2.054 7.998 9.876 1.00 0.00 C ATOM 1941 NZ LYS B 54 2.956 7.845 11.045 1.00 0.00 N ATOM 0 H LYS B 54 2.616 5.646 4.031 1.00 0.00 H new ATOM 0 HA LYS B 54 0.110 6.197 5.385 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.139 5.456 6.605 1.00 0.00 H new ATOM 0 HB3 LYS B 54 3.018 6.855 6.021 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.443 8.347 7.239 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.578 6.943 7.833 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.644 6.145 8.966 1.00 0.00 H new ATOM 0 HD3 LYS B 54 3.514 7.544 8.368 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.992 9.051 9.601 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.048 7.680 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.595 8.411 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.996 6.844 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 3.910 8.172 10.792 1.00 0.00 H new ATOM 1955 N SER B 55 1.754 8.508 3.785 1.00 0.00 N ATOM 1956 CA SER B 55 1.713 9.898 3.367 1.00 0.00 C ATOM 1957 C SER B 55 2.093 10.050 1.896 1.00 0.00 C ATOM 1958 O SER B 55 2.849 9.245 1.353 1.00 0.00 O ATOM 1959 CB SER B 55 2.661 10.727 4.238 1.00 0.00 C ATOM 1960 OG SER B 55 2.358 10.571 5.615 1.00 0.00 O ATOM 0 H SER B 55 2.472 7.947 3.327 1.00 0.00 H new ATOM 0 HA SER B 55 0.692 10.258 3.489 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.691 10.422 4.052 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.586 11.779 3.963 1.00 0.00 H new ATOM 0 HG SER B 55 2.606 11.386 6.099 1.00 0.00 H new ATOM 1966 N VAL B 56 1.548 11.077 1.255 1.00 0.00 N ATOM 1967 CA VAL B 56 1.955 11.437 -0.092 1.00 0.00 C ATOM 1968 C VAL B 56 3.267 12.238 -0.029 1.00 0.00 C ATOM 1969 O VAL B 56 3.834 12.357 1.060 1.00 0.00 O ATOM 1970 CB VAL B 56 0.840 12.179 -0.858 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.275 11.217 -1.221 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.283 13.329 -0.050 1.00 0.00 C ATOM 0 H VAL B 56 0.822 11.675 1.650 1.00 0.00 H new ATOM 0 HA VAL B 56 2.136 10.526 -0.662 1.00 0.00 H new ATOM 0 HB VAL B 56 1.278 12.587 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.056 11.752 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.122 10.421 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.693 10.785 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.500 13.829 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.134 12.950 0.883 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.080 14.039 0.171 1.00 0.00 H new ATOM 1982 N PRO B 57 3.659 12.975 -1.098 1.00 0.00 N ATOM 1983 CA PRO B 57 5.019 13.010 -1.594 1.00 0.00 C ATOM 1984 C PRO B 57 5.947 11.954 -0.999 1.00 0.00 C ATOM 1985 O PRO B 57 6.648 12.173 -0.011 1.00 0.00 O ATOM 1986 CB PRO B 57 5.375 14.444 -1.260 1.00 0.00 C ATOM 1987 CG PRO B 57 4.091 15.182 -1.572 1.00 0.00 C ATOM 1988 CD PRO B 57 2.989 14.127 -1.673 1.00 0.00 C ATOM 0 HA PRO B 57 5.126 12.755 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.665 14.557 -0.215 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.208 14.806 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.862 15.907 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.181 15.737 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.096 14.407 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.678 13.952 -2.703 1.00 0.00 H new ATOM 1996 N ALA B 58 5.918 10.790 -1.643 1.00 0.00 N ATOM 1997 CA ALA B 58 6.740 9.654 -1.266 1.00 0.00 C ATOM 1998 C ALA B 58 7.156 8.887 -2.515 1.00 0.00 C ATOM 1999 O ALA B 58 6.472 8.942 -3.540 1.00 0.00 O ATOM 2000 CB ALA B 58 5.980 8.741 -0.314 1.00 0.00 C ATOM 0 H ALA B 58 5.317 10.612 -2.447 1.00 0.00 H new ATOM 0 HA ALA B 58 7.632 10.015 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.610 7.894 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.709 9.296 0.584 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.076 8.378 -0.802 1.00 0.00 H new ATOM 2006 N LEU B 59 8.272 8.178 -2.429 1.00 0.00 N ATOM 2007 CA LEU B 59 8.800 7.435 -3.563 1.00 0.00 C ATOM 2008 C LEU B 59 8.739 5.933 -3.297 1.00 0.00 C ATOM 2009 O LEU B 59 9.309 5.441 -2.326 1.00 0.00 O ATOM 2010 CB LEU B 59 10.245 7.862 -3.841 1.00 0.00 C ATOM 2011 CG LEU B 59 10.912 7.195 -5.048 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.202 7.580 -6.336 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.382 7.577 -5.117 1.00 0.00 C ATOM 0 H LEU B 59 8.832 8.102 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 59 8.188 7.655 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.264 8.942 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.844 7.651 -2.955 1.00 0.00 H new ATOM 0 HG LEU B 59 10.838 6.114 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU B 59 10.692 7.095 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.161 7.260 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.243 8.662 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU B 59 12.843 7.096 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.473 8.659 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU B 59 12.886 7.251 -4.207 1.00 0.00 H new ATOM 2025 N VAL B 60 8.041 5.214 -4.160 1.00 0.00 N ATOM 2026 CA VAL B 60 7.929 3.770 -4.046 1.00 0.00 C ATOM 2027 C VAL B 60 8.913 3.094 -4.992 1.00 0.00 C ATOM 2028 O VAL B 60 8.692 3.037 -6.203 1.00 0.00 O ATOM 2029 CB VAL B 60 6.498 3.283 -4.358 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.378 1.777 -4.159 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.481 4.018 -3.497 1.00 0.00 C ATOM 0 H VAL B 60 7.539 5.612 -4.954 1.00 0.00 H new ATOM 0 HA VAL B 60 8.162 3.502 -3.016 1.00 0.00 H new ATOM 0 HB VAL B 60 6.288 3.504 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.360 1.460 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.074 1.266 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.614 1.527 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.479 3.660 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.694 3.833 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.540 5.088 -3.697 1.00 0.00 H new ATOM 2041 N ILE B 61 10.004 2.597 -4.437 1.00 0.00 N ATOM 2042 CA ILE B 61 11.040 1.955 -5.228 1.00 0.00 C ATOM 2043 C ILE B 61 10.801 0.452 -5.299 1.00 0.00 C ATOM 2044 O ILE B 61 10.984 -0.257 -4.306 1.00 0.00 O ATOM 2045 CB ILE B 61 12.445 2.231 -4.649 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.733 3.734 -4.669 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.509 1.473 -5.432 1.00 0.00 C ATOM 2048 CD1 ILE B 61 14.092 4.101 -4.114 1.00 0.00 C ATOM 0 H ILE B 61 10.196 2.626 -3.436 1.00 0.00 H new ATOM 0 HA ILE B 61 10.994 2.376 -6.232 1.00 0.00 H new ATOM 0 HB ILE B 61 12.471 1.881 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.660 4.095 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.964 4.250 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.491 1.682 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.309 0.403 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.489 1.791 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.224 5.182 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.163 3.771 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.869 3.614 -4.703 1.00 0.00 H new ATOM 2060 N ASP B 62 10.369 -0.004 -6.477 1.00 0.00 N ATOM 2061 CA ASP B 62 10.096 -1.421 -6.758 1.00 0.00 C ATOM 2062 C ASP B 62 8.915 -1.950 -5.944 1.00 0.00 C ATOM 2063 O ASP B 62 7.873 -2.308 -6.501 1.00 0.00 O ATOM 2064 CB ASP B 62 11.345 -2.278 -6.515 1.00 0.00 C ATOM 2065 CG ASP B 62 11.125 -3.736 -6.865 1.00 0.00 C ATOM 2066 OD1 ASP B 62 11.210 -4.085 -8.064 1.00 0.00 O ATOM 2067 OD2 ASP B 62 10.864 -4.537 -5.947 1.00 0.00 O ATOM 0 H ASP B 62 10.196 0.607 -7.275 1.00 0.00 H new ATOM 0 HA ASP B 62 9.825 -1.492 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.172 -1.886 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.638 -2.199 -5.468 1.00 0.00 H new ATOM 2072 N GLY B 63 9.089 -2.005 -4.636 1.00 0.00 N ATOM 2073 CA GLY B 63 8.029 -2.443 -3.751 1.00 0.00 C ATOM 2074 C GLY B 63 8.170 -1.866 -2.353 1.00 0.00 C ATOM 2075 O GLY B 63 7.474 -2.286 -1.428 1.00 0.00 O ATOM 0 H GLY B 63 9.957 -1.751 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY B 63 7.066 -2.149 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY B 63 8.032 -3.532 -3.694 1.00 0.00 H new ATOM 2079 N ALA B 64 9.062 -0.895 -2.200 1.00 0.00 N ATOM 2080 CA ALA B 64 9.314 -0.284 -0.903 1.00 0.00 C ATOM 2081 C ALA B 64 8.978 1.201 -0.931 1.00 0.00 C ATOM 2082 O ALA B 64 9.413 1.928 -1.823 1.00 0.00 O ATOM 2083 CB ALA B 64 10.763 -0.497 -0.491 1.00 0.00 C ATOM 0 H ALA B 64 9.624 -0.514 -2.961 1.00 0.00 H new ATOM 0 HA ALA B 64 8.669 -0.763 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.937 -0.035 0.481 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.970 -1.565 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.422 -0.044 -1.231 1.00 0.00 H new ATOM 2089 N ALA B 65 8.202 1.646 0.047 1.00 0.00 N ATOM 2090 CA ALA B 65 7.766 3.034 0.102 1.00 0.00 C ATOM 2091 C ALA B 65 8.717 3.881 0.940 1.00 0.00 C ATOM 2092 O ALA B 65 8.924 3.619 2.126 1.00 0.00 O ATOM 2093 CB ALA B 65 6.352 3.123 0.655 1.00 0.00 C ATOM 0 H ALA B 65 7.861 1.066 0.814 1.00 0.00 H new ATOM 0 HA ALA B 65 7.773 3.428 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.040 4.167 0.690 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.674 2.563 0.011 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.327 2.703 1.661 1.00 0.00 H new ATOM 2099 N PHE B 66 9.301 4.887 0.310 1.00 0.00 N ATOM 2100 CA PHE B 66 10.176 5.823 0.994 1.00 0.00 C ATOM 2101 C PHE B 66 9.577 7.222 0.952 1.00 0.00 C ATOM 2102 O PHE B 66 9.605 7.889 -0.082 1.00 0.00 O ATOM 2103 CB PHE B 66 11.568 5.826 0.356 1.00 0.00 C ATOM 2104 CG PHE B 66 12.265 4.495 0.412 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.879 4.067 1.577 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.304 3.670 -0.703 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.520 2.845 1.631 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.946 2.448 -0.654 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.553 2.035 0.515 1.00 0.00 C ATOM 0 H PHE B 66 9.182 5.077 -0.685 1.00 0.00 H new ATOM 0 HA PHE B 66 10.275 5.509 2.033 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.479 6.135 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.186 6.570 0.858 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.856 4.697 2.454 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.827 3.987 -1.619 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.995 2.524 2.546 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.973 1.816 -1.529 1.00 0.00 H new ATOM 0 HZ PHE B 66 14.053 1.079 0.556 1.00 0.00 H new ATOM 2119 N HIS B 67 9.014 7.650 2.070 1.00 0.00 N ATOM 2120 CA HIS B 67 8.400 8.970 2.165 1.00 0.00 C ATOM 2121 C HIS B 67 9.467 10.053 2.078 1.00 0.00 C ATOM 2122 O HIS B 67 10.414 10.062 2.868 1.00 0.00 O ATOM 2123 CB HIS B 67 7.618 9.109 3.479 1.00 0.00 C ATOM 2124 CG HIS B 67 6.492 8.128 3.633 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.621 6.903 4.251 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.193 8.217 3.254 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.426 6.302 4.231 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.523 7.056 3.637 1.00 0.00 N ATOM 0 H HIS B 67 8.968 7.102 2.929 1.00 0.00 H new ATOM 0 HA HIS B 67 7.706 9.087 1.333 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.308 8.987 4.314 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.215 10.120 3.544 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.477 6.522 4.653 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.748 9.055 2.737 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.227 5.326 4.648 1.00 0.00 H new ATOM 2136 N ILE B 68 9.317 10.956 1.118 1.00 0.00 N ATOM 2137 CA ILE B 68 10.278 12.030 0.927 1.00 0.00 C ATOM 2138 C ILE B 68 9.830 13.250 1.711 1.00 0.00 C ATOM 2139 O ILE B 68 8.926 13.972 1.282 1.00 0.00 O ATOM 2140 CB ILE B 68 10.435 12.403 -0.562 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.761 11.158 -1.390 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.521 13.458 -0.731 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.856 11.423 -2.878 1.00 0.00 C ATOM 0 H ILE B 68 8.538 10.965 0.460 1.00 0.00 H new ATOM 0 HA ILE B 68 11.247 11.682 1.286 1.00 0.00 H new ATOM 0 HB ILE B 68 9.493 12.818 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.706 10.740 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE B 68 9.994 10.404 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.621 13.712 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.252 14.351 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.469 13.067 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE B 68 11.090 10.494 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.904 11.812 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.643 12.153 -3.068 1.00 0.00 H new ATOM 2155 N ASN B 69 10.461 13.460 2.864 1.00 0.00 N ATOM 2156 CA ASN B 69 10.008 14.462 3.824 1.00 0.00 C ATOM 2157 C ASN B 69 8.603 14.098 4.284 1.00 0.00 C ATOM 2158 O ASN B 69 8.190 12.941 4.174 1.00 0.00 O ATOM 2159 CB ASN B 69 10.036 15.873 3.211 1.00 0.00 C ATOM 2160 CG ASN B 69 11.445 16.402 3.019 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.344 16.097 3.801 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.652 17.197 1.979 1.00 0.00 N ATOM 0 H ASN B 69 11.292 12.946 3.157 1.00 0.00 H new ATOM 0 HA ASN B 69 10.683 14.472 4.680 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.525 15.856 2.249 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.481 16.555 3.855 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.582 17.578 1.806 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.881 17.428 1.352 1.00 0.00 H new ATOM 2169 N PHE B 70 7.876 15.053 4.828 1.00 0.00 N ATOM 2170 CA PHE B 70 6.483 14.826 5.136 1.00 0.00 C ATOM 2171 C PHE B 70 5.623 15.544 4.112 1.00 0.00 C ATOM 2172 O PHE B 70 5.433 16.757 4.196 1.00 0.00 O ATOM 2173 CB PHE B 70 6.147 15.299 6.553 1.00 0.00 C ATOM 2174 CG PHE B 70 4.731 14.995 6.971 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.382 13.728 7.414 1.00 0.00 C ATOM 2176 CD2 PHE B 70 3.751 15.974 6.916 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.084 13.446 7.794 1.00 0.00 C ATOM 2178 CE2 PHE B 70 2.452 15.696 7.294 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.118 14.431 7.735 1.00 0.00 C ATOM 0 H PHE B 70 8.224 15.983 5.063 1.00 0.00 H new ATOM 0 HA PHE B 70 6.280 13.756 5.093 1.00 0.00 H new ATOM 0 HB2 PHE B 70 6.834 14.828 7.257 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.313 16.374 6.617 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.133 12.953 7.462 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.006 16.966 6.573 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.825 12.455 8.137 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.698 16.468 7.245 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.103 14.212 8.033 1.00 0.00 H new ATOM 2189 N GLY B 71 5.147 14.806 3.118 1.00 0.00 N ATOM 2190 CA GLY B 71 4.263 15.385 2.142 1.00 0.00 C ATOM 2191 C GLY B 71 2.912 15.658 2.744 1.00 0.00 C ATOM 2192 O GLY B 71 2.690 16.710 3.344 1.00 0.00 O ATOM 0 H GLY B 71 5.360 13.819 2.975 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.691 16.312 1.761 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.159 14.710 1.293 1.00 0.00 H new ATOM 2196 N ALA B 72 1.997 14.724 2.581 1.00 0.00 N ATOM 2197 CA ALA B 72 0.693 14.852 3.233 1.00 0.00 C ATOM 2198 C ALA B 72 0.215 13.518 3.772 1.00 0.00 C ATOM 2199 O ALA B 72 0.197 12.531 3.044 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.339 15.474 2.303 1.00 0.00 C ATOM 0 H ALA B 72 2.119 13.883 2.017 1.00 0.00 H new ATOM 0 HA ALA B 72 0.817 15.527 4.080 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.295 15.553 2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -0.006 16.467 2.002 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.457 14.847 1.419 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.175 13.485 5.036 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.674 12.255 5.622 1.00 0.00 C ATOM 2208 C GLY B 73 -1.924 11.770 4.914 1.00 0.00 C ATOM 2209 O GLY B 73 -2.801 12.568 4.590 1.00 0.00 O ATOM 0 H GLY B 73 -0.156 14.286 5.668 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.097 11.486 5.569 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.892 12.416 6.678 1.00 0.00 H new ATOM 2213 N ILE B 74 -2.014 10.469 4.661 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.157 9.924 3.940 1.00 0.00 C ATOM 2215 C ILE B 74 -4.424 10.044 4.790 1.00 0.00 C ATOM 2216 O ILE B 74 -5.534 10.130 4.266 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.924 8.455 3.500 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.980 8.033 2.472 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.941 7.515 4.699 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.673 6.722 1.777 1.00 0.00 C ATOM 0 H ILE B 74 -1.317 9.779 4.941 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.284 10.511 3.030 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.939 8.391 3.037 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.946 7.951 2.971 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -4.075 8.817 1.721 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.775 6.492 4.362 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -2.152 7.800 5.396 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.908 7.580 5.199 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.466 6.493 1.066 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.724 6.804 1.248 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.608 5.924 2.517 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.241 10.087 6.105 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.342 10.346 7.029 1.00 0.00 C ATOM 2234 C ASP B 75 -5.780 11.800 6.933 1.00 0.00 C ATOM 2235 O ASP B 75 -6.965 12.107 7.020 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.941 10.007 8.470 1.00 0.00 C ATOM 2237 CG ASP B 75 -3.511 10.389 8.796 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -3.194 11.594 8.826 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -2.691 9.473 9.003 1.00 0.00 O ATOM 0 H ASP B 75 -3.338 9.945 6.557 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.178 9.705 6.749 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -5.613 10.520 9.158 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -5.071 8.937 8.635 1.00 0.00 H new ATOM 2244 N ASP B 76 -4.810 12.681 6.734 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.067 14.106 6.535 1.00 0.00 C ATOM 2246 C ASP B 76 -5.790 14.346 5.209 1.00 0.00 C ATOM 2247 O ASP B 76 -6.542 15.311 5.058 1.00 0.00 O ATOM 2248 CB ASP B 76 -3.734 14.868 6.578 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.841 16.317 6.143 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -4.310 17.155 6.942 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.417 16.631 5.009 1.00 0.00 O ATOM 0 H ASP B 76 -3.821 12.431 6.705 1.00 0.00 H new ATOM 0 HA ASP B 76 -5.714 14.471 7.332 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.338 14.832 7.593 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -3.014 14.358 5.937 1.00 0.00 H new ATOM 2256 N LEU B 77 -5.569 13.451 4.255 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.212 13.537 2.948 1.00 0.00 C ATOM 2258 C LEU B 77 -7.594 12.884 2.968 1.00 0.00 C ATOM 2259 O LEU B 77 -8.605 13.528 2.684 1.00 0.00 O ATOM 2260 CB LEU B 77 -5.344 12.853 1.888 1.00 0.00 C ATOM 2261 CG LEU B 77 -3.933 13.421 1.724 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.133 12.560 0.764 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -3.983 14.859 1.232 1.00 0.00 C ATOM 0 H LEU B 77 -4.945 12.651 4.362 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.329 14.593 2.703 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.264 11.795 2.137 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -5.856 12.917 0.928 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.442 13.413 2.697 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.130 12.973 0.654 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.067 11.545 1.155 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -3.627 12.543 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.968 15.242 1.123 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -4.491 14.896 0.268 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -4.526 15.471 1.952 1.00 0.00 H new ATOM 2275 N LYS B 78 -7.623 11.601 3.318 1.00 0.00 N ATOM 2276 CA LYS B 78 -8.845 10.803 3.269 1.00 0.00 C ATOM 2277 C LYS B 78 -9.804 11.184 4.393 1.00 0.00 C ATOM 2278 O LYS B 78 -11.018 11.243 4.191 1.00 0.00 O ATOM 2279 CB LYS B 78 -8.490 9.312 3.358 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.686 8.372 3.284 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.242 6.916 3.292 1.00 0.00 C ATOM 2282 CE LYS B 78 -10.422 5.959 3.204 1.00 0.00 C ATOM 2283 NZ LYS B 78 -11.279 6.007 4.419 1.00 0.00 N ATOM 0 H LYS B 78 -6.804 11.087 3.642 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.347 11.003 2.323 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -7.801 9.067 2.550 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -7.961 9.133 4.294 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -10.350 8.557 4.128 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -10.257 8.576 2.378 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.568 6.738 2.454 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -8.679 6.714 4.203 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -11.023 6.206 2.328 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -10.053 4.943 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -11.999 5.258 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -10.691 5.863 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -11.748 6.934 4.477 1.00 0.00 H new