USER MOD reduce.3.24.130724 H: found=0, std=0, add=1260, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1257 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 48 LYS NZ :NH3+ -150:sc= 0.942 (180deg=-0.805!) USER MOD Set 1.2: B 59 TYR OH : rot 53:sc= 1.7 USER MOD Set 2.1: B 7 THR OG1 : rot 180:sc= 0.391 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.0808 USER MOD Set 3.1: A 60 ASN : amide:sc= 0.248 K(o=0.76,f=-1.7!) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.512 K(o=0.76,f=-0.49) USER MOD Set 4.1: A 55 THR OG1 : rot -69:sc= 1.22 USER MOD Set 4.2: A 57 SER OG : rot -90:sc= 0.75 USER MOD Set 5.1: A 7 THR OG1 : rot 68:sc= 1.29 USER MOD Set 5.2: A 9 THR OG1 : rot -69:sc= 0.542 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.43 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.74 (180deg=1.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.0293 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 154:sc= 1.35 USER MOD Single : A 25 ASN : amide:sc= 0.837 K(o=0.84,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 0.951 (180deg=-0.519!) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= 1.01 (180deg=0.655) USER MOD Single : A 31 GLN : amide:sc= -0.0847 K(o=-0.085,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 0.992 (180deg=0.703) USER MOD Single : A 40 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.55) USER MOD Single : A 41 GLN : amide:sc= -0.988 K(o=-0.99,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Single : A 49 GLN : amide:sc= -0.917 K(o=-0.92,f=-3.9!) USER MOD Single : A 59 TYR OH : rot 17:sc= 1.29 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.0706 (180deg=-0.492) USER MOD Single : A 65 SER OG : rot 74:sc= 0.617 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -173:sc=-0.00237 (180deg=-0.0537) USER MOD Single : B 1 MET N :NH3+ 173:sc= 2.35 (180deg=2.13) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -115:sc= 1.09 (180deg=0.579) USER MOD Single : B 12 THR OG1 : rot 180:sc= -1.26 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -81:sc= 0.0515 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.19 USER MOD Single : B 25 ASN : amide:sc= 0.963 K(o=0.96,f=-1.4!) USER MOD Single : B 27 LYS NZ :NH3+ -178:sc= 2.27 (180deg=2.17) USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.538) USER MOD Single : B 31 GLN : amide:sc= -0.821 K(o=-0.82,f=-1.9) USER MOD Single : B 33 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.485) USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 41 GLN : amide:sc= -0.114 K(o=-0.11,f=-6.6!) USER MOD Single : B 49 GLN : amide:sc= -4.29! C(o=-4.3!,f=-4.7!) USER MOD Single : B 55 THR OG1 : rot 180:sc= -2.07! USER MOD Single : B 57 SER OG : rot -89:sc= 0.208 USER MOD Single : B 60 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4!) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 63 LYS NZ :NH3+ -138:sc= 1.26 (180deg=1.15) USER MOD Single : B 65 SER OG : rot 86:sc= 0.566 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 0.507 K(o=0.51,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.913 23.024 7.769 1.00 0.86 N ATOM 2 CA MET A 1 -4.216 22.333 7.839 1.00 0.85 C ATOM 3 C MET A 1 -4.040 20.956 8.461 1.00 0.82 C ATOM 4 O MET A 1 -3.059 20.261 8.191 1.00 0.77 O ATOM 5 CB MET A 1 -4.859 22.218 6.445 1.00 0.81 C ATOM 6 CG MET A 1 -4.074 21.371 5.453 1.00 0.73 C ATOM 7 SD MET A 1 -4.892 21.253 3.848 1.00 0.79 S ATOM 8 CE MET A 1 -3.786 20.146 2.975 1.00 0.71 C ATOM 0 H1 MET A 1 -2.991 23.849 7.140 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.636 23.339 8.720 1.00 0.86 H new ATOM 0 H3 MET A 1 -2.194 22.372 7.397 1.00 0.86 H new ATOM 0 HA MET A 1 -4.885 22.923 8.466 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.858 21.795 6.554 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.980 23.219 6.032 1.00 0.81 H new ATOM 0 HG2 MET A 1 -3.080 21.799 5.320 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.938 20.370 5.862 1.00 0.73 H new ATOM 0 HE1 MET A 1 -4.161 19.978 1.966 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.792 20.591 2.923 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.731 19.195 3.504 1.00 0.71 H new ATOM 20 N GLN A 2 -4.987 20.574 9.299 1.00 0.85 N ATOM 21 CA GLN A 2 -4.941 19.291 9.980 1.00 0.84 C ATOM 22 C GLN A 2 -5.412 18.167 9.061 1.00 0.75 C ATOM 23 O GLN A 2 -6.294 18.366 8.225 1.00 0.76 O ATOM 24 CB GLN A 2 -5.813 19.358 11.237 1.00 0.95 C ATOM 25 CG GLN A 2 -5.994 18.031 11.950 1.00 1.04 C ATOM 26 CD GLN A 2 -6.707 18.190 13.275 1.00 1.15 C ATOM 27 OE1 GLN A 2 -6.075 18.326 14.321 1.00 1.32 O ATOM 28 NE2 GLN A 2 -8.029 18.189 13.241 1.00 1.48 N ATOM 0 H GLN A 2 -5.805 21.140 9.526 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.911 19.076 10.263 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -5.372 20.072 11.932 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.794 19.745 10.963 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -6.561 17.352 11.313 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -5.019 17.573 12.116 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -8.516 18.073 12.352 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -8.561 18.304 14.103 1.00 1.48 H new ATOM 37 N ILE A 3 -4.813 16.995 9.229 1.00 0.67 N ATOM 38 CA ILE A 3 -5.153 15.814 8.443 1.00 0.59 C ATOM 39 C ILE A 3 -5.051 14.581 9.329 1.00 0.56 C ATOM 40 O ILE A 3 -4.394 14.620 10.373 1.00 0.59 O ATOM 41 CB ILE A 3 -4.237 15.609 7.214 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.764 15.624 7.631 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.513 16.659 6.148 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.856 14.886 6.673 1.00 0.44 C ATOM 0 H ILE A 3 -4.076 16.835 9.916 1.00 0.67 H new ATOM 0 HA ILE A 3 -6.167 15.965 8.072 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.458 14.632 6.784 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.429 16.658 7.713 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.671 15.180 8.622 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.856 16.492 5.295 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.552 16.586 5.826 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -4.329 17.652 6.559 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.828 14.939 7.032 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -2.165 13.843 6.609 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.919 15.344 5.686 1.00 0.44 H new ATOM 56 N PHE A 4 -5.686 13.497 8.918 1.00 0.54 N ATOM 57 CA PHE A 4 -5.660 12.267 9.693 1.00 0.55 C ATOM 58 C PHE A 4 -5.182 11.100 8.844 1.00 0.53 C ATOM 59 O PHE A 4 -5.872 10.662 7.925 1.00 0.56 O ATOM 60 CB PHE A 4 -7.049 11.962 10.256 1.00 0.59 C ATOM 61 CG PHE A 4 -7.510 12.950 11.288 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.114 12.827 12.609 1.00 0.79 C ATOM 63 CD2 PHE A 4 -8.343 14.001 10.937 1.00 0.96 C ATOM 64 CE1 PHE A 4 -7.539 13.733 13.561 1.00 0.98 C ATOM 65 CE2 PHE A 4 -8.770 14.910 11.885 1.00 1.11 C ATOM 66 CZ PHE A 4 -8.368 14.775 13.198 1.00 1.08 C ATOM 0 H PHE A 4 -6.225 13.443 8.054 1.00 0.54 H new ATOM 0 HA PHE A 4 -4.962 12.405 10.519 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.768 11.943 9.437 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.042 10.965 10.697 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -6.465 12.013 12.898 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -8.662 14.110 9.911 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -7.223 13.626 14.588 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -9.418 15.725 11.599 1.00 1.11 H new ATOM 0 HZ PHE A 4 -8.702 15.484 13.941 1.00 1.08 H new ATOM 76 N VAL A 5 -3.993 10.606 9.143 1.00 0.53 N ATOM 77 CA VAL A 5 -3.435 9.475 8.419 1.00 0.54 C ATOM 78 C VAL A 5 -3.644 8.209 9.239 1.00 0.57 C ATOM 79 O VAL A 5 -3.011 8.027 10.279 1.00 0.62 O ATOM 80 CB VAL A 5 -1.929 9.665 8.141 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.415 8.595 7.191 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.652 11.054 7.586 1.00 0.49 C ATOM 0 H VAL A 5 -3.394 10.971 9.883 1.00 0.53 H new ATOM 0 HA VAL A 5 -3.945 9.397 7.459 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.397 9.564 9.087 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.351 8.750 7.010 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.568 7.611 7.634 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -1.956 8.656 6.247 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.584 11.164 7.398 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.200 11.189 6.654 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -1.973 11.805 8.308 1.00 0.49 H new ATOM 92 N LYS A 6 -4.553 7.355 8.794 1.00 0.58 N ATOM 93 CA LYS A 6 -4.858 6.126 9.511 1.00 0.61 C ATOM 94 C LYS A 6 -4.332 4.894 8.784 1.00 0.57 C ATOM 95 O LYS A 6 -4.455 4.773 7.561 1.00 0.56 O ATOM 96 CB LYS A 6 -6.372 5.996 9.691 1.00 0.68 C ATOM 97 CG LYS A 6 -7.000 7.163 10.432 1.00 0.70 C ATOM 98 CD LYS A 6 -8.520 7.092 10.416 1.00 0.83 C ATOM 99 CE LYS A 6 -9.132 8.243 11.201 1.00 1.43 C ATOM 100 NZ LYS A 6 -10.616 8.286 11.078 1.00 1.82 N ATOM 0 H LYS A 6 -5.093 7.490 7.939 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.363 6.181 10.481 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -6.839 5.906 8.710 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.587 5.075 10.233 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.648 7.170 11.463 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -6.675 8.099 9.977 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -8.877 7.120 9.387 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.847 6.143 10.842 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -8.859 8.148 12.252 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -8.713 9.185 10.847 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -10.987 9.086 11.629 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -10.878 8.403 10.078 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -11.020 7.399 11.440 1.00 1.82 H new ATOM 114 N THR A 7 -3.738 3.990 9.545 1.00 0.59 N ATOM 115 CA THR A 7 -3.226 2.748 9.002 1.00 0.58 C ATOM 116 C THR A 7 -4.157 1.604 9.398 1.00 0.61 C ATOM 117 O THR A 7 -4.879 1.704 10.394 1.00 0.67 O ATOM 118 CB THR A 7 -1.790 2.455 9.491 1.00 0.60 C ATOM 119 OG1 THR A 7 -1.306 1.246 8.890 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.731 2.327 11.005 1.00 0.94 C ATOM 0 H THR A 7 -3.599 4.097 10.550 1.00 0.59 H new ATOM 0 HA THR A 7 -3.188 2.841 7.917 1.00 0.58 H new ATOM 0 HB THR A 7 -1.161 3.294 9.195 1.00 0.60 H new ATOM 0 HG1 THR A 7 -1.185 1.385 7.928 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.706 2.121 11.313 1.00 0.94 H new ATOM 0 HG22 THR A 7 -2.067 3.258 11.462 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.378 1.510 11.327 1.00 0.94 H new ATOM 128 N LEU A 8 -4.137 0.517 8.632 1.00 0.63 N ATOM 129 CA LEU A 8 -5.001 -0.629 8.910 1.00 0.69 C ATOM 130 C LEU A 8 -4.553 -1.365 10.170 1.00 0.72 C ATOM 131 O LEU A 8 -5.255 -2.245 10.666 1.00 0.82 O ATOM 132 CB LEU A 8 -5.039 -1.598 7.722 1.00 0.78 C ATOM 133 CG LEU A 8 -5.870 -1.147 6.511 1.00 0.95 C ATOM 134 CD1 LEU A 8 -7.173 -0.498 6.955 1.00 1.58 C ATOM 135 CD2 LEU A 8 -5.071 -0.197 5.630 1.00 1.89 C ATOM 0 H LEU A 8 -3.535 0.404 7.817 1.00 0.63 H new ATOM 0 HA LEU A 8 -6.007 -0.243 9.073 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -4.016 -1.775 7.390 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -5.431 -2.554 8.071 1.00 0.78 H new ATOM 0 HG LEU A 8 -6.115 -2.033 5.925 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -7.742 -0.188 6.079 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -7.758 -1.214 7.533 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -6.954 0.373 7.572 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -5.680 0.109 4.779 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -4.787 0.683 6.208 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -4.174 -0.701 5.272 1.00 1.89 H new ATOM 147 N THR A 9 -3.382 -1.006 10.683 1.00 0.67 N ATOM 148 CA THR A 9 -2.863 -1.615 11.897 1.00 0.72 C ATOM 149 C THR A 9 -3.647 -1.117 13.110 1.00 0.79 C ATOM 150 O THR A 9 -3.648 -1.742 14.171 1.00 0.93 O ATOM 151 CB THR A 9 -1.372 -1.285 12.080 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.732 -1.248 10.799 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.687 -2.318 12.960 1.00 0.80 C ATOM 0 H THR A 9 -2.775 -0.295 10.275 1.00 0.67 H new ATOM 0 HA THR A 9 -2.975 -2.696 11.809 1.00 0.72 H new ATOM 0 HB THR A 9 -1.291 -0.313 12.566 1.00 0.67 H new ATOM 0 HG1 THR A 9 -0.700 -2.152 10.423 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.366 -2.060 13.072 1.00 0.80 H new ATOM 0 HG22 THR A 9 -1.163 -2.334 13.940 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.772 -3.302 12.499 1.00 0.80 H new ATOM 161 N GLY A 10 -4.336 0.002 12.928 1.00 0.77 N ATOM 162 CA GLY A 10 -5.115 0.575 14.002 1.00 0.89 C ATOM 163 C GLY A 10 -4.397 1.724 14.670 1.00 0.91 C ATOM 164 O GLY A 10 -4.294 1.774 15.893 1.00 1.31 O ATOM 0 H GLY A 10 -4.368 0.523 12.052 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.071 0.923 13.611 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.334 -0.195 14.742 1.00 0.89 H new ATOM 168 N LYS A 11 -3.893 2.646 13.866 1.00 0.91 N ATOM 169 CA LYS A 11 -3.177 3.797 14.387 1.00 0.92 C ATOM 170 C LYS A 11 -3.437 5.021 13.520 1.00 0.82 C ATOM 171 O LYS A 11 -3.385 4.947 12.290 1.00 0.78 O ATOM 172 CB LYS A 11 -1.675 3.500 14.462 1.00 0.92 C ATOM 173 CG LYS A 11 -0.840 4.644 15.027 1.00 1.03 C ATOM 174 CD LYS A 11 -1.289 5.037 16.428 1.00 1.32 C ATOM 175 CE LYS A 11 -0.332 6.031 17.070 1.00 1.41 C ATOM 176 NZ LYS A 11 -0.104 7.229 16.217 1.00 1.51 N ATOM 0 H LYS A 11 -3.967 2.619 12.849 1.00 0.91 H new ATOM 0 HA LYS A 11 -3.539 4.006 15.394 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -1.521 2.614 15.078 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -1.313 3.260 13.462 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.209 4.350 15.051 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.914 5.508 14.366 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -2.287 5.472 16.381 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -1.359 4.145 17.051 1.00 1.32 H new ATOM 0 HE2 LYS A 11 -0.731 6.345 18.034 1.00 1.41 H new ATOM 0 HE3 LYS A 11 0.621 5.540 17.265 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 0.457 7.928 16.744 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 0.409 6.950 15.357 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 -1.019 7.647 15.954 1.00 1.51 H new ATOM 190 N THR A 12 -3.741 6.132 14.169 1.00 0.80 N ATOM 191 CA THR A 12 -4.003 7.381 13.478 1.00 0.74 C ATOM 192 C THR A 12 -2.902 8.395 13.774 1.00 0.75 C ATOM 193 O THR A 12 -2.362 8.431 14.883 1.00 0.79 O ATOM 194 CB THR A 12 -5.366 7.964 13.907 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.389 6.966 13.776 1.00 0.74 O ATOM 196 CG2 THR A 12 -5.734 9.188 13.076 1.00 0.70 C ATOM 0 H THR A 12 -3.813 6.193 15.185 1.00 0.80 H new ATOM 0 HA THR A 12 -4.024 7.176 12.408 1.00 0.74 H new ATOM 0 HB THR A 12 -5.285 8.272 14.949 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.251 7.343 14.052 1.00 0.74 H new ATOM 0 HG21 THR A 12 -6.699 9.574 13.404 1.00 0.70 H new ATOM 0 HG22 THR A 12 -4.973 9.958 13.205 1.00 0.70 H new ATOM 0 HG23 THR A 12 -5.793 8.909 12.024 1.00 0.70 H new ATOM 204 N ILE A 13 -2.546 9.184 12.772 1.00 0.77 N ATOM 205 CA ILE A 13 -1.532 10.215 12.922 1.00 0.85 C ATOM 206 C ILE A 13 -2.134 11.570 12.565 1.00 0.75 C ATOM 207 O ILE A 13 -2.841 11.692 11.561 1.00 0.68 O ATOM 208 CB ILE A 13 -0.303 9.942 12.028 1.00 1.03 C ATOM 209 CG1 ILE A 13 0.067 8.455 12.073 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.876 10.796 12.474 1.00 1.31 C ATOM 211 CD1 ILE A 13 1.130 8.061 11.073 1.00 1.24 C ATOM 0 H ILE A 13 -2.950 9.128 11.837 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.197 10.212 13.959 1.00 0.85 H new ATOM 0 HB ILE A 13 -0.553 10.207 11.001 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.415 8.207 13.076 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -0.829 7.861 11.890 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.735 10.593 11.835 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.610 11.850 12.400 1.00 1.31 H new ATOM 0 HG23 ILE A 13 1.128 10.557 13.507 1.00 1.31 H new ATOM 0 HD11 ILE A 13 1.339 6.995 11.165 1.00 1.24 H new ATOM 0 HD12 ILE A 13 0.778 8.276 10.064 1.00 1.24 H new ATOM 0 HD13 ILE A 13 2.041 8.627 11.268 1.00 1.24 H new ATOM 223 N THR A 14 -1.872 12.575 13.388 1.00 0.80 N ATOM 224 CA THR A 14 -2.407 13.908 13.156 1.00 0.79 C ATOM 225 C THR A 14 -1.283 14.901 12.885 1.00 0.78 C ATOM 226 O THR A 14 -0.451 15.165 13.754 1.00 0.84 O ATOM 227 CB THR A 14 -3.239 14.389 14.360 1.00 0.91 C ATOM 228 OG1 THR A 14 -4.134 13.350 14.778 1.00 1.31 O ATOM 229 CG2 THR A 14 -4.035 15.636 14.006 1.00 1.07 C ATOM 0 H THR A 14 -1.292 12.492 14.223 1.00 0.80 H new ATOM 0 HA THR A 14 -3.055 13.853 12.281 1.00 0.79 H new ATOM 0 HB THR A 14 -2.555 14.633 15.173 1.00 0.91 H new ATOM 0 HG1 THR A 14 -5.028 13.522 14.414 1.00 1.31 H new ATOM 0 HG21 THR A 14 -4.614 15.956 14.872 1.00 1.07 H new ATOM 0 HG22 THR A 14 -3.352 16.433 13.712 1.00 1.07 H new ATOM 0 HG23 THR A 14 -4.710 15.414 13.180 1.00 1.07 H new ATOM 237 N LEU A 15 -1.244 15.431 11.671 1.00 0.73 N ATOM 238 CA LEU A 15 -0.210 16.386 11.299 1.00 0.75 C ATOM 239 C LEU A 15 -0.812 17.675 10.759 1.00 0.77 C ATOM 240 O LEU A 15 -1.954 17.693 10.294 1.00 0.77 O ATOM 241 CB LEU A 15 0.711 15.788 10.235 1.00 0.73 C ATOM 242 CG LEU A 15 1.194 14.364 10.502 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.740 13.753 9.226 1.00 0.78 C ATOM 244 CD2 LEU A 15 2.253 14.354 11.594 1.00 0.91 C ATOM 0 H LEU A 15 -1.912 15.218 10.930 1.00 0.73 H new ATOM 0 HA LEU A 15 0.360 16.613 12.200 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.188 15.801 9.279 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.583 16.434 10.130 1.00 0.73 H new ATOM 0 HG LEU A 15 0.349 13.766 10.843 1.00 0.73 H new ATOM 0 HD11 LEU A 15 2.082 12.738 9.426 1.00 0.78 H new ATOM 0 HD12 LEU A 15 0.956 13.729 8.469 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.575 14.352 8.864 1.00 0.78 H new ATOM 0 HD21 LEU A 15 2.585 13.331 11.770 1.00 0.91 H new ATOM 0 HD22 LEU A 15 3.102 14.962 11.283 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.832 14.762 12.513 1.00 0.91 H new ATOM 256 N GLU A 16 -0.030 18.744 10.824 1.00 0.80 N ATOM 257 CA GLU A 16 -0.443 20.042 10.315 1.00 0.83 C ATOM 258 C GLU A 16 0.287 20.307 9.005 1.00 0.78 C ATOM 259 O GLU A 16 1.298 21.007 8.967 1.00 0.84 O ATOM 260 CB GLU A 16 -0.135 21.147 11.329 1.00 0.95 C ATOM 261 CG GLU A 16 -1.360 21.664 12.069 1.00 1.01 C ATOM 262 CD GLU A 16 -2.264 22.514 11.195 1.00 1.06 C ATOM 263 OE1 GLU A 16 -1.784 23.058 10.177 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.460 22.652 11.527 1.00 1.17 O ATOM 0 H GLU A 16 0.906 18.735 11.230 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.520 20.039 10.145 1.00 0.83 H new ATOM 0 HB2 GLU A 16 0.584 20.769 12.056 1.00 0.95 H new ATOM 0 HB3 GLU A 16 0.342 21.979 10.811 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.928 20.818 12.456 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -1.038 22.251 12.929 1.00 1.01 H new ATOM 271 N VAL A 17 -0.217 19.713 7.936 1.00 0.70 N ATOM 272 CA VAL A 17 0.390 19.861 6.622 1.00 0.68 C ATOM 273 C VAL A 17 -0.061 21.149 5.955 1.00 0.72 C ATOM 274 O VAL A 17 -1.015 21.788 6.395 1.00 0.76 O ATOM 275 CB VAL A 17 0.054 18.672 5.705 1.00 0.60 C ATOM 276 CG1 VAL A 17 0.728 17.405 6.206 1.00 0.57 C ATOM 277 CG2 VAL A 17 -1.449 18.481 5.606 1.00 0.58 C ATOM 0 H VAL A 17 -1.048 19.122 7.952 1.00 0.70 H new ATOM 0 HA VAL A 17 1.469 19.892 6.775 1.00 0.68 H new ATOM 0 HB VAL A 17 0.435 18.888 4.707 1.00 0.60 H new ATOM 0 HG11 VAL A 17 0.479 16.575 5.545 1.00 0.57 H new ATOM 0 HG12 VAL A 17 1.809 17.548 6.218 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.380 17.183 7.215 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -1.666 17.636 4.953 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.857 18.288 6.598 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.904 19.382 5.196 1.00 0.58 H new ATOM 287 N GLU A 18 0.620 21.518 4.888 1.00 0.73 N ATOM 288 CA GLU A 18 0.298 22.733 4.162 1.00 0.78 C ATOM 289 C GLU A 18 -0.316 22.391 2.808 1.00 0.76 C ATOM 290 O GLU A 18 -0.023 21.341 2.246 1.00 0.72 O ATOM 291 CB GLU A 18 1.557 23.580 3.986 1.00 0.86 C ATOM 292 CG GLU A 18 2.198 23.987 5.304 1.00 0.94 C ATOM 293 CD GLU A 18 3.430 24.843 5.114 1.00 1.06 C ATOM 294 OE1 GLU A 18 3.322 25.916 4.478 1.00 1.18 O ATOM 295 OE2 GLU A 18 4.512 24.452 5.595 1.00 1.25 O ATOM 0 H GLU A 18 1.404 20.992 4.502 1.00 0.73 H new ATOM 0 HA GLU A 18 -0.432 23.308 4.732 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.282 23.021 3.394 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.307 24.477 3.419 1.00 0.86 H new ATOM 0 HG2 GLU A 18 1.470 24.533 5.904 1.00 0.94 H new ATOM 0 HG3 GLU A 18 2.466 23.092 5.865 1.00 0.94 H new ATOM 302 N PRO A 19 -1.183 23.265 2.275 1.00 0.80 N ATOM 303 CA PRO A 19 -1.842 23.047 0.979 1.00 0.82 C ATOM 304 C PRO A 19 -0.868 22.671 -0.140 1.00 0.86 C ATOM 305 O PRO A 19 -1.124 21.746 -0.910 1.00 0.87 O ATOM 306 CB PRO A 19 -2.487 24.401 0.685 1.00 0.87 C ATOM 307 CG PRO A 19 -2.740 24.995 2.026 1.00 0.91 C ATOM 308 CD PRO A 19 -1.613 24.529 2.906 1.00 0.88 C ATOM 0 HA PRO A 19 -2.543 22.213 1.023 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.828 25.033 0.089 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.413 24.285 0.122 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.768 26.083 1.972 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.703 24.671 2.421 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.802 25.257 2.939 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.944 24.373 3.933 1.00 0.88 H new ATOM 316 N SER A 20 0.256 23.373 -0.215 1.00 0.92 N ATOM 317 CA SER A 20 1.244 23.118 -1.258 1.00 1.00 C ATOM 318 C SER A 20 2.354 22.180 -0.779 1.00 0.92 C ATOM 319 O SER A 20 3.411 22.091 -1.407 1.00 0.94 O ATOM 320 CB SER A 20 1.846 24.443 -1.730 1.00 1.18 C ATOM 321 OG SER A 20 0.840 25.435 -1.858 1.00 1.24 O ATOM 0 H SER A 20 0.506 24.121 0.431 1.00 0.92 H new ATOM 0 HA SER A 20 0.735 22.625 -2.087 1.00 1.00 H new ATOM 0 HB2 SER A 20 2.604 24.776 -1.021 1.00 1.18 H new ATOM 0 HB3 SER A 20 2.346 24.300 -2.688 1.00 1.18 H new ATOM 0 HG SER A 20 1.245 26.275 -2.159 1.00 1.24 H new ATOM 327 N ASP A 21 2.117 21.477 0.320 1.00 0.85 N ATOM 328 CA ASP A 21 3.118 20.559 0.851 1.00 0.80 C ATOM 329 C ASP A 21 3.160 19.274 0.035 1.00 0.75 C ATOM 330 O ASP A 21 2.127 18.655 -0.234 1.00 0.73 O ATOM 331 CB ASP A 21 2.852 20.234 2.323 1.00 0.75 C ATOM 332 CG ASP A 21 4.133 19.960 3.087 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.189 20.506 2.693 1.00 0.82 O ATOM 334 OD2 ASP A 21 4.091 19.215 4.090 1.00 0.69 O ATOM 0 H ASP A 21 1.251 21.523 0.857 1.00 0.85 H new ATOM 0 HA ASP A 21 4.086 21.055 0.779 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.324 21.067 2.788 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.198 19.365 2.389 1.00 0.75 H new ATOM 339 N THR A 22 4.357 18.910 -0.393 1.00 0.76 N ATOM 340 CA THR A 22 4.566 17.703 -1.174 1.00 0.74 C ATOM 341 C THR A 22 4.354 16.453 -0.326 1.00 0.67 C ATOM 342 O THR A 22 4.576 16.471 0.886 1.00 0.65 O ATOM 343 CB THR A 22 5.987 17.673 -1.760 1.00 0.80 C ATOM 344 OG1 THR A 22 6.906 18.281 -0.839 1.00 0.85 O ATOM 345 CG2 THR A 22 6.045 18.397 -3.096 1.00 1.02 C ATOM 0 H THR A 22 5.208 19.441 -0.210 1.00 0.76 H new ATOM 0 HA THR A 22 3.837 17.712 -1.984 1.00 0.74 H new ATOM 0 HB THR A 22 6.266 16.632 -1.923 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.802 17.910 -0.978 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.062 18.359 -3.486 1.00 1.02 H new ATOM 0 HG22 THR A 22 5.368 17.915 -3.801 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.747 19.437 -2.960 1.00 1.02 H new ATOM 353 N ILE A 23 3.934 15.371 -0.976 1.00 0.65 N ATOM 354 CA ILE A 23 3.707 14.095 -0.303 1.00 0.59 C ATOM 355 C ILE A 23 4.982 13.653 0.412 1.00 0.58 C ATOM 356 O ILE A 23 4.941 13.051 1.488 1.00 0.54 O ATOM 357 CB ILE A 23 3.271 13.006 -1.314 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.024 13.454 -2.085 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.015 11.679 -0.616 1.00 0.55 C ATOM 360 CD1 ILE A 23 0.832 13.769 -1.203 1.00 0.63 C ATOM 0 H ILE A 23 3.742 15.353 -1.978 1.00 0.65 H new ATOM 0 HA ILE A 23 2.907 14.229 0.425 1.00 0.59 H new ATOM 0 HB ILE A 23 4.086 12.863 -2.023 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.271 14.338 -2.673 1.00 0.67 H new ATOM 0 HG13 ILE A 23 1.744 12.671 -2.790 1.00 0.67 H new ATOM 0 HG21 ILE A 23 2.711 10.934 -1.351 1.00 0.55 H new ATOM 0 HG22 ILE A 23 3.927 11.347 -0.119 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.224 11.804 0.123 1.00 0.55 H new ATOM 0 HD11 ILE A 23 -0.009 14.078 -1.824 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.556 12.881 -0.634 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.091 14.574 -0.516 1.00 0.63 H new ATOM 372 N GLU A 24 6.112 13.985 -0.199 1.00 0.64 N ATOM 373 CA GLU A 24 7.421 13.664 0.348 1.00 0.67 C ATOM 374 C GLU A 24 7.622 14.334 1.710 1.00 0.65 C ATOM 375 O GLU A 24 8.206 13.746 2.623 1.00 0.65 O ATOM 376 CB GLU A 24 8.507 14.107 -0.644 1.00 0.78 C ATOM 377 CG GLU A 24 9.751 14.691 0.006 1.00 0.94 C ATOM 378 CD GLU A 24 10.056 16.099 -0.465 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.123 16.928 -0.548 1.00 2.11 O ATOM 380 OE2 GLU A 24 11.235 16.384 -0.757 1.00 2.16 O ATOM 0 H GLU A 24 6.145 14.484 -1.088 1.00 0.64 H new ATOM 0 HA GLU A 24 7.491 12.587 0.499 1.00 0.67 H new ATOM 0 HB2 GLU A 24 8.798 13.250 -1.252 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.083 14.849 -1.321 1.00 0.78 H new ATOM 0 HG2 GLU A 24 9.622 14.695 1.088 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.604 14.048 -0.210 1.00 0.94 H new ATOM 387 N ASN A 25 7.116 15.554 1.850 1.00 0.66 N ATOM 388 CA ASN A 25 7.256 16.301 3.095 1.00 0.68 C ATOM 389 C ASN A 25 6.240 15.827 4.126 1.00 0.62 C ATOM 390 O ASN A 25 6.432 16.002 5.332 1.00 0.65 O ATOM 391 CB ASN A 25 7.101 17.799 2.844 1.00 0.72 C ATOM 392 CG ASN A 25 7.817 18.635 3.888 1.00 0.79 C ATOM 393 OD1 ASN A 25 8.818 18.212 4.467 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.306 19.827 4.139 1.00 0.83 N ATOM 0 H ASN A 25 6.605 16.047 1.117 1.00 0.66 H new ATOM 0 HA ASN A 25 8.256 16.119 3.489 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.493 18.042 1.856 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.042 18.057 2.839 1.00 0.72 H new ATOM 0 HD21 ASN A 25 7.742 20.433 4.834 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.475 20.142 3.638 1.00 0.83 H new ATOM 401 N VAL A 26 5.158 15.225 3.648 1.00 0.55 N ATOM 402 CA VAL A 26 4.127 14.692 4.531 1.00 0.51 C ATOM 403 C VAL A 26 4.698 13.506 5.296 1.00 0.50 C ATOM 404 O VAL A 26 4.526 13.385 6.511 1.00 0.51 O ATOM 405 CB VAL A 26 2.873 14.250 3.745 1.00 0.49 C ATOM 406 CG1 VAL A 26 1.813 13.681 4.677 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.311 15.414 2.947 1.00 0.50 C ATOM 0 H VAL A 26 4.971 15.093 2.654 1.00 0.55 H new ATOM 0 HA VAL A 26 3.823 15.480 5.220 1.00 0.51 H new ATOM 0 HB VAL A 26 3.169 13.462 3.053 1.00 0.49 H new ATOM 0 HG11 VAL A 26 0.942 13.378 4.096 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.217 12.816 5.202 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.520 14.441 5.401 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.428 15.086 2.399 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.038 16.222 3.626 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.064 15.770 2.243 1.00 0.50 H new ATOM 417 N LYS A 27 5.411 12.652 4.569 1.00 0.50 N ATOM 418 CA LYS A 27 6.048 11.481 5.156 1.00 0.50 C ATOM 419 C LYS A 27 7.108 11.920 6.159 1.00 0.55 C ATOM 420 O LYS A 27 7.304 11.289 7.201 1.00 0.55 O ATOM 421 CB LYS A 27 6.694 10.626 4.065 1.00 0.52 C ATOM 422 CG LYS A 27 5.704 10.049 3.067 1.00 0.52 C ATOM 423 CD LYS A 27 6.413 9.227 2.002 1.00 0.69 C ATOM 424 CE LYS A 27 5.430 8.569 1.045 1.00 1.00 C ATOM 425 NZ LYS A 27 6.130 7.846 -0.050 1.00 1.16 N ATOM 0 H LYS A 27 5.562 12.751 3.565 1.00 0.50 H new ATOM 0 HA LYS A 27 5.290 10.887 5.667 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.425 11.231 3.528 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.240 9.808 4.534 1.00 0.52 H new ATOM 0 HG2 LYS A 27 4.979 9.425 3.589 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.146 10.858 2.595 1.00 0.52 H new ATOM 0 HD2 LYS A 27 7.092 9.869 1.440 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.022 8.460 2.481 1.00 0.69 H new ATOM 0 HE2 LYS A 27 4.797 7.872 1.595 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.773 9.328 0.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 5.553 7.882 -0.914 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 7.051 8.295 -0.229 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 6.276 6.854 0.227 1.00 1.16 H new ATOM 439 N ALA A 28 7.787 13.012 5.824 1.00 0.62 N ATOM 440 CA ALA A 28 8.826 13.572 6.677 1.00 0.69 C ATOM 441 C ALA A 28 8.262 13.960 8.038 1.00 0.71 C ATOM 442 O ALA A 28 8.925 13.801 9.064 1.00 0.76 O ATOM 443 CB ALA A 28 9.468 14.775 6.010 1.00 0.76 C ATOM 0 H ALA A 28 7.633 13.530 4.959 1.00 0.62 H new ATOM 0 HA ALA A 28 9.588 12.808 6.829 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.242 15.182 6.661 1.00 0.76 H new ATOM 0 HB2 ALA A 28 9.913 14.471 5.062 1.00 0.76 H new ATOM 0 HB3 ALA A 28 8.710 15.537 5.827 1.00 0.76 H new ATOM 449 N LYS A 29 7.036 14.468 8.039 1.00 0.69 N ATOM 450 CA LYS A 29 6.378 14.866 9.274 1.00 0.73 C ATOM 451 C LYS A 29 6.129 13.641 10.147 1.00 0.72 C ATOM 452 O LYS A 29 6.409 13.662 11.348 1.00 0.81 O ATOM 453 CB LYS A 29 5.082 15.617 8.969 1.00 0.71 C ATOM 454 CG LYS A 29 5.335 17.029 8.463 1.00 0.75 C ATOM 455 CD LYS A 29 4.081 17.678 7.900 1.00 0.69 C ATOM 456 CE LYS A 29 4.333 19.126 7.496 1.00 0.68 C ATOM 457 NZ LYS A 29 5.347 19.239 6.411 1.00 0.89 N ATOM 0 H LYS A 29 6.478 14.614 7.197 1.00 0.69 H new ATOM 0 HA LYS A 29 7.027 15.546 9.826 1.00 0.73 H new ATOM 0 HB2 LYS A 29 4.512 15.064 8.223 1.00 0.71 H new ATOM 0 HB3 LYS A 29 4.470 15.661 9.870 1.00 0.71 H new ATOM 0 HG2 LYS A 29 5.722 17.640 9.279 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.105 17.003 7.692 1.00 0.75 H new ATOM 0 HD2 LYS A 29 3.735 17.113 7.034 1.00 0.69 H new ATOM 0 HD3 LYS A 29 3.285 17.640 8.644 1.00 0.69 H new ATOM 0 HE2 LYS A 29 3.398 19.577 7.165 1.00 0.68 H new ATOM 0 HE3 LYS A 29 4.669 19.691 8.366 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.110 19.877 6.714 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 5.742 18.299 6.206 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 4.898 19.620 5.554 1.00 0.89 H new ATOM 471 N ILE A 30 5.573 12.585 9.553 1.00 0.64 N ATOM 472 CA ILE A 30 5.353 11.336 10.279 1.00 0.64 C ATOM 473 C ILE A 30 6.674 10.844 10.863 1.00 0.72 C ATOM 474 O ILE A 30 6.743 10.441 12.024 1.00 0.80 O ATOM 475 CB ILE A 30 4.755 10.239 9.367 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.379 10.669 8.851 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.655 8.916 10.115 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.765 9.704 7.858 1.00 0.46 C ATOM 0 H ILE A 30 5.269 12.570 8.579 1.00 0.64 H new ATOM 0 HA ILE A 30 4.639 11.537 11.077 1.00 0.64 H new ATOM 0 HB ILE A 30 5.418 10.100 8.513 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.703 10.781 9.699 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.468 11.649 8.382 1.00 0.52 H new ATOM 0 HG21 ILE A 30 4.232 8.157 9.457 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.649 8.604 10.437 1.00 0.58 H new ATOM 0 HG23 ILE A 30 4.013 9.039 10.987 1.00 0.58 H new ATOM 0 HD11 ILE A 30 1.792 10.079 7.540 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.419 9.609 6.991 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.642 8.728 8.328 1.00 0.46 H new ATOM 490 N GLN A 31 7.712 10.865 10.031 1.00 0.71 N ATOM 491 CA GLN A 31 9.053 10.465 10.448 1.00 0.82 C ATOM 492 C GLN A 31 9.493 11.247 11.682 1.00 0.93 C ATOM 493 O GLN A 31 10.096 10.692 12.596 1.00 1.01 O ATOM 494 CB GLN A 31 10.056 10.686 9.315 1.00 0.84 C ATOM 495 CG GLN A 31 11.505 10.514 9.746 1.00 0.97 C ATOM 496 CD GLN A 31 12.491 10.819 8.638 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.225 11.634 7.754 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.643 10.171 8.684 1.00 1.18 N ATOM 0 H GLN A 31 7.649 11.157 9.056 1.00 0.71 H new ATOM 0 HA GLN A 31 9.023 9.404 10.696 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.840 9.987 8.507 1.00 0.84 H new ATOM 0 HB3 GLN A 31 9.922 11.690 8.912 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.706 11.168 10.594 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.657 9.491 10.089 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.823 9.504 9.434 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.351 10.339 7.969 1.00 1.18 H new ATOM 507 N ASP A 32 9.193 12.538 11.702 1.00 0.95 N ATOM 508 CA ASP A 32 9.558 13.383 12.831 1.00 1.08 C ATOM 509 C ASP A 32 8.799 12.974 14.092 1.00 1.10 C ATOM 510 O ASP A 32 9.383 12.880 15.170 1.00 1.19 O ATOM 511 CB ASP A 32 9.288 14.857 12.513 1.00 1.15 C ATOM 512 CG ASP A 32 10.562 15.675 12.452 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.139 15.973 13.519 1.00 1.24 O ATOM 514 OD2 ASP A 32 10.996 16.025 11.334 1.00 1.51 O ATOM 0 H ASP A 32 8.699 13.022 10.952 1.00 0.95 H new ATOM 0 HA ASP A 32 10.625 13.251 13.012 1.00 1.08 H new ATOM 0 HB2 ASP A 32 8.766 14.931 11.559 1.00 1.15 H new ATOM 0 HB3 ASP A 32 8.627 15.275 13.272 1.00 1.15 H new ATOM 519 N LYS A 33 7.505 12.711 13.949 1.00 1.04 N ATOM 520 CA LYS A 33 6.674 12.327 15.086 1.00 1.08 C ATOM 521 C LYS A 33 6.820 10.844 15.439 1.00 1.05 C ATOM 522 O LYS A 33 7.594 10.485 16.327 1.00 1.11 O ATOM 523 CB LYS A 33 5.203 12.649 14.804 1.00 1.05 C ATOM 524 CG LYS A 33 4.755 13.998 15.346 1.00 1.11 C ATOM 525 CD LYS A 33 3.246 14.162 15.254 1.00 1.21 C ATOM 526 CE LYS A 33 2.777 15.427 15.955 1.00 1.50 C ATOM 527 NZ LYS A 33 1.309 15.621 15.826 1.00 1.79 N ATOM 0 H LYS A 33 7.009 12.756 13.059 1.00 1.04 H new ATOM 0 HA LYS A 33 7.020 12.906 15.942 1.00 1.08 H new ATOM 0 HB2 LYS A 33 5.036 12.627 13.727 1.00 1.05 H new ATOM 0 HB3 LYS A 33 4.580 11.868 15.239 1.00 1.05 H new ATOM 0 HG2 LYS A 33 5.070 14.097 16.385 1.00 1.11 H new ATOM 0 HG3 LYS A 33 5.244 14.796 14.787 1.00 1.11 H new ATOM 0 HD2 LYS A 33 2.946 14.193 14.207 1.00 1.21 H new ATOM 0 HD3 LYS A 33 2.757 13.296 15.700 1.00 1.21 H new ATOM 0 HE2 LYS A 33 3.045 15.378 17.010 1.00 1.50 H new ATOM 0 HE3 LYS A 33 3.295 16.289 15.534 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.079 16.627 15.953 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 1.000 15.312 14.883 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 0.820 15.060 16.552 1.00 1.79 H new ATOM 541 N GLU A 34 6.077 9.990 14.735 1.00 0.98 N ATOM 542 CA GLU A 34 6.080 8.543 14.977 1.00 0.97 C ATOM 543 C GLU A 34 7.436 7.888 14.703 1.00 0.95 C ATOM 544 O GLU A 34 7.660 6.739 15.088 1.00 0.97 O ATOM 545 CB GLU A 34 5.014 7.872 14.108 1.00 0.89 C ATOM 546 CG GLU A 34 3.668 8.583 14.130 1.00 0.94 C ATOM 547 CD GLU A 34 2.680 7.948 15.087 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.150 6.861 14.775 1.00 1.18 O ATOM 549 OE2 GLU A 34 2.411 8.539 16.152 1.00 1.56 O ATOM 0 H GLU A 34 5.455 10.280 13.980 1.00 0.98 H new ATOM 0 HA GLU A 34 5.863 8.404 16.036 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.373 7.825 13.080 1.00 0.89 H new ATOM 0 HB3 GLU A 34 4.877 6.844 14.445 1.00 0.89 H new ATOM 0 HG2 GLU A 34 3.818 9.626 14.410 1.00 0.94 H new ATOM 0 HG3 GLU A 34 3.245 8.581 13.125 1.00 0.94 H new ATOM 556 N GLY A 35 8.333 8.606 14.042 1.00 0.94 N ATOM 557 CA GLY A 35 9.641 8.055 13.737 1.00 0.94 C ATOM 558 C GLY A 35 9.595 6.970 12.683 1.00 0.88 C ATOM 559 O GLY A 35 10.447 6.082 12.661 1.00 0.92 O ATOM 0 H GLY A 35 8.180 9.559 13.711 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.296 8.857 13.397 1.00 0.94 H new ATOM 0 HA3 GLY A 35 10.080 7.650 14.649 1.00 0.94 H new ATOM 563 N ILE A 36 8.609 7.036 11.804 1.00 0.79 N ATOM 564 CA ILE A 36 8.471 6.045 10.749 1.00 0.73 C ATOM 565 C ILE A 36 9.229 6.493 9.501 1.00 0.69 C ATOM 566 O ILE A 36 8.994 7.587 8.994 1.00 0.63 O ATOM 567 CB ILE A 36 6.989 5.806 10.391 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.214 5.335 11.624 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.867 4.790 9.264 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.717 5.269 11.413 1.00 0.76 C ATOM 0 H ILE A 36 7.894 7.763 11.799 1.00 0.79 H new ATOM 0 HA ILE A 36 8.892 5.110 11.118 1.00 0.73 H new ATOM 0 HB ILE A 36 6.560 6.748 10.050 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.575 4.348 11.914 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.426 6.009 12.454 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.815 4.635 9.026 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.388 5.161 8.381 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.311 3.845 9.576 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.235 4.927 12.329 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.342 6.259 11.153 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.494 4.573 10.604 1.00 0.76 H new ATOM 582 N PRO A 37 10.163 5.664 9.002 1.00 0.76 N ATOM 583 CA PRO A 37 10.951 5.987 7.805 1.00 0.77 C ATOM 584 C PRO A 37 10.064 6.291 6.597 1.00 0.66 C ATOM 585 O PRO A 37 9.230 5.475 6.215 1.00 0.58 O ATOM 586 CB PRO A 37 11.771 4.717 7.555 1.00 0.88 C ATOM 587 CG PRO A 37 11.815 4.018 8.868 1.00 0.97 C ATOM 588 CD PRO A 37 10.528 4.353 9.566 1.00 0.88 C ATOM 0 HA PRO A 37 11.561 6.879 7.950 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.307 4.092 6.791 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.774 4.958 7.203 1.00 0.88 H new ATOM 0 HG2 PRO A 37 11.915 2.941 8.732 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.673 4.346 9.455 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.760 3.605 9.372 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.659 4.403 10.647 1.00 0.88 H new ATOM 596 N PRO A 38 10.239 7.471 5.978 1.00 0.70 N ATOM 597 CA PRO A 38 9.450 7.890 4.807 1.00 0.66 C ATOM 598 C PRO A 38 9.568 6.909 3.647 1.00 0.65 C ATOM 599 O PRO A 38 8.631 6.729 2.870 1.00 0.62 O ATOM 600 CB PRO A 38 10.064 9.238 4.423 1.00 0.81 C ATOM 601 CG PRO A 38 10.714 9.727 5.668 1.00 0.91 C ATOM 602 CD PRO A 38 11.215 8.500 6.372 1.00 0.86 C ATOM 0 HA PRO A 38 8.385 7.940 5.035 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.788 9.127 3.616 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.302 9.935 4.074 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.533 10.410 5.440 1.00 0.91 H new ATOM 0 HG3 PRO A 38 10.006 10.274 6.291 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.226 8.239 6.058 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.242 8.638 7.453 1.00 0.86 H new ATOM 610 N ASP A 39 10.720 6.261 3.552 1.00 0.73 N ATOM 611 CA ASP A 39 10.968 5.292 2.491 1.00 0.79 C ATOM 612 C ASP A 39 10.149 4.025 2.724 1.00 0.74 C ATOM 613 O ASP A 39 9.883 3.261 1.799 1.00 0.81 O ATOM 614 CB ASP A 39 12.455 4.952 2.414 1.00 0.89 C ATOM 615 CG ASP A 39 12.850 4.363 1.074 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.201 4.687 0.056 1.00 2.66 O ATOM 617 OD2 ASP A 39 13.835 3.599 1.024 1.00 2.29 O ATOM 0 H ASP A 39 11.500 6.388 4.197 1.00 0.73 H new ATOM 0 HA ASP A 39 10.663 5.735 1.543 1.00 0.79 H new ATOM 0 HB2 ASP A 39 13.040 5.853 2.597 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.704 4.245 3.205 1.00 0.89 H new ATOM 622 N GLN A 40 9.739 3.819 3.969 1.00 0.67 N ATOM 623 CA GLN A 40 8.945 2.655 4.339 1.00 0.70 C ATOM 624 C GLN A 40 7.466 3.023 4.418 1.00 0.60 C ATOM 625 O GLN A 40 6.615 2.179 4.696 1.00 0.67 O ATOM 626 CB GLN A 40 9.415 2.101 5.691 1.00 0.79 C ATOM 627 CG GLN A 40 10.494 1.029 5.594 1.00 0.95 C ATOM 628 CD GLN A 40 11.581 1.360 4.589 1.00 1.48 C ATOM 629 OE1 GLN A 40 12.552 2.050 4.905 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.429 0.859 3.372 1.00 2.01 N ATOM 0 H GLN A 40 9.945 4.448 4.745 1.00 0.67 H new ATOM 0 HA GLN A 40 9.078 1.890 3.574 1.00 0.70 H new ATOM 0 HB2 GLN A 40 9.793 2.925 6.296 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.556 1.687 6.218 1.00 0.79 H new ATOM 0 HG2 GLN A 40 10.947 0.889 6.576 1.00 0.95 H new ATOM 0 HG3 GLN A 40 10.031 0.081 5.319 1.00 0.95 H new ATOM 0 HE21 GLN A 40 10.610 0.293 3.152 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.131 1.040 2.655 1.00 2.01 H new ATOM 639 N GLN A 41 7.166 4.287 4.160 1.00 0.51 N ATOM 640 CA GLN A 41 5.797 4.774 4.219 1.00 0.44 C ATOM 641 C GLN A 41 5.108 4.653 2.871 1.00 0.45 C ATOM 642 O GLN A 41 5.670 5.015 1.836 1.00 0.51 O ATOM 643 CB GLN A 41 5.762 6.237 4.655 1.00 0.40 C ATOM 644 CG GLN A 41 6.216 6.477 6.082 1.00 0.41 C ATOM 645 CD GLN A 41 6.058 7.925 6.486 1.00 0.40 C ATOM 646 OE1 GLN A 41 5.140 8.604 6.038 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.962 8.418 7.312 1.00 0.46 N ATOM 0 H GLN A 41 7.855 4.996 3.907 1.00 0.51 H new ATOM 0 HA GLN A 41 5.270 4.158 4.948 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.393 6.819 3.983 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.745 6.613 4.542 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.639 5.846 6.758 1.00 0.41 H new ATOM 0 HG3 GLN A 41 7.260 6.183 6.185 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.711 7.821 7.663 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.912 9.396 7.599 1.00 0.46 H new ATOM 656 N ARG A 42 3.897 4.127 2.886 1.00 0.46 N ATOM 657 CA ARG A 42 3.109 3.990 1.675 1.00 0.52 C ATOM 658 C ARG A 42 1.776 4.701 1.852 1.00 0.50 C ATOM 659 O ARG A 42 0.873 4.193 2.518 1.00 0.53 O ATOM 660 CB ARG A 42 2.878 2.516 1.328 1.00 0.63 C ATOM 661 CG ARG A 42 4.148 1.760 0.967 1.00 0.69 C ATOM 662 CD ARG A 42 4.851 2.376 -0.232 1.00 0.75 C ATOM 663 NE ARG A 42 6.060 1.640 -0.592 1.00 0.87 N ATOM 664 CZ ARG A 42 7.286 1.990 -0.208 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.475 3.070 0.539 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.328 1.260 -0.576 1.00 1.11 N ATOM 0 H ARG A 42 3.435 3.786 3.729 1.00 0.46 H new ATOM 0 HA ARG A 42 3.659 4.445 0.852 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.403 2.024 2.176 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.181 2.455 0.492 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.824 1.756 1.822 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.903 0.720 0.750 1.00 0.69 H new ATOM 0 HD2 ARG A 42 4.170 2.393 -1.083 1.00 0.75 H new ATOM 0 HD3 ARG A 42 5.109 3.411 -0.009 1.00 0.75 H new ATOM 0 HE ARG A 42 5.959 0.808 -1.173 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.678 3.639 0.823 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.417 3.331 0.829 1.00 0.94 H new ATOM 0 HH21 ARG A 42 8.191 0.430 -1.153 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.267 1.528 -0.282 1.00 1.11 H new ATOM 680 N LEU A 43 1.676 5.893 1.285 1.00 0.47 N ATOM 681 CA LEU A 43 0.454 6.675 1.377 1.00 0.46 C ATOM 682 C LEU A 43 -0.501 6.277 0.263 1.00 0.49 C ATOM 683 O LEU A 43 -0.216 6.468 -0.922 1.00 0.65 O ATOM 684 CB LEU A 43 0.760 8.175 1.324 1.00 0.47 C ATOM 685 CG LEU A 43 1.422 8.746 2.584 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.760 10.215 2.392 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.516 8.565 3.795 1.00 1.14 C ATOM 0 H LEU A 43 2.426 6.339 0.757 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.022 6.468 2.336 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.410 8.368 0.471 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.170 8.714 1.144 1.00 0.47 H new ATOM 0 HG LEU A 43 2.348 8.198 2.760 1.00 0.64 H new ATOM 0 HD11 LEU A 43 2.229 10.602 3.297 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.447 10.324 1.553 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.847 10.775 2.189 1.00 0.98 H new ATOM 0 HD21 LEU A 43 1.003 8.976 4.679 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.427 9.085 3.625 1.00 1.14 H new ATOM 0 HD23 LEU A 43 0.322 7.504 3.949 1.00 1.14 H new ATOM 699 N ILE A 44 -1.623 5.705 0.659 1.00 0.55 N ATOM 700 CA ILE A 44 -2.628 5.243 -0.278 1.00 0.63 C ATOM 701 C ILE A 44 -3.891 6.090 -0.179 1.00 0.63 C ATOM 702 O ILE A 44 -4.363 6.397 0.920 1.00 0.92 O ATOM 703 CB ILE A 44 -2.957 3.758 -0.019 1.00 0.95 C ATOM 704 CG1 ILE A 44 -1.714 2.907 -0.275 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.114 3.288 -0.890 1.00 1.57 C ATOM 706 CD1 ILE A 44 -1.784 1.532 0.341 1.00 1.75 C ATOM 0 H ILE A 44 -1.862 5.548 1.638 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.228 5.344 -1.287 1.00 0.63 H new ATOM 0 HB ILE A 44 -3.263 3.647 1.021 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -1.568 2.807 -1.351 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -0.841 3.428 0.118 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -4.321 2.238 -0.684 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.000 3.883 -0.670 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -3.850 3.406 -1.941 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -0.867 0.986 0.118 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -1.898 1.623 1.421 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -2.637 0.992 -0.070 1.00 1.75 H new ATOM 718 N PHE A 45 -4.429 6.465 -1.331 1.00 0.58 N ATOM 719 CA PHE A 45 -5.625 7.285 -1.391 1.00 0.72 C ATOM 720 C PHE A 45 -6.532 6.821 -2.527 1.00 0.86 C ATOM 721 O PHE A 45 -6.060 6.553 -3.635 1.00 0.83 O ATOM 722 CB PHE A 45 -5.239 8.751 -1.596 1.00 0.77 C ATOM 723 CG PHE A 45 -6.363 9.724 -1.377 1.00 1.02 C ATOM 724 CD1 PHE A 45 -6.747 10.083 -0.095 1.00 0.98 C ATOM 725 CD2 PHE A 45 -7.030 10.288 -2.455 1.00 1.68 C ATOM 726 CE1 PHE A 45 -7.770 10.987 0.109 1.00 1.21 C ATOM 727 CE2 PHE A 45 -8.056 11.191 -2.255 1.00 1.95 C ATOM 728 CZ PHE A 45 -8.427 11.540 -0.971 1.00 1.59 C ATOM 0 H PHE A 45 -4.050 6.210 -2.243 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.167 7.185 -0.450 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.423 8.998 -0.917 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -4.859 8.876 -2.610 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -6.240 9.650 0.755 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.744 10.018 -3.461 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -8.056 11.261 1.114 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.568 11.624 -3.102 1.00 1.95 H new ATOM 0 HZ PHE A 45 -9.230 12.245 -0.813 1.00 1.59 H new ATOM 738 N ALA A 46 -7.822 6.683 -2.221 1.00 1.21 N ATOM 739 CA ALA A 46 -8.844 6.272 -3.191 1.00 1.45 C ATOM 740 C ALA A 46 -8.651 4.842 -3.700 1.00 1.26 C ATOM 741 O ALA A 46 -9.462 4.352 -4.484 1.00 1.24 O ATOM 742 CB ALA A 46 -8.894 7.244 -4.364 1.00 1.65 C ATOM 0 H ALA A 46 -8.193 6.854 -1.286 1.00 1.21 H new ATOM 0 HA ALA A 46 -9.795 6.292 -2.659 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -9.658 6.921 -5.072 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -9.136 8.242 -3.999 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -7.924 7.264 -4.861 1.00 1.65 H new ATOM 748 N GLY A 47 -7.594 4.171 -3.263 1.00 1.29 N ATOM 749 CA GLY A 47 -7.347 2.815 -3.707 1.00 1.38 C ATOM 750 C GLY A 47 -6.026 2.699 -4.439 1.00 1.26 C ATOM 751 O GLY A 47 -5.580 1.599 -4.767 1.00 1.51 O ATOM 0 H GLY A 47 -6.904 4.542 -2.610 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -7.347 2.145 -2.848 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -8.156 2.493 -4.363 1.00 1.38 H new ATOM 755 N LYS A 48 -5.401 3.844 -4.690 1.00 1.08 N ATOM 756 CA LYS A 48 -4.125 3.892 -5.386 1.00 1.25 C ATOM 757 C LYS A 48 -3.054 4.471 -4.470 1.00 1.05 C ATOM 758 O LYS A 48 -3.359 4.949 -3.380 1.00 1.03 O ATOM 759 CB LYS A 48 -4.247 4.744 -6.651 1.00 1.51 C ATOM 760 CG LYS A 48 -5.370 4.301 -7.577 1.00 1.98 C ATOM 761 CD LYS A 48 -5.835 5.437 -8.474 1.00 2.33 C ATOM 762 CE LYS A 48 -6.622 6.484 -7.695 1.00 2.71 C ATOM 763 NZ LYS A 48 -6.960 7.661 -8.535 1.00 3.64 N ATOM 0 H LYS A 48 -5.763 4.758 -4.418 1.00 1.08 H new ATOM 0 HA LYS A 48 -3.840 2.879 -5.670 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -4.412 5.783 -6.365 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -3.303 4.709 -7.195 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -5.029 3.468 -8.191 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -6.209 3.937 -6.984 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -4.971 5.907 -8.944 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -6.456 5.037 -9.276 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -7.539 6.037 -7.310 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -6.040 6.809 -6.833 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -7.566 8.311 -7.995 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -6.086 8.152 -8.812 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -7.465 7.345 -9.388 1.00 3.64 H new ATOM 777 N GLN A 49 -1.810 4.450 -4.919 1.00 0.98 N ATOM 778 CA GLN A 49 -0.709 4.970 -4.124 1.00 0.86 C ATOM 779 C GLN A 49 -0.330 6.366 -4.608 1.00 0.85 C ATOM 780 O GLN A 49 -0.324 6.629 -5.810 1.00 0.98 O ATOM 781 CB GLN A 49 0.492 4.025 -4.207 1.00 1.01 C ATOM 782 CG GLN A 49 1.479 4.173 -3.058 1.00 1.26 C ATOM 783 CD GLN A 49 2.590 3.143 -3.109 1.00 1.41 C ATOM 784 OE1 GLN A 49 3.642 3.370 -3.708 1.00 1.50 O ATOM 785 NE2 GLN A 49 2.364 1.998 -2.484 1.00 2.20 N ATOM 0 H GLN A 49 -1.537 4.079 -5.829 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.022 5.038 -3.082 1.00 0.86 H new ATOM 0 HB2 GLN A 49 0.131 2.997 -4.232 1.00 1.01 H new ATOM 0 HB3 GLN A 49 1.015 4.201 -5.147 1.00 1.01 H new ATOM 0 HG2 GLN A 49 1.913 5.172 -3.083 1.00 1.26 H new ATOM 0 HG3 GLN A 49 0.946 4.081 -2.112 1.00 1.26 H new ATOM 0 HE21 GLN A 49 1.479 1.848 -1.999 1.00 2.20 H new ATOM 0 HE22 GLN A 49 3.074 1.266 -2.488 1.00 2.20 H new ATOM 794 N LEU A 50 -0.033 7.256 -3.668 1.00 0.77 N ATOM 795 CA LEU A 50 0.335 8.628 -3.997 1.00 0.82 C ATOM 796 C LEU A 50 1.791 8.715 -4.436 1.00 0.89 C ATOM 797 O LEU A 50 2.616 7.876 -4.063 1.00 0.93 O ATOM 798 CB LEU A 50 0.104 9.544 -2.792 1.00 0.75 C ATOM 799 CG LEU A 50 -1.314 9.530 -2.219 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.436 10.524 -1.076 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.332 9.841 -3.304 1.00 0.87 C ATOM 0 H LEU A 50 -0.040 7.051 -2.669 1.00 0.77 H new ATOM 0 HA LEU A 50 -0.296 8.954 -4.824 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.799 9.260 -2.002 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.351 10.566 -3.081 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.518 8.532 -1.832 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.451 10.501 -0.680 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -0.733 10.259 -0.287 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.211 11.527 -1.440 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.335 9.826 -2.877 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.129 10.828 -3.721 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.263 9.092 -4.093 1.00 0.87 H new ATOM 813 N GLU A 51 2.099 9.743 -5.217 1.00 0.95 N ATOM 814 CA GLU A 51 3.448 9.961 -5.713 1.00 1.07 C ATOM 815 C GLU A 51 4.195 10.932 -4.797 1.00 0.91 C ATOM 816 O GLU A 51 3.687 12.008 -4.475 1.00 0.89 O ATOM 817 CB GLU A 51 3.396 10.512 -7.141 1.00 1.37 C ATOM 818 CG GLU A 51 4.378 9.849 -8.090 1.00 1.59 C ATOM 819 CD GLU A 51 4.299 8.338 -8.049 1.00 1.84 C ATOM 820 OE1 GLU A 51 3.367 7.765 -8.653 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.177 7.711 -7.416 1.00 2.64 O ATOM 0 H GLU A 51 1.424 10.444 -5.522 1.00 0.95 H new ATOM 0 HA GLU A 51 3.981 9.010 -5.722 1.00 1.07 H new ATOM 0 HB2 GLU A 51 2.386 10.387 -7.532 1.00 1.37 H new ATOM 0 HB3 GLU A 51 3.597 11.583 -7.115 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.183 10.192 -9.106 1.00 1.59 H new ATOM 0 HG3 GLU A 51 5.391 10.163 -7.837 1.00 1.59 H new ATOM 828 N ASP A 52 5.397 10.539 -4.384 1.00 0.89 N ATOM 829 CA ASP A 52 6.230 11.351 -3.489 1.00 0.90 C ATOM 830 C ASP A 52 6.446 12.767 -4.019 1.00 1.06 C ATOM 831 O ASP A 52 6.374 13.740 -3.263 1.00 1.66 O ATOM 832 CB ASP A 52 7.595 10.689 -3.278 1.00 0.94 C ATOM 833 CG ASP A 52 7.537 9.497 -2.348 1.00 1.07 C ATOM 834 OD1 ASP A 52 7.290 8.372 -2.831 1.00 1.51 O ATOM 835 OD2 ASP A 52 7.747 9.675 -1.129 1.00 1.32 O ATOM 0 H ASP A 52 5.823 9.653 -4.656 1.00 0.89 H new ATOM 0 HA ASP A 52 5.693 11.418 -2.543 1.00 0.90 H new ATOM 0 HB2 ASP A 52 7.991 10.371 -4.242 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.291 11.424 -2.874 1.00 0.94 H new ATOM 840 N GLY A 53 6.687 12.880 -5.318 1.00 1.02 N ATOM 841 CA GLY A 53 6.943 14.179 -5.918 1.00 1.10 C ATOM 842 C GLY A 53 5.688 14.958 -6.273 1.00 1.05 C ATOM 843 O GLY A 53 5.730 15.837 -7.132 1.00 1.14 O ATOM 0 H GLY A 53 6.710 12.096 -5.970 1.00 1.02 H new ATOM 0 HA2 GLY A 53 7.543 14.773 -5.229 1.00 1.10 H new ATOM 0 HA3 GLY A 53 7.538 14.039 -6.820 1.00 1.10 H new ATOM 847 N ARG A 54 4.569 14.642 -5.636 1.00 0.93 N ATOM 848 CA ARG A 54 3.324 15.353 -5.903 1.00 0.91 C ATOM 849 C ARG A 54 2.888 16.138 -4.671 1.00 0.83 C ATOM 850 O ARG A 54 3.471 15.990 -3.599 1.00 0.82 O ATOM 851 CB ARG A 54 2.222 14.384 -6.339 1.00 0.93 C ATOM 852 CG ARG A 54 2.327 13.948 -7.796 1.00 1.03 C ATOM 853 CD ARG A 54 2.196 15.128 -8.753 1.00 1.30 C ATOM 854 NE ARG A 54 3.444 15.886 -8.865 1.00 1.89 N ATOM 855 CZ ARG A 54 3.520 17.146 -9.293 1.00 2.64 C ATOM 856 NH1 ARG A 54 2.428 17.799 -9.667 1.00 2.91 N ATOM 857 NH2 ARG A 54 4.695 17.757 -9.338 1.00 3.46 N ATOM 0 H ARG A 54 4.496 13.904 -4.936 1.00 0.93 H new ATOM 0 HA ARG A 54 3.500 16.053 -6.720 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.255 13.500 -5.702 1.00 0.93 H new ATOM 0 HB3 ARG A 54 1.252 14.856 -6.180 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.284 13.453 -7.959 1.00 1.03 H new ATOM 0 HG3 ARG A 54 1.549 13.216 -8.013 1.00 1.03 H new ATOM 0 HD2 ARG A 54 1.903 14.765 -9.738 1.00 1.30 H new ATOM 0 HD3 ARG A 54 1.401 15.788 -8.407 1.00 1.30 H new ATOM 0 HE ARG A 54 4.311 15.420 -8.598 1.00 1.89 H new ATOM 0 HH11 ARG A 54 1.519 17.337 -9.629 1.00 2.91 H new ATOM 0 HH12 ARG A 54 2.497 18.763 -9.993 1.00 2.91 H new ATOM 0 HH21 ARG A 54 5.538 17.263 -9.046 1.00 3.46 H new ATOM 0 HH22 ARG A 54 4.756 18.721 -9.665 1.00 3.46 H new ATOM 871 N THR A 55 1.868 16.971 -4.823 1.00 0.80 N ATOM 872 CA THR A 55 1.382 17.776 -3.713 1.00 0.76 C ATOM 873 C THR A 55 0.038 17.267 -3.209 1.00 0.71 C ATOM 874 O THR A 55 -0.642 16.500 -3.890 1.00 0.73 O ATOM 875 CB THR A 55 1.245 19.260 -4.110 1.00 0.81 C ATOM 876 OG1 THR A 55 0.415 19.392 -5.273 1.00 1.06 O ATOM 877 CG2 THR A 55 2.608 19.877 -4.384 1.00 0.96 C ATOM 0 H THR A 55 1.364 17.106 -5.699 1.00 0.80 H new ATOM 0 HA THR A 55 2.119 17.690 -2.915 1.00 0.76 H new ATOM 0 HB THR A 55 0.783 19.788 -3.276 1.00 0.81 H new ATOM 0 HG1 THR A 55 0.879 19.017 -6.050 1.00 1.06 H new ATOM 0 HG21 THR A 55 2.484 20.924 -4.662 1.00 0.96 H new ATOM 0 HG22 THR A 55 3.225 19.810 -3.488 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.093 19.340 -5.199 1.00 0.96 H new ATOM 885 N LEU A 56 -0.326 17.681 -2.002 1.00 0.68 N ATOM 886 CA LEU A 56 -1.597 17.290 -1.406 1.00 0.67 C ATOM 887 C LEU A 56 -2.770 17.772 -2.257 1.00 0.70 C ATOM 888 O LEU A 56 -3.685 17.004 -2.558 1.00 0.71 O ATOM 889 CB LEU A 56 -1.703 17.846 0.013 1.00 0.68 C ATOM 890 CG LEU A 56 -0.709 17.247 1.007 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.538 18.160 2.205 1.00 1.34 C ATOM 892 CD2 LEU A 56 -1.167 15.867 1.452 1.00 1.26 C ATOM 0 H LEU A 56 0.244 18.290 -1.415 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.637 16.202 -1.363 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -1.556 18.925 -0.022 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.714 17.674 0.382 1.00 0.68 H new ATOM 0 HG LEU A 56 0.256 17.147 0.510 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.173 17.717 2.902 1.00 1.34 H new ATOM 0 HD12 LEU A 56 -0.165 19.129 1.874 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -1.499 18.291 2.702 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -0.447 15.455 2.160 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -2.143 15.944 1.931 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -1.239 15.210 0.585 1.00 1.26 H new ATOM 904 N SER A 57 -2.732 19.036 -2.669 1.00 0.74 N ATOM 905 CA SER A 57 -3.791 19.608 -3.493 1.00 0.79 C ATOM 906 C SER A 57 -3.853 18.962 -4.880 1.00 0.82 C ATOM 907 O SER A 57 -4.800 19.185 -5.635 1.00 0.84 O ATOM 908 CB SER A 57 -3.583 21.118 -3.619 1.00 0.86 C ATOM 909 OG SER A 57 -2.201 21.441 -3.603 1.00 0.95 O ATOM 0 H SER A 57 -1.977 19.684 -2.445 1.00 0.74 H new ATOM 0 HA SER A 57 -4.743 19.407 -3.002 1.00 0.79 H new ATOM 0 HB2 SER A 57 -4.034 21.475 -4.545 1.00 0.86 H new ATOM 0 HB3 SER A 57 -4.090 21.629 -2.800 1.00 0.86 H new ATOM 0 HG SER A 57 -1.912 21.595 -2.679 1.00 0.95 H new ATOM 915 N ASP A 58 -2.857 18.142 -5.203 1.00 0.83 N ATOM 916 CA ASP A 58 -2.814 17.467 -6.497 1.00 0.88 C ATOM 917 C ASP A 58 -3.856 16.367 -6.534 1.00 0.88 C ATOM 918 O ASP A 58 -4.392 16.028 -7.590 1.00 0.94 O ATOM 919 CB ASP A 58 -1.435 16.860 -6.755 1.00 0.89 C ATOM 920 CG ASP A 58 -0.645 17.621 -7.794 1.00 0.87 C ATOM 921 OD1 ASP A 58 -1.152 17.802 -8.921 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.493 18.037 -7.489 1.00 1.03 O ATOM 0 H ASP A 58 -2.071 17.929 -4.589 1.00 0.83 H new ATOM 0 HA ASP A 58 -3.021 18.205 -7.272 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.872 16.838 -5.822 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -1.553 15.826 -7.080 1.00 0.89 H new ATOM 927 N TYR A 59 -4.128 15.811 -5.363 1.00 0.84 N ATOM 928 CA TYR A 59 -5.101 14.741 -5.223 1.00 0.87 C ATOM 929 C TYR A 59 -6.346 15.236 -4.504 1.00 0.86 C ATOM 930 O TYR A 59 -7.096 14.439 -3.938 1.00 0.89 O ATOM 931 CB TYR A 59 -4.496 13.574 -4.442 1.00 0.81 C ATOM 932 CG TYR A 59 -3.256 12.984 -5.069 1.00 0.82 C ATOM 933 CD1 TYR A 59 -3.354 12.060 -6.098 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.989 13.344 -4.626 1.00 0.84 C ATOM 935 CE1 TYR A 59 -2.226 11.507 -6.669 1.00 0.98 C ATOM 936 CE2 TYR A 59 -0.854 12.798 -5.194 1.00 0.91 C ATOM 937 CZ TYR A 59 -0.979 11.879 -6.215 1.00 0.98 C ATOM 938 OH TYR A 59 0.146 11.326 -6.783 1.00 1.11 O ATOM 0 H TYR A 59 -3.683 16.088 -4.488 1.00 0.84 H new ATOM 0 HA TYR A 59 -5.379 14.405 -6.222 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -4.254 13.913 -3.435 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -5.247 12.790 -4.343 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -4.329 11.768 -6.459 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.890 14.062 -3.825 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -2.320 10.786 -7.468 1.00 0.98 H new ATOM 0 HE2 TYR A 59 0.124 13.089 -4.841 1.00 0.91 H new ATOM 0 HH TYR A 59 -0.088 10.921 -7.644 1.00 1.11 H new ATOM 948 N ASN A 60 -6.570 16.551 -4.538 1.00 0.86 N ATOM 949 CA ASN A 60 -7.722 17.173 -3.881 1.00 0.87 C ATOM 950 C ASN A 60 -7.715 16.925 -2.373 1.00 0.80 C ATOM 951 O ASN A 60 -8.762 16.941 -1.724 1.00 0.81 O ATOM 952 CB ASN A 60 -9.037 16.680 -4.502 1.00 0.95 C ATOM 953 CG ASN A 60 -10.207 17.594 -4.188 1.00 1.00 C ATOM 954 OD1 ASN A 60 -10.036 18.796 -3.984 1.00 0.99 O ATOM 955 ND2 ASN A 60 -11.403 17.034 -4.149 1.00 1.07 N ATOM 0 H ASN A 60 -5.961 17.213 -5.019 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.645 18.249 -4.040 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.919 16.605 -5.583 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -9.255 15.677 -4.135 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -12.225 17.602 -3.944 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -11.504 16.034 -4.324 1.00 1.07 H new ATOM 962 N ILE A 61 -6.535 16.706 -1.809 1.00 0.75 N ATOM 963 CA ILE A 61 -6.421 16.477 -0.381 1.00 0.70 C ATOM 964 C ILE A 61 -6.551 17.805 0.350 1.00 0.72 C ATOM 965 O ILE A 61 -5.759 18.724 0.141 1.00 0.76 O ATOM 966 CB ILE A 61 -5.089 15.792 -0.008 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.981 14.435 -0.708 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.981 15.621 1.502 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.579 13.863 -0.713 1.00 0.63 C ATOM 0 H ILE A 61 -5.651 16.683 -2.317 1.00 0.75 H new ATOM 0 HA ILE A 61 -7.223 15.803 -0.080 1.00 0.70 H new ATOM 0 HB ILE A 61 -4.266 16.425 -0.341 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.650 13.729 -0.217 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -5.325 14.538 -1.737 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -4.036 15.136 1.747 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -5.023 16.598 1.983 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.807 15.006 1.858 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.580 12.901 -1.226 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.908 14.549 -1.230 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.238 13.727 0.313 1.00 0.63 H new ATOM 981 N GLN A 62 -7.562 17.900 1.195 1.00 0.72 N ATOM 982 CA GLN A 62 -7.827 19.122 1.936 1.00 0.75 C ATOM 983 C GLN A 62 -7.739 18.866 3.432 1.00 0.73 C ATOM 984 O GLN A 62 -7.237 17.828 3.862 1.00 0.70 O ATOM 985 CB GLN A 62 -9.211 19.657 1.572 1.00 0.82 C ATOM 986 CG GLN A 62 -9.379 19.941 0.086 1.00 0.86 C ATOM 987 CD GLN A 62 -10.816 20.233 -0.299 1.00 0.98 C ATOM 988 OE1 GLN A 62 -11.587 20.782 0.488 1.00 1.04 O ATOM 989 NE2 GLN A 62 -11.186 19.868 -1.515 1.00 1.14 N ATOM 0 H GLN A 62 -8.217 17.142 1.386 1.00 0.72 H new ATOM 0 HA GLN A 62 -7.076 19.866 1.670 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.965 18.934 1.883 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -9.397 20.573 2.133 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.754 20.791 -0.189 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -9.022 19.084 -0.485 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -10.517 19.415 -2.137 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -12.141 20.039 -1.830 1.00 1.14 H new ATOM 998 N LYS A 63 -8.213 19.815 4.222 1.00 0.78 N ATOM 999 CA LYS A 63 -8.194 19.676 5.668 1.00 0.81 C ATOM 1000 C LYS A 63 -9.132 18.555 6.121 1.00 0.84 C ATOM 1001 O LYS A 63 -10.095 18.218 5.424 1.00 0.88 O ATOM 1002 CB LYS A 63 -8.577 21.001 6.332 1.00 0.89 C ATOM 1003 CG LYS A 63 -10.027 21.400 6.117 1.00 0.98 C ATOM 1004 CD LYS A 63 -10.250 22.875 6.409 1.00 1.05 C ATOM 1005 CE LYS A 63 -10.020 23.731 5.175 1.00 1.20 C ATOM 1006 NZ LYS A 63 -11.027 23.457 4.116 1.00 1.50 N ATOM 0 H LYS A 63 -8.616 20.690 3.886 1.00 0.78 H new ATOM 0 HA LYS A 63 -7.182 19.412 5.975 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -8.385 20.929 7.403 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.932 21.790 5.945 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -10.316 21.184 5.088 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -10.670 20.800 6.761 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -11.267 23.025 6.772 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -9.577 23.195 7.205 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -10.061 24.785 5.451 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -9.020 23.543 4.783 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -11.122 24.292 3.503 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -10.720 22.643 3.547 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -11.945 23.245 4.556 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.824 17.986 7.287 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.602 16.894 7.889 1.00 0.91 C ATOM 1022 C GLU A 64 -9.667 15.647 6.997 1.00 0.83 C ATOM 1023 O GLU A 64 -10.457 14.735 7.256 1.00 0.87 O ATOM 1024 CB GLU A 64 -11.019 17.365 8.226 1.00 1.04 C ATOM 1025 CG GLU A 64 -11.062 18.535 9.198 1.00 1.15 C ATOM 1026 CD GLU A 64 -10.419 18.223 10.536 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -10.990 17.425 11.306 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -9.345 18.793 10.830 1.00 1.64 O ATOM 0 H GLU A 64 -8.021 18.270 7.848 1.00 0.86 H new ATOM 0 HA GLU A 64 -9.081 16.611 8.804 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.525 17.652 7.304 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -11.578 16.531 8.651 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -10.557 19.390 8.750 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -12.100 18.827 9.360 1.00 1.15 H new ATOM 1035 N SER A 65 -8.843 15.598 5.956 1.00 0.74 N ATOM 1036 CA SER A 65 -8.833 14.450 5.058 1.00 0.68 C ATOM 1037 C SER A 65 -8.163 13.251 5.715 1.00 0.61 C ATOM 1038 O SER A 65 -7.353 13.398 6.633 1.00 0.59 O ATOM 1039 CB SER A 65 -8.120 14.789 3.749 1.00 0.65 C ATOM 1040 OG SER A 65 -8.765 15.860 3.085 1.00 0.72 O ATOM 0 H SER A 65 -8.179 16.333 5.715 1.00 0.74 H new ATOM 0 HA SER A 65 -9.869 14.194 4.838 1.00 0.68 H new ATOM 0 HB2 SER A 65 -7.083 15.054 3.953 1.00 0.65 H new ATOM 0 HB3 SER A 65 -8.103 13.912 3.102 1.00 0.65 H new ATOM 0 HG SER A 65 -8.571 16.699 3.553 1.00 0.72 H new ATOM 1046 N THR A 66 -8.500 12.066 5.234 1.00 0.59 N ATOM 1047 CA THR A 66 -7.942 10.841 5.767 1.00 0.57 C ATOM 1048 C THR A 66 -7.084 10.143 4.720 1.00 0.55 C ATOM 1049 O THR A 66 -7.538 9.886 3.605 1.00 0.61 O ATOM 1050 CB THR A 66 -9.059 9.891 6.234 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.004 10.619 7.029 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.491 8.731 7.041 1.00 0.68 C ATOM 0 H THR A 66 -9.162 11.929 4.470 1.00 0.59 H new ATOM 0 HA THR A 66 -7.319 11.102 6.622 1.00 0.57 H new ATOM 0 HB THR A 66 -9.554 9.481 5.354 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.716 10.015 7.325 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.303 8.076 7.358 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.790 8.168 6.425 1.00 0.68 H new ATOM 0 HG23 THR A 66 -7.973 9.118 7.919 1.00 0.68 H new ATOM 1060 N LEU A 67 -5.844 9.852 5.077 1.00 0.51 N ATOM 1061 CA LEU A 67 -4.926 9.174 4.177 1.00 0.53 C ATOM 1062 C LEU A 67 -4.605 7.798 4.736 1.00 0.56 C ATOM 1063 O LEU A 67 -4.446 7.641 5.945 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.634 9.983 4.012 1.00 0.53 C ATOM 1065 CG LEU A 67 -3.819 11.437 3.572 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.481 12.159 3.546 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.485 11.504 2.205 1.00 0.84 C ATOM 0 H LEU A 67 -5.448 10.076 5.990 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.396 9.075 3.198 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.097 9.974 4.960 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.001 9.479 3.282 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.467 11.933 4.294 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.631 13.192 3.231 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.040 12.144 4.543 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -1.812 11.660 2.846 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.607 12.546 1.911 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -3.863 10.990 1.472 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.462 11.023 2.252 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.546 6.798 3.874 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.240 5.447 4.318 1.00 0.54 C ATOM 1081 C HIS A 68 -2.739 5.218 4.345 1.00 0.49 C ATOM 1082 O HIS A 68 -2.051 5.421 3.347 1.00 0.50 O ATOM 1083 CB HIS A 68 -4.921 4.410 3.425 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.367 4.206 3.754 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -7.388 4.861 3.100 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -6.963 3.426 4.687 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -8.546 4.492 3.615 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -8.315 3.625 4.578 1.00 1.45 N ATOM 0 H HIS A 68 -4.704 6.893 2.871 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.626 5.331 5.331 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -4.832 4.722 2.384 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.396 3.459 3.518 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -6.466 2.770 5.386 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -9.518 4.842 3.300 1.00 1.33 H new ATOM 0 HE2 HIS A 68 -9.028 3.174 5.151 1.00 1.45 H new ATOM 1097 N LEU A 69 -2.245 4.800 5.495 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.825 4.549 5.661 1.00 0.47 C ATOM 1099 C LEU A 69 -0.541 3.058 5.749 1.00 0.53 C ATOM 1100 O LEU A 69 -1.224 2.324 6.462 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.296 5.249 6.915 1.00 0.49 C ATOM 1102 CG LEU A 69 1.174 4.967 7.243 1.00 0.67 C ATOM 1103 CD1 LEU A 69 2.091 5.796 6.354 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.455 5.246 8.711 1.00 1.00 C ATOM 0 H LEU A 69 -2.806 4.627 6.329 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.314 4.951 4.786 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.426 6.325 6.794 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.907 4.948 7.766 1.00 0.49 H new ATOM 0 HG LEU A 69 1.373 3.913 7.049 1.00 0.67 H new ATOM 0 HD11 LEU A 69 3.130 5.581 6.603 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.909 5.545 5.309 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.891 6.856 6.513 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.504 5.040 8.926 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.238 6.291 8.931 1.00 1.00 H new ATOM 0 HD23 LEU A 69 0.825 4.607 9.330 1.00 1.00 H new ATOM 1116 N VAL A 70 0.453 2.616 5.002 1.00 0.53 N ATOM 1117 CA VAL A 70 0.861 1.223 5.006 1.00 0.59 C ATOM 1118 C VAL A 70 2.363 1.135 5.238 1.00 0.57 C ATOM 1119 O VAL A 70 3.139 1.856 4.606 1.00 0.57 O ATOM 1120 CB VAL A 70 0.480 0.512 3.689 1.00 0.65 C ATOM 1121 CG1 VAL A 70 1.175 -0.838 3.572 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -1.029 0.341 3.600 1.00 1.05 C ATOM 0 H VAL A 70 0.999 3.210 4.377 1.00 0.53 H new ATOM 0 HA VAL A 70 0.334 0.716 5.814 1.00 0.59 H new ATOM 0 HB VAL A 70 0.814 1.135 2.859 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.888 -1.315 2.635 1.00 1.08 H new ATOM 0 HG12 VAL A 70 2.255 -0.694 3.589 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.880 -1.473 4.408 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.284 -0.161 2.667 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.378 -0.258 4.441 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -1.508 1.320 3.628 1.00 1.05 H new ATOM 1132 N LEU A 71 2.764 0.274 6.161 1.00 0.61 N ATOM 1133 CA LEU A 71 4.171 0.103 6.490 1.00 0.63 C ATOM 1134 C LEU A 71 4.833 -0.901 5.554 1.00 0.64 C ATOM 1135 O LEU A 71 4.567 -2.101 5.624 1.00 0.70 O ATOM 1136 CB LEU A 71 4.319 -0.357 7.942 1.00 0.73 C ATOM 1137 CG LEU A 71 3.849 0.646 8.996 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.886 0.024 10.383 1.00 0.97 C ATOM 1139 CD2 LEU A 71 4.704 1.903 8.955 1.00 0.98 C ATOM 0 H LEU A 71 2.132 -0.320 6.698 1.00 0.61 H new ATOM 0 HA LEU A 71 4.669 1.065 6.366 1.00 0.63 H new ATOM 0 HB2 LEU A 71 3.760 -1.284 8.071 1.00 0.73 H new ATOM 0 HB3 LEU A 71 5.368 -0.589 8.127 1.00 0.73 H new ATOM 0 HG LEU A 71 2.819 0.921 8.770 1.00 0.86 H new ATOM 0 HD11 LEU A 71 3.548 0.754 11.118 1.00 0.97 H new ATOM 0 HD12 LEU A 71 3.231 -0.847 10.409 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.906 -0.282 10.618 1.00 0.97 H new ATOM 0 HD21 LEU A 71 4.355 2.605 9.712 1.00 0.98 H new ATOM 0 HD22 LEU A 71 5.744 1.643 9.154 1.00 0.98 H new ATOM 0 HD23 LEU A 71 4.627 2.363 7.970 1.00 0.98 H new ATOM 1151 N ARG A 72 5.692 -0.407 4.676 1.00 0.88 N ATOM 1152 CA ARG A 72 6.397 -1.261 3.732 1.00 0.97 C ATOM 1153 C ARG A 72 7.799 -1.567 4.242 1.00 1.16 C ATOM 1154 O ARG A 72 8.774 -0.934 3.839 1.00 1.48 O ATOM 1155 CB ARG A 72 6.465 -0.603 2.346 1.00 1.07 C ATOM 1156 CG ARG A 72 7.240 -1.410 1.306 1.00 1.39 C ATOM 1157 CD ARG A 72 6.751 -2.847 1.236 1.00 1.15 C ATOM 1158 NE ARG A 72 7.337 -3.588 0.120 1.00 1.50 N ATOM 1159 CZ ARG A 72 8.260 -4.545 0.254 1.00 1.88 C ATOM 1160 NH1 ARG A 72 8.780 -4.824 1.446 1.00 2.11 N ATOM 1161 NH2 ARG A 72 8.674 -5.217 -0.813 1.00 2.62 N ATOM 0 H ARG A 72 5.918 0.584 4.597 1.00 0.88 H new ATOM 0 HA ARG A 72 5.845 -2.196 3.639 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.450 -0.443 1.982 1.00 1.07 H new ATOM 0 HB3 ARG A 72 6.927 0.379 2.445 1.00 1.07 H new ATOM 0 HG2 ARG A 72 7.134 -0.941 0.328 1.00 1.39 H new ATOM 0 HG3 ARG A 72 8.302 -1.398 1.552 1.00 1.39 H new ATOM 0 HD2 ARG A 72 6.992 -3.354 2.170 1.00 1.15 H new ATOM 0 HD3 ARG A 72 5.665 -2.853 1.141 1.00 1.15 H new ATOM 0 HE ARG A 72 7.021 -3.360 -0.822 1.00 1.50 H new ATOM 0 HH11 ARG A 72 8.475 -4.305 2.270 1.00 2.11 H new ATOM 0 HH12 ARG A 72 9.484 -5.557 1.537 1.00 2.11 H new ATOM 0 HH21 ARG A 72 8.288 -5.002 -1.732 1.00 2.62 H new ATOM 0 HH22 ARG A 72 9.378 -5.948 -0.714 1.00 2.62 H new ATOM 1175 N LEU A 73 7.890 -2.529 5.144 1.00 1.26 N ATOM 1176 CA LEU A 73 9.172 -2.922 5.700 1.00 1.52 C ATOM 1177 C LEU A 73 9.889 -3.850 4.732 1.00 1.66 C ATOM 1178 O LEU A 73 9.413 -4.948 4.438 1.00 1.74 O ATOM 1179 CB LEU A 73 8.994 -3.599 7.062 1.00 1.76 C ATOM 1180 CG LEU A 73 8.699 -2.650 8.228 1.00 1.75 C ATOM 1181 CD1 LEU A 73 7.212 -2.359 8.323 1.00 2.34 C ATOM 1182 CD2 LEU A 73 9.209 -3.234 9.533 1.00 1.97 C ATOM 0 H LEU A 73 7.092 -3.051 5.506 1.00 1.26 H new ATOM 0 HA LEU A 73 9.776 -2.027 5.849 1.00 1.52 H new ATOM 0 HB2 LEU A 73 8.181 -4.321 6.987 1.00 1.76 H new ATOM 0 HB3 LEU A 73 9.899 -4.161 7.292 1.00 1.76 H new ATOM 0 HG LEU A 73 9.220 -1.711 8.042 1.00 1.75 H new ATOM 0 HD11 LEU A 73 7.026 -1.683 9.158 1.00 2.34 H new ATOM 0 HD12 LEU A 73 6.872 -1.894 7.397 1.00 2.34 H new ATOM 0 HD13 LEU A 73 6.668 -3.290 8.482 1.00 2.34 H new ATOM 0 HD21 LEU A 73 8.990 -2.546 10.350 1.00 1.97 H new ATOM 0 HD22 LEU A 73 8.717 -4.188 9.721 1.00 1.97 H new ATOM 0 HD23 LEU A 73 10.286 -3.388 9.467 1.00 1.97 H new ATOM 1194 N ARG A 74 11.023 -3.397 4.226 1.00 2.10 N ATOM 1195 CA ARG A 74 11.799 -4.178 3.277 1.00 2.39 C ATOM 1196 C ARG A 74 12.622 -5.236 3.998 1.00 2.58 C ATOM 1197 O ARG A 74 13.267 -4.955 5.011 1.00 2.82 O ATOM 1198 CB ARG A 74 12.707 -3.273 2.440 1.00 2.88 C ATOM 1199 CG ARG A 74 13.549 -2.309 3.261 1.00 2.99 C ATOM 1200 CD ARG A 74 14.582 -1.599 2.402 1.00 3.11 C ATOM 1201 NE ARG A 74 15.090 -0.390 3.043 1.00 3.20 N ATOM 1202 CZ ARG A 74 14.858 0.843 2.598 1.00 3.72 C ATOM 1203 NH1 ARG A 74 14.139 1.040 1.499 1.00 4.12 N ATOM 1204 NH2 ARG A 74 15.351 1.884 3.251 1.00 4.33 N ATOM 0 H ARG A 74 11.428 -2.490 4.457 1.00 2.10 H new ATOM 0 HA ARG A 74 11.103 -4.680 2.605 1.00 2.39 H new ATOM 0 HB2 ARG A 74 13.369 -3.896 1.839 1.00 2.88 H new ATOM 0 HB3 ARG A 74 12.092 -2.701 1.746 1.00 2.88 H new ATOM 0 HG2 ARG A 74 12.901 -1.572 3.736 1.00 2.99 H new ATOM 0 HG3 ARG A 74 14.052 -2.854 4.060 1.00 2.99 H new ATOM 0 HD2 ARG A 74 15.411 -2.277 2.198 1.00 3.11 H new ATOM 0 HD3 ARG A 74 14.138 -1.340 1.441 1.00 3.11 H new ATOM 0 HE ARG A 74 15.658 -0.496 3.884 1.00 3.20 H new ATOM 0 HH11 ARG A 74 13.759 0.243 0.988 1.00 4.12 H new ATOM 0 HH12 ARG A 74 13.966 1.988 1.166 1.00 4.12 H new ATOM 0 HH21 ARG A 74 15.908 1.741 4.094 1.00 4.33 H new ATOM 0 HH22 ARG A 74 15.174 2.829 2.911 1.00 4.33 H new ATOM 1218 N GLY A 75 12.574 -6.456 3.482 1.00 2.94 N ATOM 1219 CA GLY A 75 13.314 -7.549 4.078 1.00 3.23 C ATOM 1220 C GLY A 75 12.671 -8.045 5.357 1.00 2.96 C ATOM 1221 O GLY A 75 13.311 -8.715 6.165 1.00 3.19 O ATOM 0 H GLY A 75 12.032 -6.709 2.656 1.00 2.94 H new ATOM 0 HA2 GLY A 75 13.382 -8.371 3.365 1.00 3.23 H new ATOM 0 HA3 GLY A 75 14.333 -7.224 4.288 1.00 3.23 H new ATOM 1225 N GLY A 76 11.400 -7.715 5.539 1.00 2.87 N ATOM 1226 CA GLY A 76 10.687 -8.130 6.730 1.00 2.77 C ATOM 1227 C GLY A 76 9.360 -7.421 6.878 1.00 2.78 C ATOM 1228 O GLY A 76 8.342 -7.949 6.354 1.00 3.13 O ATOM 0 H GLY A 76 10.848 -7.165 4.880 1.00 2.87 H new ATOM 0 HA2 GLY A 76 10.520 -9.207 6.695 1.00 2.77 H new ATOM 0 HA3 GLY A 76 11.303 -7.932 7.607 1.00 2.77 H new TER 1232 GLY A 76 ATOM 1233 N MET B 1 -4.491 -24.234 -0.144 1.00 0.61 N ATOM 1234 CA MET B 1 -5.493 -23.492 0.658 1.00 0.57 C ATOM 1235 C MET B 1 -5.955 -22.261 -0.103 1.00 0.53 C ATOM 1236 O MET B 1 -5.225 -21.733 -0.938 1.00 0.56 O ATOM 1237 CB MET B 1 -4.908 -23.078 2.013 1.00 0.59 C ATOM 1238 CG MET B 1 -3.754 -22.092 1.915 1.00 0.58 C ATOM 1239 SD MET B 1 -2.920 -21.836 3.491 1.00 0.63 S ATOM 1240 CE MET B 1 -1.795 -20.511 3.058 1.00 0.64 C ATOM 0 H1 MET B 1 -4.092 -25.006 0.427 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.948 -24.630 -0.990 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.729 -23.587 -0.432 1.00 0.61 H new ATOM 0 HA MET B 1 -6.345 -24.148 0.837 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.699 -22.636 2.619 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.566 -23.970 2.537 1.00 0.59 H new ATOM 0 HG2 MET B 1 -3.033 -22.455 1.182 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.128 -21.137 1.548 1.00 0.58 H new ATOM 0 HE1 MET B 1 -1.119 -20.320 3.892 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.216 -20.798 2.180 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.364 -19.608 2.838 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.159 -21.801 0.178 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.699 -20.640 -0.497 1.00 0.58 C ATOM 1254 C GLN B 2 -7.642 -19.421 0.410 1.00 0.55 C ATOM 1255 O GLN B 2 -7.878 -19.518 1.617 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.143 -20.910 -0.921 1.00 0.69 C ATOM 1257 CG GLN B 2 -9.798 -19.744 -1.642 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.308 -19.851 -1.669 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -11.990 -19.392 -0.754 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -11.841 -20.446 -2.721 1.00 2.50 N ATOM 0 H GLN B 2 -7.782 -22.216 0.871 1.00 0.59 H new ATOM 0 HA GLN B 2 -7.097 -20.440 -1.383 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.164 -21.785 -1.571 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.732 -21.156 -0.037 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.512 -18.813 -1.153 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -9.422 -19.696 -2.664 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.240 -20.813 -3.458 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -12.854 -20.538 -2.796 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.305 -18.283 -0.170 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.239 -17.036 0.571 1.00 0.50 C ATOM 1271 C ILE B 3 -8.157 -16.010 -0.073 1.00 0.50 C ATOM 1272 O ILE B 3 -8.560 -16.167 -1.228 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.804 -16.470 0.642 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.192 -16.379 -0.760 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.939 -17.327 1.559 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.919 -15.567 -0.811 1.00 0.55 C ATOM 0 H ILE B 3 -7.071 -18.197 -1.159 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.560 -17.246 1.591 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.847 -15.463 1.058 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.986 -17.386 -1.124 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.922 -15.938 -1.439 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.931 -16.915 1.598 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.367 -17.334 2.561 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.899 -18.346 1.174 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.542 -15.545 -1.833 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.123 -14.549 -0.478 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.172 -16.020 -0.158 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.490 -14.972 0.669 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.362 -13.928 0.165 1.00 0.58 C ATOM 1290 C PHE B 4 -8.564 -12.661 -0.086 1.00 0.56 C ATOM 1291 O PHE B 4 -7.983 -12.092 0.835 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.494 -13.653 1.158 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.297 -14.874 1.503 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.311 -15.306 0.668 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.034 -15.592 2.660 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -13.048 -16.433 0.976 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -11.769 -16.718 2.974 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.776 -17.139 2.132 1.00 0.96 C ATOM 0 H PHE B 4 -8.169 -14.829 1.626 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.800 -14.261 -0.776 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.072 -13.235 2.072 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.158 -12.897 0.739 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.529 -14.756 -0.235 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.246 -15.267 3.323 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.836 -16.762 0.314 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.555 -17.268 3.878 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.352 -18.020 2.376 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.527 -12.230 -1.333 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.802 -11.027 -1.703 1.00 0.54 C ATOM 1310 C VAL B 5 -8.794 -9.901 -1.959 1.00 0.55 C ATOM 1311 O VAL B 5 -9.454 -9.871 -3.000 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.932 -11.251 -2.961 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -6.040 -10.047 -3.222 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.095 -12.517 -2.822 1.00 0.57 C ATOM 0 H VAL B 5 -8.993 -12.697 -2.111 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.137 -10.763 -0.881 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.599 -11.374 -3.815 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.437 -10.227 -4.112 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.658 -9.163 -3.376 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.385 -9.887 -2.366 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.491 -12.654 -3.719 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.441 -12.427 -1.954 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.753 -13.376 -2.693 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.919 -8.998 -0.997 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.852 -7.886 -1.111 1.00 0.59 C ATOM 1326 C LYS B 6 -9.124 -6.568 -1.315 1.00 0.77 C ATOM 1327 O LYS B 6 -8.247 -6.203 -0.531 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.728 -7.800 0.139 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.611 -9.017 0.347 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.725 -8.732 1.342 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.746 -7.763 0.771 1.00 1.66 C ATOM 1332 NZ LYS B 6 -14.941 -7.636 1.642 1.00 2.10 N ATOM 0 H LYS B 6 -8.385 -9.014 -0.128 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.479 -8.069 -1.984 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -10.089 -7.672 1.012 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.357 -6.912 0.071 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.042 -9.322 -0.606 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.006 -9.850 0.705 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -13.219 -9.665 1.614 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.300 -8.318 2.257 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -13.285 -6.784 0.644 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.053 -8.102 -0.219 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.612 -6.966 1.215 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -15.397 -8.565 1.743 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -14.652 -7.288 2.579 1.00 2.10 H new ATOM 1346 N THR B 7 -9.502 -5.842 -2.354 1.00 0.98 N ATOM 1347 CA THR B 7 -8.881 -4.562 -2.646 1.00 1.24 C ATOM 1348 C THR B 7 -9.360 -3.501 -1.659 1.00 1.28 C ATOM 1349 O THR B 7 -10.282 -3.739 -0.878 1.00 1.19 O ATOM 1350 CB THR B 7 -9.188 -4.102 -4.086 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.602 -4.091 -4.307 1.00 2.41 O ATOM 1352 CG2 THR B 7 -8.518 -5.015 -5.104 1.00 1.57 C ATOM 0 H THR B 7 -10.235 -6.117 -3.008 1.00 0.98 H new ATOM 0 HA THR B 7 -7.803 -4.690 -2.548 1.00 1.24 H new ATOM 0 HB THR B 7 -8.793 -3.094 -4.211 1.00 1.42 H new ATOM 0 HG1 THR B 7 -10.788 -3.796 -5.223 1.00 2.41 H new ATOM 0 HG21 THR B 7 -8.750 -4.669 -6.111 1.00 1.57 H new ATOM 0 HG22 THR B 7 -7.439 -4.997 -4.954 1.00 1.57 H new ATOM 0 HG23 THR B 7 -8.885 -6.033 -4.977 1.00 1.57 H new ATOM 1360 N LEU B 8 -8.719 -2.343 -1.671 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.112 -1.259 -0.781 1.00 1.61 C ATOM 1362 C LEU B 8 -10.333 -0.539 -1.343 1.00 1.52 C ATOM 1363 O LEU B 8 -11.040 0.171 -0.628 1.00 1.55 O ATOM 1364 CB LEU B 8 -7.958 -0.270 -0.584 1.00 1.99 C ATOM 1365 CG LEU B 8 -8.176 0.763 0.526 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -8.045 0.115 1.896 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.195 1.916 0.383 1.00 3.45 C ATOM 0 H LEU B 8 -7.930 -2.129 -2.281 1.00 1.48 H new ATOM 0 HA LEU B 8 -9.365 -1.685 0.190 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -7.051 -0.832 -0.364 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -7.787 0.257 -1.522 1.00 1.99 H new ATOM 0 HG LEU B 8 -9.187 1.159 0.431 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -8.203 0.866 2.670 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -8.790 -0.674 1.998 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -7.048 -0.312 2.003 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -7.365 2.640 1.180 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -6.175 1.536 0.449 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -7.340 2.400 -0.583 1.00 3.45 H new ATOM 1379 N THR B 9 -10.582 -0.746 -2.628 1.00 1.49 N ATOM 1380 CA THR B 9 -11.707 -0.125 -3.299 1.00 1.52 C ATOM 1381 C THR B 9 -12.965 -0.982 -3.182 1.00 1.33 C ATOM 1382 O THR B 9 -14.002 -0.517 -2.710 1.00 1.63 O ATOM 1383 CB THR B 9 -11.380 0.114 -4.781 1.00 1.73 C ATOM 1384 OG1 THR B 9 -10.326 -0.771 -5.191 1.00 1.99 O ATOM 1385 CG2 THR B 9 -10.962 1.558 -5.018 1.00 1.90 C ATOM 0 H THR B 9 -10.014 -1.344 -3.228 1.00 1.49 H new ATOM 0 HA THR B 9 -11.896 0.831 -2.812 1.00 1.52 H new ATOM 0 HB THR B 9 -12.275 -0.085 -5.370 1.00 1.73 H new ATOM 0 HG1 THR B 9 -10.120 -0.618 -6.137 1.00 1.99 H new ATOM 0 HG21 THR B 9 -10.736 1.703 -6.074 1.00 1.90 H new ATOM 0 HG22 THR B 9 -11.774 2.224 -4.726 1.00 1.90 H new ATOM 0 HG23 THR B 9 -10.077 1.783 -4.423 1.00 1.90 H new ATOM 1393 N GLY B 10 -12.868 -2.237 -3.595 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.011 -3.125 -3.531 1.00 0.85 C ATOM 1395 C GLY B 10 -13.906 -4.263 -4.523 1.00 0.94 C ATOM 1396 O GLY B 10 -14.272 -4.104 -5.689 1.00 1.62 O ATOM 0 H GLY B 10 -12.019 -2.657 -3.973 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.098 -3.531 -2.523 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -14.921 -2.558 -3.726 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.383 -5.396 -4.067 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.222 -6.579 -4.906 1.00 0.97 C ATOM 1402 C LYS B 11 -12.700 -7.736 -4.062 1.00 0.86 C ATOM 1403 O LYS B 11 -11.852 -7.535 -3.199 1.00 0.85 O ATOM 1404 CB LYS B 11 -12.244 -6.302 -6.054 1.00 1.16 C ATOM 1405 CG LYS B 11 -12.411 -7.230 -7.244 1.00 1.35 C ATOM 1406 CD LYS B 11 -11.278 -7.060 -8.242 1.00 1.35 C ATOM 1407 CE LYS B 11 -11.753 -7.279 -9.669 1.00 1.46 C ATOM 1408 NZ LYS B 11 -12.349 -8.627 -9.864 1.00 1.62 N ATOM 0 H LYS B 11 -13.059 -5.521 -3.108 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.192 -6.838 -5.330 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -12.374 -5.273 -6.388 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -11.224 -6.389 -5.678 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -12.443 -8.264 -6.900 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -13.363 -7.028 -7.734 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -10.856 -6.059 -8.148 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -10.480 -7.765 -8.011 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -12.490 -6.518 -9.925 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -10.913 -7.153 -10.353 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -11.761 -9.174 -10.524 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -12.396 -9.121 -8.950 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -13.308 -8.529 -10.254 1.00 1.62 H new ATOM 1422 N THR B 12 -13.205 -8.937 -4.307 1.00 0.80 N ATOM 1423 CA THR B 12 -12.774 -10.114 -3.565 1.00 0.72 C ATOM 1424 C THR B 12 -12.366 -11.236 -4.516 1.00 0.71 C ATOM 1425 O THR B 12 -13.199 -11.806 -5.223 1.00 0.85 O ATOM 1426 CB THR B 12 -13.880 -10.628 -2.620 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.388 -9.545 -1.828 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.349 -11.726 -1.703 1.00 0.69 C ATOM 0 H THR B 12 -13.915 -9.122 -5.015 1.00 0.80 H new ATOM 0 HA THR B 12 -11.915 -9.814 -2.965 1.00 0.72 H new ATOM 0 HB THR B 12 -14.682 -11.044 -3.230 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.091 -9.878 -1.232 1.00 0.93 H new ATOM 0 HG21 THR B 12 -14.149 -12.071 -1.047 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.989 -12.560 -2.305 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.530 -11.333 -1.101 1.00 0.69 H new ATOM 1436 N ILE B 13 -11.076 -11.526 -4.545 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.543 -12.580 -5.395 1.00 0.59 C ATOM 1438 C ILE B 13 -10.202 -13.808 -4.556 1.00 0.56 C ATOM 1439 O ILE B 13 -9.749 -13.679 -3.417 1.00 0.55 O ATOM 1440 CB ILE B 13 -9.277 -12.116 -6.147 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.374 -10.628 -6.494 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -9.078 -12.942 -7.411 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -8.046 -10.002 -6.860 1.00 0.70 C ATOM 0 H ILE B 13 -10.373 -11.043 -3.986 1.00 0.60 H new ATOM 0 HA ILE B 13 -11.310 -12.829 -6.128 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.416 -12.264 -5.495 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -10.067 -10.502 -7.326 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.796 -10.092 -5.644 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -8.182 -12.603 -7.930 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.967 -13.993 -7.145 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.942 -12.822 -8.064 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.193 -8.947 -7.093 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.356 -10.095 -6.021 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.631 -10.512 -7.730 1.00 0.70 H new ATOM 1455 N THR B 14 -10.439 -14.990 -5.109 1.00 0.57 N ATOM 1456 CA THR B 14 -10.154 -16.237 -4.412 1.00 0.57 C ATOM 1457 C THR B 14 -9.311 -17.173 -5.277 1.00 0.55 C ATOM 1458 O THR B 14 -9.687 -17.495 -6.407 1.00 0.64 O ATOM 1459 CB THR B 14 -11.460 -16.945 -4.005 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.501 -16.639 -4.944 1.00 0.92 O ATOM 1461 CG2 THR B 14 -11.891 -16.515 -2.613 1.00 1.13 C ATOM 0 H THR B 14 -10.830 -15.111 -6.043 1.00 0.57 H new ATOM 0 HA THR B 14 -9.588 -15.988 -3.514 1.00 0.57 H new ATOM 0 HB THR B 14 -11.279 -18.020 -4.002 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.326 -17.095 -4.677 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.815 -17.026 -2.344 1.00 1.13 H new ATOM 0 HG22 THR B 14 -11.112 -16.772 -1.895 1.00 1.13 H new ATOM 0 HG23 THR B 14 -12.055 -15.438 -2.600 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.163 -17.596 -4.750 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.266 -18.489 -5.480 1.00 0.54 C ATOM 1471 C LEU B 15 -6.646 -19.522 -4.545 1.00 0.53 C ATOM 1472 O LEU B 15 -6.714 -19.388 -3.319 1.00 0.54 O ATOM 1473 CB LEU B 15 -6.151 -17.695 -6.172 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.621 -16.577 -7.103 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -6.410 -15.220 -6.451 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -5.889 -16.651 -8.435 1.00 0.72 C ATOM 0 H LEU B 15 -7.833 -17.335 -3.821 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.859 -19.004 -6.235 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.509 -17.260 -5.406 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.537 -18.389 -6.746 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.687 -16.707 -7.290 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -6.750 -14.435 -7.127 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -6.978 -15.170 -5.522 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -5.351 -15.080 -6.236 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.236 -15.848 -9.086 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -4.817 -16.545 -8.267 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.089 -17.613 -8.907 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.041 -20.548 -5.132 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.399 -21.603 -4.365 1.00 0.55 C ATOM 1490 C GLU B 16 -3.913 -21.319 -4.189 1.00 0.53 C ATOM 1491 O GLU B 16 -3.161 -21.203 -5.161 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.591 -22.957 -5.045 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.717 -23.789 -4.451 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.440 -24.217 -3.022 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.295 -24.626 -2.722 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -7.366 -24.156 -2.188 1.00 1.71 O ATOM 0 H GLU B 16 -5.983 -20.670 -6.143 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.868 -21.632 -3.381 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -5.791 -22.796 -6.104 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -4.661 -23.521 -4.979 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.642 -23.214 -4.480 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -6.873 -24.675 -5.067 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.504 -21.200 -2.944 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.114 -20.937 -2.608 1.00 0.54 C ATOM 1505 C VAL B 17 -1.607 -21.974 -1.617 1.00 0.56 C ATOM 1506 O VAL B 17 -2.391 -22.559 -0.865 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.923 -19.526 -2.013 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.166 -18.459 -3.070 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.836 -19.316 -0.814 1.00 0.58 C ATOM 0 H VAL B 17 -4.121 -21.282 -2.136 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.541 -20.997 -3.533 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.892 -19.438 -1.672 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -2.026 -17.472 -2.629 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.462 -18.593 -3.891 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.185 -18.547 -3.448 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.684 -18.315 -0.412 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.875 -19.428 -1.124 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.604 -20.055 -0.047 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.309 -22.223 -1.628 1.00 0.59 N ATOM 1520 CA GLU B 18 0.281 -23.190 -0.718 1.00 0.65 C ATOM 1521 C GLU B 18 0.787 -22.489 0.538 1.00 0.68 C ATOM 1522 O GLU B 18 1.087 -21.300 0.504 1.00 0.70 O ATOM 1523 CB GLU B 18 1.434 -23.921 -1.405 1.00 0.73 C ATOM 1524 CG GLU B 18 0.997 -24.809 -2.557 1.00 1.05 C ATOM 1525 CD GLU B 18 2.164 -25.501 -3.226 1.00 1.91 C ATOM 1526 OE1 GLU B 18 3.028 -26.046 -2.508 1.00 2.32 O ATOM 1527 OE2 GLU B 18 2.223 -25.510 -4.474 1.00 2.71 O ATOM 0 H GLU B 18 0.356 -21.770 -2.255 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.482 -23.915 -0.435 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.148 -23.186 -1.776 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.957 -24.530 -0.667 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.296 -25.558 -2.189 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.464 -24.208 -3.293 1.00 1.05 H new ATOM 1534 N PRO B 19 0.877 -23.204 1.669 1.00 0.79 N ATOM 1535 CA PRO B 19 1.370 -22.626 2.921 1.00 0.90 C ATOM 1536 C PRO B 19 2.785 -22.073 2.764 1.00 0.88 C ATOM 1537 O PRO B 19 3.129 -21.040 3.338 1.00 0.99 O ATOM 1538 CB PRO B 19 1.354 -23.802 3.908 1.00 1.03 C ATOM 1539 CG PRO B 19 1.241 -25.027 3.063 1.00 1.09 C ATOM 1540 CD PRO B 19 0.488 -24.613 1.833 1.00 0.88 C ATOM 0 HA PRO B 19 0.760 -21.786 3.252 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.263 -23.822 4.510 1.00 1.03 H new ATOM 0 HB3 PRO B 19 0.515 -23.723 4.600 1.00 1.03 H new ATOM 0 HG2 PRO B 19 2.226 -25.415 2.805 1.00 1.09 H new ATOM 0 HG3 PRO B 19 0.715 -25.820 3.594 1.00 1.09 H new ATOM 0 HD2 PRO B 19 0.768 -25.213 0.967 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.589 -24.723 1.962 1.00 0.88 H new ATOM 1548 N SER B 20 3.592 -22.755 1.958 1.00 0.82 N ATOM 1549 CA SER B 20 4.967 -22.343 1.720 1.00 0.88 C ATOM 1550 C SER B 20 5.083 -21.489 0.459 1.00 0.86 C ATOM 1551 O SER B 20 6.175 -21.323 -0.084 1.00 0.90 O ATOM 1552 CB SER B 20 5.860 -23.579 1.604 1.00 0.92 C ATOM 1553 OG SER B 20 5.160 -24.654 0.996 1.00 0.87 O ATOM 0 H SER B 20 3.314 -23.599 1.457 1.00 0.82 H new ATOM 0 HA SER B 20 5.293 -21.734 2.564 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.746 -23.338 1.017 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.205 -23.878 2.594 1.00 0.92 H new ATOM 0 HG SER B 20 4.601 -25.100 1.665 1.00 0.87 H new ATOM 1559 N ASP B 21 3.961 -20.952 -0.009 1.00 0.81 N ATOM 1560 CA ASP B 21 3.962 -20.114 -1.203 1.00 0.80 C ATOM 1561 C ASP B 21 4.640 -18.784 -0.916 1.00 0.82 C ATOM 1562 O ASP B 21 4.755 -18.373 0.243 1.00 0.83 O ATOM 1563 CB ASP B 21 2.534 -19.866 -1.693 1.00 0.75 C ATOM 1564 CG ASP B 21 2.347 -20.218 -3.153 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.316 -20.081 -3.929 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.230 -20.643 -3.528 1.00 1.08 O ATOM 0 H ASP B 21 3.044 -21.081 0.418 1.00 0.81 H new ATOM 0 HA ASP B 21 4.515 -20.638 -1.982 1.00 0.80 H new ATOM 0 HB2 ASP B 21 1.841 -20.453 -1.091 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.279 -18.817 -1.541 1.00 0.75 H new ATOM 1571 N THR B 22 5.062 -18.103 -1.966 1.00 0.85 N ATOM 1572 CA THR B 22 5.731 -16.825 -1.823 1.00 0.89 C ATOM 1573 C THR B 22 4.792 -15.702 -2.231 1.00 0.79 C ATOM 1574 O THR B 22 3.906 -15.905 -3.062 1.00 0.73 O ATOM 1575 CB THR B 22 7.002 -16.762 -2.689 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.864 -17.636 -3.818 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.231 -17.149 -1.880 1.00 1.20 C ATOM 0 H THR B 22 4.952 -18.416 -2.930 1.00 0.85 H new ATOM 0 HA THR B 22 6.016 -16.711 -0.777 1.00 0.89 H new ATOM 0 HB THR B 22 7.131 -15.737 -3.037 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.674 -17.591 -4.367 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.116 -17.097 -2.515 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.345 -16.463 -1.041 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.114 -18.165 -1.504 1.00 1.20 H new ATOM 1585 N ILE B 23 4.984 -14.522 -1.655 1.00 0.80 N ATOM 1586 CA ILE B 23 4.143 -13.375 -1.973 1.00 0.73 C ATOM 1587 C ILE B 23 4.215 -13.056 -3.466 1.00 0.72 C ATOM 1588 O ILE B 23 3.206 -12.718 -4.089 1.00 0.66 O ATOM 1589 CB ILE B 23 4.549 -12.135 -1.148 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.551 -12.466 0.351 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.619 -10.963 -1.432 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.242 -13.030 0.868 1.00 0.80 C ATOM 0 H ILE B 23 5.713 -14.334 -0.967 1.00 0.80 H new ATOM 0 HA ILE B 23 3.117 -13.635 -1.714 1.00 0.73 H new ATOM 0 HB ILE B 23 5.558 -11.847 -1.444 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.347 -13.184 0.551 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.789 -11.561 0.910 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.927 -10.102 -0.838 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.667 -10.709 -2.491 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.597 -11.238 -1.170 1.00 0.70 H new ATOM 0 HD11 ILE B 23 3.331 -13.236 1.935 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.444 -12.306 0.703 1.00 0.80 H new ATOM 0 HD13 ILE B 23 3.009 -13.954 0.338 1.00 0.80 H new ATOM 1604 N GLU B 24 5.407 -13.189 -4.040 1.00 0.80 N ATOM 1605 CA GLU B 24 5.601 -12.934 -5.461 1.00 0.84 C ATOM 1606 C GLU B 24 4.802 -13.932 -6.295 1.00 0.80 C ATOM 1607 O GLU B 24 4.191 -13.565 -7.298 1.00 0.80 O ATOM 1608 CB GLU B 24 7.086 -13.008 -5.824 1.00 0.98 C ATOM 1609 CG GLU B 24 7.402 -12.526 -7.234 1.00 1.20 C ATOM 1610 CD GLU B 24 7.016 -11.078 -7.461 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.551 -10.195 -6.759 1.00 3.05 O ATOM 1612 OE2 GLU B 24 6.174 -10.812 -8.341 1.00 2.73 O ATOM 0 H GLU B 24 6.251 -13.472 -3.542 1.00 0.80 H new ATOM 0 HA GLU B 24 5.242 -11.929 -5.681 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.654 -12.411 -5.111 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.425 -14.039 -5.719 1.00 0.98 H new ATOM 0 HG2 GLU B 24 8.469 -12.647 -7.424 1.00 1.20 H new ATOM 0 HG3 GLU B 24 6.877 -13.154 -7.954 1.00 1.20 H new ATOM 1619 N ASN B 25 4.783 -15.189 -5.855 1.00 0.80 N ATOM 1620 CA ASN B 25 4.054 -16.234 -6.567 1.00 0.79 C ATOM 1621 C ASN B 25 2.551 -16.007 -6.454 1.00 0.71 C ATOM 1622 O ASN B 25 1.800 -16.294 -7.384 1.00 0.72 O ATOM 1623 CB ASN B 25 4.412 -17.620 -6.034 1.00 0.80 C ATOM 1624 CG ASN B 25 4.090 -18.717 -7.035 1.00 0.84 C ATOM 1625 OD1 ASN B 25 4.230 -18.530 -8.243 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.648 -19.862 -6.542 1.00 1.12 N ATOM 0 H ASN B 25 5.262 -15.506 -5.012 1.00 0.80 H new ATOM 0 HA ASN B 25 4.345 -16.185 -7.616 1.00 0.79 H new ATOM 0 HB2 ASN B 25 5.474 -17.652 -5.791 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.868 -17.804 -5.108 1.00 0.80 H new ATOM 0 HD21 ASN B 25 3.409 -20.629 -7.170 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.546 -19.978 -5.534 1.00 1.12 H new ATOM 1633 N VAL B 26 2.118 -15.491 -5.306 1.00 0.67 N ATOM 1634 CA VAL B 26 0.707 -15.199 -5.084 1.00 0.60 C ATOM 1635 C VAL B 26 0.227 -14.184 -6.117 1.00 0.58 C ATOM 1636 O VAL B 26 -0.826 -14.358 -6.735 1.00 0.58 O ATOM 1637 CB VAL B 26 0.453 -14.655 -3.658 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -0.995 -14.214 -3.488 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.813 -15.704 -2.618 1.00 0.62 C ATOM 0 H VAL B 26 2.724 -15.267 -4.517 1.00 0.67 H new ATOM 0 HA VAL B 26 0.150 -16.130 -5.189 1.00 0.60 H new ATOM 0 HB VAL B 26 1.090 -13.783 -3.512 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.144 -13.836 -2.476 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.222 -13.426 -4.206 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.656 -15.063 -3.659 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.629 -15.306 -1.620 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.202 -16.594 -2.772 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.867 -15.966 -2.715 1.00 0.62 H new ATOM 1649 N LYS B 27 1.032 -13.145 -6.323 1.00 0.60 N ATOM 1650 CA LYS B 27 0.714 -12.105 -7.294 1.00 0.60 C ATOM 1651 C LYS B 27 0.684 -12.689 -8.701 1.00 0.62 C ATOM 1652 O LYS B 27 -0.122 -12.281 -9.540 1.00 0.61 O ATOM 1653 CB LYS B 27 1.747 -10.977 -7.231 1.00 0.64 C ATOM 1654 CG LYS B 27 1.783 -10.244 -5.899 1.00 0.59 C ATOM 1655 CD LYS B 27 2.835 -9.145 -5.894 1.00 0.66 C ATOM 1656 CE LYS B 27 4.238 -9.723 -5.941 1.00 0.96 C ATOM 1657 NZ LYS B 27 5.272 -8.678 -6.155 1.00 0.99 N ATOM 0 H LYS B 27 1.912 -13.002 -5.828 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.268 -11.700 -7.051 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.735 -11.391 -7.433 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.535 -10.259 -8.023 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.803 -9.812 -5.694 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.993 -10.953 -5.098 1.00 0.59 H new ATOM 0 HD2 LYS B 27 2.681 -8.488 -6.750 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.721 -8.534 -4.999 1.00 0.66 H new ATOM 0 HE2 LYS B 27 4.443 -10.248 -5.008 1.00 0.96 H new ATOM 0 HE3 LYS B 27 4.298 -10.460 -6.742 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 6.210 -9.124 -6.214 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 5.074 -8.170 -7.041 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 5.257 -8.007 -5.360 1.00 0.99 H new ATOM 1671 N ALA B 28 1.554 -13.665 -8.944 1.00 0.67 N ATOM 1672 CA ALA B 28 1.640 -14.316 -10.243 1.00 0.73 C ATOM 1673 C ALA B 28 0.361 -15.090 -10.533 1.00 0.71 C ATOM 1674 O ALA B 28 -0.135 -15.099 -11.662 1.00 0.74 O ATOM 1675 CB ALA B 28 2.847 -15.243 -10.290 1.00 0.81 C ATOM 0 H ALA B 28 2.212 -14.023 -8.252 1.00 0.67 H new ATOM 0 HA ALA B 28 1.761 -13.551 -11.010 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.899 -15.723 -11.267 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.756 -14.666 -10.120 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.751 -16.005 -9.516 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.176 -15.728 -9.499 1.00 0.68 N ATOM 1682 CA LYS B 29 -1.401 -16.504 -9.624 1.00 0.70 C ATOM 1683 C LYS B 29 -2.583 -15.585 -9.909 1.00 0.70 C ATOM 1684 O LYS B 29 -3.456 -15.914 -10.715 1.00 0.76 O ATOM 1685 CB LYS B 29 -1.648 -17.324 -8.353 1.00 0.69 C ATOM 1686 CG LYS B 29 -0.664 -18.473 -8.174 1.00 0.74 C ATOM 1687 CD LYS B 29 -0.907 -19.231 -6.879 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.050 -20.485 -6.803 1.00 0.84 C ATOM 1689 NZ LYS B 29 -0.314 -21.265 -5.566 1.00 1.26 N ATOM 0 H LYS B 29 0.222 -15.722 -8.560 1.00 0.68 H new ATOM 0 HA LYS B 29 -1.292 -17.194 -10.460 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -1.587 -16.665 -7.487 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -2.662 -17.724 -8.379 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -0.749 -19.158 -9.017 1.00 0.74 H new ATOM 0 HG3 LYS B 29 0.354 -18.084 -8.181 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -0.685 -18.585 -6.030 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -1.960 -19.503 -6.806 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -0.244 -21.110 -7.674 1.00 0.84 H new ATOM 0 HE3 LYS B 29 1.003 -20.207 -6.839 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 0.131 -22.202 -5.645 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.082 -20.761 -4.747 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -1.340 -21.378 -5.439 1.00 1.26 H new ATOM 1703 N ILE B 30 -2.604 -14.429 -9.249 1.00 0.65 N ATOM 1704 CA ILE B 30 -3.667 -13.451 -9.449 1.00 0.67 C ATOM 1705 C ILE B 30 -3.611 -12.889 -10.868 1.00 0.70 C ATOM 1706 O ILE B 30 -4.639 -12.544 -11.456 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.568 -12.296 -8.424 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -3.631 -12.851 -6.998 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.679 -11.276 -8.649 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.424 -11.806 -5.922 1.00 0.67 C ATOM 0 H ILE B 30 -1.896 -14.148 -8.571 1.00 0.65 H new ATOM 0 HA ILE B 30 -4.619 -13.960 -9.300 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.612 -11.791 -8.563 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -4.600 -13.327 -6.847 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -2.874 -13.627 -6.887 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.590 -10.473 -7.917 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.595 -10.862 -9.654 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.648 -11.763 -8.537 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.483 -12.277 -4.941 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.444 -11.346 -6.045 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.196 -11.041 -6.004 1.00 0.67 H new ATOM 1722 N GLN B 31 -2.410 -12.839 -11.428 1.00 0.74 N ATOM 1723 CA GLN B 31 -2.221 -12.329 -12.779 1.00 0.80 C ATOM 1724 C GLN B 31 -2.787 -13.316 -13.790 1.00 0.88 C ATOM 1725 O GLN B 31 -3.312 -12.926 -14.829 1.00 0.90 O ATOM 1726 CB GLN B 31 -0.740 -12.083 -13.072 1.00 0.83 C ATOM 1727 CG GLN B 31 -0.489 -11.481 -14.449 1.00 0.92 C ATOM 1728 CD GLN B 31 0.978 -11.472 -14.828 1.00 0.95 C ATOM 1729 OE1 GLN B 31 1.753 -12.310 -14.377 1.00 1.10 O ATOM 1730 NE2 GLN B 31 1.370 -10.520 -15.658 1.00 1.26 N ATOM 0 H GLN B 31 -1.553 -13.145 -10.968 1.00 0.74 H new ATOM 0 HA GLN B 31 -2.750 -11.379 -12.860 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -0.332 -11.416 -12.312 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -0.199 -13.026 -12.992 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -1.049 -12.046 -15.195 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -0.871 -10.460 -14.469 1.00 0.92 H new ATOM 0 HE21 GLN B 31 0.695 -9.842 -16.011 1.00 1.26 H new ATOM 0 HE22 GLN B 31 2.347 -10.464 -15.945 1.00 1.26 H new ATOM 1739 N ASP B 32 -2.685 -14.599 -13.475 1.00 0.95 N ATOM 1740 CA ASP B 32 -3.201 -15.645 -14.352 1.00 1.04 C ATOM 1741 C ASP B 32 -4.724 -15.634 -14.355 1.00 1.07 C ATOM 1742 O ASP B 32 -5.362 -16.164 -15.264 1.00 1.20 O ATOM 1743 CB ASP B 32 -2.703 -17.019 -13.901 1.00 1.03 C ATOM 1744 CG ASP B 32 -1.353 -17.382 -14.482 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -0.795 -16.586 -15.265 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -0.841 -18.472 -14.151 1.00 2.04 O ATOM 0 H ASP B 32 -2.250 -14.943 -12.619 1.00 0.95 H new ATOM 0 HA ASP B 32 -2.839 -15.448 -15.361 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -2.640 -17.037 -12.813 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -3.432 -17.776 -14.191 1.00 1.03 H new ATOM 1751 N LYS B 33 -5.295 -15.023 -13.328 1.00 0.98 N ATOM 1752 CA LYS B 33 -6.739 -14.943 -13.187 1.00 1.04 C ATOM 1753 C LYS B 33 -7.280 -13.574 -13.617 1.00 1.03 C ATOM 1754 O LYS B 33 -7.830 -13.430 -14.708 1.00 1.08 O ATOM 1755 CB LYS B 33 -7.129 -15.247 -11.733 1.00 0.98 C ATOM 1756 CG LYS B 33 -8.581 -14.948 -11.393 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.538 -15.892 -12.099 1.00 1.27 C ATOM 1758 CE LYS B 33 -10.977 -15.425 -11.960 1.00 1.92 C ATOM 1759 NZ LYS B 33 -11.290 -14.985 -10.575 1.00 2.27 N ATOM 0 H LYS B 33 -4.775 -14.572 -12.575 1.00 0.98 H new ATOM 0 HA LYS B 33 -7.188 -15.685 -13.847 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -6.931 -16.299 -11.530 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -6.487 -14.668 -11.069 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -8.724 -15.026 -10.315 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -8.814 -13.920 -11.672 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -9.275 -15.957 -13.155 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -9.437 -16.894 -11.683 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -11.159 -14.602 -12.651 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -11.650 -16.235 -12.244 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -12.319 -15.016 -10.425 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -10.822 -15.618 -9.895 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -10.949 -14.013 -10.434 1.00 2.27 H new ATOM 1773 N GLU B 34 -7.102 -12.572 -12.760 1.00 0.99 N ATOM 1774 CA GLU B 34 -7.599 -11.221 -13.022 1.00 0.98 C ATOM 1775 C GLU B 34 -6.771 -10.486 -14.075 1.00 0.99 C ATOM 1776 O GLU B 34 -7.168 -9.423 -14.551 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.614 -10.410 -11.727 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.276 -11.124 -10.559 1.00 0.92 C ATOM 1779 CD GLU B 34 -9.776 -11.261 -10.724 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.471 -10.229 -10.763 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.273 -12.404 -10.809 1.00 1.20 O ATOM 0 H GLU B 34 -6.613 -12.670 -11.870 1.00 0.99 H new ATOM 0 HA GLU B 34 -8.611 -11.324 -13.414 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.588 -10.162 -11.454 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.133 -9.468 -11.906 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -7.836 -12.115 -10.449 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -8.065 -10.578 -9.639 1.00 0.92 H new ATOM 1788 N GLY B 35 -5.629 -11.049 -14.440 1.00 1.00 N ATOM 1789 CA GLY B 35 -4.775 -10.420 -15.434 1.00 1.02 C ATOM 1790 C GLY B 35 -4.072 -9.172 -14.929 1.00 0.97 C ATOM 1791 O GLY B 35 -3.486 -8.425 -15.714 1.00 1.00 O ATOM 0 H GLY B 35 -5.276 -11.930 -14.067 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -4.026 -11.140 -15.765 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -5.376 -10.161 -16.306 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.139 -8.934 -13.627 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.496 -7.771 -13.025 1.00 0.84 C ATOM 1797 C ILE B 36 -1.994 -8.007 -12.877 1.00 0.83 C ATOM 1798 O ILE B 36 -1.579 -8.996 -12.276 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.101 -7.442 -11.639 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.618 -7.258 -11.747 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.452 -6.194 -11.051 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.313 -7.146 -10.405 1.00 0.81 C ATOM 0 H ILE B 36 -4.633 -9.532 -12.964 1.00 0.89 H new ATOM 0 HA ILE B 36 -3.670 -6.924 -13.689 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.901 -8.279 -10.970 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.826 -6.361 -12.330 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.040 -8.100 -12.296 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.891 -5.980 -10.077 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.381 -6.360 -10.937 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.619 -5.348 -11.718 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.384 -7.018 -10.560 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.136 -8.053 -9.827 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.919 -6.287 -9.862 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.158 -7.117 -13.444 1.00 0.87 N ATOM 1815 CA PRO B 37 0.301 -7.241 -13.357 1.00 0.88 C ATOM 1816 C PRO B 37 0.794 -7.217 -11.911 1.00 0.79 C ATOM 1817 O PRO B 37 0.419 -6.332 -11.140 1.00 0.71 O ATOM 1818 CB PRO B 37 0.821 -6.012 -14.113 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.313 -5.574 -14.972 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.564 -5.933 -14.223 1.00 0.93 C ATOM 0 HA PRO B 37 0.650 -8.187 -13.771 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.120 -5.223 -13.423 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.697 -6.260 -14.713 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.267 -4.502 -15.162 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -0.283 -6.071 -15.941 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.895 -5.120 -13.577 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -2.388 -6.159 -14.899 1.00 0.93 H new ATOM 1828 N PRO B 38 1.629 -8.199 -11.524 1.00 0.82 N ATOM 1829 CA PRO B 38 2.183 -8.299 -10.164 1.00 0.76 C ATOM 1830 C PRO B 38 2.868 -7.012 -9.693 1.00 0.72 C ATOM 1831 O PRO B 38 2.949 -6.745 -8.494 1.00 0.67 O ATOM 1832 CB PRO B 38 3.202 -9.436 -10.281 1.00 0.86 C ATOM 1833 CG PRO B 38 2.706 -10.275 -11.403 1.00 0.95 C ATOM 1834 CD PRO B 38 2.072 -9.321 -12.377 1.00 0.93 C ATOM 0 HA PRO B 38 1.400 -8.475 -9.427 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.201 -9.052 -10.486 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.264 -10.009 -9.356 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.522 -10.826 -11.870 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.984 -11.012 -11.051 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.782 -8.992 -13.136 1.00 0.93 H new ATOM 0 HD3 PRO B 38 1.235 -9.781 -12.902 1.00 0.93 H new ATOM 1842 N ASP B 39 3.350 -6.215 -10.641 1.00 0.79 N ATOM 1843 CA ASP B 39 4.025 -4.954 -10.325 1.00 0.82 C ATOM 1844 C ASP B 39 3.047 -3.924 -9.761 1.00 0.72 C ATOM 1845 O ASP B 39 3.444 -2.982 -9.077 1.00 0.76 O ATOM 1846 CB ASP B 39 4.707 -4.386 -11.575 1.00 0.97 C ATOM 1847 CG ASP B 39 5.371 -3.043 -11.322 1.00 1.25 C ATOM 1848 OD1 ASP B 39 6.203 -2.951 -10.394 1.00 1.92 O ATOM 1849 OD2 ASP B 39 5.071 -2.075 -12.056 1.00 1.76 O ATOM 0 H ASP B 39 3.287 -6.418 -11.639 1.00 0.79 H new ATOM 0 HA ASP B 39 4.778 -5.165 -9.565 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.455 -5.095 -11.930 1.00 0.97 H new ATOM 0 HB3 ASP B 39 3.968 -4.278 -12.369 1.00 0.97 H new ATOM 1854 N GLN B 40 1.765 -4.122 -10.027 1.00 0.64 N ATOM 1855 CA GLN B 40 0.742 -3.197 -9.557 1.00 0.59 C ATOM 1856 C GLN B 40 -0.025 -3.772 -8.373 1.00 0.52 C ATOM 1857 O GLN B 40 -0.899 -3.113 -7.811 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.226 -2.863 -10.690 1.00 0.63 C ATOM 1859 CG GLN B 40 0.347 -1.897 -11.715 1.00 0.74 C ATOM 1860 CD GLN B 40 -0.537 -1.740 -12.935 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -1.753 -1.912 -12.866 1.00 1.81 O ATOM 1862 NE2 GLN B 40 0.071 -1.407 -14.061 1.00 1.91 N ATOM 0 H GLN B 40 1.408 -4.912 -10.564 1.00 0.64 H new ATOM 0 HA GLN B 40 1.242 -2.286 -9.227 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.515 -3.785 -11.194 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.134 -2.434 -10.266 1.00 0.63 H new ATOM 0 HG2 GLN B 40 0.490 -0.922 -11.248 1.00 0.74 H new ATOM 0 HG3 GLN B 40 1.330 -2.248 -12.028 1.00 0.74 H new ATOM 0 HE21 GLN B 40 1.082 -1.274 -14.075 1.00 1.91 H new ATOM 0 HE22 GLN B 40 -0.471 -1.283 -14.916 1.00 1.91 H new ATOM 1871 N GLN B 41 0.317 -4.991 -7.989 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.349 -5.660 -6.880 1.00 0.42 C ATOM 1873 C GLN B 41 0.371 -5.401 -5.562 1.00 0.46 C ATOM 1874 O GLN B 41 1.525 -5.793 -5.389 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.399 -7.168 -7.118 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.182 -7.592 -8.347 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.295 -9.100 -8.441 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.375 -9.789 -7.428 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.289 -9.627 -9.652 1.00 0.74 N ATOM 0 H GLN B 41 1.055 -5.540 -8.430 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.360 -5.257 -6.821 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.621 -7.542 -7.207 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.838 -7.646 -6.242 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -2.179 -7.153 -8.314 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.693 -7.206 -9.242 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.221 -9.023 -10.471 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.352 -10.638 -9.768 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.292 -4.713 -4.648 1.00 0.36 N ATOM 1889 CA ARG B 42 0.280 -4.449 -3.336 1.00 0.39 C ATOM 1890 C ARG B 42 -0.489 -5.220 -2.270 1.00 0.37 C ATOM 1891 O ARG B 42 -1.656 -4.927 -2.005 1.00 0.43 O ATOM 1892 CB ARG B 42 0.255 -2.952 -3.023 1.00 0.50 C ATOM 1893 CG ARG B 42 1.240 -2.136 -3.844 1.00 0.95 C ATOM 1894 CD ARG B 42 2.662 -2.638 -3.660 1.00 1.32 C ATOM 1895 NE ARG B 42 3.635 -1.794 -4.346 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.108 -2.042 -5.565 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.726 -3.131 -6.224 1.00 3.02 N ATOM 1898 NH2 ARG B 42 4.976 -1.204 -6.118 1.00 3.22 N ATOM 0 H ARG B 42 -1.226 -4.327 -4.789 1.00 0.36 H new ATOM 0 HA ARG B 42 1.319 -4.780 -3.339 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.751 -2.571 -3.197 1.00 0.50 H new ATOM 0 HB3 ARG B 42 0.472 -2.808 -1.965 1.00 0.50 H new ATOM 0 HG2 ARG B 42 0.968 -2.187 -4.898 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.181 -1.088 -3.550 1.00 0.95 H new ATOM 0 HD2 ARG B 42 2.899 -2.673 -2.597 1.00 1.32 H new ATOM 0 HD3 ARG B 42 2.738 -3.658 -4.037 1.00 1.32 H new ATOM 0 HE ARG B 42 3.973 -0.963 -3.861 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.067 -3.781 -5.796 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.092 -3.316 -7.158 1.00 3.02 H new ATOM 0 HH21 ARG B 42 5.278 -0.373 -5.609 1.00 3.22 H new ATOM 0 HH22 ARG B 42 5.341 -1.391 -7.052 1.00 3.22 H new ATOM 1912 N LEU B 43 0.165 -6.210 -1.676 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.457 -7.030 -0.643 1.00 0.41 C ATOM 1914 C LEU B 43 -0.318 -6.368 0.722 1.00 0.41 C ATOM 1915 O LEU B 43 0.791 -6.091 1.181 1.00 0.45 O ATOM 1916 CB LEU B 43 0.169 -8.429 -0.614 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.464 -9.466 -1.552 1.00 0.64 C ATOM 1918 CD1 LEU B 43 -1.958 -9.592 -1.291 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -0.206 -9.111 -3.010 1.00 0.85 C ATOM 0 H LEU B 43 1.129 -6.465 -1.892 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.517 -7.126 -0.879 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.226 -8.338 -0.865 1.00 0.46 H new ATOM 0 HB3 LEU B 43 0.115 -8.809 0.406 1.00 0.46 H new ATOM 0 HG LEU B 43 0.003 -10.430 -1.348 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -2.384 -10.333 -1.968 1.00 1.33 H new ATOM 0 HD12 LEU B 43 -2.122 -9.905 -0.260 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -2.439 -8.628 -1.458 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -0.665 -9.861 -3.654 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -0.636 -8.134 -3.228 1.00 0.85 H new ATOM 0 HD23 LEU B 43 0.868 -9.084 -3.193 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.451 -6.128 1.367 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.474 -5.480 2.670 1.00 0.43 C ATOM 1933 C ILE B 44 -2.034 -6.416 3.736 1.00 0.45 C ATOM 1934 O ILE B 44 -3.048 -7.083 3.522 1.00 0.47 O ATOM 1935 CB ILE B 44 -2.337 -4.195 2.655 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -2.256 -3.485 1.297 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.912 -3.257 3.776 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -0.918 -2.833 1.016 1.00 1.03 C ATOM 0 H ILE B 44 -2.372 -6.375 1.006 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.442 -5.220 2.904 1.00 0.43 H new ATOM 0 HB ILE B 44 -3.375 -4.485 2.817 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -2.468 -4.207 0.509 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -3.035 -2.724 1.250 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.528 -2.358 3.752 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.037 -3.757 4.736 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.865 -2.983 3.644 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -0.945 -2.354 0.037 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -0.710 -2.085 1.781 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -0.134 -3.591 1.028 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.361 -6.460 4.872 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.783 -7.280 5.994 1.00 0.52 C ATOM 1952 C PHE B 45 -1.610 -6.497 7.291 1.00 0.58 C ATOM 1953 O PHE B 45 -0.491 -6.157 7.680 1.00 0.57 O ATOM 1954 CB PHE B 45 -0.987 -8.584 6.050 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.446 -9.531 7.124 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -2.774 -9.923 7.201 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -0.550 -10.033 8.053 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.197 -10.798 8.186 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -0.968 -10.906 9.039 1.00 1.31 C ATOM 1960 CZ PHE B 45 -2.291 -11.289 9.106 1.00 0.97 C ATOM 0 H PHE B 45 -0.507 -5.929 5.043 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.834 -7.536 5.864 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.058 -9.084 5.084 1.00 0.64 H new ATOM 0 HB3 PHE B 45 0.065 -8.350 6.211 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.486 -9.541 6.484 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.488 -9.739 8.006 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.234 -11.097 8.235 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -0.258 -11.289 9.758 1.00 1.31 H new ATOM 0 HZ PHE B 45 -2.618 -11.972 9.876 1.00 0.97 H new ATOM 1970 N ALA B 46 -2.731 -6.233 7.953 1.00 0.75 N ATOM 1971 CA ALA B 46 -2.754 -5.476 9.202 1.00 0.94 C ATOM 1972 C ALA B 46 -1.997 -4.149 9.086 1.00 0.87 C ATOM 1973 O ALA B 46 -1.233 -3.780 9.979 1.00 0.92 O ATOM 1974 CB ALA B 46 -2.193 -6.321 10.337 1.00 1.07 C ATOM 0 H ALA B 46 -3.652 -6.538 7.639 1.00 0.75 H new ATOM 0 HA ALA B 46 -3.793 -5.231 9.421 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -2.215 -5.747 11.263 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -2.797 -7.221 10.454 1.00 1.07 H new ATOM 0 HB3 ALA B 46 -1.165 -6.601 10.108 1.00 1.07 H new ATOM 1980 N GLY B 47 -2.200 -3.446 7.976 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.550 -2.158 7.771 1.00 0.87 C ATOM 1982 C GLY B 47 -0.093 -2.265 7.352 1.00 0.74 C ATOM 1983 O GLY B 47 0.566 -1.252 7.121 1.00 0.85 O ATOM 0 H GLY B 47 -2.805 -3.744 7.211 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.097 -1.603 7.009 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.612 -1.580 8.693 1.00 0.87 H new ATOM 1987 N LYS B 48 0.409 -3.480 7.255 1.00 0.58 N ATOM 1988 CA LYS B 48 1.788 -3.707 6.859 1.00 0.54 C ATOM 1989 C LYS B 48 1.824 -4.377 5.495 1.00 0.51 C ATOM 1990 O LYS B 48 1.010 -5.254 5.210 1.00 0.55 O ATOM 1991 CB LYS B 48 2.494 -4.579 7.902 1.00 0.56 C ATOM 1992 CG LYS B 48 3.974 -4.787 7.633 1.00 1.38 C ATOM 1993 CD LYS B 48 4.579 -5.778 8.612 1.00 1.44 C ATOM 1994 CE LYS B 48 5.986 -6.180 8.201 1.00 2.31 C ATOM 1995 NZ LYS B 48 6.029 -6.697 6.806 1.00 2.94 N ATOM 0 H LYS B 48 -0.120 -4.331 7.446 1.00 0.58 H new ATOM 0 HA LYS B 48 2.308 -2.751 6.796 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.374 -4.122 8.884 1.00 0.56 H new ATOM 0 HB3 LYS B 48 2.002 -5.551 7.941 1.00 0.56 H new ATOM 0 HG2 LYS B 48 4.113 -5.148 6.614 1.00 1.38 H new ATOM 0 HG3 LYS B 48 4.497 -3.834 7.708 1.00 1.38 H new ATOM 0 HD2 LYS B 48 4.602 -5.338 9.609 1.00 1.44 H new ATOM 0 HD3 LYS B 48 3.948 -6.665 8.670 1.00 1.44 H new ATOM 0 HE2 LYS B 48 6.650 -5.320 8.290 1.00 2.31 H new ATOM 0 HE3 LYS B 48 6.360 -6.944 8.883 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 6.795 -7.395 6.718 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 5.121 -7.148 6.575 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 6.202 -5.909 6.149 1.00 2.94 H new ATOM 2006 N GLN B 49 2.748 -3.960 4.648 1.00 0.54 N ATOM 2007 CA GLN B 49 2.859 -4.541 3.321 1.00 0.54 C ATOM 2008 C GLN B 49 3.647 -5.841 3.377 1.00 0.54 C ATOM 2009 O GLN B 49 4.596 -5.970 4.150 1.00 0.66 O ATOM 2010 CB GLN B 49 3.521 -3.569 2.351 1.00 0.61 C ATOM 2011 CG GLN B 49 2.708 -3.332 1.089 1.00 0.91 C ATOM 2012 CD GLN B 49 3.499 -2.634 0.007 1.00 1.34 C ATOM 2013 OE1 GLN B 49 3.545 -1.407 -0.055 1.00 1.56 O ATOM 2014 NE2 GLN B 49 4.122 -3.411 -0.863 1.00 2.24 N ATOM 0 H GLN B 49 3.428 -3.227 4.852 1.00 0.54 H new ATOM 0 HA GLN B 49 1.852 -4.751 2.960 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.682 -2.616 2.855 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.503 -3.954 2.075 1.00 0.61 H new ATOM 0 HG2 GLN B 49 2.347 -4.288 0.710 1.00 0.91 H new ATOM 0 HG3 GLN B 49 1.830 -2.734 1.334 1.00 0.91 H new ATOM 0 HE21 GLN B 49 4.059 -4.425 -0.777 1.00 2.24 H new ATOM 0 HE22 GLN B 49 4.665 -2.996 -1.620 1.00 2.24 H new ATOM 2023 N LEU B 50 3.249 -6.789 2.550 1.00 0.60 N ATOM 2024 CA LEU B 50 3.893 -8.092 2.500 1.00 0.66 C ATOM 2025 C LEU B 50 5.102 -8.081 1.575 1.00 0.68 C ATOM 2026 O LEU B 50 4.982 -7.757 0.392 1.00 0.66 O ATOM 2027 CB LEU B 50 2.891 -9.147 2.024 1.00 0.70 C ATOM 2028 CG LEU B 50 2.168 -9.932 3.126 1.00 1.06 C ATOM 2029 CD1 LEU B 50 1.876 -9.054 4.334 1.00 1.76 C ATOM 2030 CD2 LEU B 50 0.878 -10.523 2.584 1.00 1.23 C ATOM 0 H LEU B 50 2.474 -6.681 1.896 1.00 0.60 H new ATOM 0 HA LEU B 50 4.238 -8.335 3.505 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.141 -8.654 1.405 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.416 -9.857 1.385 1.00 0.70 H new ATOM 0 HG LEU B 50 2.825 -10.739 3.450 1.00 1.06 H new ATOM 0 HD11 LEU B 50 1.363 -9.642 5.096 1.00 1.76 H new ATOM 0 HD12 LEU B 50 2.812 -8.671 4.740 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.243 -8.219 4.033 1.00 1.76 H new ATOM 0 HD21 LEU B 50 0.372 -11.078 3.374 1.00 1.23 H new ATOM 0 HD22 LEU B 50 0.230 -9.720 2.232 1.00 1.23 H new ATOM 0 HD23 LEU B 50 1.105 -11.195 1.756 1.00 1.23 H new ATOM 2042 N GLU B 51 6.267 -8.403 2.126 1.00 0.75 N ATOM 2043 CA GLU B 51 7.493 -8.468 1.348 1.00 0.83 C ATOM 2044 C GLU B 51 7.330 -9.502 0.243 1.00 0.76 C ATOM 2045 O GLU B 51 7.005 -10.658 0.511 1.00 0.70 O ATOM 2046 CB GLU B 51 8.682 -8.827 2.249 1.00 1.00 C ATOM 2047 CG GLU B 51 10.017 -8.876 1.520 1.00 1.33 C ATOM 2048 CD GLU B 51 10.322 -7.585 0.795 1.00 1.68 C ATOM 2049 OE1 GLU B 51 10.819 -6.639 1.438 1.00 2.14 O ATOM 2050 OE2 GLU B 51 10.053 -7.502 -0.415 1.00 2.36 O ATOM 0 H GLU B 51 6.385 -8.624 3.115 1.00 0.75 H new ATOM 0 HA GLU B 51 7.690 -7.493 0.903 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.747 -8.097 3.056 1.00 1.00 H new ATOM 0 HB3 GLU B 51 8.496 -9.797 2.710 1.00 1.00 H new ATOM 0 HG2 GLU B 51 10.812 -9.085 2.236 1.00 1.33 H new ATOM 0 HG3 GLU B 51 10.008 -9.698 0.805 1.00 1.33 H new ATOM 2057 N ASP B 52 7.579 -9.078 -0.986 1.00 0.84 N ATOM 2058 CA ASP B 52 7.427 -9.932 -2.162 1.00 0.88 C ATOM 2059 C ASP B 52 8.275 -11.198 -2.064 1.00 0.92 C ATOM 2060 O ASP B 52 7.913 -12.241 -2.612 1.00 1.42 O ATOM 2061 CB ASP B 52 7.807 -9.156 -3.429 1.00 1.02 C ATOM 2062 CG ASP B 52 7.196 -7.767 -3.477 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.009 -7.642 -3.844 1.00 1.52 O ATOM 2064 OD2 ASP B 52 7.904 -6.787 -3.155 1.00 1.32 O ATOM 0 H ASP B 52 7.893 -8.131 -1.201 1.00 0.84 H new ATOM 0 HA ASP B 52 6.381 -10.233 -2.211 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.892 -9.072 -3.486 1.00 1.02 H new ATOM 0 HB3 ASP B 52 7.485 -9.720 -4.305 1.00 1.02 H new ATOM 2069 N GLY B 53 9.388 -11.111 -1.350 1.00 0.79 N ATOM 2070 CA GLY B 53 10.272 -12.252 -1.217 1.00 0.88 C ATOM 2071 C GLY B 53 10.007 -13.108 0.010 1.00 0.84 C ATOM 2072 O GLY B 53 10.768 -14.029 0.295 1.00 0.93 O ATOM 0 H GLY B 53 9.695 -10.271 -0.860 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.179 -12.875 -2.107 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.302 -11.897 -1.182 1.00 0.88 H new ATOM 2076 N ARG B 54 8.946 -12.820 0.750 1.00 0.76 N ATOM 2077 CA ARG B 54 8.631 -13.611 1.934 1.00 0.79 C ATOM 2078 C ARG B 54 7.566 -14.655 1.608 1.00 0.72 C ATOM 2079 O ARG B 54 6.968 -14.627 0.530 1.00 0.69 O ATOM 2080 CB ARG B 54 8.187 -12.717 3.097 1.00 0.83 C ATOM 2081 CG ARG B 54 9.353 -12.117 3.874 1.00 1.00 C ATOM 2082 CD ARG B 54 8.884 -11.287 5.062 1.00 1.22 C ATOM 2083 NE ARG B 54 8.601 -12.110 6.241 1.00 2.01 N ATOM 2084 CZ ARG B 54 8.178 -11.628 7.410 1.00 2.69 C ATOM 2085 NH1 ARG B 54 8.007 -10.325 7.581 1.00 2.90 N ATOM 2086 NH2 ARG B 54 7.942 -12.457 8.416 1.00 3.65 N ATOM 0 H ARG B 54 8.297 -12.057 0.557 1.00 0.76 H new ATOM 0 HA ARG B 54 9.537 -14.130 2.247 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.564 -11.911 2.709 1.00 0.83 H new ATOM 0 HB3 ARG B 54 7.567 -13.300 3.778 1.00 0.83 H new ATOM 0 HG2 ARG B 54 10.004 -12.918 4.226 1.00 1.00 H new ATOM 0 HG3 ARG B 54 9.948 -11.492 3.208 1.00 1.00 H new ATOM 0 HD2 ARG B 54 9.648 -10.550 5.311 1.00 1.22 H new ATOM 0 HD3 ARG B 54 7.987 -10.734 4.784 1.00 1.22 H new ATOM 0 HE ARG B 54 8.737 -13.118 6.162 1.00 2.01 H new ATOM 0 HH11 ARG B 54 8.199 -9.680 6.814 1.00 2.90 H new ATOM 0 HH12 ARG B 54 7.683 -9.967 8.479 1.00 2.90 H new ATOM 0 HH21 ARG B 54 8.084 -13.460 8.295 1.00 3.65 H new ATOM 0 HH22 ARG B 54 7.618 -12.093 9.312 1.00 3.65 H new ATOM 2100 N THR B 55 7.332 -15.568 2.537 1.00 0.72 N ATOM 2101 CA THR B 55 6.361 -16.628 2.334 1.00 0.68 C ATOM 2102 C THR B 55 5.084 -16.382 3.135 1.00 0.66 C ATOM 2103 O THR B 55 5.085 -15.621 4.106 1.00 0.69 O ATOM 2104 CB THR B 55 6.962 -17.989 2.724 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.833 -17.829 3.850 1.00 0.90 O ATOM 2106 CG2 THR B 55 7.742 -18.592 1.567 1.00 0.76 C ATOM 0 H THR B 55 7.803 -15.595 3.441 1.00 0.72 H new ATOM 0 HA THR B 55 6.103 -16.635 1.275 1.00 0.68 H new ATOM 0 HB THR B 55 6.143 -18.661 2.980 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.212 -18.698 4.096 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.156 -19.554 1.870 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.077 -18.735 0.715 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.553 -17.920 1.285 1.00 0.76 H new ATOM 2114 N LEU B 56 4.000 -17.027 2.717 1.00 0.63 N ATOM 2115 CA LEU B 56 2.706 -16.888 3.379 1.00 0.63 C ATOM 2116 C LEU B 56 2.763 -17.335 4.840 1.00 0.70 C ATOM 2117 O LEU B 56 2.315 -16.615 5.734 1.00 0.71 O ATOM 2118 CB LEU B 56 1.642 -17.694 2.632 1.00 0.62 C ATOM 2119 CG LEU B 56 1.253 -17.149 1.255 1.00 0.58 C ATOM 2120 CD1 LEU B 56 0.258 -18.078 0.582 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.669 -15.750 1.376 1.00 1.26 C ATOM 0 H LEU B 56 3.992 -17.657 1.915 1.00 0.63 H new ATOM 0 HA LEU B 56 2.442 -15.830 3.363 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.002 -18.716 2.511 1.00 0.62 H new ATOM 0 HB3 LEU B 56 0.746 -17.743 3.251 1.00 0.62 H new ATOM 0 HG LEU B 56 2.152 -17.094 0.641 1.00 0.58 H new ATOM 0 HD11 LEU B 56 -0.009 -17.678 -0.396 1.00 1.15 H new ATOM 0 HD12 LEU B 56 0.706 -19.064 0.460 1.00 1.15 H new ATOM 0 HD13 LEU B 56 -0.638 -18.160 1.198 1.00 1.15 H new ATOM 0 HD21 LEU B 56 0.399 -15.381 0.386 1.00 1.26 H new ATOM 0 HD22 LEU B 56 -0.220 -15.780 2.007 1.00 1.26 H new ATOM 0 HD23 LEU B 56 1.408 -15.085 1.822 1.00 1.26 H new ATOM 2133 N SER B 57 3.334 -18.509 5.086 1.00 0.76 N ATOM 2134 CA SER B 57 3.427 -19.039 6.442 1.00 0.85 C ATOM 2135 C SER B 57 4.388 -18.212 7.297 1.00 0.90 C ATOM 2136 O SER B 57 4.351 -18.275 8.526 1.00 0.98 O ATOM 2137 CB SER B 57 3.865 -20.503 6.409 1.00 0.95 C ATOM 2138 OG SER B 57 5.035 -20.672 5.626 1.00 0.98 O ATOM 0 H SER B 57 3.738 -19.110 4.368 1.00 0.76 H new ATOM 0 HA SER B 57 2.439 -18.977 6.897 1.00 0.85 H new ATOM 0 HB2 SER B 57 4.051 -20.852 7.425 1.00 0.95 H new ATOM 0 HB3 SER B 57 3.061 -21.117 6.003 1.00 0.95 H new ATOM 0 HG SER B 57 4.783 -20.836 4.693 1.00 0.98 H new ATOM 2144 N ASP B 58 5.233 -17.422 6.642 1.00 0.87 N ATOM 2145 CA ASP B 58 6.193 -16.580 7.349 1.00 0.93 C ATOM 2146 C ASP B 58 5.472 -15.382 7.951 1.00 0.91 C ATOM 2147 O ASP B 58 5.917 -14.793 8.935 1.00 0.95 O ATOM 2148 CB ASP B 58 7.299 -16.115 6.402 1.00 0.97 C ATOM 2149 CG ASP B 58 8.594 -15.806 7.123 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.244 -16.747 7.621 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.975 -14.623 7.182 1.00 1.61 O ATOM 0 H ASP B 58 5.273 -17.347 5.626 1.00 0.87 H new ATOM 0 HA ASP B 58 6.653 -17.160 8.149 1.00 0.93 H new ATOM 0 HB2 ASP B 58 7.480 -16.887 5.654 1.00 0.97 H new ATOM 0 HB3 ASP B 58 6.964 -15.226 5.868 1.00 0.97 H new ATOM 2156 N TYR B 59 4.336 -15.046 7.351 1.00 0.86 N ATOM 2157 CA TYR B 59 3.509 -13.941 7.815 1.00 0.87 C ATOM 2158 C TYR B 59 2.348 -14.476 8.640 1.00 0.88 C ATOM 2159 O TYR B 59 1.466 -13.720 9.050 1.00 0.91 O ATOM 2160 CB TYR B 59 2.963 -13.141 6.632 1.00 0.81 C ATOM 2161 CG TYR B 59 3.887 -12.055 6.132 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.113 -10.906 6.883 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.528 -12.173 4.906 1.00 0.78 C ATOM 2164 CE1 TYR B 59 4.949 -9.906 6.423 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.364 -11.178 4.442 1.00 0.80 C ATOM 2166 CZ TYR B 59 5.574 -10.049 5.203 1.00 0.83 C ATOM 2167 OH TYR B 59 6.412 -9.060 4.739 1.00 0.90 O ATOM 0 H TYR B 59 3.965 -15.530 6.533 1.00 0.86 H new ATOM 0 HA TYR B 59 4.126 -13.285 8.429 1.00 0.87 H new ATOM 0 HB2 TYR B 59 2.752 -13.827 5.812 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.014 -12.689 6.922 1.00 0.81 H new ATOM 0 HD1 TYR B 59 3.627 -10.794 7.841 1.00 0.84 H new ATOM 0 HD2 TYR B 59 4.370 -13.057 4.306 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.111 -9.018 7.016 1.00 0.87 H new ATOM 0 HE2 TYR B 59 5.852 -11.284 3.485 1.00 0.80 H new ATOM 0 HH TYR B 59 7.088 -8.858 5.419 1.00 0.90 H new ATOM 2177 N ASN B 60 2.366 -15.788 8.868 1.00 0.89 N ATOM 2178 CA ASN B 60 1.327 -16.481 9.631 1.00 0.92 C ATOM 2179 C ASN B 60 -0.001 -16.467 8.873 1.00 0.86 C ATOM 2180 O ASN B 60 -1.078 -16.469 9.469 1.00 0.89 O ATOM 2181 CB ASN B 60 1.158 -15.863 11.028 1.00 1.00 C ATOM 2182 CG ASN B 60 0.407 -16.776 11.986 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.433 -17.999 11.850 1.00 2.05 O ATOM 2184 ND2 ASN B 60 -0.271 -16.186 12.960 1.00 1.91 N ATOM 0 H ASN B 60 3.104 -16.404 8.528 1.00 0.89 H new ATOM 0 HA ASN B 60 1.641 -17.517 9.758 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.141 -15.637 11.442 1.00 1.00 H new ATOM 0 HB3 ASN B 60 0.624 -14.917 10.940 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -0.795 -16.749 13.630 1.00 1.91 H new ATOM 0 HD22 ASN B 60 -0.268 -15.169 13.040 1.00 1.91 H new ATOM 2191 N ILE B 61 0.079 -16.464 7.548 1.00 0.80 N ATOM 2192 CA ILE B 61 -1.112 -16.464 6.718 1.00 0.74 C ATOM 2193 C ILE B 61 -1.589 -17.895 6.509 1.00 0.74 C ATOM 2194 O ILE B 61 -0.908 -18.701 5.876 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.855 -15.786 5.355 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.403 -14.340 5.575 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -2.105 -15.831 4.484 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.141 -13.674 4.333 1.00 0.65 C ATOM 0 H ILE B 61 0.957 -16.462 7.029 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.884 -15.891 7.232 1.00 0.74 H new ATOM 0 HB ILE B 61 -0.066 -16.329 4.835 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -1.246 -13.759 5.948 1.00 0.70 H new ATOM 0 HG13 ILE B 61 0.363 -14.323 6.350 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.900 -15.348 3.529 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.391 -16.869 4.312 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.919 -15.309 4.988 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.440 -12.653 4.569 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.005 -14.231 3.971 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.629 -13.657 3.562 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.747 -18.200 7.067 1.00 0.80 N ATOM 2211 CA GLN B 62 -3.318 -19.535 6.975 1.00 0.81 C ATOM 2212 C GLN B 62 -4.450 -19.584 5.957 1.00 0.75 C ATOM 2213 O GLN B 62 -4.677 -18.628 5.210 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.837 -19.969 8.347 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.828 -19.775 9.465 1.00 1.02 C ATOM 2216 CD GLN B 62 -3.480 -19.645 10.826 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -4.541 -20.218 11.080 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -2.855 -18.880 11.707 1.00 1.51 N ATOM 0 H GLN B 62 -3.315 -17.536 7.593 1.00 0.80 H new ATOM 0 HA GLN B 62 -2.535 -20.218 6.644 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -4.739 -19.404 8.581 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -4.121 -21.020 8.303 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -2.138 -20.619 9.476 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -2.236 -18.882 9.264 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -1.978 -18.424 11.455 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -3.250 -18.747 12.638 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.156 -20.703 5.937 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.274 -20.891 5.030 1.00 0.77 C ATOM 2229 C LYS B 63 -7.447 -20.015 5.454 1.00 0.77 C ATOM 2230 O LYS B 63 -7.640 -19.764 6.647 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.695 -22.365 5.002 1.00 0.81 C ATOM 2232 CG LYS B 63 -7.206 -22.887 6.335 1.00 0.91 C ATOM 2233 CD LYS B 63 -7.549 -24.365 6.256 1.00 1.12 C ATOM 2234 CE LYS B 63 -8.267 -24.843 7.509 1.00 1.66 C ATOM 2235 NZ LYS B 63 -9.730 -24.577 7.446 1.00 2.28 N ATOM 0 H LYS B 63 -4.971 -21.501 6.545 1.00 0.78 H new ATOM 0 HA LYS B 63 -5.963 -20.599 4.027 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.473 -22.496 4.250 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -5.844 -22.970 4.689 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -6.450 -22.728 7.104 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -8.089 -22.322 6.634 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -8.178 -24.547 5.384 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -6.636 -24.944 6.116 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -8.098 -25.912 7.639 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -7.845 -24.345 8.382 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -10.059 -24.227 8.368 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -9.922 -23.861 6.716 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -10.233 -25.456 7.209 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.198 -19.526 4.471 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.365 -18.679 4.716 1.00 0.79 C ATOM 2251 C GLU B 64 -8.958 -17.332 5.321 1.00 0.78 C ATOM 2252 O GLU B 64 -9.709 -16.734 6.094 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.382 -19.384 5.624 1.00 0.88 C ATOM 2254 CG GLU B 64 -11.187 -20.471 4.925 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.618 -21.859 5.142 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -10.598 -22.327 6.303 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.207 -22.501 4.152 1.00 1.43 O ATOM 0 H GLU B 64 -8.016 -19.704 3.483 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.837 -18.492 3.752 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -9.854 -19.824 6.470 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -11.069 -18.641 6.029 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -12.215 -20.445 5.287 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.220 -20.261 3.856 1.00 1.05 H new ATOM 2264 N SER B 65 -7.770 -16.859 4.968 1.00 0.69 N ATOM 2265 CA SER B 65 -7.282 -15.582 5.463 1.00 0.70 C ATOM 2266 C SER B 65 -7.583 -14.478 4.454 1.00 0.66 C ATOM 2267 O SER B 65 -7.509 -14.698 3.244 1.00 0.63 O ATOM 2268 CB SER B 65 -5.778 -15.649 5.740 1.00 0.68 C ATOM 2269 OG SER B 65 -5.488 -16.590 6.761 1.00 0.74 O ATOM 0 H SER B 65 -7.127 -17.342 4.340 1.00 0.69 H new ATOM 0 HA SER B 65 -7.794 -15.356 6.398 1.00 0.70 H new ATOM 0 HB2 SER B 65 -5.249 -15.923 4.827 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.415 -14.664 6.035 1.00 0.68 H new ATOM 0 HG SER B 65 -5.403 -17.484 6.368 1.00 0.74 H new ATOM 2275 N THR B 66 -7.928 -13.302 4.952 1.00 0.70 N ATOM 2276 CA THR B 66 -8.247 -12.177 4.091 1.00 0.69 C ATOM 2277 C THR B 66 -7.107 -11.162 4.051 1.00 0.65 C ATOM 2278 O THR B 66 -6.666 -10.662 5.089 1.00 0.68 O ATOM 2279 CB THR B 66 -9.533 -11.472 4.554 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.538 -12.446 4.869 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.049 -10.528 3.479 1.00 0.88 C ATOM 0 H THR B 66 -7.994 -13.102 5.950 1.00 0.70 H new ATOM 0 HA THR B 66 -8.397 -12.579 3.089 1.00 0.69 H new ATOM 0 HB THR B 66 -9.303 -10.888 5.445 1.00 0.79 H new ATOM 0 HG1 THR B 66 -11.354 -11.990 5.165 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.959 -10.041 3.829 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.293 -9.773 3.264 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.265 -11.093 2.572 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.622 -10.884 2.851 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.553 -9.921 2.651 1.00 0.59 C ATOM 2291 C LEU B 67 -6.078 -8.732 1.859 1.00 0.58 C ATOM 2292 O LEU B 67 -7.049 -8.859 1.109 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.384 -10.570 1.903 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.759 -11.785 2.591 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -2.840 -12.524 1.632 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.996 -11.358 3.834 1.00 1.31 C ATOM 0 H LEU B 67 -6.958 -11.319 1.991 1.00 0.61 H new ATOM 0 HA LEU B 67 -5.198 -9.580 3.624 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.730 -10.871 0.914 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.608 -9.819 1.754 1.00 0.59 H new ATOM 0 HG LEU B 67 -4.560 -12.461 2.892 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -2.404 -13.386 2.137 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -3.412 -12.862 0.768 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -2.045 -11.856 1.302 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -2.558 -12.235 4.311 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.204 -10.663 3.554 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -3.678 -10.869 4.530 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.451 -7.581 2.029 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.866 -6.385 1.315 1.00 0.60 C ATOM 2310 C HIS B 68 -4.997 -6.192 0.078 1.00 0.56 C ATOM 2311 O HIS B 68 -3.800 -6.464 0.109 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.774 -5.151 2.220 1.00 0.70 C ATOM 2313 CG HIS B 68 -7.095 -4.497 2.509 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -8.223 -4.678 1.733 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -7.462 -3.647 3.500 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -9.218 -3.968 2.231 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.786 -3.337 3.307 1.00 2.10 N ATOM 0 H HIS B 68 -4.655 -7.449 2.653 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.905 -6.508 1.009 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -5.311 -5.440 3.163 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.114 -4.420 1.752 1.00 0.70 H new ATOM 0 HD1 HIS B 68 -8.279 -5.269 0.903 1.00 1.91 H new ATOM 0 HD2 HIS B 68 -6.829 -3.281 4.295 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -10.218 -3.913 1.826 1.00 2.20 H new ATOM 2326 N LEU B 69 -5.601 -5.741 -1.009 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.872 -5.512 -2.244 1.00 0.51 C ATOM 2328 C LEU B 69 -5.031 -4.065 -2.689 1.00 0.52 C ATOM 2329 O LEU B 69 -6.145 -3.545 -2.772 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.367 -6.458 -3.343 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.544 -6.440 -4.636 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.173 -7.054 -4.405 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.275 -7.171 -5.752 1.00 0.71 C ATOM 0 H LEU B 69 -6.597 -5.526 -1.060 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.816 -5.711 -2.063 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.374 -7.474 -2.950 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.399 -6.202 -3.584 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.410 -5.402 -4.939 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.603 -7.032 -5.334 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.643 -6.485 -3.641 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -3.288 -8.086 -4.074 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.672 -7.145 -6.660 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.445 -8.207 -5.458 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.233 -6.685 -5.939 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.916 -3.411 -2.937 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.929 -2.028 -3.380 1.00 0.44 C ATOM 2347 C VAL B 70 -3.311 -1.924 -4.768 1.00 0.43 C ATOM 2348 O VAL B 70 -2.288 -2.549 -5.046 1.00 0.49 O ATOM 2349 CB VAL B 70 -3.174 -1.115 -2.389 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -3.072 0.309 -2.919 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.858 -1.131 -1.031 1.00 0.77 C ATOM 0 H VAL B 70 -2.984 -3.815 -2.840 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.965 -1.692 -3.420 1.00 0.44 H new ATOM 0 HB VAL B 70 -2.161 -1.502 -2.277 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -2.536 0.927 -2.199 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -2.535 0.307 -3.867 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -4.073 0.714 -3.070 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.315 -0.483 -0.343 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.882 -0.773 -1.135 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.868 -2.149 -0.640 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.941 -1.150 -5.639 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.456 -0.981 -6.997 1.00 0.45 C ATOM 2363 C LEU B 71 -2.467 0.178 -7.069 1.00 0.52 C ATOM 2364 O LEU B 71 -2.829 1.333 -6.842 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.631 -0.737 -7.944 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.596 -1.915 -8.097 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.885 -1.467 -8.770 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.941 -3.038 -8.889 1.00 1.04 C ATOM 0 H LEU B 71 -4.792 -0.628 -5.427 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.941 -1.892 -7.302 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.191 0.128 -7.588 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.238 -0.479 -8.927 1.00 0.52 H new ATOM 0 HG LEU B 71 -5.842 -2.291 -7.104 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.558 -2.318 -8.870 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -7.362 -0.696 -8.165 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.659 -1.065 -9.758 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.640 -3.868 -8.989 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.667 -2.673 -9.879 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -4.047 -3.378 -8.367 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.219 -0.134 -7.375 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.190 0.887 -7.469 1.00 0.85 C ATOM 2382 C ARG B 72 -0.102 1.436 -8.886 1.00 1.12 C ATOM 2383 O ARG B 72 0.599 0.887 -9.734 1.00 1.44 O ATOM 2384 CB ARG B 72 1.172 0.334 -7.041 1.00 1.05 C ATOM 2385 CG ARG B 72 2.042 1.342 -6.297 1.00 1.32 C ATOM 2386 CD ARG B 72 2.289 2.600 -7.121 1.00 1.27 C ATOM 2387 NE ARG B 72 3.220 3.511 -6.460 1.00 1.61 N ATOM 2388 CZ ARG B 72 3.466 4.760 -6.853 1.00 2.00 C ATOM 2389 NH1 ARG B 72 2.798 5.292 -7.867 1.00 2.37 N ATOM 2390 NH2 ARG B 72 4.366 5.490 -6.206 1.00 2.67 N ATOM 0 H ARG B 72 -0.895 -1.083 -7.562 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.465 1.697 -6.793 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.016 -0.536 -6.404 1.00 1.05 H new ATOM 0 HB3 ARG B 72 1.708 -0.010 -7.926 1.00 1.05 H new ATOM 0 HG2 ARG B 72 1.561 1.613 -5.357 1.00 1.32 H new ATOM 0 HG3 ARG B 72 2.997 0.881 -6.045 1.00 1.32 H new ATOM 0 HD2 ARG B 72 2.685 2.322 -8.098 1.00 1.27 H new ATOM 0 HD3 ARG B 72 1.342 3.112 -7.295 1.00 1.27 H new ATOM 0 HE ARG B 72 3.717 3.166 -5.639 1.00 1.61 H new ATOM 0 HH11 ARG B 72 2.088 4.744 -8.354 1.00 2.37 H new ATOM 0 HH12 ARG B 72 2.994 6.249 -8.160 1.00 2.37 H new ATOM 0 HH21 ARG B 72 4.867 5.094 -5.410 1.00 2.67 H new ATOM 0 HH22 ARG B 72 4.557 6.447 -6.504 1.00 2.67 H new ATOM 2404 N LEU B 73 -0.827 2.510 -9.134 1.00 1.43 N ATOM 2405 CA LEU B 73 -0.810 3.155 -10.436 1.00 1.81 C ATOM 2406 C LEU B 73 0.193 4.303 -10.413 1.00 2.25 C ATOM 2407 O LEU B 73 0.507 4.833 -9.345 1.00 2.64 O ATOM 2408 CB LEU B 73 -2.207 3.667 -10.813 1.00 2.20 C ATOM 2409 CG LEU B 73 -3.141 2.640 -11.471 1.00 2.74 C ATOM 2410 CD1 LEU B 73 -2.492 2.028 -12.703 1.00 3.46 C ATOM 2411 CD2 LEU B 73 -3.534 1.553 -10.483 1.00 3.06 C ATOM 0 H LEU B 73 -1.437 2.957 -8.450 1.00 1.43 H new ATOM 0 HA LEU B 73 -0.511 2.427 -11.190 1.00 1.81 H new ATOM 0 HB2 LEU B 73 -2.690 4.044 -9.912 1.00 2.20 H new ATOM 0 HB3 LEU B 73 -2.092 4.513 -11.491 1.00 2.20 H new ATOM 0 HG LEU B 73 -4.045 3.163 -11.783 1.00 2.74 H new ATOM 0 HD11 LEU B 73 -3.173 1.304 -13.151 1.00 3.46 H new ATOM 0 HD12 LEU B 73 -2.270 2.813 -13.426 1.00 3.46 H new ATOM 0 HD13 LEU B 73 -1.567 1.527 -12.416 1.00 3.46 H new ATOM 0 HD21 LEU B 73 -4.195 0.838 -10.973 1.00 3.06 H new ATOM 0 HD22 LEU B 73 -2.639 1.039 -10.133 1.00 3.06 H new ATOM 0 HD23 LEU B 73 -4.050 2.002 -9.634 1.00 3.06 H new ATOM 2423 N ARG B 74 0.699 4.674 -11.577 1.00 2.57 N ATOM 2424 CA ARG B 74 1.677 5.753 -11.682 1.00 3.21 C ATOM 2425 C ARG B 74 0.997 7.116 -11.587 1.00 3.66 C ATOM 2426 O ARG B 74 0.102 7.429 -12.374 1.00 4.13 O ATOM 2427 CB ARG B 74 2.443 5.640 -13.003 1.00 3.52 C ATOM 2428 CG ARG B 74 3.343 4.415 -13.091 1.00 3.95 C ATOM 2429 CD ARG B 74 4.786 4.747 -12.739 1.00 3.89 C ATOM 2430 NE ARG B 74 5.027 4.722 -11.295 1.00 3.86 N ATOM 2431 CZ ARG B 74 5.381 5.784 -10.571 1.00 3.91 C ATOM 2432 NH1 ARG B 74 5.501 6.979 -11.136 1.00 3.94 N ATOM 2433 NH2 ARG B 74 5.615 5.649 -9.275 1.00 4.46 N ATOM 0 H ARG B 74 0.450 4.244 -12.468 1.00 2.57 H new ATOM 0 HA ARG B 74 2.378 5.662 -10.852 1.00 3.21 H new ATOM 0 HB2 ARG B 74 1.728 5.613 -13.825 1.00 3.52 H new ATOM 0 HB3 ARG B 74 3.050 6.535 -13.137 1.00 3.52 H new ATOM 0 HG2 ARG B 74 2.973 3.643 -12.417 1.00 3.95 H new ATOM 0 HG3 ARG B 74 3.300 4.004 -14.100 1.00 3.95 H new ATOM 0 HD2 ARG B 74 5.450 4.034 -13.228 1.00 3.89 H new ATOM 0 HD3 ARG B 74 5.035 5.734 -13.129 1.00 3.89 H new ATOM 0 HE ARG B 74 4.917 3.832 -10.810 1.00 3.86 H new ATOM 0 HH11 ARG B 74 5.322 7.092 -12.134 1.00 3.94 H new ATOM 0 HH12 ARG B 74 5.772 7.785 -10.572 1.00 3.94 H new ATOM 0 HH21 ARG B 74 5.524 4.734 -8.833 1.00 4.46 H new ATOM 0 HH22 ARG B 74 5.886 6.460 -8.719 1.00 4.46 H new ATOM 2447 N GLY B 75 1.410 7.916 -10.611 1.00 3.91 N ATOM 2448 CA GLY B 75 0.834 9.237 -10.440 1.00 4.54 C ATOM 2449 C GLY B 75 -0.437 9.225 -9.613 1.00 4.82 C ATOM 2450 O GLY B 75 -0.937 10.281 -9.217 1.00 5.30 O ATOM 0 H GLY B 75 2.134 7.674 -9.935 1.00 3.91 H new ATOM 0 HA2 GLY B 75 1.566 9.888 -9.962 1.00 4.54 H new ATOM 0 HA3 GLY B 75 0.620 9.664 -11.420 1.00 4.54 H new ATOM 2454 N GLY B 76 -0.962 8.035 -9.353 1.00 4.83 N ATOM 2455 CA GLY B 76 -2.179 7.913 -8.578 1.00 5.27 C ATOM 2456 C GLY B 76 -3.413 8.057 -9.446 1.00 5.46 C ATOM 2457 O GLY B 76 -4.427 8.605 -8.970 1.00 5.28 O ATOM 2458 OXT GLY B 76 -3.372 7.629 -10.616 1.00 6.13 O ATOM 0 H GLY B 76 -0.564 7.150 -9.667 1.00 4.83 H new ATOM 0 HA2 GLY B 76 -2.197 6.944 -8.078 1.00 5.27 H new ATOM 0 HA3 GLY B 76 -2.192 8.674 -7.798 1.00 5.27 H new TER 2462 GLY B 76