USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1214 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.00103) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0149) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -103:sc= -2.03! (180deg=-5.48!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.5 K(o=-1.5,f=-7.8!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 29 ASN : amide:sc= -9.22! C(o=-9.2!,f=-8.7!) USER MOD Single : A 31 GLN : amide:sc= -3.98! C(o=-4!,f=-9.3!) USER MOD Single : A 33 CYS SG : rot -27:sc= -9.07! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.9!) USER MOD Single : A 41 HIS : no HD1:sc= 0.461 K(o=0.46,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.1!) USER MOD Single : A 56 TYR OH : rot -14:sc= 0.239 USER MOD Single : A 61 TYR OH : rot 15:sc= 0.402 USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.348! USER MOD Single : A 64 HIS : no HD1:sc= -0.432 K(o=-0.43,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -149:sc= 0.0695 USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= -2.52! (180deg=-4.7!) USER MOD Single : A 72 GLN : amide:sc= -0.994 K(o=-0.99,f=-0.49) USER MOD Single : A 75 SER OG : rot 47:sc= 0.937 USER MOD Single : A 77 MET CE :methyl 172:sc= -2.06 (180deg=-2.42!) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.146) USER MOD Single : B 1 MET CE :methyl -157:sc= 0 (180deg=-0.00109) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -108:sc= -1.86! (180deg=-5.26!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -1.57 K(o=-1.6,f=-8.1!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : B 29 ASN : amide:sc= -9.05! C(o=-9!,f=-8.8!) USER MOD Single : B 31 GLN : amide:sc= -3.91! C(o=-3.9!,f=-9.4!) USER MOD Single : B 33 CYS SG : rot -28:sc= -9.19! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -3.05! C(o=-3.1!,f=-2.9!) USER MOD Single : B 41 HIS : no HD1:sc= 0.396 K(o=0.4,f=-2.1!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 140:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -2.84! C(o=-2.8!,f=-4.1!) USER MOD Single : B 56 TYR OH : rot -14:sc= 0.252 USER MOD Single : B 61 TYR OH : rot 21:sc= 0.434 USER MOD Single : B 62 THR OG1 : rot 45:sc= 0.209! USER MOD Single : B 64 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-4.2!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -150:sc= 0.0212 USER MOD Single : B 69 LYS NZ :NH3+ 150:sc= -2.48! (180deg=-4.64!) USER MOD Single : B 72 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.46) USER MOD Single : B 75 SER OG : rot 50:sc= 1.03 USER MOD Single : B 77 MET CE :methyl 172:sc= -2.09 (180deg=-2.39!) USER MOD Single : B 87 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.705 17.420 2.417 1.00 42.32 N ATOM 2 CA MET A 1 -1.320 17.266 2.947 1.00 40.89 C ATOM 3 C MET A 1 -1.342 16.353 4.173 1.00 34.75 C ATOM 4 O MET A 1 -1.699 16.771 5.256 1.00 33.97 O ATOM 5 CB MET A 1 -0.770 18.642 3.346 1.00 48.45 C ATOM 6 CG MET A 1 0.440 18.475 4.277 1.00 56.13 C ATOM 7 SD MET A 1 1.774 19.571 3.734 1.00 64.91 S ATOM 8 CE MET A 1 1.274 21.025 4.687 1.00 63.43 C ATOM 0 H1 MET A 1 -2.703 18.107 1.636 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.048 16.502 2.070 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.331 17.759 3.175 1.00 42.32 H new ATOM 0 HA MET A 1 -0.683 16.828 2.178 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.479 19.199 2.455 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.546 19.222 3.845 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.158 18.709 5.303 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.779 17.439 4.268 1.00 56.13 H new ATOM 0 HE1 MET A 1 1.697 21.921 4.233 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.187 21.100 4.693 1.00 63.43 H new ATOM 0 HE3 MET A 1 1.637 20.932 5.711 1.00 63.43 H new ATOM 20 N ILE A 2 -0.956 15.115 4.014 1.00 28.59 N ATOM 21 CA ILE A 2 -0.946 14.187 5.182 1.00 24.58 C ATOM 22 C ILE A 2 -0.367 14.924 6.384 1.00 19.29 C ATOM 23 O ILE A 2 0.656 15.571 6.288 1.00 19.53 O ATOM 24 CB ILE A 2 -0.097 12.949 4.890 1.00 25.10 C ATOM 25 CG1 ILE A 2 0.953 13.281 3.812 1.00 28.92 C ATOM 26 CG2 ILE A 2 -1.010 11.800 4.442 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.592 12.649 2.457 1.00 33.80 C ATOM 0 H ILE A 2 -0.649 14.708 3.131 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.966 13.862 5.386 1.00 24.58 H new ATOM 0 HB ILE A 2 0.431 12.638 5.791 1.00 25.10 H new ATOM 0 HG12 ILE A 2 1.031 14.362 3.700 1.00 28.92 H new ATOM 0 HG13 ILE A 2 1.931 12.922 4.133 1.00 28.92 H new ATOM 0 HG21 ILE A 2 -0.407 10.916 4.233 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -1.724 11.573 5.233 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.548 12.093 3.541 1.00 23.06 H new ATOM 0 HD11 ILE A 2 1.355 12.905 1.722 1.00 33.80 H new ATOM 0 HD12 ILE A 2 0.539 11.566 2.563 1.00 33.80 H new ATOM 0 HD13 ILE A 2 -0.374 13.028 2.124 1.00 33.80 H new ATOM 39 N LYS A 3 -1.016 14.855 7.510 1.00 18.14 N ATOM 40 CA LYS A 3 -0.492 15.581 8.695 1.00 16.66 C ATOM 41 C LYS A 3 0.193 14.614 9.649 1.00 14.94 C ATOM 42 O LYS A 3 -0.105 13.437 9.688 1.00 13.94 O ATOM 43 CB LYS A 3 -1.641 16.290 9.416 1.00 16.94 C ATOM 44 CG LYS A 3 -1.861 17.671 8.795 1.00 17.85 C ATOM 45 CD LYS A 3 -2.745 18.511 9.720 1.00 19.63 C ATOM 46 CE LYS A 3 -2.069 19.856 9.993 1.00 26.28 C ATOM 47 NZ LYS A 3 -2.909 20.956 9.439 1.00 32.72 N ATOM 0 H LYS A 3 -1.879 14.332 7.660 1.00 18.14 H new ATOM 0 HA LYS A 3 0.237 16.319 8.360 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.552 15.697 9.341 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.412 16.389 10.477 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.904 18.168 8.639 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -2.331 17.571 7.817 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -3.721 18.669 9.262 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.915 17.981 10.657 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.931 19.995 11.065 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.078 19.876 9.538 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.450 21.871 9.624 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -3.019 20.826 8.413 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -3.845 20.940 9.893 1.00 32.72 H new ATOM 61 N VAL A 4 1.120 15.114 10.415 1.00 12.42 N ATOM 62 CA VAL A 4 1.849 14.244 11.366 1.00 12.99 C ATOM 63 C VAL A 4 2.489 15.098 12.463 1.00 14.26 C ATOM 64 O VAL A 4 2.587 16.304 12.357 1.00 13.80 O ATOM 65 CB VAL A 4 2.944 13.480 10.617 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.607 12.469 11.555 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.350 12.746 9.410 1.00 10.41 C ATOM 0 H VAL A 4 1.403 16.094 10.420 1.00 12.42 H new ATOM 0 HA VAL A 4 1.151 13.540 11.818 1.00 12.99 H new ATOM 0 HB VAL A 4 3.690 14.194 10.267 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.385 11.929 11.016 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.050 12.994 12.402 1.00 14.46 H new ATOM 0 HG13 VAL A 4 2.859 11.763 11.916 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.140 12.207 8.887 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.593 12.040 9.750 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.894 13.468 8.733 1.00 10.41 H new ATOM 77 N GLU A 5 2.923 14.467 13.515 1.00 9.27 N ATOM 78 CA GLU A 5 3.563 15.203 14.639 1.00 10.51 C ATOM 79 C GLU A 5 4.523 14.265 15.351 1.00 10.00 C ATOM 80 O GLU A 5 4.127 13.407 16.112 1.00 10.96 O ATOM 81 CB GLU A 5 2.490 15.677 15.614 1.00 10.42 C ATOM 82 CG GLU A 5 1.885 16.971 15.082 1.00 18.68 C ATOM 83 CD GLU A 5 0.779 17.450 16.025 1.00 18.63 C ATOM 84 OE1 GLU A 5 -0.184 16.721 16.195 1.00 22.12 O ATOM 85 OE2 GLU A 5 0.914 18.539 16.559 1.00 19.38 O ATOM 0 H GLU A 5 2.861 13.457 13.646 1.00 9.27 H new ATOM 0 HA GLU A 5 4.105 16.069 14.258 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.717 14.916 15.725 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.922 15.840 16.602 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.657 17.735 14.994 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.480 16.810 14.083 1.00 18.68 H new ATOM 92 N ILE A 6 5.785 14.420 15.107 1.00 9.86 N ATOM 93 CA ILE A 6 6.765 13.528 15.783 1.00 10.60 C ATOM 94 C ILE A 6 6.830 13.929 17.264 1.00 10.16 C ATOM 95 O ILE A 6 7.416 14.930 17.624 1.00 11.64 O ATOM 96 CB ILE A 6 8.147 13.634 15.094 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.278 12.501 14.069 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.277 13.500 16.114 1.00 12.29 C ATOM 99 CD1 ILE A 6 7.989 13.030 12.664 1.00 13.81 C ATOM 0 H ILE A 6 6.183 15.116 14.477 1.00 9.86 H new ATOM 0 HA ILE A 6 6.455 12.486 15.710 1.00 10.60 H new ATOM 0 HB ILE A 6 8.221 14.608 14.611 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.282 12.079 14.108 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.584 11.697 14.313 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.238 13.578 15.605 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.194 14.294 16.856 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.207 12.532 16.610 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.084 12.218 11.943 1.00 13.81 H new ATOM 0 HD12 ILE A 6 6.976 13.431 12.627 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.700 13.819 12.419 1.00 13.81 H new ATOM 111 N LYS A 7 6.214 13.153 18.120 1.00 11.63 N ATOM 112 CA LYS A 7 6.213 13.477 19.572 1.00 11.59 C ATOM 113 C LYS A 7 7.627 13.864 20.014 1.00 12.98 C ATOM 114 O LYS A 7 8.569 13.719 19.261 1.00 9.79 O ATOM 115 CB LYS A 7 5.741 12.241 20.344 1.00 12.52 C ATOM 116 CG LYS A 7 4.271 12.404 20.755 1.00 14.26 C ATOM 117 CD LYS A 7 3.465 13.037 19.618 1.00 15.70 C ATOM 118 CE LYS A 7 3.055 14.453 20.010 1.00 19.19 C ATOM 119 NZ LYS A 7 3.724 15.435 19.110 1.00 25.43 N ATOM 0 H LYS A 7 5.709 12.303 17.869 1.00 11.63 H new ATOM 0 HA LYS A 7 5.545 14.315 19.771 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.857 11.351 19.726 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.360 12.097 21.229 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.849 11.432 21.011 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.203 13.026 21.647 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.060 13.059 18.705 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.580 12.436 19.407 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.972 14.561 19.942 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.330 14.648 21.046 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 4.522 15.877 19.610 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.075 14.946 18.262 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.043 16.169 18.829 1.00 25.43 H new ATOM 133 N PRO A 8 7.732 14.345 21.227 1.00 13.56 N ATOM 134 CA PRO A 8 9.023 14.762 21.800 1.00 11.93 C ATOM 135 C PRO A 8 9.841 13.530 22.177 1.00 10.20 C ATOM 136 O PRO A 8 11.052 13.572 22.263 1.00 12.05 O ATOM 137 CB PRO A 8 8.627 15.576 23.035 1.00 12.78 C ATOM 138 CG PRO A 8 7.197 15.124 23.413 1.00 12.51 C ATOM 139 CD PRO A 8 6.581 14.512 22.140 1.00 13.61 C ATOM 0 HA PRO A 8 9.642 15.339 21.113 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.321 15.398 23.857 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.653 16.644 22.821 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.222 14.394 24.222 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.603 15.968 23.764 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.097 13.558 22.350 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.823 15.166 21.710 1.00 13.61 H new ATOM 147 N SER A 9 9.181 12.429 22.382 1.00 10.65 N ATOM 148 CA SER A 9 9.905 11.178 22.731 1.00 10.83 C ATOM 149 C SER A 9 10.136 10.364 21.455 1.00 10.94 C ATOM 150 O SER A 9 10.680 9.278 21.490 1.00 13.16 O ATOM 151 CB SER A 9 9.070 10.360 23.718 1.00 13.01 C ATOM 152 OG SER A 9 9.799 10.198 24.927 1.00 15.52 O ATOM 0 H SER A 9 8.167 12.340 22.323 1.00 10.65 H new ATOM 0 HA SER A 9 10.863 11.422 23.190 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.123 10.863 23.915 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.831 9.386 23.291 1.00 13.01 H new ATOM 0 HG SER A 9 9.266 9.676 25.563 1.00 15.52 H new ATOM 158 N GLN A 10 9.729 10.883 20.326 1.00 10.02 N ATOM 159 CA GLN A 10 9.927 10.147 19.050 1.00 11.55 C ATOM 160 C GLN A 10 10.758 11.006 18.098 1.00 13.72 C ATOM 161 O GLN A 10 10.484 11.082 16.918 1.00 17.31 O ATOM 162 CB GLN A 10 8.575 9.849 18.408 1.00 6.60 C ATOM 163 CG GLN A 10 7.568 9.489 19.495 1.00 7.20 C ATOM 164 CD GLN A 10 7.841 8.070 19.996 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.918 7.542 19.804 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.904 7.426 20.636 1.00 4.80 N ATOM 0 H GLN A 10 9.267 11.788 20.236 1.00 10.02 H new ATOM 0 HA GLN A 10 10.444 9.209 19.252 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.227 10.716 17.847 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.670 9.027 17.698 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.640 10.197 20.320 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.553 9.558 19.103 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.000 7.869 20.797 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.076 6.479 20.975 1.00 4.80 H new ATOM 175 N ALA A 11 11.764 11.666 18.601 1.00 15.28 N ATOM 176 CA ALA A 11 12.601 12.526 17.717 1.00 18.95 C ATOM 177 C ALA A 11 13.981 11.891 17.532 1.00 20.75 C ATOM 178 O ALA A 11 14.899 12.513 17.035 1.00 24.78 O ATOM 179 CB ALA A 11 12.756 13.910 18.347 1.00 17.72 C ATOM 0 H ALA A 11 12.042 11.648 19.582 1.00 15.28 H new ATOM 0 HA ALA A 11 12.116 12.621 16.746 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.368 14.538 17.700 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.774 14.366 18.471 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.237 13.815 19.321 1.00 17.72 H new ATOM 185 N GLN A 12 14.133 10.658 17.924 1.00 22.50 N ATOM 186 CA GLN A 12 15.446 9.981 17.770 1.00 25.43 C ATOM 187 C GLN A 12 15.213 8.606 17.130 1.00 22.80 C ATOM 188 O GLN A 12 14.250 7.930 17.430 1.00 20.93 O ATOM 189 CB GLN A 12 16.092 9.838 19.158 1.00 30.18 C ATOM 190 CG GLN A 12 16.901 8.543 19.238 1.00 42.11 C ATOM 191 CD GLN A 12 18.071 8.722 20.208 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.920 8.539 21.399 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.239 9.073 19.744 1.00 47.90 N ATOM 0 H GLN A 12 13.400 10.089 18.346 1.00 22.50 H new ATOM 0 HA GLN A 12 16.114 10.559 17.131 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.740 10.692 19.354 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.320 9.840 19.928 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.263 7.725 19.571 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.274 8.275 18.250 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.365 9.227 18.744 1.00 47.90 H new ATOM 0 HE22 GLN A 12 20.026 9.194 20.382 1.00 47.90 H new ATOM 202 N PHE A 13 16.084 8.185 16.251 1.00 21.61 N ATOM 203 CA PHE A 13 15.899 6.860 15.605 1.00 20.51 C ATOM 204 C PHE A 13 16.671 5.797 16.380 1.00 18.83 C ATOM 205 O PHE A 13 17.500 6.099 17.216 1.00 18.83 O ATOM 206 CB PHE A 13 16.441 6.922 14.182 1.00 19.56 C ATOM 207 CG PHE A 13 17.872 7.403 14.237 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.908 6.495 14.489 1.00 15.55 C ATOM 209 CD2 PHE A 13 18.161 8.760 14.050 1.00 20.50 C ATOM 210 CE1 PHE A 13 20.230 6.947 14.552 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.482 9.210 14.111 1.00 20.75 C ATOM 212 CZ PHE A 13 20.515 8.305 14.362 1.00 18.48 C ATOM 0 H PHE A 13 16.912 8.702 15.956 1.00 21.61 H new ATOM 0 HA PHE A 13 14.839 6.607 15.595 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.389 5.939 13.713 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.837 7.597 13.575 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.687 5.448 14.634 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.361 9.460 13.858 1.00 20.50 H new ATOM 0 HE1 PHE A 13 21.031 6.249 14.747 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.704 10.257 13.964 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.536 8.653 14.410 1.00 18.48 H new ATOM 222 N THR A 14 16.417 4.554 16.094 1.00 14.89 N ATOM 223 CA THR A 14 17.144 3.464 16.795 1.00 13.37 C ATOM 224 C THR A 14 17.585 2.426 15.766 1.00 11.97 C ATOM 225 O THR A 14 16.945 2.234 14.751 1.00 10.76 O ATOM 226 CB THR A 14 16.225 2.805 17.824 1.00 13.68 C ATOM 227 OG1 THR A 14 15.831 3.768 18.792 1.00 13.48 O ATOM 228 CG2 THR A 14 16.966 1.659 18.511 1.00 9.24 C ATOM 0 H THR A 14 15.734 4.245 15.402 1.00 14.89 H new ATOM 0 HA THR A 14 18.014 3.874 17.308 1.00 13.37 H new ATOM 0 HB THR A 14 15.340 2.413 17.323 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.241 3.347 19.451 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.310 1.190 19.244 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.265 0.921 17.767 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.852 2.048 19.013 1.00 9.24 H new ATOM 236 N THR A 15 18.674 1.758 16.013 1.00 13.20 N ATOM 237 CA THR A 15 19.152 0.738 15.041 1.00 12.54 C ATOM 238 C THR A 15 18.432 -0.587 15.299 1.00 14.34 C ATOM 239 O THR A 15 18.634 -1.228 16.311 1.00 17.35 O ATOM 240 CB THR A 15 20.660 0.540 15.206 1.00 11.88 C ATOM 241 OG1 THR A 15 21.229 1.708 15.781 1.00 17.15 O ATOM 242 CG2 THR A 15 21.292 0.280 13.840 1.00 8.30 C ATOM 0 H THR A 15 19.254 1.873 16.844 1.00 13.20 H new ATOM 0 HA THR A 15 18.941 1.076 14.027 1.00 12.54 H new ATOM 0 HB THR A 15 20.847 -0.313 15.858 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.195 1.582 15.889 1.00 17.15 H new ATOM 0 HG21 THR A 15 22.366 0.139 13.957 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.854 -0.616 13.401 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.107 1.132 13.186 1.00 8.30 H new ATOM 435 N LEU A 28 18.893 -0.456 9.423 1.00 18.57 N ATOM 436 CA LEU A 28 18.739 1.009 9.198 1.00 16.31 C ATOM 437 C LEU A 28 18.123 1.666 10.435 1.00 14.21 C ATOM 438 O LEU A 28 17.429 1.035 11.208 1.00 16.97 O ATOM 439 CB LEU A 28 17.829 1.245 7.993 1.00 16.48 C ATOM 440 CG LEU A 28 18.517 2.191 7.008 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.851 1.432 5.721 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.579 3.357 6.686 1.00 22.01 C ATOM 0 HA LEU A 28 19.720 1.447 9.011 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.602 0.297 7.505 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.880 1.671 8.319 1.00 16.48 H new ATOM 0 HG LEU A 28 19.436 2.575 7.451 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.341 2.106 5.018 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.517 0.600 5.951 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.933 1.049 5.276 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.067 4.033 5.984 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.661 2.973 6.242 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.341 3.896 7.603 1.00 22.01 H new ATOM 454 N ASN A 29 18.369 2.934 10.623 1.00 11.64 N ATOM 455 CA ASN A 29 17.799 3.645 11.803 1.00 9.77 C ATOM 456 C ASN A 29 16.282 3.777 11.633 1.00 7.94 C ATOM 457 O ASN A 29 15.803 4.214 10.607 1.00 10.52 O ATOM 458 CB ASN A 29 18.419 5.041 11.897 1.00 14.73 C ATOM 459 CG ASN A 29 19.870 4.929 12.365 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.240 3.972 13.016 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.715 5.876 12.059 1.00 12.89 N ATOM 0 H ASN A 29 18.943 3.511 10.007 1.00 11.64 H new ATOM 0 HA ASN A 29 18.018 3.082 12.711 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.377 5.534 10.926 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.849 5.657 12.593 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.686 5.812 12.366 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.405 6.679 11.513 1.00 12.89 H new ATOM 468 N GLU A 30 15.523 3.406 12.628 1.00 8.58 N ATOM 469 CA GLU A 30 14.037 3.518 12.517 1.00 13.16 C ATOM 470 C GLU A 30 13.540 4.595 13.487 1.00 12.26 C ATOM 471 O GLU A 30 14.244 4.998 14.391 1.00 10.58 O ATOM 472 CB GLU A 30 13.396 2.175 12.872 1.00 14.93 C ATOM 473 CG GLU A 30 13.329 1.293 11.623 1.00 27.13 C ATOM 474 CD GLU A 30 12.351 0.141 11.862 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.918 -0.017 12.992 1.00 40.03 O ATOM 476 OE2 GLU A 30 12.052 -0.563 10.912 1.00 38.01 O ATOM 0 H GLU A 30 15.865 3.030 13.512 1.00 8.58 H new ATOM 0 HA GLU A 30 13.764 3.789 11.497 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.976 1.678 13.650 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.395 2.333 13.272 1.00 14.93 H new ATOM 0 HG2 GLU A 30 13.009 1.884 10.765 1.00 27.13 H new ATOM 0 HG3 GLU A 30 14.319 0.901 11.388 1.00 27.13 H new ATOM 483 N GLN A 31 12.334 5.068 13.311 1.00 10.34 N ATOM 484 CA GLN A 31 11.808 6.120 14.231 1.00 9.46 C ATOM 485 C GLN A 31 10.285 6.007 14.341 1.00 10.09 C ATOM 486 O GLN A 31 9.673 5.125 13.773 1.00 9.36 O ATOM 487 CB GLN A 31 12.170 7.504 13.685 1.00 7.25 C ATOM 488 CG GLN A 31 12.815 8.338 14.793 1.00 10.62 C ATOM 489 CD GLN A 31 11.783 9.320 15.349 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.950 8.948 16.151 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.800 10.565 14.952 1.00 12.39 N ATOM 0 H GLN A 31 11.693 4.773 12.574 1.00 10.34 H new ATOM 0 HA GLN A 31 12.252 5.983 15.217 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.855 7.406 12.843 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.276 8.004 13.312 1.00 7.25 H new ATOM 0 HG2 GLN A 31 13.181 7.688 15.588 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.676 8.880 14.402 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.500 10.876 14.279 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.113 11.226 15.316 1.00 12.39 H new ATOM 500 N LEU A 32 9.672 6.905 15.065 1.00 6.80 N ATOM 501 CA LEU A 32 8.189 6.868 15.213 1.00 10.34 C ATOM 502 C LEU A 32 7.629 8.276 14.994 1.00 9.02 C ATOM 503 O LEU A 32 8.331 9.258 15.130 1.00 11.15 O ATOM 504 CB LEU A 32 7.825 6.387 16.620 1.00 10.20 C ATOM 505 CG LEU A 32 8.454 5.016 16.871 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.436 4.713 18.371 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.656 3.945 16.123 1.00 15.89 C ATOM 0 H LEU A 32 10.137 7.665 15.562 1.00 6.80 H new ATOM 0 HA LEU A 32 7.764 6.184 14.478 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.178 7.102 17.363 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.742 6.327 16.726 1.00 10.20 H new ATOM 0 HG LEU A 32 9.484 5.017 16.514 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.884 3.736 18.550 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.004 5.476 18.903 1.00 17.42 H new ATOM 0 HD13 LEU A 32 7.407 4.711 18.730 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.103 2.967 16.301 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.626 3.943 16.480 1.00 15.89 H new ATOM 0 HD23 LEU A 32 7.670 4.161 15.055 1.00 15.89 H new ATOM 519 N CYS A 33 6.370 8.385 14.661 1.00 9.68 N ATOM 520 CA CYS A 33 5.764 9.726 14.437 1.00 8.10 C ATOM 521 C CYS A 33 4.261 9.614 14.673 1.00 6.34 C ATOM 522 O CYS A 33 3.739 8.536 14.859 1.00 8.02 O ATOM 523 CB CYS A 33 6.016 10.195 12.997 1.00 8.88 C ATOM 524 SG CYS A 33 7.744 9.910 12.538 1.00 13.84 S ATOM 0 H CYS A 33 5.734 7.598 14.534 1.00 9.68 H new ATOM 0 HA CYS A 33 6.211 10.448 15.120 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.358 9.660 12.312 1.00 8.88 H new ATOM 0 HB3 CYS A 33 5.778 11.255 12.905 1.00 8.88 H new ATOM 0 HG CYS A 33 8.485 9.929 13.606 1.00 13.84 H new ATOM 530 N TYR A 34 3.559 10.707 14.666 1.00 7.35 N ATOM 531 CA TYR A 34 2.092 10.640 14.894 1.00 7.08 C ATOM 532 C TYR A 34 1.369 11.251 13.694 1.00 7.71 C ATOM 533 O TYR A 34 1.343 12.452 13.534 1.00 7.80 O ATOM 534 CB TYR A 34 1.745 11.442 16.142 1.00 8.67 C ATOM 535 CG TYR A 34 1.981 10.613 17.384 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.972 9.767 17.866 1.00 12.44 C ATOM 537 CD2 TYR A 34 3.192 10.721 18.073 1.00 13.61 C ATOM 538 CE1 TYR A 34 1.175 9.035 19.035 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.397 9.982 19.242 1.00 17.22 C ATOM 540 CZ TYR A 34 2.386 9.143 19.723 1.00 16.83 C ATOM 541 OH TYR A 34 2.586 8.419 20.880 1.00 21.14 O ATOM 0 H TYR A 34 3.935 11.643 14.513 1.00 7.35 H new ATOM 0 HA TYR A 34 1.786 9.602 15.022 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.351 12.347 16.181 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.703 11.758 16.101 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.037 9.682 17.332 1.00 12.44 H new ATOM 0 HD2 TYR A 34 3.968 11.374 17.703 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.397 8.385 19.408 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.334 10.059 19.773 1.00 17.22 H new ATOM 0 HH TYR A 34 3.481 8.607 21.233 1.00 21.14 H new ATOM 551 N VAL A 35 0.793 10.445 12.844 1.00 9.44 N ATOM 552 CA VAL A 35 0.094 11.009 11.656 1.00 10.66 C ATOM 553 C VAL A 35 -1.293 11.522 12.040 1.00 10.57 C ATOM 554 O VAL A 35 -1.865 11.138 13.040 1.00 8.31 O ATOM 555 CB VAL A 35 -0.034 9.946 10.564 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.019 10.431 9.494 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.339 9.721 9.925 1.00 9.86 C ATOM 0 H VAL A 35 0.776 9.428 12.920 1.00 9.44 H new ATOM 0 HA VAL A 35 0.684 11.843 11.277 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.398 9.014 10.997 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -1.111 9.674 8.715 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.994 10.604 9.949 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.653 11.360 9.056 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.258 8.964 9.145 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.695 10.655 9.489 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.043 9.384 10.685 1.00 9.86 H new ATOM 567 N ASP A 36 -1.832 12.388 11.228 1.00 8.58 N ATOM 568 CA ASP A 36 -3.178 12.948 11.493 1.00 11.48 C ATOM 569 C ASP A 36 -3.930 13.066 10.167 1.00 12.38 C ATOM 570 O ASP A 36 -3.734 12.276 9.265 1.00 11.89 O ATOM 571 CB ASP A 36 -3.047 14.331 12.132 1.00 16.17 C ATOM 572 CG ASP A 36 -2.094 14.257 13.326 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.178 13.292 14.067 1.00 25.89 O ATOM 574 OD2 ASP A 36 -1.296 15.168 13.479 1.00 15.67 O ATOM 0 H ASP A 36 -1.386 12.734 10.379 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.722 12.294 12.174 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.674 15.047 11.400 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.025 14.687 12.456 1.00 16.17 H new ATOM 579 N LEU A 37 -4.785 14.044 10.034 1.00 13.17 N ATOM 580 CA LEU A 37 -5.541 14.197 8.758 1.00 18.47 C ATOM 581 C LEU A 37 -6.508 13.030 8.606 1.00 21.14 C ATOM 582 O LEU A 37 -7.710 13.202 8.560 1.00 24.24 O ATOM 583 CB LEU A 37 -4.571 14.190 7.584 1.00 15.81 C ATOM 584 CG LEU A 37 -5.207 14.917 6.399 1.00 20.59 C ATOM 585 CD1 LEU A 37 -6.645 14.430 6.197 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.211 16.423 6.670 1.00 20.01 C ATOM 0 H LEU A 37 -4.992 14.740 10.750 1.00 13.17 H new ATOM 0 HA LEU A 37 -6.090 15.139 8.774 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.637 14.677 7.866 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.325 13.165 7.307 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.630 14.708 5.498 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -7.091 14.953 5.351 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -6.642 13.358 6.000 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -7.227 14.632 7.096 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -5.664 16.943 5.826 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.785 16.629 7.574 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -4.187 16.771 6.804 1.00 20.01 H new ATOM 598 N GLY A 38 -5.987 11.839 8.532 1.00 20.70 N ATOM 599 CA GLY A 38 -6.862 10.650 8.388 1.00 23.91 C ATOM 600 C GLY A 38 -7.287 10.171 9.778 1.00 26.50 C ATOM 601 O GLY A 38 -7.673 9.034 9.964 1.00 31.02 O ATOM 0 H GLY A 38 -4.987 11.639 8.565 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.740 10.899 7.791 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.333 9.855 7.862 1.00 23.91 H new ATOM 605 N ASN A 39 -7.218 11.035 10.756 1.00 27.64 N ATOM 606 CA ASN A 39 -7.613 10.639 12.135 1.00 30.27 C ATOM 607 C ASN A 39 -7.346 11.804 13.093 1.00 26.79 C ATOM 608 O ASN A 39 -6.214 12.172 13.339 1.00 26.87 O ATOM 609 CB ASN A 39 -6.798 9.419 12.571 1.00 35.62 C ATOM 610 CG ASN A 39 -5.389 9.508 11.982 1.00 41.31 C ATOM 611 OD1 ASN A 39 -4.641 10.410 12.302 1.00 43.23 O ATOM 612 ND2 ASN A 39 -4.994 8.604 11.128 1.00 39.63 N ATOM 0 H ASN A 39 -6.904 12.000 10.657 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.674 10.389 12.153 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.746 9.373 13.659 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.286 8.504 12.236 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.057 8.655 10.729 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.622 7.847 10.860 1.00 39.63 H new ATOM 619 N GLU A 40 -8.383 12.392 13.627 1.00 25.15 N ATOM 620 CA GLU A 40 -8.203 13.537 14.562 1.00 23.81 C ATOM 621 C GLU A 40 -7.043 13.256 15.512 1.00 21.12 C ATOM 622 O GLU A 40 -6.043 13.946 15.517 1.00 19.86 O ATOM 623 CB GLU A 40 -9.489 13.748 15.366 1.00 27.22 C ATOM 624 CG GLU A 40 -10.404 14.725 14.624 1.00 34.87 C ATOM 625 CD GLU A 40 -11.866 14.371 14.906 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.313 13.349 14.413 1.00 39.54 O ATOM 627 OE2 GLU A 40 -12.512 15.128 15.611 1.00 42.34 O ATOM 0 H GLU A 40 -9.352 12.126 13.454 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.982 14.437 13.988 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.999 12.796 15.512 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.251 14.137 16.356 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.198 15.747 14.944 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -10.208 14.681 13.553 1.00 34.87 H new ATOM 634 N HIS A 41 -7.172 12.246 16.311 1.00 6.50 N ATOM 635 CA HIS A 41 -6.080 11.903 17.269 1.00 5.84 C ATOM 636 C HIS A 41 -4.841 11.477 16.480 1.00 4.60 C ATOM 637 O HIS A 41 -4.953 11.023 15.359 1.00 3.72 O ATOM 638 CB HIS A 41 -6.527 10.756 18.180 1.00 6.32 C ATOM 639 CG HIS A 41 -7.354 9.775 17.395 1.00 6.31 C ATOM 640 ND1 HIS A 41 -8.729 9.902 17.270 1.00 7.24 N ATOM 641 CD2 HIS A 41 -7.016 8.649 16.688 1.00 6.55 C ATOM 642 CE1 HIS A 41 -9.163 8.878 16.513 1.00 8.31 C ATOM 643 NE2 HIS A 41 -8.160 8.083 16.132 1.00 8.21 N ATOM 0 H HIS A 41 -7.988 11.635 16.348 1.00 6.50 H new ATOM 0 HA HIS A 41 -5.847 12.773 17.883 1.00 5.84 H new ATOM 0 HB2 HIS A 41 -5.656 10.255 18.603 1.00 6.32 H new ATOM 0 HB3 HIS A 41 -7.107 11.148 19.016 1.00 6.32 H new ATOM 0 HD2 HIS A 41 -6.014 8.260 16.579 1.00 6.55 H new ATOM 0 HE1 HIS A 41 -10.197 8.718 16.246 1.00 8.31 H new ATOM 0 HE2 HIS A 41 -8.219 7.242 15.557 1.00 8.21 H new ATOM 651 N PRO A 42 -3.693 11.641 17.085 1.00 15.11 N ATOM 652 CA PRO A 42 -2.415 11.284 16.452 1.00 16.08 C ATOM 653 C PRO A 42 -2.195 9.774 16.520 1.00 17.92 C ATOM 654 O PRO A 42 -2.549 9.127 17.486 1.00 17.13 O ATOM 655 CB PRO A 42 -1.376 12.014 17.302 1.00 16.41 C ATOM 656 CG PRO A 42 -2.031 12.252 18.677 1.00 13.79 C ATOM 657 CD PRO A 42 -3.557 12.193 18.450 1.00 16.28 C ATOM 0 HA PRO A 42 -2.369 11.558 15.398 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.468 11.419 17.402 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.089 12.958 16.839 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.716 11.494 19.394 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.736 13.219 19.085 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.046 11.558 19.188 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.011 13.181 18.528 1.00 16.28 H new ATOM 665 N VAL A 43 -1.610 9.207 15.506 1.00 16.29 N ATOM 666 CA VAL A 43 -1.362 7.743 15.517 1.00 14.28 C ATOM 667 C VAL A 43 0.142 7.489 15.500 1.00 9.00 C ATOM 668 O VAL A 43 0.827 7.827 14.556 1.00 7.99 O ATOM 669 CB VAL A 43 -1.998 7.107 14.284 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.521 7.198 14.388 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.525 7.846 13.030 1.00 20.57 C ATOM 0 H VAL A 43 -1.292 9.695 14.669 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.799 7.306 16.415 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.703 6.060 14.222 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.974 6.743 13.507 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.857 6.671 15.281 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.820 8.244 14.450 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.978 7.393 12.148 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.820 8.894 13.092 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.440 7.778 12.955 1.00 20.57 H new ATOM 681 N LEU A 44 0.663 6.898 16.536 1.00 10.19 N ATOM 682 CA LEU A 44 2.122 6.632 16.573 1.00 11.55 C ATOM 683 C LEU A 44 2.461 5.492 15.617 1.00 10.61 C ATOM 684 O LEU A 44 2.252 4.332 15.912 1.00 13.49 O ATOM 685 CB LEU A 44 2.543 6.253 17.987 1.00 10.60 C ATOM 686 CG LEU A 44 4.046 5.998 18.006 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.782 7.259 17.545 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.484 5.641 19.428 1.00 20.21 C ATOM 0 H LEU A 44 0.142 6.589 17.356 1.00 10.19 H new ATOM 0 HA LEU A 44 2.656 7.532 16.268 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.288 7.052 18.683 1.00 10.60 H new ATOM 0 HB3 LEU A 44 2.006 5.363 18.314 1.00 10.60 H new ATOM 0 HG LEU A 44 4.284 5.173 17.335 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.857 7.078 17.558 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.469 7.513 16.532 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.545 8.085 18.216 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.559 5.458 19.443 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.247 6.466 20.100 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.959 4.744 19.756 1.00 20.21 H new ATOM 700 N VAL A 45 2.988 5.819 14.476 1.00 10.81 N ATOM 701 CA VAL A 45 3.353 4.772 13.489 1.00 9.29 C ATOM 702 C VAL A 45 4.870 4.633 13.445 1.00 9.95 C ATOM 703 O VAL A 45 5.589 5.300 14.163 1.00 9.36 O ATOM 704 CB VAL A 45 2.824 5.169 12.106 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.478 5.880 12.262 1.00 7.95 C ATOM 706 CG2 VAL A 45 3.816 6.112 11.404 1.00 10.20 C ATOM 0 H VAL A 45 3.184 6.776 14.182 1.00 10.81 H new ATOM 0 HA VAL A 45 2.911 3.819 13.780 1.00 9.29 H new ATOM 0 HB VAL A 45 2.703 4.269 11.504 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.100 6.163 11.280 1.00 7.95 H new ATOM 0 HG12 VAL A 45 0.767 5.210 12.745 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.607 6.774 12.872 1.00 7.95 H new ATOM 0 HG21 VAL A 45 3.427 6.385 10.423 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.950 7.012 12.005 1.00 10.20 H new ATOM 0 HG23 VAL A 45 4.775 5.608 11.286 1.00 10.20 H new ATOM 716 N LYS A 46 5.360 3.776 12.604 1.00 10.76 N ATOM 717 CA LYS A 46 6.830 3.599 12.512 1.00 12.81 C ATOM 718 C LYS A 46 7.366 4.352 11.293 1.00 13.35 C ATOM 719 O LYS A 46 6.660 4.582 10.331 1.00 12.90 O ATOM 720 CB LYS A 46 7.163 2.111 12.386 1.00 17.04 C ATOM 721 CG LYS A 46 6.725 1.381 13.658 1.00 26.60 C ATOM 722 CD LYS A 46 7.749 0.298 14.005 1.00 33.77 C ATOM 723 CE LYS A 46 8.476 0.678 15.296 1.00 34.48 C ATOM 724 NZ LYS A 46 9.225 -0.503 15.811 1.00 36.74 N ATOM 0 H LYS A 46 4.809 3.191 11.977 1.00 10.76 H new ATOM 0 HA LYS A 46 7.296 3.997 13.413 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.658 1.687 11.518 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.233 1.979 12.228 1.00 17.04 H new ATOM 0 HG2 LYS A 46 6.634 2.088 14.483 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.742 0.933 13.513 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.250 -0.664 14.126 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.465 0.186 13.191 1.00 33.77 H new ATOM 0 HE2 LYS A 46 9.162 1.504 15.110 1.00 34.48 H new ATOM 0 HE3 LYS A 46 7.759 1.021 16.042 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.719 -0.245 16.689 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.560 -1.279 16.004 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.919 -0.811 15.100 1.00 36.74 H new ATOM 738 N ILE A 47 8.612 4.740 11.329 1.00 13.96 N ATOM 739 CA ILE A 47 9.199 5.479 10.181 1.00 16.93 C ATOM 740 C ILE A 47 10.634 4.997 9.947 1.00 16.52 C ATOM 741 O ILE A 47 11.173 4.227 10.717 1.00 17.67 O ATOM 742 CB ILE A 47 9.184 6.987 10.486 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.136 7.775 9.180 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.438 7.389 11.266 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.903 8.674 9.179 1.00 18.26 C ATOM 0 H ILE A 47 9.249 4.575 12.108 1.00 13.96 H new ATOM 0 HA ILE A 47 8.613 5.294 9.281 1.00 16.93 H new ATOM 0 HB ILE A 47 8.303 7.209 11.088 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.039 8.376 9.071 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.103 7.092 8.331 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.410 8.459 11.473 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.474 6.838 12.206 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.324 7.156 10.675 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.865 9.239 8.247 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.006 8.061 9.269 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.956 9.365 10.020 1.00 18.26 H new ATOM 757 N THR A 48 11.256 5.447 8.894 1.00 16.86 N ATOM 758 CA THR A 48 12.655 5.017 8.619 1.00 16.59 C ATOM 759 C THR A 48 13.596 6.207 8.813 1.00 19.04 C ATOM 760 O THR A 48 13.247 7.340 8.545 1.00 22.56 O ATOM 761 CB THR A 48 12.761 4.506 7.180 1.00 16.30 C ATOM 762 OG1 THR A 48 11.461 4.424 6.612 1.00 17.90 O ATOM 763 CG2 THR A 48 13.410 3.121 7.176 1.00 16.02 C ATOM 0 H THR A 48 10.857 6.093 8.213 1.00 16.86 H new ATOM 0 HA THR A 48 12.933 4.217 9.305 1.00 16.59 H new ATOM 0 HB THR A 48 13.372 5.192 6.593 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.491 4.729 5.681 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.485 2.757 6.151 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.407 3.185 7.612 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.801 2.432 7.762 1.00 16.02 H new ATOM 771 N LEU A 49 14.786 5.958 9.284 1.00 18.35 N ATOM 772 CA LEU A 49 15.751 7.069 9.505 1.00 18.82 C ATOM 773 C LEU A 49 17.068 6.735 8.798 1.00 20.06 C ATOM 774 O LEU A 49 17.635 5.678 8.988 1.00 18.35 O ATOM 775 CB LEU A 49 15.985 7.227 11.013 1.00 18.79 C ATOM 776 CG LEU A 49 16.688 8.553 11.313 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.181 8.431 10.993 1.00 20.41 C ATOM 778 CD2 LEU A 49 16.075 9.679 10.473 1.00 14.50 C ATOM 0 H LEU A 49 15.132 5.030 9.526 1.00 18.35 H new ATOM 0 HA LEU A 49 15.357 8.002 9.101 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.032 7.187 11.541 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.589 6.398 11.382 1.00 18.79 H new ATOM 0 HG LEU A 49 16.560 8.787 12.370 1.00 18.24 H new ATOM 0 HD11 LEU A 49 18.678 9.377 11.208 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.621 7.643 11.604 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.308 8.186 9.939 1.00 20.41 H new ATOM 0 HD21 LEU A 49 16.584 10.617 10.695 1.00 14.50 H new ATOM 0 HD22 LEU A 49 16.189 9.447 9.414 1.00 14.50 H new ATOM 0 HD23 LEU A 49 15.016 9.775 10.711 1.00 14.50 H new ATOM 790 N ASP A 50 17.553 7.623 7.973 1.00 22.62 N ATOM 791 CA ASP A 50 18.825 7.350 7.245 1.00 27.04 C ATOM 792 C ASP A 50 19.975 7.212 8.244 1.00 27.73 C ATOM 793 O ASP A 50 20.040 7.913 9.234 1.00 26.65 O ATOM 794 CB ASP A 50 19.120 8.504 6.285 1.00 29.11 C ATOM 795 CG ASP A 50 18.466 8.223 4.931 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.882 7.279 4.279 1.00 33.99 O ATOM 797 OD2 ASP A 50 17.561 8.956 4.568 1.00 30.76 O ATOM 0 H ASP A 50 17.123 8.526 7.772 1.00 22.62 H new ATOM 0 HA ASP A 50 18.725 6.422 6.682 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.741 9.439 6.697 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.197 8.623 6.163 1.00 29.11 H new ATOM 802 N GLU A 51 20.887 6.313 7.988 1.00 31.16 N ATOM 803 CA GLU A 51 22.038 6.127 8.916 1.00 34.22 C ATOM 804 C GLU A 51 22.806 7.444 9.039 1.00 34.98 C ATOM 805 O GLU A 51 23.252 8.008 8.060 1.00 34.19 O ATOM 806 CB GLU A 51 22.966 5.046 8.360 1.00 38.24 C ATOM 807 CG GLU A 51 23.909 4.566 9.463 1.00 46.84 C ATOM 808 CD GLU A 51 24.566 3.252 9.037 1.00 51.38 C ATOM 809 OE1 GLU A 51 24.691 3.035 7.843 1.00 53.83 O ATOM 810 OE2 GLU A 51 24.934 2.486 9.912 1.00 54.92 O ATOM 0 H GLU A 51 20.884 5.698 7.174 1.00 31.16 H new ATOM 0 HA GLU A 51 21.673 5.825 9.898 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.380 4.210 7.979 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.541 5.441 7.522 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.672 5.320 9.657 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.357 4.424 10.392 1.00 46.84 H new ATOM 817 N GLY A 52 22.963 7.941 10.235 1.00 34.53 N ATOM 818 CA GLY A 52 23.699 9.223 10.416 1.00 34.93 C ATOM 819 C GLY A 52 22.725 10.393 10.268 1.00 36.10 C ATOM 820 O GLY A 52 23.015 11.508 10.653 1.00 35.97 O ATOM 0 H GLY A 52 22.614 7.515 11.094 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.170 9.249 11.399 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.497 9.304 9.678 1.00 34.93 H new ATOM 824 N GLN A 53 21.569 10.146 9.713 1.00 36.52 N ATOM 825 CA GLN A 53 20.575 11.241 9.540 1.00 35.40 C ATOM 826 C GLN A 53 19.931 11.561 10.892 1.00 31.02 C ATOM 827 O GLN A 53 19.863 10.713 11.760 1.00 29.05 O ATOM 828 CB GLN A 53 19.493 10.794 8.555 1.00 41.20 C ATOM 829 CG GLN A 53 19.545 11.674 7.305 1.00 47.61 C ATOM 830 CD GLN A 53 18.160 11.722 6.656 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.984 11.277 5.539 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.163 12.247 7.314 1.00 54.76 N ATOM 0 H GLN A 53 21.271 9.232 9.372 1.00 36.52 H new ATOM 0 HA GLN A 53 21.075 12.130 9.154 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.643 9.749 8.283 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.510 10.864 9.021 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.869 12.680 7.569 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.275 11.279 6.599 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.311 12.620 8.252 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.236 12.284 6.891 1.00 54.76 H new ATOM 841 N PRO A 54 19.474 12.779 11.027 1.00 27.43 N ATOM 842 CA PRO A 54 18.823 13.250 12.260 1.00 23.44 C ATOM 843 C PRO A 54 17.386 12.731 12.334 1.00 20.14 C ATOM 844 O PRO A 54 16.528 13.146 11.580 1.00 21.64 O ATOM 845 CB PRO A 54 18.852 14.771 12.126 1.00 24.39 C ATOM 846 CG PRO A 54 18.991 15.070 10.619 1.00 27.18 C ATOM 847 CD PRO A 54 19.562 13.799 9.965 1.00 28.37 C ATOM 0 HA PRO A 54 19.317 12.902 13.167 1.00 23.44 H new ATOM 0 HB2 PRO A 54 17.941 15.214 12.528 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.686 15.195 12.685 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.025 15.327 10.185 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.652 15.921 10.453 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.986 13.510 9.086 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.591 13.947 9.638 1.00 28.37 H new ATOM 855 N ALA A 55 17.119 11.823 13.234 1.00 17.21 N ATOM 856 CA ALA A 55 15.742 11.271 13.357 1.00 15.58 C ATOM 857 C ALA A 55 14.716 12.399 13.223 1.00 16.41 C ATOM 858 O ALA A 55 14.983 13.537 13.554 1.00 13.65 O ATOM 859 CB ALA A 55 15.589 10.603 14.724 1.00 13.98 C ATOM 0 H ALA A 55 17.799 11.440 13.891 1.00 17.21 H new ATOM 0 HA ALA A 55 15.573 10.539 12.567 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.582 10.197 14.820 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.316 9.797 14.818 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.760 11.339 15.510 1.00 13.98 H new ATOM 865 N TYR A 56 13.542 12.090 12.742 1.00 15.93 N ATOM 866 CA TYR A 56 12.500 13.143 12.589 1.00 14.61 C ATOM 867 C TYR A 56 12.445 13.981 13.867 1.00 15.51 C ATOM 868 O TYR A 56 11.885 13.576 14.864 1.00 17.19 O ATOM 869 CB TYR A 56 11.137 12.488 12.333 1.00 12.92 C ATOM 870 CG TYR A 56 11.197 11.707 11.036 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.702 10.400 11.035 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.766 12.290 9.839 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.773 9.678 9.841 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.840 11.566 8.643 1.00 7.90 C ATOM 875 CZ TYR A 56 11.342 10.260 8.644 1.00 10.29 C ATOM 876 OH TYR A 56 11.415 9.547 7.465 1.00 12.03 O ATOM 0 H TYR A 56 13.261 11.154 12.449 1.00 15.93 H new ATOM 0 HA TYR A 56 12.747 13.785 11.744 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.877 11.826 13.159 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.359 13.249 12.278 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.037 9.950 11.958 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.377 13.297 9.838 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.161 8.670 9.842 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.509 12.016 7.719 1.00 7.90 H new ATOM 0 HH TYR A 56 11.983 8.759 7.594 1.00 12.03 H new ATOM 886 N ALA A 57 13.028 15.148 13.845 1.00 13.38 N ATOM 887 CA ALA A 57 13.013 16.013 15.057 1.00 14.95 C ATOM 888 C ALA A 57 11.570 16.190 15.541 1.00 15.46 C ATOM 889 O ALA A 57 10.642 15.759 14.888 1.00 17.82 O ATOM 890 CB ALA A 57 13.607 17.381 14.714 1.00 14.98 C ATOM 0 H ALA A 57 13.515 15.540 13.039 1.00 13.38 H new ATOM 0 HA ALA A 57 13.605 15.546 15.844 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.596 18.015 15.601 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.634 17.256 14.370 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.015 17.848 13.927 1.00 14.98 H new ATOM 896 N PRO A 58 11.429 16.824 16.678 1.00 15.20 N ATOM 897 CA PRO A 58 10.112 17.081 17.288 1.00 16.55 C ATOM 898 C PRO A 58 9.423 18.258 16.591 1.00 16.75 C ATOM 899 O PRO A 58 9.881 19.382 16.653 1.00 17.28 O ATOM 900 CB PRO A 58 10.452 17.429 18.739 1.00 15.65 C ATOM 901 CG PRO A 58 11.925 17.904 18.741 1.00 14.16 C ATOM 902 CD PRO A 58 12.570 17.343 17.460 1.00 13.96 C ATOM 0 HA PRO A 58 9.428 16.237 17.207 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.792 18.210 19.116 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.323 16.562 19.387 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.981 18.992 18.758 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.447 17.544 19.627 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.108 18.117 16.913 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.288 16.555 17.688 1.00 13.96 H new ATOM 910 N GLY A 59 8.327 18.011 15.928 1.00 17.22 N ATOM 911 CA GLY A 59 7.615 19.119 15.229 1.00 15.08 C ATOM 912 C GLY A 59 6.463 18.549 14.399 1.00 14.96 C ATOM 913 O GLY A 59 6.229 17.358 14.385 1.00 13.79 O ATOM 0 H GLY A 59 7.894 17.092 15.840 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.232 19.835 15.957 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.308 19.660 14.584 1.00 15.08 H new ATOM 917 N LEU A 60 5.746 19.389 13.702 1.00 15.83 N ATOM 918 CA LEU A 60 4.618 18.893 12.864 1.00 14.53 C ATOM 919 C LEU A 60 5.191 18.208 11.628 1.00 14.15 C ATOM 920 O LEU A 60 6.227 18.592 11.128 1.00 13.27 O ATOM 921 CB LEU A 60 3.748 20.073 12.427 1.00 15.84 C ATOM 922 CG LEU A 60 2.568 20.221 13.384 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.015 20.989 14.629 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.441 20.987 12.686 1.00 15.01 C ATOM 0 H LEU A 60 5.893 20.398 13.677 1.00 15.83 H new ATOM 0 HA LEU A 60 4.013 18.190 13.437 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.338 20.989 12.417 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.387 19.915 11.411 1.00 15.84 H new ATOM 0 HG LEU A 60 2.209 19.234 13.677 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.173 21.095 15.313 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.818 20.443 15.124 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.373 21.977 14.338 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.597 21.094 13.368 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.799 21.974 12.394 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.124 20.439 11.799 1.00 15.01 H new ATOM 936 N TYR A 61 4.538 17.196 11.126 1.00 11.12 N ATOM 937 CA TYR A 61 5.077 16.510 9.927 1.00 9.57 C ATOM 938 C TYR A 61 3.978 16.224 8.923 1.00 11.76 C ATOM 939 O TYR A 61 2.804 16.288 9.214 1.00 11.26 O ATOM 940 CB TYR A 61 5.729 15.192 10.333 1.00 9.42 C ATOM 941 CG TYR A 61 7.132 15.465 10.781 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.364 15.986 12.055 1.00 10.26 C ATOM 943 CD2 TYR A 61 8.201 15.212 9.915 1.00 10.68 C ATOM 944 CE1 TYR A 61 8.668 16.255 12.468 1.00 13.99 C ATOM 945 CE2 TYR A 61 9.506 15.479 10.327 1.00 13.03 C ATOM 946 CZ TYR A 61 9.738 16.001 11.602 1.00 11.06 C ATOM 947 OH TYR A 61 11.027 16.259 12.015 1.00 14.61 O ATOM 0 H TYR A 61 3.663 16.820 11.492 1.00 11.12 H new ATOM 0 HA TYR A 61 5.814 17.168 9.467 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.161 14.722 11.136 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.729 14.497 9.493 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.535 16.180 12.719 1.00 10.26 H new ATOM 0 HD2 TYR A 61 8.016 14.811 8.930 1.00 10.68 H new ATOM 0 HE1 TYR A 61 8.852 16.658 13.453 1.00 13.99 H new ATOM 0 HE2 TYR A 61 10.335 15.283 9.663 1.00 13.03 H new ATOM 0 HH TYR A 61 11.041 16.381 12.987 1.00 14.61 H new ATOM 957 N THR A 62 4.378 15.884 7.742 1.00 12.22 N ATOM 958 CA THR A 62 3.416 15.547 6.676 1.00 14.26 C ATOM 959 C THR A 62 4.112 14.532 5.795 1.00 15.40 C ATOM 960 O THR A 62 5.195 14.772 5.300 1.00 16.24 O ATOM 961 CB THR A 62 3.067 16.787 5.866 1.00 15.07 C ATOM 962 OG1 THR A 62 4.199 17.195 5.111 1.00 18.36 O ATOM 963 CG2 THR A 62 2.649 17.907 6.815 1.00 11.61 C ATOM 0 H THR A 62 5.358 15.824 7.464 1.00 12.22 H new ATOM 0 HA THR A 62 2.486 15.154 7.088 1.00 14.26 H new ATOM 0 HB THR A 62 2.245 16.562 5.186 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.633 16.408 4.721 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.398 18.798 6.239 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.779 17.590 7.391 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.471 18.134 7.494 1.00 11.61 H new ATOM 971 N VAL A 63 3.537 13.393 5.614 1.00 14.65 N ATOM 972 CA VAL A 63 4.228 12.382 4.787 1.00 15.17 C ATOM 973 C VAL A 63 4.568 13.004 3.438 1.00 14.24 C ATOM 974 O VAL A 63 4.035 14.028 3.060 1.00 19.13 O ATOM 975 CB VAL A 63 3.360 11.145 4.604 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.265 9.941 4.355 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.527 10.900 5.868 1.00 18.64 C ATOM 0 H VAL A 63 2.632 13.117 5.995 1.00 14.65 H new ATOM 0 HA VAL A 63 5.144 12.068 5.288 1.00 15.17 H new ATOM 0 HB VAL A 63 2.689 11.292 3.758 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.654 9.048 4.222 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.858 10.112 3.457 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.929 9.803 5.208 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.908 10.013 5.730 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.192 10.750 6.718 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.888 11.763 6.055 1.00 18.64 H new ATOM 987 N HIS A 64 5.463 12.403 2.718 1.00 13.31 N ATOM 988 CA HIS A 64 5.857 12.967 1.399 1.00 10.78 C ATOM 989 C HIS A 64 5.670 11.898 0.323 1.00 14.19 C ATOM 990 O HIS A 64 6.160 10.788 0.449 1.00 11.59 O ATOM 991 CB HIS A 64 7.327 13.397 1.449 1.00 11.86 C ATOM 992 CG HIS A 64 7.583 14.470 0.423 1.00 13.39 C ATOM 993 ND1 HIS A 64 6.955 14.482 -0.813 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.410 15.567 0.431 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.411 15.546 -1.492 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.300 16.245 -0.780 1.00 20.65 N ATOM 0 H HIS A 64 5.942 11.543 2.983 1.00 13.31 H new ATOM 0 HA HIS A 64 5.237 13.832 1.166 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.573 13.767 2.444 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.972 12.539 1.260 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.048 15.859 1.252 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.098 15.806 -2.492 1.00 19.32 H new ATOM 0 HE2 HIS A 64 8.792 17.093 -1.063 1.00 20.65 H new ATOM 1004 N LEU A 65 4.970 12.220 -0.736 1.00 12.93 N ATOM 1005 CA LEU A 65 4.755 11.222 -1.817 1.00 14.44 C ATOM 1006 C LEU A 65 6.050 11.007 -2.600 1.00 12.66 C ATOM 1007 O LEU A 65 6.085 10.241 -3.543 1.00 10.20 O ATOM 1008 CB LEU A 65 3.660 11.706 -2.765 1.00 14.94 C ATOM 1009 CG LEU A 65 4.189 12.852 -3.602 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.188 12.447 -5.076 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.303 14.076 -3.395 1.00 19.03 C ATOM 0 H LEU A 65 4.540 13.131 -0.895 1.00 12.93 H new ATOM 0 HA LEU A 65 4.449 10.278 -1.365 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.335 10.890 -3.410 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.788 12.029 -2.196 1.00 14.94 H new ATOM 0 HG LEU A 65 5.208 13.092 -3.300 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.568 13.271 -5.680 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.824 11.572 -5.213 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.171 12.209 -5.387 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.680 14.904 -3.996 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.283 13.842 -3.699 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.312 14.358 -2.342 1.00 19.03 H new ATOM 1023 N SER A 66 7.129 11.639 -2.212 1.00 13.51 N ATOM 1024 CA SER A 66 8.400 11.406 -2.942 1.00 10.39 C ATOM 1025 C SER A 66 8.668 9.904 -2.909 1.00 8.56 C ATOM 1026 O SER A 66 9.416 9.367 -3.702 1.00 11.70 O ATOM 1027 CB SER A 66 9.540 12.150 -2.246 1.00 12.88 C ATOM 1028 OG SER A 66 10.748 11.420 -2.413 1.00 14.72 O ATOM 0 H SER A 66 7.180 12.295 -1.433 1.00 13.51 H new ATOM 0 HA SER A 66 8.331 11.767 -3.968 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.646 13.151 -2.665 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.318 12.270 -1.186 1.00 12.88 H new ATOM 0 HG SER A 66 11.481 11.895 -1.969 1.00 14.72 H new ATOM 1034 N SER A 67 8.046 9.228 -1.977 1.00 7.98 N ATOM 1035 CA SER A 67 8.230 7.760 -1.845 1.00 8.20 C ATOM 1036 C SER A 67 7.095 7.018 -2.564 1.00 11.02 C ATOM 1037 O SER A 67 7.120 5.810 -2.691 1.00 11.45 O ATOM 1038 CB SER A 67 8.210 7.387 -0.364 1.00 8.01 C ATOM 1039 OG SER A 67 9.199 8.146 0.319 1.00 11.22 O ATOM 0 H SER A 67 7.410 9.641 -1.295 1.00 7.98 H new ATOM 0 HA SER A 67 9.182 7.477 -2.293 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.225 7.584 0.060 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.403 6.321 -0.242 1.00 8.01 H new ATOM 0 HG SER A 67 9.546 7.627 1.074 1.00 11.22 H new ATOM 1045 N PHE A 68 6.088 7.721 -3.014 1.00 10.09 N ATOM 1046 CA PHE A 68 4.950 7.041 -3.696 1.00 11.79 C ATOM 1047 C PHE A 68 5.325 6.727 -5.145 1.00 12.69 C ATOM 1048 O PHE A 68 6.245 7.296 -5.700 1.00 14.25 O ATOM 1049 CB PHE A 68 3.717 7.954 -3.682 1.00 10.08 C ATOM 1050 CG PHE A 68 3.409 8.416 -2.273 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.171 7.972 -1.180 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.371 9.334 -2.070 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.892 8.449 0.104 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.091 9.804 -0.785 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.853 9.364 0.300 1.00 11.87 C ATOM 0 H PHE A 68 6.006 8.735 -2.938 1.00 10.09 H new ATOM 0 HA PHE A 68 4.725 6.114 -3.169 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.891 8.818 -4.323 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.859 7.421 -4.091 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.971 7.263 -1.331 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.786 9.679 -2.909 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.479 8.111 0.945 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.286 10.507 -0.630 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.639 9.732 1.293 1.00 11.87 H new ATOM 1065 N LYS A 69 4.611 5.826 -5.762 1.00 12.51 N ATOM 1066 CA LYS A 69 4.907 5.468 -7.177 1.00 15.38 C ATOM 1067 C LYS A 69 3.731 4.679 -7.751 1.00 15.02 C ATOM 1068 O LYS A 69 2.795 4.345 -7.052 1.00 15.36 O ATOM 1069 CB LYS A 69 6.173 4.612 -7.238 1.00 16.04 C ATOM 1070 CG LYS A 69 6.125 3.547 -6.140 1.00 20.35 C ATOM 1071 CD LYS A 69 7.361 2.651 -6.244 1.00 21.35 C ATOM 1072 CE LYS A 69 7.106 1.546 -7.272 1.00 30.24 C ATOM 1073 NZ LYS A 69 7.055 2.139 -8.638 1.00 32.70 N ATOM 0 H LYS A 69 3.831 5.320 -5.344 1.00 12.51 H new ATOM 0 HA LYS A 69 5.060 6.377 -7.759 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.257 4.137 -8.216 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.055 5.240 -7.112 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.088 4.022 -5.159 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.219 2.948 -6.238 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.228 3.242 -6.538 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.588 2.213 -5.272 1.00 21.35 H new ATOM 0 HE2 LYS A 69 7.895 0.796 -7.219 1.00 30.24 H new ATOM 0 HE3 LYS A 69 6.168 1.037 -7.050 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 7.305 1.414 -9.341 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 6.094 2.489 -8.829 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 7.730 2.928 -8.699 1.00 32.70 H new ATOM 1087 N VAL A 70 3.769 4.379 -9.018 1.00 13.65 N ATOM 1088 CA VAL A 70 2.647 3.612 -9.633 1.00 13.49 C ATOM 1089 C VAL A 70 3.044 2.140 -9.758 1.00 11.85 C ATOM 1090 O VAL A 70 3.816 1.764 -10.617 1.00 12.13 O ATOM 1091 CB VAL A 70 2.318 4.163 -11.024 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.803 4.337 -11.155 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.005 5.518 -11.238 1.00 15.63 C ATOM 0 H VAL A 70 4.525 4.630 -9.655 1.00 13.65 H new ATOM 0 HA VAL A 70 1.768 3.710 -8.996 1.00 13.49 H new ATOM 0 HB VAL A 70 2.678 3.461 -11.776 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.566 4.729 -12.144 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.313 3.373 -11.020 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.450 5.033 -10.394 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.762 5.897 -12.231 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.657 6.225 -10.485 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.085 5.396 -11.151 1.00 15.63 H new ATOM 1103 N GLY A 71 2.520 1.304 -8.905 1.00 11.15 N ATOM 1104 CA GLY A 71 2.862 -0.146 -8.969 1.00 11.07 C ATOM 1105 C GLY A 71 2.030 -0.822 -10.062 1.00 12.15 C ATOM 1106 O GLY A 71 1.401 -0.167 -10.869 1.00 12.70 O ATOM 0 H GLY A 71 1.868 1.563 -8.164 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.925 -0.271 -9.177 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.669 -0.619 -8.006 1.00 11.07 H new ATOM 1110 N GLN A 72 2.022 -2.129 -10.099 1.00 15.78 N ATOM 1111 CA GLN A 72 1.232 -2.837 -11.144 1.00 19.42 C ATOM 1112 C GLN A 72 -0.187 -3.092 -10.639 1.00 16.97 C ATOM 1113 O GLN A 72 -0.873 -3.982 -11.100 1.00 20.46 O ATOM 1114 CB GLN A 72 1.898 -4.167 -11.482 1.00 22.64 C ATOM 1115 CG GLN A 72 2.101 -4.956 -10.197 1.00 25.29 C ATOM 1116 CD GLN A 72 1.237 -6.217 -10.226 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.721 -7.293 -10.513 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.034 -6.127 -9.940 1.00 25.15 N ATOM 0 H GLN A 72 2.528 -2.734 -9.452 1.00 15.78 H new ATOM 0 HA GLN A 72 1.190 -2.215 -12.038 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.279 -4.733 -12.178 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.855 -3.995 -11.974 1.00 22.64 H new ATOM 0 HG2 GLN A 72 3.151 -5.225 -10.086 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.837 -4.342 -9.336 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.440 -5.223 -9.699 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.621 -6.961 -9.958 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.627 -2.315 -9.696 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.000 -2.498 -9.152 1.00 14.60 C ATOM 1129 C PHE A 73 -2.971 -1.576 -9.894 1.00 15.63 C ATOM 1130 O PHE A 73 -4.174 -1.715 -9.792 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.004 -2.149 -7.664 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.403 -2.291 -7.117 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.026 -3.545 -7.107 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -4.077 -1.170 -6.619 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.324 -3.677 -6.599 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -5.375 -1.303 -6.111 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.998 -2.556 -6.101 1.00 17.88 C ATOM 0 H PHE A 73 -0.093 -1.555 -9.274 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.310 -3.534 -9.286 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.323 -2.806 -7.124 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -1.647 -1.130 -7.518 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.506 -4.410 -7.491 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.596 -0.203 -6.627 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -5.805 -4.644 -6.591 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -5.896 -0.438 -5.727 1.00 18.68 H new ATOM 0 HZ PHE A 73 -6.999 -2.658 -5.709 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.459 -0.634 -10.640 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.354 0.295 -11.384 1.00 13.44 C ATOM 1149 C GLY A 74 -3.728 1.476 -10.487 1.00 10.42 C ATOM 1150 O GLY A 74 -4.884 1.821 -10.349 1.00 13.62 O ATOM 0 H GLY A 74 -1.460 -0.469 -10.765 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.855 0.653 -12.285 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.254 -0.230 -11.705 1.00 13.44 H new ATOM 1154 N SER A 75 -2.759 2.100 -9.874 1.00 12.64 N ATOM 1155 CA SER A 75 -3.064 3.258 -8.986 1.00 12.47 C ATOM 1156 C SER A 75 -1.802 3.669 -8.225 1.00 12.47 C ATOM 1157 O SER A 75 -0.785 3.008 -8.285 1.00 11.32 O ATOM 1158 CB SER A 75 -4.154 2.862 -7.991 1.00 11.21 C ATOM 1159 OG SER A 75 -5.282 3.708 -8.168 1.00 18.27 O ATOM 0 H SER A 75 -1.771 1.858 -9.949 1.00 12.64 H new ATOM 0 HA SER A 75 -3.410 4.097 -9.590 1.00 12.47 H new ATOM 0 HB2 SER A 75 -4.439 1.821 -8.142 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.779 2.946 -6.971 1.00 11.21 H new ATOM 0 HG SER A 75 -5.499 3.769 -9.122 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.861 4.760 -7.511 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.667 5.219 -6.747 1.00 12.18 C ATOM 1167 C LEU A 76 -0.512 4.375 -5.480 1.00 12.07 C ATOM 1168 O LEU A 76 -1.477 3.895 -4.920 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.843 6.689 -6.362 1.00 11.99 C ATOM 1170 CG LEU A 76 0.510 7.278 -5.961 1.00 8.87 C ATOM 1171 CD1 LEU A 76 1.387 7.441 -7.205 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.295 8.644 -5.304 1.00 7.80 C ATOM 0 H LEU A 76 -2.686 5.354 -7.424 1.00 12.43 H new ATOM 0 HA LEU A 76 0.223 5.108 -7.366 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.261 7.248 -7.200 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.549 6.777 -5.536 1.00 11.99 H new ATOM 0 HG LEU A 76 1.004 6.609 -5.256 1.00 8.87 H new ATOM 0 HD11 LEU A 76 2.351 7.861 -6.918 1.00 9.28 H new ATOM 0 HD12 LEU A 76 1.540 6.468 -7.673 1.00 9.28 H new ATOM 0 HD13 LEU A 76 0.896 8.110 -7.911 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.258 9.066 -5.017 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.199 9.313 -6.009 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.328 8.527 -4.417 1.00 7.80 H new ATOM 1184 N MET A 77 0.698 4.192 -5.024 1.00 14.08 N ATOM 1185 CA MET A 77 0.921 3.382 -3.793 1.00 14.12 C ATOM 1186 C MET A 77 2.240 3.801 -3.141 1.00 11.37 C ATOM 1187 O MET A 77 3.245 3.973 -3.803 1.00 11.44 O ATOM 1188 CB MET A 77 0.985 1.899 -4.164 1.00 16.48 C ATOM 1189 CG MET A 77 -0.061 1.595 -5.237 1.00 24.75 C ATOM 1190 SD MET A 77 0.005 -0.163 -5.663 1.00 35.11 S ATOM 1191 CE MET A 77 -1.487 -0.667 -4.773 1.00 33.86 C ATOM 0 H MET A 77 1.543 4.570 -5.452 1.00 14.08 H new ATOM 0 HA MET A 77 0.101 3.547 -3.095 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.980 1.648 -4.530 1.00 16.48 H new ATOM 0 HB3 MET A 77 0.805 1.285 -3.282 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.056 1.855 -4.875 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.124 2.202 -6.123 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.723 -1.703 -5.015 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.319 -0.574 -3.700 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.319 -0.028 -5.067 1.00 33.86 H new ATOM 1201 N ILE A 78 2.245 3.968 -1.847 1.00 11.78 N ATOM 1202 CA ILE A 78 3.500 4.380 -1.154 1.00 11.62 C ATOM 1203 C ILE A 78 4.537 3.258 -1.237 1.00 11.45 C ATOM 1204 O ILE A 78 4.222 2.091 -1.112 1.00 12.59 O ATOM 1205 CB ILE A 78 3.217 4.656 0.323 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.387 5.931 0.470 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.540 4.817 1.077 1.00 10.70 C ATOM 1208 CD1 ILE A 78 1.029 5.586 1.083 1.00 13.67 C ATOM 0 H ILE A 78 1.436 3.837 -1.240 1.00 11.78 H new ATOM 0 HA ILE A 78 3.878 5.280 -1.639 1.00 11.62 H new ATOM 0 HB ILE A 78 2.658 3.818 0.740 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.911 6.649 1.101 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.250 6.403 -0.503 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.337 5.014 2.130 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.125 3.902 0.985 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.101 5.650 0.654 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.436 6.494 1.188 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.505 4.884 0.435 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.177 5.133 2.064 1.00 13.67 H new ATOM 1220 N ASP A 79 5.775 3.613 -1.408 1.00 10.05 N ATOM 1221 CA ASP A 79 6.858 2.588 -1.456 1.00 14.79 C ATOM 1222 C ASP A 79 7.652 2.695 -0.156 1.00 15.20 C ATOM 1223 O ASP A 79 8.012 1.713 0.462 1.00 18.10 O ATOM 1224 CB ASP A 79 7.776 2.855 -2.651 1.00 12.21 C ATOM 1225 CG ASP A 79 8.341 1.530 -3.166 1.00 17.52 C ATOM 1226 OD1 ASP A 79 7.581 0.766 -3.739 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.525 1.300 -2.978 1.00 21.87 O ATOM 0 H ASP A 79 6.090 4.577 -1.518 1.00 10.05 H new ATOM 0 HA ASP A 79 6.436 1.589 -1.566 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.222 3.359 -3.443 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.589 3.520 -2.358 1.00 12.21 H new ATOM 1232 N ARG A 80 7.892 3.901 0.264 1.00 17.08 N ATOM 1233 CA ARG A 80 8.625 4.152 1.533 1.00 17.14 C ATOM 1234 C ARG A 80 8.367 5.602 1.922 1.00 14.98 C ATOM 1235 O ARG A 80 9.242 6.443 1.891 1.00 16.47 O ATOM 1236 CB ARG A 80 10.124 3.911 1.339 1.00 17.78 C ATOM 1237 CG ARG A 80 10.880 4.351 2.594 1.00 22.76 C ATOM 1238 CD ARG A 80 11.854 3.249 3.018 1.00 28.43 C ATOM 1239 NE ARG A 80 13.225 3.586 2.540 1.00 33.10 N ATOM 1240 CZ ARG A 80 14.262 2.959 3.028 1.00 30.84 C ATOM 1241 NH1 ARG A 80 14.103 2.035 3.937 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.460 3.256 2.605 1.00 35.04 N ATOM 0 H ARG A 80 7.604 4.745 -0.231 1.00 17.08 H new ATOM 0 HA ARG A 80 8.282 3.476 2.316 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.310 2.855 1.141 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.483 4.466 0.472 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.423 5.275 2.398 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.177 4.559 3.400 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.851 3.144 4.103 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.538 2.291 2.604 1.00 28.43 H new ATOM 0 HE ARG A 80 13.354 4.307 1.831 1.00 33.10 H new ATOM 0 HH11 ARG A 80 13.167 1.801 4.268 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.915 1.547 4.316 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.586 3.977 1.894 1.00 35.04 H new ATOM 0 HH22 ARG A 80 16.271 2.767 2.985 1.00 35.04 H new ATOM 1256 N LEU A 81 7.139 5.878 2.248 1.00 11.03 N ATOM 1257 CA LEU A 81 6.701 7.253 2.612 1.00 11.27 C ATOM 1258 C LEU A 81 7.841 8.079 3.225 1.00 15.61 C ATOM 1259 O LEU A 81 8.389 7.745 4.256 1.00 18.56 O ATOM 1260 CB LEU A 81 5.516 7.142 3.576 1.00 13.62 C ATOM 1261 CG LEU A 81 5.990 7.194 5.025 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.773 7.165 5.952 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.876 5.975 5.306 1.00 18.72 C ATOM 0 H LEU A 81 6.394 5.182 2.278 1.00 11.03 H new ATOM 0 HA LEU A 81 6.398 7.781 1.708 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.812 7.953 3.389 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.982 6.209 3.397 1.00 13.62 H new ATOM 0 HG LEU A 81 6.559 8.108 5.198 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.105 7.202 6.990 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.136 8.025 5.744 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.209 6.247 5.784 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.219 6.005 6.340 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.303 5.063 5.140 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.737 5.989 4.638 1.00 18.72 H new ATOM 1275 N ARG A 82 8.183 9.173 2.596 1.00 13.37 N ATOM 1276 CA ARG A 82 9.264 10.043 3.140 1.00 12.72 C ATOM 1277 C ARG A 82 8.620 11.116 4.019 1.00 13.33 C ATOM 1278 O ARG A 82 8.067 12.080 3.531 1.00 13.27 O ATOM 1279 CB ARG A 82 10.018 10.707 1.985 1.00 13.85 C ATOM 1280 CG ARG A 82 11.351 9.991 1.766 1.00 16.22 C ATOM 1281 CD ARG A 82 12.307 10.328 2.911 1.00 16.62 C ATOM 1282 NE ARG A 82 12.491 9.128 3.776 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.479 9.080 4.630 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.310 10.083 4.730 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.636 8.028 5.385 1.00 16.89 N ATOM 0 H ARG A 82 7.759 9.501 1.728 1.00 13.37 H new ATOM 0 HA ARG A 82 9.967 9.450 3.725 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.419 10.668 1.075 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.191 11.760 2.208 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.193 8.914 1.716 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.786 10.294 0.814 1.00 16.22 H new ATOM 0 HD2 ARG A 82 13.268 10.653 2.512 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.910 11.155 3.499 1.00 16.62 H new ATOM 0 HE ARG A 82 11.844 8.343 3.701 1.00 15.85 H new ATOM 0 HH11 ARG A 82 14.189 10.907 4.141 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.080 10.043 5.398 1.00 20.55 H new ATOM 0 HH21 ARG A 82 12.988 7.244 5.308 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.407 7.989 6.052 1.00 16.89 H new ATOM 1299 N LEU A 83 8.661 10.946 5.311 1.00 13.53 N ATOM 1300 CA LEU A 83 8.021 11.947 6.214 1.00 13.86 C ATOM 1301 C LEU A 83 8.809 13.256 6.224 1.00 13.02 C ATOM 1302 O LEU A 83 10.019 13.276 6.116 1.00 14.40 O ATOM 1303 CB LEU A 83 7.962 11.400 7.639 1.00 9.93 C ATOM 1304 CG LEU A 83 6.534 11.497 8.179 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.553 11.273 9.695 1.00 8.88 C ATOM 1306 CD2 LEU A 83 5.970 12.888 7.882 1.00 10.58 C ATOM 0 H LEU A 83 9.109 10.159 5.781 1.00 13.53 H new ATOM 0 HA LEU A 83 7.014 12.138 5.842 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.295 10.362 7.653 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.641 11.961 8.281 1.00 9.93 H new ATOM 0 HG LEU A 83 5.910 10.741 7.701 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.538 11.341 10.086 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.960 10.285 9.912 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.175 12.033 10.167 1.00 8.88 H new ATOM 0 HD21 LEU A 83 4.952 12.958 8.267 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.592 13.643 8.363 1.00 10.58 H new ATOM 0 HD23 LEU A 83 5.963 13.055 6.805 1.00 10.58 H new ATOM 1318 N VAL A 84 8.114 14.349 6.364 1.00 11.81 N ATOM 1319 CA VAL A 84 8.774 15.673 6.399 1.00 12.86 C ATOM 1320 C VAL A 84 7.987 16.578 7.356 1.00 14.98 C ATOM 1321 O VAL A 84 6.796 16.403 7.521 1.00 13.59 O ATOM 1322 CB VAL A 84 8.751 16.267 4.995 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.681 15.464 4.084 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.324 16.214 4.443 1.00 17.34 C ATOM 0 H VAL A 84 7.099 14.376 6.457 1.00 11.81 H new ATOM 0 HA VAL A 84 9.806 15.583 6.739 1.00 12.86 H new ATOM 0 HB VAL A 84 9.088 17.303 5.034 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.664 15.889 3.081 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.697 15.502 4.477 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.346 14.428 4.044 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.306 16.638 3.439 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.987 15.178 4.405 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.662 16.788 5.091 1.00 17.34 H new ATOM 1334 N PRO A 85 8.666 17.525 7.948 1.00 18.65 N ATOM 1335 CA PRO A 85 8.039 18.479 8.880 1.00 22.41 C ATOM 1336 C PRO A 85 7.015 19.354 8.145 1.00 25.70 C ATOM 1337 O PRO A 85 7.194 19.701 6.994 1.00 22.08 O ATOM 1338 CB PRO A 85 9.215 19.286 9.430 1.00 21.19 C ATOM 1339 CG PRO A 85 10.357 19.104 8.419 1.00 18.95 C ATOM 1340 CD PRO A 85 10.104 17.749 7.737 1.00 20.63 C ATOM 0 HA PRO A 85 7.477 17.999 9.681 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.951 20.338 9.537 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.507 18.929 10.418 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.365 19.913 7.689 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.326 19.115 8.918 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.355 17.780 6.677 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.704 16.956 8.183 1.00 20.63 H new ATOM 1348 N ALA A 86 5.935 19.697 8.797 1.00 31.74 N ATOM 1349 CA ALA A 86 4.887 20.530 8.136 1.00 39.94 C ATOM 1350 C ALA A 86 5.358 21.984 8.066 1.00 46.96 C ATOM 1351 O ALA A 86 5.626 22.609 9.072 1.00 49.29 O ATOM 1352 CB ALA A 86 3.590 20.449 8.947 1.00 39.70 C ATOM 0 H ALA A 86 5.733 19.435 9.762 1.00 31.74 H new ATOM 0 HA ALA A 86 4.709 20.160 7.126 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.822 21.056 8.467 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.255 19.413 8.996 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.768 20.820 9.956 1.00 39.70 H new ATOM 1358 N LYS A 87 5.460 22.527 6.883 1.00 51.78 N ATOM 1359 CA LYS A 87 5.913 23.940 6.749 1.00 55.12 C ATOM 1360 C LYS A 87 4.879 24.733 5.947 1.00 55.82 C ATOM 1361 O LYS A 87 4.405 24.212 4.951 1.00 58.05 O ATOM 1362 CB LYS A 87 7.259 23.977 6.021 1.00 52.96 C ATOM 1363 CG LYS A 87 8.167 22.873 6.569 1.00 55.49 C ATOM 1364 CD LYS A 87 9.407 22.744 5.682 1.00 56.64 C ATOM 1365 CE LYS A 87 10.619 23.331 6.408 1.00 58.91 C ATOM 1366 NZ LYS A 87 11.725 22.332 6.417 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.580 25.848 6.342 1.00 57.66 O ATOM 0 H LYS A 87 5.249 22.053 6.005 1.00 51.78 H new ATOM 0 HA LYS A 87 6.022 24.382 7.739 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.109 23.841 4.950 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.731 24.950 6.156 1.00 52.96 H new ATOM 0 HG2 LYS A 87 8.462 23.105 7.593 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.628 21.926 6.599 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.587 21.696 5.441 1.00 56.64 H new ATOM 0 HD3 LYS A 87 9.248 23.266 4.738 1.00 56.64 H new ATOM 0 HE2 LYS A 87 10.945 24.246 5.913 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.349 23.600 7.429 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 12.631 22.818 6.574 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 11.565 21.644 7.180 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 11.752 21.836 5.503 1.00 58.16 H new ATOM 1382 N MET B 1 2.680 17.455 -2.405 1.00 42.32 N ATOM 1383 CA MET B 1 1.296 17.300 -2.936 1.00 40.89 C ATOM 1384 C MET B 1 1.320 16.385 -4.161 1.00 34.75 C ATOM 1385 O MET B 1 1.674 16.803 -5.246 1.00 33.97 O ATOM 1386 CB MET B 1 0.744 18.674 -3.338 1.00 48.45 C ATOM 1387 CG MET B 1 -0.463 18.504 -4.271 1.00 56.13 C ATOM 1388 SD MET B 1 -1.800 19.599 -3.731 1.00 64.91 S ATOM 1389 CE MET B 1 -1.303 21.053 -4.687 1.00 63.43 C ATOM 0 H1 MET B 1 2.664 18.077 -1.572 1.00 42.32 H new ATOM 0 H2 MET B 1 3.054 16.523 -2.134 1.00 42.32 H new ATOM 0 H3 MET B 1 3.288 17.873 -3.138 1.00 42.32 H new ATOM 0 HA MET B 1 0.660 16.863 -2.166 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.450 19.231 -2.448 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.520 19.255 -3.836 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.179 18.737 -5.297 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.801 17.468 -4.262 1.00 56.13 H new ATOM 0 HE1 MET B 1 -1.714 21.950 -4.224 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.215 21.121 -4.708 1.00 63.43 H new ATOM 0 HE3 MET B 1 -1.680 20.965 -5.706 1.00 63.43 H new ATOM 1401 N ILE B 2 0.939 15.145 -4.000 1.00 28.59 N ATOM 1402 CA ILE B 2 0.930 14.216 -5.169 1.00 24.58 C ATOM 1403 C ILE B 2 0.352 14.951 -6.373 1.00 19.29 C ATOM 1404 O ILE B 2 -0.671 15.599 -6.280 1.00 19.53 O ATOM 1405 CB ILE B 2 0.082 12.977 -4.875 1.00 25.10 C ATOM 1406 CG1 ILE B 2 -0.969 13.307 -3.798 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.996 11.829 -4.426 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.610 12.674 -2.442 1.00 33.80 C ATOM 0 H ILE B 2 0.635 14.737 -3.116 1.00 28.59 H new ATOM 0 HA ILE B 2 1.951 13.892 -5.373 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.445 12.666 -5.777 1.00 25.10 H new ATOM 0 HG12 ILE B 2 -1.048 14.388 -3.686 1.00 28.92 H new ATOM 0 HG13 ILE B 2 -1.946 12.948 -4.120 1.00 28.92 H new ATOM 0 HG21 ILE B 2 0.394 10.945 -4.216 1.00 23.06 H new ATOM 0 HG22 ILE B 2 1.710 11.602 -5.217 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.534 12.124 -3.525 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -1.374 12.929 -1.708 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -0.556 11.591 -2.549 1.00 33.80 H new ATOM 0 HD13 ILE B 2 0.355 13.054 -2.107 1.00 33.80 H new ATOM 1420 N LYS B 3 1.004 14.881 -7.497 1.00 18.14 N ATOM 1421 CA LYS B 3 0.483 15.606 -8.685 1.00 16.66 C ATOM 1422 C LYS B 3 -0.198 14.638 -9.639 1.00 14.94 C ATOM 1423 O LYS B 3 0.100 13.461 -9.676 1.00 13.94 O ATOM 1424 CB LYS B 3 1.633 16.316 -9.402 1.00 16.94 C ATOM 1425 CG LYS B 3 1.849 17.698 -8.783 1.00 17.85 C ATOM 1426 CD LYS B 3 2.736 18.539 -9.705 1.00 19.63 C ATOM 1427 CE LYS B 3 2.058 19.882 -9.981 1.00 26.28 C ATOM 1428 NZ LYS B 3 2.895 20.985 -9.429 1.00 32.72 N ATOM 0 H LYS B 3 1.867 14.358 -7.644 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.248 16.344 -8.354 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.545 15.724 -9.322 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.408 16.413 -10.464 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.890 18.194 -8.632 1.00 17.85 H new ATOM 0 HG3 LYS B 3 2.315 17.600 -7.803 1.00 17.85 H new ATOM 0 HD2 LYS B 3 3.710 18.700 -9.243 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.911 18.009 -10.641 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.920 20.018 -11.054 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.067 19.901 -9.527 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.434 21.898 -9.617 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 3.005 20.857 -8.403 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 3.831 20.970 -9.882 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.124 15.136 -10.408 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.850 14.264 -11.359 1.00 12.99 C ATOM 1444 C VAL B 4 -2.488 15.116 -12.458 1.00 14.26 C ATOM 1445 O VAL B 4 -2.586 16.323 -12.354 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.947 13.499 -10.612 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.607 12.488 -11.550 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.354 12.767 -9.403 1.00 10.41 C ATOM 0 H VAL B 4 -1.408 16.116 -10.416 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.150 13.560 -11.808 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.695 14.211 -10.264 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.386 11.948 -11.012 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.048 13.012 -12.398 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -2.858 11.782 -11.910 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.144 12.227 -8.881 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.595 12.062 -9.741 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.901 13.491 -8.726 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.920 14.483 -13.509 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.557 15.216 -14.636 1.00 10.51 C ATOM 1460 C GLU B 5 -4.512 14.276 -15.349 1.00 10.00 C ATOM 1461 O GLU B 5 -4.113 13.418 -16.108 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.481 15.689 -15.608 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.881 16.986 -15.078 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.773 17.465 -16.018 1.00 18.63 C ATOM 1465 OE1 GLU B 5 0.190 16.736 -16.186 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -0.907 18.553 -16.554 1.00 19.38 O ATOM 0 H GLU B 5 -2.858 13.473 -13.638 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.102 16.082 -14.259 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.706 14.929 -15.713 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.909 15.847 -16.598 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.655 17.749 -14.995 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.479 16.829 -14.077 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.776 14.428 -15.108 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.752 13.534 -15.787 1.00 10.60 C ATOM 1475 C ILE B 6 -6.813 13.934 -17.268 1.00 10.16 C ATOM 1476 O ILE B 6 -7.398 14.936 -17.631 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.136 13.637 -15.102 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.269 12.505 -14.077 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.263 13.499 -16.126 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -7.983 13.037 -12.671 1.00 13.81 C ATOM 0 H ILE B 6 -6.177 15.123 -14.478 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.440 12.492 -15.713 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.213 14.611 -14.619 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.273 12.082 -14.118 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.574 11.701 -14.319 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.226 13.575 -15.620 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.180 14.293 -16.868 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.188 12.531 -16.621 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.080 12.226 -11.949 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -6.970 13.438 -12.633 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.695 13.826 -12.429 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.195 13.158 -18.123 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.190 13.480 -19.575 1.00 11.59 C ATOM 1494 C LYS B 7 -7.603 13.865 -20.021 1.00 12.98 C ATOM 1495 O LYS B 7 -8.548 13.720 -19.271 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.714 12.244 -20.345 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.243 12.408 -20.752 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.442 13.043 -19.612 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.033 14.459 -20.007 1.00 19.19 C ATOM 1500 NZ LYS B 7 -3.704 15.441 -19.110 1.00 25.43 N ATOM 0 H LYS B 7 -5.690 12.308 -17.870 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.522 14.318 -19.773 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.831 11.354 -19.727 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.331 12.099 -21.232 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.819 11.437 -21.006 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.173 13.030 -21.645 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.041 13.066 -18.701 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.557 12.444 -19.397 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.951 14.568 -19.938 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.307 14.652 -21.044 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -4.448 15.941 -19.638 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.129 14.941 -18.303 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.005 16.128 -18.762 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.707 14.344 -21.236 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.996 14.757 -21.814 1.00 11.93 C ATOM 1516 C PRO B 8 -9.812 13.523 -22.190 1.00 10.20 C ATOM 1517 O PRO B 8 -11.023 13.564 -22.280 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.598 15.569 -23.049 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.166 15.119 -23.421 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.553 14.509 -22.145 1.00 13.61 C ATOM 0 HA PRO B 8 -9.618 15.335 -21.131 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.289 15.388 -23.873 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.627 16.638 -22.838 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.187 14.388 -24.229 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.573 15.964 -23.771 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.069 13.555 -22.352 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.796 15.164 -21.714 1.00 13.61 H new ATOM 1528 N SER B 9 -9.150 12.423 -22.392 1.00 10.65 N ATOM 1529 CA SER B 9 -9.871 11.170 -22.742 1.00 10.83 C ATOM 1530 C SER B 9 -10.103 10.356 -21.466 1.00 10.94 C ATOM 1531 O SER B 9 -10.643 9.269 -21.501 1.00 13.16 O ATOM 1532 CB SER B 9 -9.032 10.354 -23.726 1.00 13.01 C ATOM 1533 OG SER B 9 -9.759 10.185 -24.936 1.00 15.52 O ATOM 0 H SER B 9 -8.136 12.336 -22.330 1.00 10.65 H new ATOM 0 HA SER B 9 -10.828 11.412 -23.203 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.087 10.861 -23.924 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.789 9.383 -23.296 1.00 13.01 H new ATOM 0 HG SER B 9 -9.223 9.664 -25.570 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.701 10.879 -20.336 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.901 10.143 -19.060 1.00 11.55 C ATOM 1541 C GLN B 10 -10.735 11.003 -18.111 1.00 13.72 C ATOM 1542 O GLN B 10 -10.464 11.080 -16.930 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.550 9.849 -18.415 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.540 9.489 -19.499 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.809 8.068 -19.998 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.886 7.538 -19.805 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.870 7.423 -20.636 1.00 4.80 N ATOM 0 H GLN B 10 -9.243 11.786 -20.246 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.416 9.204 -19.261 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.205 10.718 -17.855 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.645 9.029 -17.704 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.611 10.195 -20.326 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.526 9.561 -19.105 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.966 7.867 -20.798 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.040 6.475 -20.972 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.741 11.661 -18.617 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.581 12.521 -17.735 1.00 18.95 C ATOM 1558 C ALA B 11 -13.960 11.885 -17.553 1.00 20.75 C ATOM 1559 O ALA B 11 -14.881 12.506 -17.059 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.737 13.904 -18.368 1.00 17.72 C ATOM 0 H ALA B 11 -12.017 11.641 -19.599 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.098 12.618 -16.763 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.351 14.532 -17.723 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.755 14.361 -18.491 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.216 13.806 -19.342 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.111 10.652 -17.945 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.422 9.973 -17.794 1.00 25.43 C ATOM 1568 C GLN B 12 -15.190 8.600 -17.150 1.00 22.80 C ATOM 1569 O GLN B 12 -14.222 7.926 -17.443 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.064 9.826 -19.184 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.873 8.531 -19.263 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.038 8.709 -20.238 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.882 8.527 -21.429 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.208 9.062 -19.780 1.00 47.90 N ATOM 0 H GLN B 12 -13.376 10.083 -18.366 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.092 10.552 -17.158 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.711 10.680 -19.385 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.290 9.826 -19.951 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.234 7.711 -19.591 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.250 8.266 -18.275 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.339 9.215 -18.780 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.991 9.185 -20.422 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.064 8.178 -16.277 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.879 6.856 -15.628 1.00 20.51 C ATOM 1585 C PHE B 13 -16.648 5.791 -16.402 1.00 18.83 C ATOM 1586 O PHE B 13 -17.477 6.090 -17.239 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.424 6.917 -14.206 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.856 7.396 -14.266 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.889 6.486 -14.520 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -18.148 8.753 -14.080 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -20.212 6.936 -14.586 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.469 9.200 -14.146 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.500 8.293 -14.399 1.00 18.48 C ATOM 0 H PHE B 13 -16.896 8.693 -15.988 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.818 6.606 -15.615 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.372 5.934 -13.737 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.823 7.593 -13.598 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.665 5.439 -14.665 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.350 9.455 -13.885 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -21.011 6.236 -14.781 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.693 10.247 -14.001 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.522 8.639 -14.451 1.00 18.48 H new ATOM 1603 N THR B 14 -16.390 4.548 -16.115 1.00 14.89 N ATOM 1604 CA THR B 14 -17.114 3.456 -16.815 1.00 13.37 C ATOM 1605 C THR B 14 -17.558 2.420 -15.784 1.00 11.97 C ATOM 1606 O THR B 14 -16.924 2.233 -14.765 1.00 10.76 O ATOM 1607 CB THR B 14 -16.191 2.796 -17.840 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.797 3.756 -18.810 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.930 1.646 -18.525 1.00 9.24 C ATOM 0 H THR B 14 -15.706 4.241 -15.423 1.00 14.89 H new ATOM 0 HA THR B 14 -17.983 3.863 -17.332 1.00 13.37 H new ATOM 0 HB THR B 14 -15.306 2.407 -17.336 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.204 3.334 -19.466 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.273 1.175 -19.256 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.229 0.910 -17.779 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.816 2.032 -19.029 1.00 9.24 H new ATOM 1617 N THR B 15 -18.644 1.747 -16.036 1.00 13.20 N ATOM 1618 CA THR B 15 -19.123 0.729 -15.063 1.00 12.54 C ATOM 1619 C THR B 15 -18.402 -0.596 -15.317 1.00 14.34 C ATOM 1620 O THR B 15 -18.601 -1.239 -16.328 1.00 17.35 O ATOM 1621 CB THR B 15 -20.631 0.531 -15.231 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.199 1.699 -15.807 1.00 17.15 O ATOM 1623 CG2 THR B 15 -21.266 0.272 -13.865 1.00 8.30 C ATOM 0 H THR B 15 -19.219 1.857 -16.871 1.00 13.20 H new ATOM 0 HA THR B 15 -18.913 1.068 -14.049 1.00 12.54 H new ATOM 0 HB THR B 15 -20.817 -0.322 -15.883 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.165 1.573 -15.917 1.00 17.15 H new ATOM 0 HG21 THR B 15 -22.340 0.131 -13.984 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.829 -0.624 -13.425 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.082 1.124 -13.211 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.878 -0.458 -9.441 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.727 1.009 -9.218 1.00 16.31 C ATOM 1818 C LEU B 28 -18.108 1.666 -10.454 1.00 14.21 C ATOM 1819 O LEU B 28 -17.411 1.035 -11.224 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.821 1.248 -8.011 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.512 2.195 -7.029 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.851 1.438 -5.743 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.575 3.362 -6.704 1.00 22.01 C ATOM 0 HA LEU B 28 -19.709 1.445 -9.035 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.595 0.301 -7.520 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.871 1.674 -8.335 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.429 2.578 -7.476 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.344 2.113 -5.043 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.517 0.607 -5.975 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.935 1.055 -5.294 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.066 4.038 -6.004 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.658 2.979 -6.256 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.333 3.901 -7.620 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.355 2.934 -10.645 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.782 3.644 -11.824 1.00 9.77 C ATOM 1837 C ASN B 29 -16.266 3.776 -11.650 1.00 7.94 C ATOM 1838 O ASN B 29 -15.789 4.214 -10.623 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.402 5.039 -11.922 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.851 4.925 -12.396 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.217 3.968 -13.049 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.698 5.870 -12.092 1.00 12.89 N ATOM 0 H ASN B 29 -18.932 3.511 -10.032 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.998 3.080 -12.732 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.364 5.534 -10.951 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.829 5.654 -12.616 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.667 5.805 -12.403 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.391 6.673 -11.544 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.503 3.406 -12.643 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.019 3.519 -12.528 1.00 13.16 C ATOM 1851 C GLU B 30 -13.520 4.595 -13.498 1.00 12.26 C ATOM 1852 O GLU B 30 -14.223 4.996 -14.404 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.374 2.176 -12.879 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.310 1.296 -11.630 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.330 0.145 -11.866 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.894 -0.014 -12.994 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -12.033 -0.559 -10.914 1.00 38.01 O ATOM 0 H GLU B 30 -15.842 3.031 -13.529 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.751 3.792 -11.507 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.950 1.677 -13.659 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.371 2.335 -13.276 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.993 1.888 -10.771 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.300 0.903 -11.398 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.315 5.070 -13.320 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.789 6.121 -14.240 1.00 9.46 C ATOM 1866 C GLN B 31 -10.265 6.011 -14.345 1.00 10.09 C ATOM 1867 O GLN B 31 -9.653 5.131 -13.772 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.154 7.506 -13.696 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.797 8.338 -14.807 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.764 9.319 -15.362 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.926 8.947 -16.159 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.786 10.566 -14.970 1.00 12.39 N ATOM 0 H GLN B 31 -11.675 4.777 -12.581 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.231 5.981 -15.227 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.842 7.409 -12.856 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.262 8.008 -13.321 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -13.161 7.686 -15.601 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.659 8.880 -14.419 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.490 10.878 -14.301 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.099 11.227 -15.333 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.651 6.908 -15.070 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.168 6.874 -15.214 1.00 10.34 C ATOM 1883 C LEU B 32 -7.611 8.283 -14.995 1.00 9.02 C ATOM 1884 O LEU B 32 -8.315 9.264 -15.133 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.800 6.391 -16.619 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.427 5.019 -16.869 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.403 4.714 -18.369 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.628 3.950 -16.118 1.00 15.89 C ATOM 0 H LEU B 32 -10.116 7.666 -15.570 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.743 6.192 -14.477 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.152 7.104 -17.364 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.717 6.331 -16.722 1.00 10.20 H new ATOM 0 HG LEU B 32 -9.458 5.019 -16.514 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.850 3.736 -18.549 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -8.970 5.476 -18.904 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -7.372 4.713 -18.724 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.074 2.971 -16.295 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.598 3.949 -16.473 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -7.643 4.168 -15.050 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.353 8.394 -14.661 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.750 9.736 -14.436 1.00 8.10 C ATOM 1902 C CYS B 33 -4.247 9.626 -14.667 1.00 6.34 C ATOM 1903 O CYS B 33 -3.723 8.548 -14.850 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.007 10.206 -12.997 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.735 9.917 -12.541 1.00 13.84 S ATOM 0 H CYS B 33 -5.716 7.608 -14.534 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.196 10.457 -15.121 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.349 9.674 -12.310 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -5.772 11.267 -12.906 1.00 8.88 H new ATOM 0 HG CYS B 33 -8.477 9.955 -13.607 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.545 10.720 -14.659 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.077 10.653 -14.883 1.00 7.08 C ATOM 1913 C TYR B 34 -1.359 11.268 -13.682 1.00 7.71 C ATOM 1914 O TYR B 34 -1.334 12.469 -13.524 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.727 11.453 -16.131 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.958 10.623 -17.372 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.947 9.780 -17.851 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -3.168 10.727 -18.063 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -1.144 9.047 -19.020 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.368 9.988 -19.232 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.354 9.151 -19.711 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.551 8.426 -20.869 1.00 21.14 O ATOM 0 H TYR B 34 -3.922 11.656 -14.508 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.770 9.615 -15.008 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.334 12.357 -16.173 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.685 11.770 -16.087 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.014 9.698 -17.314 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -3.947 11.377 -17.694 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.363 8.400 -19.391 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.304 10.063 -19.765 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.445 8.612 -21.223 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.784 10.464 -12.829 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.090 11.031 -11.641 1.00 10.66 C ATOM 1934 C VAL B 35 1.298 11.545 -12.021 1.00 10.57 C ATOM 1935 O VAL B 35 1.872 11.162 -13.021 1.00 8.31 O ATOM 1936 CB VAL B 35 0.036 9.969 -10.547 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.017 10.456 -9.474 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.338 9.744 -9.912 1.00 9.86 C ATOM 0 H VAL B 35 -0.765 9.447 -12.903 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.682 11.866 -11.266 1.00 10.66 H new ATOM 0 HB VAL B 35 0.403 9.037 -10.978 1.00 10.22 H new ATOM 0 HG11 VAL B 35 1.108 9.700 -8.694 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.994 10.630 -9.926 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.648 11.385 -9.038 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.258 8.988 -9.131 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.696 10.678 -9.478 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.040 9.405 -10.674 1.00 9.86 H new ATOM 1948 N ASP B 36 1.835 12.411 -11.209 1.00 8.58 N ATOM 1949 CA ASP B 36 3.181 12.972 -11.471 1.00 11.48 C ATOM 1950 C ASP B 36 3.930 13.092 -10.143 1.00 12.38 C ATOM 1951 O ASP B 36 3.734 12.301 -9.242 1.00 11.89 O ATOM 1952 CB ASP B 36 3.050 14.354 -12.109 1.00 16.17 C ATOM 1953 CG ASP B 36 2.101 14.279 -13.306 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.186 13.312 -14.045 1.00 25.89 O ATOM 1955 OD2 ASP B 36 1.305 15.190 -13.464 1.00 15.67 O ATOM 0 H ASP B 36 1.387 12.757 -10.361 1.00 8.58 H new ATOM 0 HA ASP B 36 3.727 12.318 -12.150 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.673 15.069 -11.378 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.028 14.712 -12.430 1.00 16.17 H new ATOM 1960 N LEU B 37 4.783 14.072 -10.009 1.00 13.17 N ATOM 1961 CA LEU B 37 5.534 14.227 -8.732 1.00 18.47 C ATOM 1962 C LEU B 37 6.504 13.062 -8.577 1.00 21.14 C ATOM 1963 O LEU B 37 7.706 13.237 -8.531 1.00 24.24 O ATOM 1964 CB LEU B 37 4.560 14.216 -7.563 1.00 15.81 C ATOM 1965 CG LEU B 37 5.190 14.940 -6.372 1.00 20.59 C ATOM 1966 CD1 LEU B 37 6.629 14.459 -6.169 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.187 16.448 -6.637 1.00 20.01 C ATOM 0 H LEU B 37 4.991 14.768 -10.725 1.00 13.17 H new ATOM 0 HA LEU B 37 6.081 15.170 -8.746 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.627 14.703 -7.847 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.313 13.190 -7.290 1.00 15.81 H new ATOM 0 HG LEU B 37 4.613 14.723 -5.473 1.00 20.59 H new ATOM 0 HD11 LEU B 37 7.070 14.980 -5.319 1.00 14.72 H new ATOM 0 HD12 LEU B 37 6.630 13.386 -5.978 1.00 14.72 H new ATOM 0 HD13 LEU B 37 7.213 14.669 -7.065 1.00 14.72 H new ATOM 0 HD21 LEU B 37 5.635 16.967 -5.790 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.762 16.660 -7.538 1.00 20.01 H new ATOM 0 HD23 LEU B 37 4.161 16.792 -6.772 1.00 20.01 H new ATOM 1979 N GLY B 38 5.987 11.870 -8.503 1.00 20.70 N ATOM 1980 CA GLY B 38 6.863 10.682 -8.357 1.00 23.91 C ATOM 1981 C GLY B 38 7.291 10.203 -9.745 1.00 26.50 C ATOM 1982 O GLY B 38 7.676 9.066 -9.931 1.00 31.02 O ATOM 0 H GLY B 38 4.988 11.668 -8.538 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.739 10.932 -7.759 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.334 9.887 -7.831 1.00 23.91 H new ATOM 1986 N ASN B 39 7.222 11.067 -10.724 1.00 27.64 N ATOM 1987 CA ASN B 39 7.620 10.671 -12.102 1.00 30.27 C ATOM 1988 C ASN B 39 7.354 11.834 -13.061 1.00 26.79 C ATOM 1989 O ASN B 39 6.222 12.199 -13.312 1.00 26.87 O ATOM 1990 CB ASN B 39 6.809 9.449 -12.539 1.00 35.62 C ATOM 1991 CG ASN B 39 5.398 9.536 -11.955 1.00 41.31 C ATOM 1992 OD1 ASN B 39 4.646 10.433 -12.281 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.004 8.634 -11.098 1.00 39.63 N ATOM 0 H ASN B 39 6.906 12.032 -10.626 1.00 27.64 H new ATOM 0 HA ASN B 39 8.681 10.423 -12.117 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.761 9.401 -13.627 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.298 8.535 -12.201 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.065 8.682 -10.702 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.635 7.881 -10.824 1.00 39.63 H new ATOM 2000 N GLU B 40 8.391 12.423 -13.591 1.00 25.15 N ATOM 2001 CA GLU B 40 8.213 13.567 -14.527 1.00 23.81 C ATOM 2002 C GLU B 40 7.056 13.283 -15.480 1.00 21.12 C ATOM 2003 O GLU B 40 6.055 13.972 -15.488 1.00 19.86 O ATOM 2004 CB GLU B 40 9.502 13.778 -15.328 1.00 27.22 C ATOM 2005 CG GLU B 40 10.416 14.754 -14.583 1.00 34.87 C ATOM 2006 CD GLU B 40 11.878 14.400 -14.864 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.325 13.379 -14.368 1.00 39.54 O ATOM 2008 OE2 GLU B 40 12.525 15.157 -15.568 1.00 42.34 O ATOM 0 H GLU B 40 9.360 12.158 -13.414 1.00 25.15 H new ATOM 0 HA GLU B 40 7.990 14.468 -13.955 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.012 12.826 -15.473 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.267 14.168 -16.318 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.211 15.776 -14.901 1.00 34.87 H new ATOM 0 HG3 GLU B 40 10.219 14.708 -13.512 1.00 34.87 H new ATOM 2015 N HIS B 41 7.189 12.272 -16.278 1.00 6.58 N ATOM 2016 CA HIS B 41 6.100 11.925 -17.239 1.00 5.92 C ATOM 2017 C HIS B 41 4.860 11.497 -16.453 1.00 4.67 C ATOM 2018 O HIS B 41 4.969 11.043 -15.332 1.00 3.78 O ATOM 2019 CB HIS B 41 6.553 10.777 -18.147 1.00 6.41 C ATOM 2020 CG HIS B 41 7.378 9.799 -17.356 1.00 6.37 C ATOM 2021 ND1 HIS B 41 8.752 9.926 -17.229 1.00 7.30 N ATOM 2022 CD2 HIS B 41 7.038 8.675 -16.646 1.00 6.59 C ATOM 2023 CE1 HIS B 41 9.185 8.904 -16.469 1.00 8.34 C ATOM 2024 NE2 HIS B 41 8.180 8.111 -16.086 1.00 8.23 N ATOM 0 H HIS B 41 8.006 11.663 -16.312 1.00 6.58 H new ATOM 0 HA HIS B 41 5.867 12.794 -17.855 1.00 5.92 H new ATOM 0 HB2 HIS B 41 5.685 10.274 -18.573 1.00 6.41 H new ATOM 0 HB3 HIS B 41 7.136 11.168 -18.981 1.00 6.41 H new ATOM 0 HD2 HIS B 41 6.036 8.287 -16.538 1.00 6.59 H new ATOM 0 HE1 HIS B 41 10.219 8.744 -16.201 1.00 8.34 H new ATOM 0 HE2 HIS B 41 8.238 7.273 -15.508 1.00 8.23 H new ATOM 2032 N PRO B 42 3.713 11.660 -17.061 1.00 15.11 N ATOM 2033 CA PRO B 42 2.433 11.302 -16.431 1.00 16.08 C ATOM 2034 C PRO B 42 2.215 9.790 -16.498 1.00 17.92 C ATOM 2035 O PRO B 42 2.567 9.144 -17.465 1.00 17.13 O ATOM 2036 CB PRO B 42 1.396 12.030 -17.284 1.00 16.41 C ATOM 2037 CG PRO B 42 2.053 12.267 -18.658 1.00 13.79 C ATOM 2038 CD PRO B 42 3.579 12.212 -18.426 1.00 16.28 C ATOM 0 HA PRO B 42 2.383 11.577 -15.377 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.489 11.435 -17.385 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.108 12.975 -16.823 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.741 11.507 -19.374 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.757 13.232 -19.069 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.072 11.578 -19.163 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.030 13.201 -18.503 1.00 16.28 H new ATOM 2046 N VAL B 43 1.631 9.224 -15.483 1.00 16.29 N ATOM 2047 CA VAL B 43 1.385 7.759 -15.493 1.00 14.28 C ATOM 2048 C VAL B 43 -0.119 7.504 -15.480 1.00 9.00 C ATOM 2049 O VAL B 43 -0.807 7.845 -14.538 1.00 7.99 O ATOM 2050 CB VAL B 43 2.018 7.126 -14.257 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.541 7.218 -14.356 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.539 7.866 -13.005 1.00 20.57 C ATOM 0 H VAL B 43 1.313 9.713 -14.646 1.00 16.29 H new ATOM 0 HA VAL B 43 1.825 7.320 -16.389 1.00 14.28 H new ATOM 0 HB VAL B 43 1.724 6.078 -14.195 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.991 6.765 -13.472 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.880 6.690 -15.247 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.839 8.265 -14.419 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.990 7.415 -12.121 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.832 8.914 -13.067 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.454 7.796 -12.934 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.638 6.909 -16.516 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.097 6.643 -16.556 1.00 11.55 C ATOM 2064 C LEU B 44 -2.438 5.504 -15.600 1.00 10.61 C ATOM 2065 O LEU B 44 -2.224 4.344 -15.891 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.513 6.262 -17.971 1.00 10.60 C ATOM 2067 CG LEU B 44 -4.016 6.007 -17.995 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.754 7.267 -17.536 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.449 5.649 -19.419 1.00 20.21 C ATOM 0 H LEU B 44 -0.115 6.597 -17.334 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.633 7.543 -16.253 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.255 7.060 -18.667 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.975 5.371 -18.295 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.257 5.182 -17.325 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.829 7.086 -17.553 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.445 7.521 -16.522 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.515 8.093 -18.206 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.523 5.466 -19.438 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.209 6.474 -20.090 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.923 4.752 -19.745 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.972 5.832 -14.462 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.339 4.787 -13.475 1.00 9.29 C ATOM 2083 C VAL B 45 -4.855 4.645 -13.435 1.00 9.95 C ATOM 2084 O VAL B 45 -5.573 5.308 -14.157 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.816 5.189 -12.092 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.474 5.905 -12.249 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -3.813 6.129 -11.394 1.00 10.20 C ATOM 0 H VAL B 45 -3.172 6.789 -14.171 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.895 3.834 -13.763 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.693 4.291 -11.486 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.098 6.193 -11.267 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -0.759 5.237 -12.730 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.607 6.796 -12.862 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -3.427 6.405 -10.413 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.949 7.027 -11.996 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -4.771 5.622 -11.277 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.344 3.789 -12.593 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.814 3.610 -12.505 1.00 12.81 C ATOM 2099 C LYS B 46 -7.354 4.365 -11.289 1.00 13.35 C ATOM 2100 O LYS B 46 -6.650 4.600 -10.326 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.144 2.122 -12.378 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.702 1.391 -13.648 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.722 0.306 -13.996 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.447 0.681 -15.290 1.00 34.48 C ATOM 2105 NZ LYS B 46 -9.194 -0.502 -15.802 1.00 36.74 N ATOM 0 H LYS B 46 -4.793 3.206 -11.963 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.280 4.006 -13.408 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.640 1.700 -11.509 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.214 1.988 -12.222 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -6.611 2.097 -14.473 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.718 0.946 -13.500 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.221 -0.655 -14.113 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.440 0.194 -13.184 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -9.134 1.507 -15.108 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -7.729 1.022 -16.036 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.687 -0.247 -16.682 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.528 -1.278 -15.991 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.889 -0.808 -15.092 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.600 4.749 -11.328 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.190 5.489 -10.183 1.00 16.93 C ATOM 2121 C ILE B 47 -10.625 5.006 -9.953 1.00 16.52 C ATOM 2122 O ILE B 47 -11.162 4.236 -10.724 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.174 6.996 -10.490 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.130 7.785 -9.184 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.427 7.397 -11.274 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.900 8.687 -9.180 1.00 18.26 C ATOM 0 H ILE B 47 -9.235 4.580 -12.108 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.607 5.306 -9.280 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.291 7.218 -11.090 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.034 8.384 -9.077 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.097 7.103 -8.335 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.399 8.467 -11.483 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.461 6.845 -12.213 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.314 7.165 -10.685 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.866 9.252 -8.248 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.001 8.077 -9.267 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.953 9.378 -10.021 1.00 18.26 H new ATOM 2138 N THR B 48 -11.251 5.455 -8.902 1.00 16.86 N ATOM 2139 CA THR B 48 -12.650 5.024 -8.630 1.00 16.59 C ATOM 2140 C THR B 48 -13.592 6.213 -8.827 1.00 19.04 C ATOM 2141 O THR B 48 -13.244 7.346 -8.558 1.00 22.56 O ATOM 2142 CB THR B 48 -12.758 4.515 -7.190 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.460 4.438 -6.619 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.403 3.128 -7.184 1.00 16.02 C ATOM 0 H THR B 48 -10.855 6.101 -8.220 1.00 16.86 H new ATOM 0 HA THR B 48 -12.926 4.223 -9.316 1.00 16.59 H new ATOM 0 HB THR B 48 -13.372 5.201 -6.607 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.493 4.745 -5.689 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.479 2.767 -6.158 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.399 3.188 -7.623 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.791 2.440 -7.767 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.780 5.964 -9.301 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.746 7.073 -9.525 1.00 18.82 C ATOM 2154 C LEU B 49 -17.064 6.738 -8.821 1.00 20.06 C ATOM 2155 O LEU B 49 -17.629 5.680 -9.012 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.977 7.229 -11.034 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.681 8.554 -11.339 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.174 8.429 -11.024 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -16.074 9.681 -10.498 1.00 14.50 C ATOM 0 H LEU B 49 -15.125 5.035 -9.544 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.354 8.007 -9.121 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.023 7.189 -11.559 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.579 6.398 -11.403 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.549 8.788 -12.395 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -18.672 9.374 -11.242 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.610 7.639 -11.636 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.304 8.185 -9.970 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -16.583 10.618 -10.724 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -16.193 9.450 -9.439 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -15.014 9.779 -10.731 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.552 7.625 -7.997 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.826 7.351 -7.272 1.00 27.04 C ATOM 2173 C ASP B 50 -19.974 7.211 -8.273 1.00 27.73 C ATOM 2174 O ASP B 50 -20.039 7.912 -9.263 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.125 8.507 -6.315 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.478 8.228 -4.957 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.899 7.288 -4.304 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -17.571 8.959 -4.594 1.00 30.76 O ATOM 0 H ASP B 50 -17.123 8.528 -7.794 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.726 6.424 -6.708 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.743 9.441 -6.726 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.202 8.627 -6.198 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.885 6.309 -8.019 1.00 31.16 N ATOM 2184 CA GLU B 51 -22.033 6.123 -8.948 1.00 34.22 C ATOM 2185 C GLU B 51 -22.801 7.439 -9.076 1.00 34.98 C ATOM 2186 O GLU B 51 -23.245 8.007 -8.098 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.962 5.041 -8.394 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.901 4.560 -9.500 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.560 3.246 -9.076 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -24.689 3.029 -7.883 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -24.923 2.478 -9.953 1.00 54.92 O ATOM 0 H GLU B 51 -20.882 5.693 -7.206 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.666 5.821 -9.929 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.376 4.205 -8.011 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.540 5.436 -7.558 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.663 5.314 -9.698 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.345 4.418 -10.427 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.958 7.932 -10.274 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.694 9.214 -10.460 1.00 34.93 C ATOM 2200 C GLY B 52 -22.722 10.385 -10.311 1.00 36.10 C ATOM 2201 O GLY B 52 -23.013 11.499 -10.698 1.00 35.97 O ATOM 0 H GLY B 52 -22.609 7.503 -11.131 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.161 9.238 -11.444 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.495 9.296 -9.725 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.567 10.141 -9.754 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.576 11.238 -9.581 1.00 35.40 C ATOM 2207 C GLN B 53 -19.928 11.558 -10.931 1.00 31.02 C ATOM 2208 O GLN B 53 -19.858 10.710 -11.798 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.495 10.795 -8.592 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.552 11.675 -7.343 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.169 11.727 -6.692 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.993 11.282 -5.575 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.172 12.255 -7.348 1.00 54.76 N ATOM 0 H GLN B 53 -21.268 9.228 -9.411 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.080 12.126 -9.199 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.643 9.750 -8.320 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.511 10.868 -9.056 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.879 12.680 -7.608 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.283 11.278 -6.638 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.319 12.629 -8.286 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.246 12.294 -6.923 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.471 12.776 -11.065 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.817 13.247 -12.296 1.00 23.44 C ATOM 2224 C PRO B 54 -17.378 12.731 -12.366 1.00 20.14 C ATOM 2225 O PRO B 54 -16.523 13.150 -11.612 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.848 14.768 -12.164 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.992 15.069 -10.657 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.564 13.797 -10.004 1.00 28.37 C ATOM 0 HA PRO B 54 -19.309 12.897 -13.203 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -17.936 15.212 -12.564 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.681 15.190 -12.726 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.027 15.328 -10.220 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.654 15.919 -10.494 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.991 13.509 -9.122 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.595 13.944 -9.681 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.108 11.820 -13.261 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.729 11.271 -13.381 1.00 15.58 C ATOM 2238 C ALA B 55 -14.702 12.398 -13.245 1.00 16.41 C ATOM 2239 O ALA B 55 -14.965 13.535 -13.583 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.573 10.602 -14.746 1.00 13.98 C ATOM 0 H ALA B 55 -17.786 11.432 -13.916 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.562 10.541 -12.589 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.565 10.198 -14.840 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.298 9.794 -14.840 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.744 11.337 -15.533 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.532 12.088 -12.753 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.485 13.137 -12.596 1.00 14.61 C ATOM 2248 C TYR B 56 -12.425 13.977 -13.875 1.00 15.51 C ATOM 2249 O TYR B 56 -11.863 13.570 -14.870 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.126 12.472 -12.339 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.193 11.688 -11.041 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.704 10.385 -11.041 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.762 12.272 -9.845 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.782 9.666 -9.844 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.842 11.552 -8.648 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.350 10.249 -8.647 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.428 9.539 -7.467 1.00 12.03 O ATOM 0 H TYR B 56 -13.257 11.153 -12.453 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.728 13.781 -11.751 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.870 11.809 -13.166 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.343 13.228 -12.282 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.038 9.935 -11.964 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.368 13.278 -9.846 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.176 8.660 -9.843 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.511 12.003 -7.724 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.995 8.750 -7.597 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.011 15.143 -13.857 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.996 16.005 -15.073 1.00 14.95 C ATOM 2269 C ALA B 57 -11.555 16.185 -15.559 1.00 15.46 C ATOM 2270 O ALA B 57 -10.624 15.759 -14.905 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.594 17.372 -14.734 1.00 14.98 C ATOM 0 H ALA B 57 -13.500 15.536 -13.053 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.586 15.533 -15.859 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.584 18.004 -15.622 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.621 17.245 -14.391 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.004 17.842 -13.947 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.417 16.815 -16.698 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.101 17.074 -17.308 1.00 16.55 C ATOM 2279 C PRO B 58 -9.419 18.250 -16.606 1.00 16.75 C ATOM 2280 O PRO B 58 -9.872 19.375 -16.679 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.440 17.424 -18.760 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.914 17.894 -18.762 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.559 17.329 -17.483 1.00 13.96 C ATOM 0 HA PRO B 58 -9.415 16.231 -17.231 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.782 18.208 -19.135 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.307 16.559 -19.409 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.973 18.982 -18.777 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.434 17.534 -19.650 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.103 18.100 -16.937 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.273 16.538 -17.713 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.337 18.000 -15.922 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.640 19.108 -15.214 1.00 15.08 C ATOM 2293 C GLY B 59 -6.475 18.548 -14.397 1.00 14.96 C ATOM 2294 O GLY B 59 -6.228 17.360 -14.389 1.00 13.79 O ATOM 0 H GLY B 59 -7.907 17.080 -15.823 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.273 19.838 -15.935 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.338 19.630 -14.559 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.761 19.393 -13.701 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.626 18.904 -12.871 1.00 14.53 C ATOM 2300 C LEU B 60 -5.195 18.219 -11.632 1.00 14.15 C ATOM 2301 O LEU B 60 -6.229 18.607 -11.129 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.759 20.088 -12.437 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.574 20.235 -13.389 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.014 21.001 -14.639 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.450 21.004 -12.687 1.00 15.01 C ATOM 0 H LEU B 60 -5.916 20.401 -13.673 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.018 18.206 -13.446 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.351 21.003 -12.434 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.403 19.936 -11.418 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.214 19.247 -13.678 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.168 21.106 -15.318 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.814 20.454 -15.138 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.374 21.989 -14.352 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.603 21.110 -13.365 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.810 21.992 -12.399 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.136 20.458 -11.797 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.546 17.205 -11.133 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.089 16.521 -9.933 1.00 9.57 C ATOM 2319 C TYR B 61 -3.991 16.238 -8.926 1.00 11.76 C ATOM 2320 O TYR B 61 -2.817 16.300 -9.214 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.741 15.202 -10.336 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.141 15.475 -10.801 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.357 15.989 -12.079 1.00 10.26 C ATOM 2324 CD2 TYR B 61 -8.220 15.229 -9.945 1.00 10.68 C ATOM 2325 CE1 TYR B 61 -8.656 16.259 -12.509 1.00 13.99 C ATOM 2326 CE2 TYR B 61 -9.522 15.497 -10.375 1.00 13.03 C ATOM 2327 CZ TYR B 61 -9.737 16.013 -11.657 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.021 16.279 -12.090 1.00 14.61 O ATOM 0 H TYR B 61 -3.673 16.825 -11.500 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.828 17.180 -9.477 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.166 14.724 -11.130 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.752 14.513 -9.491 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.520 16.178 -12.735 1.00 10.26 H new ATOM 0 HD2 TYR B 61 -8.047 14.833 -8.955 1.00 10.68 H new ATOM 0 HE1 TYR B 61 -8.827 16.657 -13.498 1.00 13.99 H new ATOM 0 HE2 TYR B 61 -10.359 15.306 -9.720 1.00 13.03 H new ATOM 0 HH TYR B 61 -11.037 16.304 -13.070 1.00 14.61 H new ATOM 2338 N THR B 62 -4.393 15.905 -7.744 1.00 12.22 N ATOM 2339 CA THR B 62 -3.433 15.571 -6.676 1.00 14.26 C ATOM 2340 C THR B 62 -4.128 14.555 -5.795 1.00 15.40 C ATOM 2341 O THR B 62 -5.212 14.793 -5.302 1.00 16.24 O ATOM 2342 CB THR B 62 -3.086 16.814 -5.866 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.220 17.220 -5.112 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.669 17.932 -6.816 1.00 11.61 C ATOM 0 H THR B 62 -5.373 15.849 -7.467 1.00 12.22 H new ATOM 0 HA THR B 62 -2.502 15.180 -7.087 1.00 14.26 H new ATOM 0 HB THR B 62 -2.264 16.592 -5.185 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.625 16.437 -4.683 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.420 18.824 -6.241 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.798 17.615 -7.391 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.490 18.157 -7.496 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.551 13.417 -5.612 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.243 12.406 -4.785 1.00 15.17 C ATOM 2354 C VAL B 63 -4.588 13.029 -3.438 1.00 14.24 C ATOM 2355 O VAL B 63 -4.058 14.056 -3.061 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.374 11.170 -4.598 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.278 9.965 -4.349 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.539 10.924 -5.860 1.00 18.64 C ATOM 0 H VAL B 63 -2.645 13.141 -5.990 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.157 12.090 -5.288 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.705 11.319 -3.751 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.666 9.073 -4.213 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.874 10.136 -3.452 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.940 9.824 -5.203 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.920 10.038 -5.719 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.202 10.771 -6.711 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.900 11.787 -6.048 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.483 12.427 -2.719 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.881 12.991 -1.402 1.00 10.78 C ATOM 2370 C HIS B 64 -5.695 11.923 -0.325 1.00 14.19 C ATOM 2371 O HIS B 64 -6.180 10.812 -0.453 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.351 13.419 -1.455 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.611 14.494 -0.431 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -6.986 14.509 0.806 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.439 15.589 -0.443 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.445 15.574 1.482 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.334 16.270 0.768 1.00 20.65 N ATOM 0 H HIS B 64 -5.960 11.565 -2.984 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.262 13.858 -1.168 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.596 13.787 -2.451 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -7.996 12.561 -1.265 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.075 15.879 -1.266 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.133 15.836 2.482 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -8.829 17.117 1.049 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.000 12.247 0.736 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.786 11.250 1.816 1.00 14.44 C ATOM 2387 C LEU B 65 -6.082 11.035 2.598 1.00 12.66 C ATOM 2388 O LEU B 65 -6.118 10.271 3.541 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.693 11.735 2.766 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.225 12.876 3.607 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.223 12.463 5.079 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.340 14.101 3.406 1.00 19.03 C ATOM 0 H LEU B 65 -4.574 13.160 0.897 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.479 10.307 1.364 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.366 10.918 3.408 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.822 12.063 2.198 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.245 13.117 3.306 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.606 13.283 5.687 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.857 11.586 5.212 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.205 12.225 5.389 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.718 14.926 4.009 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.320 13.867 3.710 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.348 14.387 2.354 1.00 19.03 H new ATOM 2404 N SER B 66 -7.160 11.667 2.208 1.00 13.51 N ATOM 2405 CA SER B 66 -8.431 11.435 2.937 1.00 10.39 C ATOM 2406 C SER B 66 -8.698 9.931 2.907 1.00 8.56 C ATOM 2407 O SER B 66 -9.446 9.395 3.699 1.00 11.70 O ATOM 2408 CB SER B 66 -9.571 12.176 2.236 1.00 12.88 C ATOM 2409 OG SER B 66 -10.778 11.444 2.400 1.00 14.72 O ATOM 0 H SER B 66 -7.210 12.323 1.428 1.00 13.51 H new ATOM 0 HA SER B 66 -8.364 11.799 3.962 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.680 13.177 2.653 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.345 12.295 1.176 1.00 12.88 H new ATOM 0 HG SER B 66 -11.511 11.917 1.953 1.00 14.72 H new ATOM 2415 N SER B 67 -8.074 9.254 1.977 1.00 7.98 N ATOM 2416 CA SER B 67 -8.254 7.786 1.847 1.00 8.20 C ATOM 2417 C SER B 67 -7.119 7.046 2.568 1.00 11.02 C ATOM 2418 O SER B 67 -7.143 5.839 2.699 1.00 11.45 O ATOM 2419 CB SER B 67 -8.230 7.412 0.366 1.00 8.01 C ATOM 2420 OG SER B 67 -9.218 8.168 -0.321 1.00 11.22 O ATOM 0 H SER B 67 -7.439 9.667 1.294 1.00 7.98 H new ATOM 0 HA SER B 67 -9.206 7.502 2.295 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.245 7.610 -0.056 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.421 6.346 0.244 1.00 8.01 H new ATOM 0 HG SER B 67 -9.551 7.653 -1.086 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.114 7.753 3.018 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.974 7.076 3.703 1.00 11.79 C ATOM 2428 C PHE B 68 -5.353 6.764 5.152 1.00 12.69 C ATOM 2429 O PHE B 68 -6.274 7.333 5.703 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.743 7.993 3.688 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.432 8.450 2.278 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.194 8.003 1.186 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.395 9.368 2.073 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.916 8.477 -0.099 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.116 9.835 0.786 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.878 9.392 -0.297 1.00 11.87 C ATOM 0 H PHE B 68 -6.034 8.767 2.941 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.744 6.148 3.179 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.921 8.859 4.325 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.884 7.464 4.102 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.994 7.294 1.339 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.810 9.716 2.911 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.503 8.136 -0.939 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.311 10.538 0.629 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.665 9.757 -1.291 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.640 5.864 5.772 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.940 5.508 7.187 1.00 15.38 C ATOM 2448 C LYS B 69 -3.764 4.723 7.766 1.00 15.02 C ATOM 2449 O LYS B 69 -2.825 4.390 7.071 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.205 4.650 7.247 1.00 16.04 C ATOM 2451 CG LYS B 69 -6.155 3.583 6.151 1.00 20.35 C ATOM 2452 CD LYS B 69 -7.389 2.686 6.254 1.00 21.35 C ATOM 2453 CE LYS B 69 -7.136 1.582 7.283 1.00 30.24 C ATOM 2454 NZ LYS B 69 -7.087 2.177 8.649 1.00 32.70 N ATOM 0 H LYS B 69 -3.858 5.357 5.356 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.097 6.418 7.766 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.289 4.177 8.225 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.088 5.276 7.119 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.117 4.056 5.170 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.249 2.986 6.252 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.257 3.277 6.546 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.614 2.247 5.282 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -7.926 0.832 7.229 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -6.198 1.073 7.063 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -7.420 1.479 9.344 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -6.109 2.450 8.874 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -7.698 3.018 8.683 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.804 4.423 9.034 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.682 3.659 9.653 1.00 13.49 C ATOM 2470 C VAL B 70 -3.078 2.187 9.778 1.00 11.85 C ATOM 2471 O VAL B 70 -3.852 1.811 10.636 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.357 4.213 11.043 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.842 4.384 11.179 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.043 5.568 11.252 1.00 15.63 C ATOM 0 H VAL B 70 -4.563 4.673 9.668 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.801 3.757 9.019 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.721 3.514 11.796 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.608 4.778 12.168 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.354 3.418 11.048 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.484 5.077 10.418 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.802 5.948 12.245 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.693 6.273 10.498 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.123 5.447 11.162 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.551 1.350 8.928 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.892 -0.100 8.994 1.00 11.07 C ATOM 2486 C GLY B 71 -2.064 -0.773 10.091 1.00 12.15 C ATOM 2487 O GLY B 71 -1.439 -0.116 10.900 1.00 12.70 O ATOM 0 H GLY B 71 -1.897 1.608 8.189 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.955 -0.225 9.199 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.695 -0.574 8.033 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.053 -2.080 10.129 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.266 -2.786 11.177 1.00 19.42 C ATOM 2493 C GLN B 72 0.154 -3.039 10.677 1.00 16.97 C ATOM 2494 O GLN B 72 0.843 -3.924 11.146 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.932 -4.115 11.514 1.00 22.64 C ATOM 2496 CG GLN B 72 -2.129 -4.905 10.228 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.263 -6.166 10.261 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.747 -7.243 10.546 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.008 -6.075 9.978 1.00 25.15 N ATOM 0 H GLN B 72 -2.555 -2.686 9.480 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.227 -2.164 12.071 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.315 -4.680 12.213 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.891 -3.943 12.002 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.179 -5.176 10.113 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.862 -4.291 9.368 1.00 25.29 H new ATOM 0 HE21 GLN B 72 0.414 -5.170 9.739 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.595 -6.909 9.996 1.00 25.15 H new ATOM 2508 N PHE B 73 0.594 -2.266 9.731 1.00 14.56 N ATOM 2509 CA PHE B 73 1.969 -2.448 9.191 1.00 14.60 C ATOM 2510 C PHE B 73 2.936 -1.524 9.935 1.00 15.63 C ATOM 2511 O PHE B 73 4.140 -1.663 9.839 1.00 17.80 O ATOM 2512 CB PHE B 73 1.975 -2.099 7.702 1.00 12.63 C ATOM 2513 CG PHE B 73 3.376 -2.239 7.160 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.001 -3.492 7.154 1.00 16.27 C ATOM 2515 CD2 PHE B 73 4.050 -1.118 6.663 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.301 -3.623 6.651 1.00 20.44 C ATOM 2517 CE2 PHE B 73 5.350 -1.249 6.160 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.975 -2.501 6.154 1.00 17.88 C ATOM 0 H PHE B 73 0.059 -1.510 9.304 1.00 14.56 H new ATOM 0 HA PHE B 73 2.282 -3.483 9.326 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.296 -2.758 7.160 1.00 12.63 H new ATOM 0 HB3 PHE B 73 1.616 -1.080 7.555 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.480 -4.357 7.537 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.567 -0.152 6.667 1.00 19.79 H new ATOM 0 HE1 PHE B 73 5.784 -4.589 6.646 1.00 20.44 H new ATOM 0 HE2 PHE B 73 5.870 -0.384 5.777 1.00 18.68 H new ATOM 0 HZ PHE B 73 6.978 -2.602 5.766 1.00 17.88 H new ATOM 2528 N GLY B 74 2.421 -0.580 10.676 1.00 13.82 N ATOM 2529 CA GLY B 74 3.312 0.350 11.424 1.00 13.44 C ATOM 2530 C GLY B 74 3.688 1.531 10.527 1.00 10.42 C ATOM 2531 O GLY B 74 4.844 1.877 10.393 1.00 13.62 O ATOM 0 H GLY B 74 1.422 -0.413 10.795 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.809 0.708 12.322 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.211 -0.174 11.749 1.00 13.44 H new ATOM 2535 N SER B 75 2.719 2.153 9.910 1.00 12.64 N ATOM 2536 CA SER B 75 3.026 3.311 9.022 1.00 12.47 C ATOM 2537 C SER B 75 1.765 3.720 8.258 1.00 12.47 C ATOM 2538 O SER B 75 0.748 3.058 8.316 1.00 11.32 O ATOM 2539 CB SER B 75 4.118 2.915 8.029 1.00 11.21 C ATOM 2540 OG SER B 75 5.245 3.763 8.208 1.00 18.27 O ATOM 0 H SER B 75 1.731 1.910 9.982 1.00 12.64 H new ATOM 0 HA SER B 75 3.370 4.150 9.627 1.00 12.47 H new ATOM 0 HB2 SER B 75 4.404 1.874 8.181 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.745 2.997 7.008 1.00 11.21 H new ATOM 0 HG SER B 75 5.487 3.789 9.157 1.00 18.27 H new ATOM 2546 N LEU B 76 1.825 4.810 7.541 1.00 12.43 N ATOM 2547 CA LEU B 76 0.632 5.266 6.774 1.00 12.18 C ATOM 2548 C LEU B 76 0.480 4.420 5.507 1.00 12.07 C ATOM 2549 O LEU B 76 1.447 3.939 4.950 1.00 9.82 O ATOM 2550 CB LEU B 76 0.807 6.737 6.387 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.547 7.322 5.980 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -1.427 7.485 7.222 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.333 8.688 5.323 1.00 7.80 C ATOM 0 H LEU B 76 2.650 5.404 7.454 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.259 5.154 7.392 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.220 7.298 7.225 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.516 6.826 5.564 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.037 6.651 5.274 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -2.392 7.902 6.932 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -1.578 6.513 7.691 1.00 9.28 H new ATOM 0 HD13 LEU B 76 -0.939 8.157 7.928 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.296 9.107 5.032 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.156 9.359 6.029 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.294 8.572 4.439 1.00 7.80 H new ATOM 2565 N MET B 77 -0.728 4.236 5.048 1.00 14.08 N ATOM 2566 CA MET B 77 -0.947 3.423 3.819 1.00 14.12 C ATOM 2567 C MET B 77 -2.265 3.836 3.162 1.00 11.37 C ATOM 2568 O MET B 77 -3.273 4.002 3.821 1.00 11.44 O ATOM 2569 CB MET B 77 -1.007 1.940 4.190 1.00 16.48 C ATOM 2570 CG MET B 77 0.036 1.639 5.268 1.00 24.75 C ATOM 2571 SD MET B 77 -0.028 -0.117 5.697 1.00 35.11 S ATOM 2572 CE MET B 77 1.468 -0.620 4.811 1.00 33.86 C ATOM 0 H MET B 77 -1.574 4.615 5.473 1.00 14.08 H new ATOM 0 HA MET B 77 -0.125 3.591 3.123 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.003 1.685 4.552 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.821 1.326 3.309 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.031 1.900 4.909 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.154 2.247 6.152 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.705 -1.655 5.056 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.303 -0.529 3.737 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.298 0.022 5.106 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.266 4.006 1.869 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.521 4.412 1.171 1.00 11.62 C ATOM 2584 C ILE B 78 -4.556 3.288 1.253 1.00 11.45 C ATOM 2585 O ILE B 78 -4.238 2.121 1.131 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.234 4.687 -0.305 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.407 5.966 -0.451 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.556 4.844 -1.065 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -1.046 5.624 -1.058 1.00 13.67 C ATOM 0 H ILE B 78 -1.454 3.882 1.265 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.904 5.311 1.654 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.671 3.850 -0.718 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.931 6.681 -1.085 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.275 6.440 0.522 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.350 5.040 -2.117 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.139 3.927 -0.974 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.121 5.676 -0.645 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.455 6.534 -1.163 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.522 4.925 -0.406 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.189 5.169 -2.038 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.796 3.642 1.419 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.877 2.616 1.465 1.00 14.79 C ATOM 2603 C ASP B 79 -7.669 2.721 0.164 1.00 15.20 C ATOM 2604 O ASP B 79 -8.027 1.738 -0.454 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.799 2.885 2.657 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.363 1.561 3.175 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.604 0.802 3.756 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.545 1.327 2.983 1.00 21.87 O ATOM 0 H ASP B 79 -6.113 4.606 1.526 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.453 1.618 1.577 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.248 3.393 3.449 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.612 3.547 2.359 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.907 3.926 -0.259 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.638 4.175 -1.531 1.00 17.14 C ATOM 2615 C ARG B 80 -8.380 5.625 -1.920 1.00 14.98 C ATOM 2616 O ARG B 80 -9.256 6.465 -1.891 1.00 16.47 O ATOM 2617 CB ARG B 80 -10.137 3.933 -1.340 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.890 4.370 -2.598 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.860 3.266 -3.022 1.00 28.43 C ATOM 2620 NE ARG B 80 -13.233 3.602 -2.549 1.00 33.10 N ATOM 2621 CZ ARG B 80 -14.268 2.973 -3.040 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -14.105 2.048 -3.948 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.468 3.271 -2.622 1.00 35.04 N ATOM 0 H ARG B 80 -7.619 4.771 0.235 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.294 3.498 -2.313 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.323 2.878 -1.140 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.499 4.490 -0.475 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.436 5.294 -2.406 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.185 4.578 -3.403 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.854 3.159 -4.107 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.544 2.310 -2.605 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.365 4.324 -1.841 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -13.168 1.815 -4.276 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.915 1.559 -4.329 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.597 3.994 -1.914 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -16.277 2.781 -3.004 1.00 35.04 H new ATOM 2637 N LEU B 81 -7.153 5.901 -2.244 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.715 7.276 -2.609 1.00 11.27 C ATOM 2639 C LEU B 81 -7.855 8.099 -3.226 1.00 15.61 C ATOM 2640 O LEU B 81 -8.400 7.762 -4.258 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.527 7.166 -3.569 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.997 7.216 -5.019 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.778 7.188 -5.943 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.880 5.994 -5.301 1.00 18.72 C ATOM 0 H LEU B 81 -6.407 5.206 -2.272 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.414 7.806 -1.705 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.825 7.979 -3.381 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.992 6.234 -3.387 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.567 8.129 -5.194 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.108 7.224 -6.981 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.143 8.049 -5.734 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.213 6.271 -5.773 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.220 6.022 -6.336 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.305 5.083 -5.133 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.743 6.007 -4.635 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.201 9.193 -2.600 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.281 10.061 -3.147 1.00 12.72 C ATOM 2658 C ARG B 82 -8.635 11.134 -4.026 1.00 13.33 C ATOM 2659 O ARG B 82 -8.084 12.099 -3.538 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.037 10.727 -1.996 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.372 10.012 -1.779 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.325 10.346 -2.928 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.508 9.143 -3.788 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.492 9.093 -4.645 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.325 10.093 -4.749 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.643 8.039 -5.399 1.00 16.89 N ATOM 0 H ARG B 82 -7.780 9.522 -1.731 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.982 9.466 -3.732 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.440 10.689 -1.085 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.209 11.780 -2.221 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.215 8.935 -1.725 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.810 10.318 -0.829 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -13.287 10.674 -2.533 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.925 11.171 -3.518 1.00 16.62 H new ATOM 0 HE ARG B 82 -11.863 8.357 -3.707 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -14.208 10.917 -4.160 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.092 10.050 -5.420 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -12.993 7.257 -5.318 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.411 7.997 -6.069 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.673 10.961 -5.318 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.032 11.962 -6.221 1.00 13.86 C ATOM 2682 C LEU B 83 -8.822 13.269 -6.234 1.00 13.02 C ATOM 2683 O LEU B 83 -10.032 13.287 -6.131 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.968 11.413 -7.645 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.538 11.510 -8.182 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.554 11.285 -9.697 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -5.975 12.902 -7.884 1.00 10.58 C ATOM 0 H LEU B 83 -9.118 10.173 -5.788 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.026 12.156 -5.848 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.300 10.375 -7.658 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.646 11.973 -8.290 1.00 9.93 H new ATOM 0 HG LEU B 83 -5.915 10.755 -7.703 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.538 11.353 -10.086 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.960 10.297 -9.914 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.175 12.045 -10.171 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -4.957 12.972 -8.266 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.596 13.657 -8.366 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -5.971 13.070 -6.807 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.128 14.364 -6.373 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.790 15.687 -6.412 1.00 12.86 C ATOM 2701 C VAL B 84 -8.003 16.591 -7.368 1.00 14.98 C ATOM 2702 O VAL B 84 -6.813 16.415 -7.535 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.772 16.284 -5.008 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.703 15.481 -4.097 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.346 16.234 -4.453 1.00 17.34 C ATOM 0 H VAL B 84 -7.112 14.393 -6.462 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.821 15.595 -6.754 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.111 17.319 -5.049 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.689 15.909 -3.095 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.718 15.516 -4.492 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.366 14.445 -4.054 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.331 16.660 -3.450 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.007 15.199 -4.413 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.683 16.808 -5.101 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.681 17.541 -7.959 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.052 18.493 -8.890 1.00 22.41 C ATOM 2717 C PRO B 85 -7.030 19.370 -8.155 1.00 25.70 C ATOM 2718 O PRO B 85 -7.210 19.718 -7.005 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.227 19.299 -9.445 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.372 19.119 -8.437 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.118 17.768 -7.747 1.00 20.63 C ATOM 0 HA PRO B 85 -7.487 18.011 -9.688 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.963 20.351 -9.553 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.516 18.940 -10.433 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.385 19.932 -7.711 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.339 19.125 -8.939 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.366 17.806 -6.686 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.720 16.973 -8.187 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.949 19.714 -8.807 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.904 20.549 -8.146 1.00 39.94 C ATOM 2731 C ALA B 86 -5.376 22.002 -8.077 1.00 46.96 C ATOM 2732 O ALA B 86 -5.643 22.627 -9.084 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.606 20.470 -8.955 1.00 39.70 C ATOM 0 H ALA B 86 -5.745 19.451 -9.771 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.728 20.179 -7.136 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.840 21.079 -8.475 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.269 19.434 -9.002 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.784 20.840 -9.965 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.482 22.546 -6.896 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.938 23.958 -6.764 1.00 55.12 C ATOM 2741 C LYS B 87 -4.907 24.754 -5.961 1.00 55.82 C ATOM 2742 O LYS B 87 -4.431 24.234 -4.965 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.286 23.993 -6.040 1.00 52.96 C ATOM 2744 CG LYS B 87 -8.191 22.888 -6.590 1.00 55.49 C ATOM 2745 CD LYS B 87 -9.433 22.757 -5.706 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.643 23.343 -6.435 1.00 58.91 C ATOM 2747 NZ LYS B 87 -11.747 22.342 -6.446 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.611 25.870 -6.355 1.00 57.66 O ATOM 0 H LYS B 87 -5.272 22.073 -6.017 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.046 24.399 -7.755 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.139 23.857 -4.969 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.759 24.966 -6.176 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -8.484 23.119 -7.614 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.651 21.942 -6.619 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.612 21.709 -5.466 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -9.277 23.278 -4.762 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -10.971 24.257 -5.941 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.371 23.612 -7.456 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -12.655 22.828 -6.588 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -11.593 21.664 -7.219 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -11.764 21.834 -5.538 1.00 58.16 H new