USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1048 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ -165:sc= 1.19 (180deg=-0.297) USER MOD Set 1.2: B 32 GLN : amide:sc= -2.73! K(o=-1.5!,f=-5.2) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -149:sc= 1.26 (180deg=-0.121) USER MOD Set 2.2: B 70 GLN : amide:sc= -1.49! C(o=-0.24!,f=-14!) USER MOD Set 3.1: A 70 GLN : amide:sc= -1.5! C(o=-0.24!,f=-14!) USER MOD Set 3.2: B 83 LYS NZ :NH3+ -161:sc= 1.26 (180deg=-0.124) USER MOD Set 4.1: A 32 GLN : amide:sc= -2.89! C(o=-1.7!,f=-5.8!) USER MOD Set 4.2: B 18 LYS NZ :NH3+ -169:sc= 1.14 (180deg=-0.311) USER MOD Single : A 15 MET CE :methyl 167:sc= -0.0551 (180deg=-0.337) USER MOD Single : A 17 ASN : amide:sc= -0.445 K(o=-0.44,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 0.121 (180deg=0.000862) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.295 USER MOD Single : A 27 GLN : amide:sc= -1.04 X(o=-1,f=-0.7) USER MOD Single : A 30 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 35 HIS : no HD1:sc= -0.002 X(o=-0.002,f=-0.064) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -14:sc= 1.02 USER MOD Single : A 43 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.3!) USER MOD Single : A 45 SER OG : rot -91:sc= 1.21 USER MOD Single : A 51 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.81) USER MOD Single : A 52 CYS SG : rot 77:sc= 1.14 USER MOD Single : A 55 THR OG1 : rot 77:sc= 0.951 USER MOD Single : A 60 THR OG1 : rot -45:sc= 0.976 USER MOD Single : A 64 SER OG : rot 76:sc= 0.927 USER MOD Single : A 71 THR OG1 : rot 171:sc= 0.00165 USER MOD Single : A 81 THR OG1 : rot -41:sc= 1.29 USER MOD Single : B 15 MET CE :methyl 167:sc= -0.0324 (180deg=-0.324) USER MOD Single : B 17 ASN : amide:sc= -0.441 K(o=-0.44,f=-2.7!) USER MOD Single : B 19 LYS NZ :NH3+ 149:sc= 0.122 (180deg=0.000694) USER MOD Single : B 23 TYR OH : rot 165:sc= -0.305 USER MOD Single : B 27 GLN : amide:sc= -1.04 X(o=-1,f=-0.71) USER MOD Single : B 30 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot -23:sc= 1.05 USER MOD Single : B 43 GLN : amide:sc= -2.42 X(o=-2.4,f=-2.1!) USER MOD Single : B 45 SER OG : rot -112:sc= 1.18 USER MOD Single : B 51 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.77) USER MOD Single : B 52 CYS SG : rot 77:sc= 1.13 USER MOD Single : B 55 THR OG1 : rot 77:sc= 0.963 USER MOD Single : B 60 THR OG1 : rot -46:sc= 0.967 USER MOD Single : B 64 SER OG : rot 76:sc= 0.91 USER MOD Single : B 71 THR OG1 : rot 174:sc= 0.0206 USER MOD Single : B 81 THR OG1 : rot -42:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 17.303 6.443 -1.226 1.00 2.26 N ATOM 2 CA MET A 15 16.276 7.511 -1.199 1.00 1.69 C ATOM 3 C MET A 15 15.119 7.153 -2.124 1.00 1.42 C ATOM 4 O MET A 15 14.895 7.804 -3.145 1.00 1.57 O ATOM 5 CB MET A 15 16.891 8.851 -1.622 1.00 1.82 C ATOM 6 CG MET A 15 18.013 9.326 -0.710 1.00 2.22 C ATOM 7 SD MET A 15 18.871 10.781 -1.349 1.00 3.04 S ATOM 8 CE MET A 15 17.539 11.978 -1.407 1.00 3.68 C ATOM 0 HA MET A 15 15.898 7.604 -0.181 1.00 1.69 H new ATOM 0 HB2 MET A 15 17.275 8.759 -2.638 1.00 1.82 H new ATOM 0 HB3 MET A 15 16.108 9.609 -1.644 1.00 1.82 H new ATOM 0 HG2 MET A 15 17.602 9.555 0.273 1.00 2.22 H new ATOM 0 HG3 MET A 15 18.731 8.517 -0.575 1.00 2.22 H new ATOM 0 HE1 MET A 15 17.952 12.975 -1.558 1.00 3.68 H new ATOM 0 HE2 MET A 15 16.867 11.735 -2.231 1.00 3.68 H new ATOM 0 HE3 MET A 15 16.986 11.953 -0.468 1.00 3.68 H new ATOM 20 N ASP A 16 14.386 6.106 -1.766 1.00 1.26 N ATOM 21 CA ASP A 16 13.280 5.635 -2.588 1.00 1.13 C ATOM 22 C ASP A 16 11.971 5.710 -1.826 1.00 0.92 C ATOM 23 O ASP A 16 11.847 5.165 -0.726 1.00 1.01 O ATOM 24 CB ASP A 16 13.509 4.194 -3.045 1.00 1.39 C ATOM 25 CG ASP A 16 14.690 4.056 -3.977 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.568 4.440 -5.158 1.00 2.40 O ATOM 27 OD2 ASP A 16 15.747 3.564 -3.531 1.00 2.28 O ATOM 0 H ASP A 16 14.538 5.568 -0.913 1.00 1.26 H new ATOM 0 HA ASP A 16 13.228 6.284 -3.463 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.666 3.561 -2.171 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.612 3.830 -3.546 1.00 1.39 H new ATOM 32 N ASN A 17 10.993 6.380 -2.421 1.00 0.78 N ATOM 33 CA ASN A 17 9.658 6.464 -1.842 1.00 0.74 C ATOM 34 C ASN A 17 9.001 5.091 -1.836 1.00 0.61 C ATOM 35 O ASN A 17 8.079 4.839 -1.066 1.00 0.65 O ATOM 36 CB ASN A 17 8.769 7.437 -2.628 1.00 0.92 C ATOM 37 CG ASN A 17 8.425 6.929 -4.021 1.00 1.56 C ATOM 38 OD1 ASN A 17 9.254 6.325 -4.703 1.00 2.52 O ATOM 39 ND2 ASN A 17 7.187 7.143 -4.440 1.00 1.71 N ATOM 0 H ASN A 17 11.099 6.875 -3.307 1.00 0.78 H new ATOM 0 HA ASN A 17 9.765 6.831 -0.821 1.00 0.74 H new ATOM 0 HB2 ASN A 17 7.848 7.610 -2.072 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.276 8.398 -2.712 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.893 6.803 -5.356 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.528 7.647 -3.847 1.00 1.71 H new ATOM 46 N LYS A 18 9.491 4.212 -2.703 1.00 0.59 N ATOM 47 CA LYS A 18 8.945 2.870 -2.844 1.00 0.62 C ATOM 48 C LYS A 18 9.006 2.118 -1.520 1.00 0.53 C ATOM 49 O LYS A 18 8.016 1.533 -1.085 1.00 0.48 O ATOM 50 CB LYS A 18 9.713 2.099 -3.921 1.00 0.82 C ATOM 51 CG LYS A 18 9.828 2.842 -5.248 1.00 1.09 C ATOM 52 CD LYS A 18 8.466 3.135 -5.866 1.00 1.04 C ATOM 53 CE LYS A 18 7.777 1.868 -6.350 1.00 1.44 C ATOM 54 NZ LYS A 18 8.541 1.201 -7.437 1.00 1.90 N ATOM 0 H LYS A 18 10.275 4.410 -3.325 1.00 0.59 H new ATOM 0 HA LYS A 18 7.900 2.956 -3.143 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.714 1.878 -3.552 1.00 0.82 H new ATOM 0 HB3 LYS A 18 9.218 1.143 -4.093 1.00 0.82 H new ATOM 0 HG2 LYS A 18 10.363 3.779 -5.092 1.00 1.09 H new ATOM 0 HG3 LYS A 18 10.420 2.248 -5.944 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.834 3.634 -5.131 1.00 1.04 H new ATOM 0 HD3 LYS A 18 8.587 3.824 -6.702 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.657 1.178 -5.515 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.777 2.113 -6.707 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.934 0.501 -7.910 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.853 1.912 -8.129 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.372 0.722 -7.034 1.00 1.90 H new ATOM 68 N LYS A 19 10.164 2.156 -0.871 1.00 0.60 N ATOM 69 CA LYS A 19 10.339 1.469 0.401 1.00 0.61 C ATOM 70 C LYS A 19 9.524 2.156 1.479 1.00 0.53 C ATOM 71 O LYS A 19 8.883 1.511 2.301 1.00 0.55 O ATOM 72 CB LYS A 19 11.808 1.454 0.829 1.00 0.77 C ATOM 73 CG LYS A 19 12.776 1.100 -0.281 1.00 0.82 C ATOM 74 CD LYS A 19 14.000 0.371 0.256 1.00 1.19 C ATOM 75 CE LYS A 19 14.743 1.191 1.298 1.00 1.06 C ATOM 76 NZ LYS A 19 15.902 0.448 1.864 1.00 1.49 N ATOM 0 H LYS A 19 10.991 2.653 -1.203 1.00 0.60 H new ATOM 0 HA LYS A 19 10.000 0.442 0.269 1.00 0.61 H new ATOM 0 HB2 LYS A 19 12.069 2.436 1.224 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.930 0.740 1.643 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.273 0.474 -1.018 1.00 0.82 H new ATOM 0 HG3 LYS A 19 13.089 2.009 -0.795 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.692 -0.578 0.694 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.673 0.138 -0.569 1.00 1.19 H new ATOM 0 HE2 LYS A 19 15.092 2.120 0.848 1.00 1.06 H new ATOM 0 HE3 LYS A 19 14.059 1.463 2.101 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 16.637 1.123 2.159 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.591 -0.106 2.687 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.290 -0.193 1.142 1.00 1.49 H new ATOM 90 N ARG A 20 9.544 3.477 1.447 1.00 0.54 N ATOM 91 CA ARG A 20 8.900 4.280 2.471 1.00 0.58 C ATOM 92 C ARG A 20 7.380 4.127 2.406 1.00 0.54 C ATOM 93 O ARG A 20 6.689 4.189 3.426 1.00 0.61 O ATOM 94 CB ARG A 20 9.337 5.734 2.315 1.00 0.70 C ATOM 95 CG ARG A 20 10.854 5.883 2.331 1.00 0.82 C ATOM 96 CD ARG A 20 11.294 7.325 2.135 1.00 1.01 C ATOM 97 NE ARG A 20 12.750 7.444 2.083 1.00 1.31 N ATOM 98 CZ ARG A 20 13.407 8.579 1.847 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.746 9.714 1.646 1.00 1.32 N ATOM 100 NH2 ARG A 20 14.732 8.578 1.820 1.00 2.34 N ATOM 0 H ARG A 20 10.004 4.020 0.716 1.00 0.54 H new ATOM 0 HA ARG A 20 9.207 3.932 3.458 1.00 0.58 H new ATOM 0 HB2 ARG A 20 8.944 6.131 1.379 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.906 6.330 3.120 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.243 5.512 3.279 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.286 5.264 1.545 1.00 0.82 H new ATOM 0 HD2 ARG A 20 10.864 7.714 1.212 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.908 7.937 2.950 1.00 1.01 H new ATOM 0 HE ARG A 20 13.301 6.600 2.238 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.726 9.722 1.672 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.258 10.578 1.466 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.245 7.711 1.979 1.00 2.34 H new ATOM 0 HH22 ARG A 20 15.239 9.444 1.640 1.00 2.34 H new ATOM 114 N LEU A 21 6.873 3.905 1.201 1.00 0.54 N ATOM 115 CA LEU A 21 5.468 3.586 1.001 1.00 0.59 C ATOM 116 C LEU A 21 5.151 2.213 1.580 1.00 0.57 C ATOM 117 O LEU A 21 4.110 2.014 2.203 1.00 0.64 O ATOM 118 CB LEU A 21 5.135 3.622 -0.494 1.00 0.64 C ATOM 119 CG LEU A 21 3.816 2.960 -0.907 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.641 3.550 -0.138 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.601 3.132 -2.396 1.00 0.61 C ATOM 0 H LEU A 21 7.420 3.941 0.341 1.00 0.54 H new ATOM 0 HA LEU A 21 4.859 4.328 1.517 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.112 4.663 -0.815 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.947 3.139 -1.038 1.00 0.64 H new ATOM 0 HG LEU A 21 3.876 1.898 -0.669 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.719 3.061 -0.452 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.790 3.393 0.930 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.573 4.619 -0.342 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.662 2.660 -2.685 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.562 4.194 -2.638 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.424 2.666 -2.939 1.00 0.61 H new ATOM 133 N ALA A 22 6.064 1.274 1.382 1.00 0.56 N ATOM 134 CA ALA A 22 5.893 -0.077 1.890 1.00 0.63 C ATOM 135 C ALA A 22 5.739 -0.078 3.405 1.00 0.51 C ATOM 136 O ALA A 22 4.994 -0.889 3.956 1.00 0.44 O ATOM 137 CB ALA A 22 7.064 -0.945 1.478 1.00 0.83 C ATOM 0 H ALA A 22 6.934 1.425 0.871 1.00 0.56 H new ATOM 0 HA ALA A 22 4.980 -0.488 1.458 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.923 -1.954 1.865 1.00 0.83 H new ATOM 0 HB2 ALA A 22 7.127 -0.979 0.390 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.986 -0.527 1.882 1.00 0.83 H new ATOM 143 N TYR A 23 6.436 0.840 4.074 1.00 0.62 N ATOM 144 CA TYR A 23 6.314 0.973 5.521 1.00 0.76 C ATOM 145 C TYR A 23 4.888 1.324 5.874 1.00 0.67 C ATOM 146 O TYR A 23 4.300 0.734 6.764 1.00 0.67 O ATOM 147 CB TYR A 23 7.219 2.070 6.079 1.00 1.11 C ATOM 148 CG TYR A 23 8.642 2.025 5.600 1.00 1.03 C ATOM 149 CD1 TYR A 23 9.264 0.830 5.273 1.00 1.86 C ATOM 150 CD2 TYR A 23 9.362 3.195 5.478 1.00 1.46 C ATOM 151 CE1 TYR A 23 10.570 0.812 4.834 1.00 2.48 C ATOM 152 CE2 TYR A 23 10.665 3.188 5.045 1.00 1.82 C ATOM 153 CZ TYR A 23 11.269 1.994 4.721 1.00 2.23 C ATOM 154 OH TYR A 23 12.572 1.983 4.279 1.00 2.99 O ATOM 0 H TYR A 23 7.085 1.496 3.640 1.00 0.62 H new ATOM 0 HA TYR A 23 6.611 0.020 5.957 1.00 0.76 H new ATOM 0 HB2 TYR A 23 6.794 3.039 5.817 1.00 1.11 H new ATOM 0 HB3 TYR A 23 7.216 2.004 7.167 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.719 -0.098 5.363 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.892 4.135 5.728 1.00 1.46 H new ATOM 0 HE1 TYR A 23 11.044 -0.125 4.580 1.00 2.48 H new ATOM 0 HE2 TYR A 23 11.213 4.114 4.959 1.00 1.82 H new ATOM 0 HH TYR A 23 12.840 2.892 4.029 1.00 2.99 H new ATOM 164 N ALA A 24 4.337 2.288 5.152 1.00 0.72 N ATOM 165 CA ALA A 24 2.975 2.745 5.383 1.00 0.87 C ATOM 166 C ALA A 24 1.995 1.583 5.368 1.00 0.75 C ATOM 167 O ALA A 24 1.038 1.540 6.143 1.00 0.84 O ATOM 168 CB ALA A 24 2.583 3.747 4.318 1.00 1.14 C ATOM 0 H ALA A 24 4.818 2.773 4.394 1.00 0.72 H new ATOM 0 HA ALA A 24 2.938 3.215 6.366 1.00 0.87 H new ATOM 0 HB1 ALA A 24 1.562 4.086 4.495 1.00 1.14 H new ATOM 0 HB2 ALA A 24 3.260 4.600 4.354 1.00 1.14 H new ATOM 0 HB3 ALA A 24 2.644 3.277 3.336 1.00 1.14 H new ATOM 174 N ILE A 25 2.271 0.634 4.500 1.00 0.62 N ATOM 175 CA ILE A 25 1.376 -0.479 4.269 1.00 0.71 C ATOM 176 C ILE A 25 1.618 -1.567 5.307 1.00 0.61 C ATOM 177 O ILE A 25 0.694 -2.012 5.978 1.00 0.66 O ATOM 178 CB ILE A 25 1.561 -1.049 2.847 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.490 0.082 1.813 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.497 -2.099 2.558 1.00 0.91 C ATOM 181 CD1 ILE A 25 1.806 -0.354 0.397 1.00 0.89 C ATOM 0 H ILE A 25 3.120 0.612 3.936 1.00 0.62 H new ATOM 0 HA ILE A 25 0.351 -0.120 4.361 1.00 0.71 H new ATOM 0 HB ILE A 25 2.541 -1.521 2.782 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.490 0.516 1.834 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.186 0.869 2.103 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.639 -2.493 1.552 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.581 -2.911 3.281 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.491 -1.646 2.634 1.00 0.91 H new ATOM 0 HD11 ILE A 25 1.734 0.503 -0.272 1.00 0.89 H new ATOM 0 HD12 ILE A 25 2.817 -0.761 0.358 1.00 0.89 H new ATOM 0 HD13 ILE A 25 1.095 -1.119 0.085 1.00 0.89 H new ATOM 193 N ILE A 26 2.872 -1.966 5.451 1.00 0.53 N ATOM 194 CA ILE A 26 3.246 -2.986 6.421 1.00 0.53 C ATOM 195 C ILE A 26 2.958 -2.520 7.846 1.00 0.51 C ATOM 196 O ILE A 26 2.243 -3.178 8.590 1.00 0.53 O ATOM 197 CB ILE A 26 4.741 -3.349 6.292 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.000 -4.052 4.955 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.195 -4.217 7.461 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.458 -4.379 4.711 1.00 0.78 C ATOM 0 H ILE A 26 3.652 -1.598 4.906 1.00 0.53 H new ATOM 0 HA ILE A 26 2.645 -3.871 6.210 1.00 0.53 H new ATOM 0 HB ILE A 26 5.324 -2.428 6.318 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.420 -4.974 4.921 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.639 -3.418 4.145 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.252 -4.459 7.346 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.046 -3.676 8.395 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.612 -5.138 7.478 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.563 -4.875 3.746 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.042 -3.459 4.712 1.00 0.78 H new ATOM 0 HD13 ILE A 26 6.820 -5.039 5.499 1.00 0.78 H new ATOM 212 N GLN A 27 3.494 -1.360 8.191 1.00 0.54 N ATOM 213 CA GLN A 27 3.436 -0.832 9.550 1.00 0.62 C ATOM 214 C GLN A 27 2.011 -0.574 10.030 1.00 0.55 C ATOM 215 O GLN A 27 1.589 -1.104 11.059 1.00 0.57 O ATOM 216 CB GLN A 27 4.237 0.467 9.623 1.00 0.79 C ATOM 217 CG GLN A 27 5.739 0.262 9.698 1.00 0.89 C ATOM 218 CD GLN A 27 6.172 -0.428 10.980 1.00 1.10 C ATOM 219 OE1 GLN A 27 6.445 0.225 11.989 1.00 1.58 O ATOM 220 NE2 GLN A 27 6.246 -1.750 10.947 1.00 1.34 N ATOM 0 H GLN A 27 3.985 -0.753 7.534 1.00 0.54 H new ATOM 0 HA GLN A 27 3.863 -1.590 10.206 1.00 0.62 H new ATOM 0 HB2 GLN A 27 4.007 1.074 8.747 1.00 0.79 H new ATOM 0 HB3 GLN A 27 3.914 1.033 10.497 1.00 0.79 H new ATOM 0 HG2 GLN A 27 6.064 -0.331 8.843 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.238 1.228 9.624 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.011 -2.253 10.091 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.538 -2.265 11.777 1.00 1.34 H new ATOM 229 N PHE A 28 1.272 0.241 9.295 1.00 0.52 N ATOM 230 CA PHE A 28 -0.025 0.705 9.768 1.00 0.51 C ATOM 231 C PHE A 28 -1.089 -0.366 9.638 1.00 0.43 C ATOM 232 O PHE A 28 -1.837 -0.607 10.579 1.00 0.42 O ATOM 233 CB PHE A 28 -0.437 1.976 9.040 1.00 0.60 C ATOM 234 CG PHE A 28 0.463 3.130 9.365 1.00 0.90 C ATOM 235 CD1 PHE A 28 1.596 3.370 8.612 1.00 1.60 C ATOM 236 CD2 PHE A 28 0.182 3.959 10.436 1.00 1.62 C ATOM 237 CE1 PHE A 28 2.438 4.419 8.919 1.00 1.98 C ATOM 238 CE2 PHE A 28 1.017 5.012 10.747 1.00 1.95 C ATOM 239 CZ PHE A 28 2.148 5.243 9.988 1.00 1.83 C ATOM 0 H PHE A 28 1.543 0.593 8.377 1.00 0.52 H new ATOM 0 HA PHE A 28 0.073 0.932 10.830 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -0.423 1.798 7.965 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -1.463 2.230 9.308 1.00 0.60 H new ATOM 0 HD1 PHE A 28 1.825 2.729 7.773 1.00 1.60 H new ATOM 0 HD2 PHE A 28 -0.699 3.780 11.034 1.00 1.62 H new ATOM 0 HE1 PHE A 28 3.322 4.595 8.324 1.00 1.98 H new ATOM 0 HE2 PHE A 28 0.787 5.655 11.583 1.00 1.95 H new ATOM 0 HZ PHE A 28 2.804 6.066 10.230 1.00 1.83 H new ATOM 249 N LEU A 29 -1.151 -1.015 8.484 1.00 0.45 N ATOM 250 CA LEU A 29 -2.085 -2.122 8.293 1.00 0.45 C ATOM 251 C LEU A 29 -1.843 -3.226 9.327 1.00 0.45 C ATOM 252 O LEU A 29 -2.782 -3.893 9.758 1.00 0.48 O ATOM 253 CB LEU A 29 -1.994 -2.690 6.871 1.00 0.53 C ATOM 254 CG LEU A 29 -2.776 -1.925 5.788 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.348 -0.464 5.702 1.00 0.57 C ATOM 256 CD2 LEU A 29 -2.595 -2.603 4.439 1.00 0.70 C ATOM 0 H LEU A 29 -0.573 -0.799 7.672 1.00 0.45 H new ATOM 0 HA LEU A 29 -3.092 -1.730 8.436 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.944 -2.721 6.580 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -2.350 -3.720 6.889 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.830 -1.943 6.067 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.925 0.039 4.926 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.526 0.024 6.660 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.287 -0.409 5.459 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -3.152 -2.055 3.679 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -1.537 -2.614 4.176 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.966 -3.626 4.493 1.00 0.70 H new ATOM 268 N HIS A 30 -0.584 -3.401 9.733 1.00 0.47 N ATOM 269 CA HIS A 30 -0.231 -4.346 10.796 1.00 0.53 C ATOM 270 C HIS A 30 -0.966 -4.009 12.090 1.00 0.47 C ATOM 271 O HIS A 30 -1.702 -4.830 12.635 1.00 0.49 O ATOM 272 CB HIS A 30 1.284 -4.321 11.040 1.00 0.67 C ATOM 273 CG HIS A 30 1.733 -5.052 12.269 1.00 0.93 C ATOM 274 ND1 HIS A 30 1.973 -4.420 13.472 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.997 -6.363 12.474 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.367 -5.311 14.361 1.00 1.37 C ATOM 277 NE2 HIS A 30 2.389 -6.493 13.781 1.00 1.41 N ATOM 0 H HIS A 30 0.212 -2.898 9.340 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.530 -5.344 10.477 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.785 -4.753 10.174 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.610 -3.283 11.112 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.863 -3.421 13.646 1.00 1.11 H new ATOM 0 HD2 HIS A 30 1.915 -7.156 11.746 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.627 -5.106 15.389 1.00 1.37 H new ATOM 286 N ASP A 31 -0.757 -2.794 12.574 1.00 0.48 N ATOM 287 CA ASP A 31 -1.362 -2.355 13.825 1.00 0.51 C ATOM 288 C ASP A 31 -2.866 -2.189 13.666 1.00 0.45 C ATOM 289 O ASP A 31 -3.620 -2.316 14.627 1.00 0.49 O ATOM 290 CB ASP A 31 -0.717 -1.052 14.302 1.00 0.63 C ATOM 291 CG ASP A 31 0.673 -1.273 14.869 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.534 -1.839 14.159 1.00 1.98 O ATOM 293 OD2 ASP A 31 0.908 -0.897 16.037 1.00 1.79 O ATOM 0 H ASP A 31 -0.172 -2.093 12.120 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.186 -3.120 14.581 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -0.660 -0.351 13.469 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -1.349 -0.593 15.063 1.00 0.63 H new ATOM 298 N GLN A 32 -3.292 -1.922 12.440 1.00 0.42 N ATOM 299 CA GLN A 32 -4.707 -1.865 12.100 1.00 0.43 C ATOM 300 C GLN A 32 -5.375 -3.203 12.405 1.00 0.38 C ATOM 301 O GLN A 32 -6.496 -3.252 12.913 1.00 0.43 O ATOM 302 CB GLN A 32 -4.860 -1.528 10.619 1.00 0.52 C ATOM 303 CG GLN A 32 -6.295 -1.358 10.155 1.00 0.57 C ATOM 304 CD GLN A 32 -6.389 -1.146 8.656 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.281 -0.458 8.169 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.476 -1.751 7.911 1.00 1.31 N ATOM 0 H GLN A 32 -2.668 -1.739 11.654 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.190 -1.092 12.697 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.313 -0.608 10.411 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.393 -2.317 10.030 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.872 -2.240 10.433 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.744 -0.508 10.670 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.750 -2.315 8.352 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.499 -1.653 6.896 1.00 1.31 H new ATOM 315 N LEU A 33 -4.667 -4.288 12.100 1.00 0.36 N ATOM 316 CA LEU A 33 -5.148 -5.629 12.404 1.00 0.42 C ATOM 317 C LEU A 33 -5.223 -5.825 13.907 1.00 0.46 C ATOM 318 O LEU A 33 -6.169 -6.412 14.424 1.00 0.54 O ATOM 319 CB LEU A 33 -4.223 -6.686 11.798 1.00 0.53 C ATOM 320 CG LEU A 33 -4.050 -6.617 10.285 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.217 -7.787 9.793 1.00 1.22 C ATOM 322 CD2 LEU A 33 -5.409 -6.584 9.603 1.00 0.83 C ATOM 0 H LEU A 33 -3.756 -4.262 11.641 1.00 0.36 H new ATOM 0 HA LEU A 33 -6.142 -5.742 11.971 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -3.241 -6.594 12.263 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -4.608 -7.672 12.058 1.00 0.53 H new ATOM 0 HG LEU A 33 -3.520 -5.699 10.031 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -3.103 -7.723 8.711 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -2.234 -7.758 10.264 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -3.715 -8.722 10.051 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.273 -6.535 8.523 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.966 -7.486 9.858 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -5.964 -5.708 9.939 1.00 0.83 H new ATOM 334 N ARG A 34 -4.225 -5.308 14.605 1.00 0.47 N ATOM 335 CA ARG A 34 -4.165 -5.423 16.055 1.00 0.58 C ATOM 336 C ARG A 34 -5.292 -4.618 16.698 1.00 0.58 C ATOM 337 O ARG A 34 -5.741 -4.930 17.799 1.00 0.69 O ATOM 338 CB ARG A 34 -2.808 -4.943 16.573 1.00 0.69 C ATOM 339 CG ARG A 34 -1.615 -5.602 15.893 1.00 1.40 C ATOM 340 CD ARG A 34 -1.637 -7.117 16.038 1.00 1.45 C ATOM 341 NE ARG A 34 -1.540 -7.545 17.434 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.515 -8.822 17.819 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.573 -9.793 16.914 1.00 2.19 N ATOM 344 NH2 ARG A 34 -1.428 -9.129 19.106 1.00 3.49 N ATOM 0 H ARG A 34 -3.442 -4.803 14.190 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.288 -6.472 16.324 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.740 -3.864 16.436 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.752 -5.133 17.645 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.611 -5.340 14.835 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -0.692 -5.211 16.322 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.558 -7.507 15.604 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -0.811 -7.546 15.471 1.00 1.45 H new ATOM 0 HE ARG A 34 -1.489 -6.825 18.155 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -1.637 -9.563 15.922 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.554 -10.769 17.211 1.00 2.19 H new ATOM 0 HH21 ARG A 34 -1.380 -8.388 19.805 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -1.409 -10.106 19.397 1.00 3.49 H new ATOM 358 N HIS A 35 -5.754 -3.588 15.994 1.00 0.53 N ATOM 359 CA HIS A 35 -6.855 -2.758 16.476 1.00 0.58 C ATOM 360 C HIS A 35 -8.203 -3.360 16.086 1.00 0.58 C ATOM 361 O HIS A 35 -9.254 -2.934 16.569 1.00 0.74 O ATOM 362 CB HIS A 35 -6.757 -1.333 15.917 1.00 0.59 C ATOM 363 CG HIS A 35 -5.557 -0.571 16.387 1.00 1.15 C ATOM 364 ND1 HIS A 35 -4.841 0.283 15.573 1.00 1.98 N ATOM 365 CD2 HIS A 35 -4.948 -0.529 17.596 1.00 1.61 C ATOM 366 CE1 HIS A 35 -3.846 0.811 16.259 1.00 2.68 C ATOM 367 NE2 HIS A 35 -3.889 0.336 17.489 1.00 2.42 N ATOM 0 H HIS A 35 -5.383 -3.308 15.086 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.780 -2.720 17.563 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.739 -1.382 14.828 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.655 -0.783 16.196 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.242 -1.075 18.480 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.119 1.513 15.878 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.240 0.574 18.239 1.00 2.42 H new ATOM 376 N GLY A 36 -8.161 -4.353 15.206 1.00 0.49 N ATOM 377 CA GLY A 36 -9.375 -4.991 14.737 1.00 0.51 C ATOM 378 C GLY A 36 -10.151 -4.115 13.774 1.00 0.47 C ATOM 379 O GLY A 36 -11.381 -4.076 13.820 1.00 0.53 O ATOM 0 H GLY A 36 -7.301 -4.729 14.807 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.122 -5.931 14.246 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.007 -5.237 15.591 1.00 0.51 H new ATOM 383 N GLY A 37 -9.430 -3.414 12.905 1.00 0.41 N ATOM 384 CA GLY A 37 -10.064 -2.506 11.965 1.00 0.40 C ATOM 385 C GLY A 37 -10.972 -3.216 10.975 1.00 0.39 C ATOM 386 O GLY A 37 -12.135 -2.851 10.819 1.00 0.52 O ATOM 0 H GLY A 37 -8.413 -3.459 12.835 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.645 -1.767 12.517 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -9.294 -1.962 11.418 1.00 0.40 H new ATOM 390 N LEU A 38 -10.442 -4.230 10.309 1.00 0.36 N ATOM 391 CA LEU A 38 -11.205 -4.975 9.312 1.00 0.41 C ATOM 392 C LEU A 38 -11.885 -6.181 9.953 1.00 0.49 C ATOM 393 O LEU A 38 -11.705 -6.444 11.144 1.00 0.83 O ATOM 394 CB LEU A 38 -10.297 -5.450 8.163 1.00 0.44 C ATOM 395 CG LEU A 38 -9.790 -4.371 7.191 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.951 -3.601 6.582 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.821 -3.422 7.875 1.00 0.47 C ATOM 0 H LEU A 38 -9.485 -4.559 10.439 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.963 -4.305 8.906 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.431 -5.950 8.598 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.841 -6.198 7.587 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.254 -4.877 6.388 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.567 -2.844 5.898 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.597 -4.288 6.036 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.523 -3.118 7.374 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.481 -2.672 7.161 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.322 -2.929 8.709 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.964 -3.983 8.247 1.00 0.47 H new ATOM 409 N SER A 39 -12.670 -6.905 9.167 1.00 0.47 N ATOM 410 CA SER A 39 -13.254 -8.159 9.622 1.00 0.54 C ATOM 411 C SER A 39 -12.161 -9.222 9.700 1.00 0.48 C ATOM 412 O SER A 39 -11.128 -9.077 9.055 1.00 0.46 O ATOM 413 CB SER A 39 -14.371 -8.601 8.672 1.00 0.67 C ATOM 414 OG SER A 39 -15.007 -9.785 9.129 1.00 1.42 O ATOM 0 H SER A 39 -12.917 -6.646 8.212 1.00 0.47 H new ATOM 0 HA SER A 39 -13.689 -8.020 10.612 1.00 0.54 H new ATOM 0 HB2 SER A 39 -15.108 -7.803 8.580 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.958 -8.770 7.677 1.00 0.67 H new ATOM 0 HG SER A 39 -15.716 -10.039 8.501 1.00 1.42 H new ATOM 420 N SER A 40 -12.378 -10.273 10.482 1.00 0.60 N ATOM 421 CA SER A 40 -11.343 -11.280 10.733 1.00 0.61 C ATOM 422 C SER A 40 -10.746 -11.815 9.429 1.00 0.53 C ATOM 423 O SER A 40 -9.526 -11.843 9.268 1.00 0.50 O ATOM 424 CB SER A 40 -11.921 -12.429 11.558 1.00 0.77 C ATOM 425 OG SER A 40 -10.902 -13.289 12.044 1.00 1.63 O ATOM 0 H SER A 40 -13.263 -10.454 10.956 1.00 0.60 H new ATOM 0 HA SER A 40 -10.540 -10.800 11.292 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.488 -12.026 12.397 1.00 0.77 H new ATOM 0 HB3 SER A 40 -12.619 -13.001 10.947 1.00 0.77 H new ATOM 0 HG SER A 40 -10.063 -13.101 11.574 1.00 1.63 H new ATOM 431 N ASP A 41 -11.610 -12.211 8.497 1.00 0.57 N ATOM 432 CA ASP A 41 -11.168 -12.761 7.214 1.00 0.58 C ATOM 433 C ASP A 41 -10.276 -11.773 6.476 1.00 0.53 C ATOM 434 O ASP A 41 -9.248 -12.144 5.911 1.00 0.56 O ATOM 435 CB ASP A 41 -12.373 -13.115 6.339 1.00 0.71 C ATOM 436 CG ASP A 41 -13.221 -14.217 6.931 1.00 1.25 C ATOM 437 OD1 ASP A 41 -14.042 -13.927 7.827 1.00 2.20 O ATOM 438 OD2 ASP A 41 -13.080 -15.382 6.508 1.00 1.69 O ATOM 0 H ASP A 41 -12.623 -12.162 8.605 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.595 -13.665 7.419 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.987 -12.226 6.197 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -12.023 -13.421 5.353 1.00 0.71 H new ATOM 443 N ALA A 42 -10.671 -10.509 6.499 1.00 0.51 N ATOM 444 CA ALA A 42 -9.912 -9.456 5.845 1.00 0.51 C ATOM 445 C ALA A 42 -8.639 -9.135 6.625 1.00 0.47 C ATOM 446 O ALA A 42 -7.611 -8.788 6.043 1.00 0.52 O ATOM 447 CB ALA A 42 -10.777 -8.216 5.704 1.00 0.54 C ATOM 0 H ALA A 42 -11.518 -10.187 6.967 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.617 -9.801 4.854 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -10.206 -7.428 5.213 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.657 -8.452 5.106 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -11.090 -7.876 6.691 1.00 0.54 H new ATOM 453 N GLN A 43 -8.720 -9.264 7.943 1.00 0.44 N ATOM 454 CA GLN A 43 -7.593 -8.992 8.825 1.00 0.45 C ATOM 455 C GLN A 43 -6.420 -9.912 8.528 1.00 0.45 C ATOM 456 O GLN A 43 -5.364 -9.464 8.086 1.00 0.48 O ATOM 457 CB GLN A 43 -8.010 -9.152 10.285 1.00 0.49 C ATOM 458 CG GLN A 43 -8.771 -7.957 10.836 1.00 0.82 C ATOM 459 CD GLN A 43 -9.117 -8.108 12.302 1.00 0.85 C ATOM 460 OE1 GLN A 43 -8.359 -7.701 13.173 1.00 1.56 O ATOM 461 NE2 GLN A 43 -10.269 -8.693 12.584 1.00 1.12 N ATOM 0 H GLN A 43 -9.566 -9.559 8.429 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.278 -7.964 8.647 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.631 -10.043 10.381 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -7.120 -9.317 10.892 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -8.172 -7.056 10.699 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.688 -7.820 10.263 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -10.874 -9.019 11.830 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -10.553 -8.818 13.556 1.00 1.12 H new ATOM 470 N GLU A 44 -6.617 -11.195 8.785 1.00 0.49 N ATOM 471 CA GLU A 44 -5.608 -12.209 8.486 1.00 0.54 C ATOM 472 C GLU A 44 -5.117 -12.093 7.040 1.00 0.51 C ATOM 473 O GLU A 44 -3.952 -12.367 6.745 1.00 0.50 O ATOM 474 CB GLU A 44 -6.158 -13.618 8.741 1.00 0.68 C ATOM 475 CG GLU A 44 -6.210 -14.017 10.213 1.00 1.20 C ATOM 476 CD GLU A 44 -7.234 -13.242 11.020 1.00 1.65 C ATOM 477 OE1 GLU A 44 -6.888 -12.176 11.567 1.00 2.36 O ATOM 478 OE2 GLU A 44 -8.391 -13.707 11.130 1.00 2.20 O ATOM 0 H GLU A 44 -7.471 -11.565 9.203 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.762 -12.036 9.152 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.163 -13.684 8.323 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -5.542 -14.338 8.203 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -6.435 -15.081 10.284 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -5.225 -13.869 10.655 1.00 1.20 H new ATOM 485 N SER A 45 -6.005 -11.663 6.147 1.00 0.54 N ATOM 486 CA SER A 45 -5.660 -11.488 4.744 1.00 0.59 C ATOM 487 C SER A 45 -4.596 -10.394 4.573 1.00 0.55 C ATOM 488 O SER A 45 -3.670 -10.545 3.773 1.00 0.58 O ATOM 489 CB SER A 45 -6.915 -11.154 3.931 1.00 0.71 C ATOM 490 OG SER A 45 -6.669 -11.242 2.537 1.00 1.04 O ATOM 0 H SER A 45 -6.972 -11.429 6.374 1.00 0.54 H new ATOM 0 HA SER A 45 -5.241 -12.423 4.372 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.719 -11.837 4.204 1.00 0.71 H new ATOM 0 HB3 SER A 45 -7.254 -10.148 4.179 1.00 0.71 H new ATOM 0 HG SER A 45 -6.380 -10.368 2.200 1.00 1.04 H new ATOM 496 N LEU A 46 -4.717 -9.303 5.332 1.00 0.56 N ATOM 497 CA LEU A 46 -3.716 -8.237 5.298 1.00 0.60 C ATOM 498 C LEU A 46 -2.373 -8.758 5.773 1.00 0.50 C ATOM 499 O LEU A 46 -1.341 -8.440 5.197 1.00 0.48 O ATOM 500 CB LEU A 46 -4.112 -7.042 6.173 1.00 0.74 C ATOM 501 CG LEU A 46 -5.245 -6.163 5.640 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.407 -4.914 6.491 1.00 1.28 C ATOM 503 CD2 LEU A 46 -4.989 -5.779 4.192 1.00 1.14 C ATOM 0 H LEU A 46 -5.493 -9.136 5.973 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.651 -7.903 4.263 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.402 -7.417 7.155 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.231 -6.416 6.318 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.169 -6.739 5.691 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.218 -4.305 6.092 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.638 -5.200 7.517 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.481 -4.340 6.475 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.806 -5.154 3.831 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.052 -5.227 4.122 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.925 -6.680 3.582 1.00 1.14 H new ATOM 515 N GLU A 47 -2.400 -9.567 6.822 1.00 0.49 N ATOM 516 CA GLU A 47 -1.182 -10.101 7.414 1.00 0.48 C ATOM 517 C GLU A 47 -0.407 -10.942 6.399 1.00 0.43 C ATOM 518 O GLU A 47 0.818 -10.850 6.309 1.00 0.45 O ATOM 519 CB GLU A 47 -1.528 -10.917 8.660 1.00 0.55 C ATOM 520 CG GLU A 47 -0.318 -11.473 9.392 1.00 0.81 C ATOM 521 CD GLU A 47 -0.688 -12.116 10.710 1.00 1.06 C ATOM 522 OE1 GLU A 47 -1.176 -13.268 10.701 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.504 -11.470 11.763 1.00 1.51 O ATOM 0 H GLU A 47 -3.258 -9.870 7.283 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.539 -9.272 7.710 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.098 -10.290 9.346 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.177 -11.744 8.371 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.180 -12.208 8.759 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.396 -10.669 9.571 1.00 0.81 H new ATOM 530 N VAL A 48 -1.134 -11.737 5.617 1.00 0.41 N ATOM 531 CA VAL A 48 -0.524 -12.518 4.545 1.00 0.42 C ATOM 532 C VAL A 48 0.091 -11.591 3.500 1.00 0.41 C ATOM 533 O VAL A 48 1.212 -11.809 3.033 1.00 0.43 O ATOM 534 CB VAL A 48 -1.555 -13.443 3.860 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.910 -14.247 2.741 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.194 -14.372 4.874 1.00 0.49 C ATOM 0 H VAL A 48 -2.143 -11.857 5.706 1.00 0.41 H new ATOM 0 HA VAL A 48 0.253 -13.137 4.993 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.331 -12.814 3.424 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.658 -14.889 2.276 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.501 -13.567 1.994 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.108 -14.862 3.150 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.917 -15.016 4.373 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.424 -14.986 5.341 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.701 -13.783 5.638 1.00 0.49 H new ATOM 546 N ALA A 49 -0.651 -10.545 3.153 1.00 0.41 N ATOM 547 CA ALA A 49 -0.186 -9.554 2.193 1.00 0.43 C ATOM 548 C ALA A 49 1.071 -8.858 2.694 1.00 0.43 C ATOM 549 O ALA A 49 2.020 -8.660 1.944 1.00 0.48 O ATOM 550 CB ALA A 49 -1.276 -8.530 1.924 1.00 0.44 C ATOM 0 H ALA A 49 -1.583 -10.362 3.526 1.00 0.41 H new ATOM 0 HA ALA A 49 0.055 -10.070 1.264 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.915 -7.795 1.205 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.155 -9.032 1.520 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.541 -8.028 2.854 1.00 0.44 H new ATOM 556 N ILE A 50 1.063 -8.502 3.972 1.00 0.40 N ATOM 557 CA ILE A 50 2.180 -7.813 4.604 1.00 0.40 C ATOM 558 C ILE A 50 3.474 -8.614 4.476 1.00 0.38 C ATOM 559 O ILE A 50 4.514 -8.069 4.102 1.00 0.41 O ATOM 560 CB ILE A 50 1.879 -7.530 6.094 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.781 -6.467 6.214 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.135 -7.090 6.831 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.348 -6.193 7.638 1.00 0.61 C ATOM 0 H ILE A 50 0.280 -8.683 4.600 1.00 0.40 H new ATOM 0 HA ILE A 50 2.313 -6.864 4.084 1.00 0.40 H new ATOM 0 HB ILE A 50 1.528 -8.453 6.557 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.137 -5.539 5.768 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.086 -6.787 5.636 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.895 -6.898 7.877 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.887 -7.877 6.770 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.525 -6.180 6.375 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.431 -5.430 7.641 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.040 -7.109 8.083 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.202 -5.842 8.217 1.00 0.61 H new ATOM 575 N GLN A 51 3.402 -9.911 4.764 1.00 0.39 N ATOM 576 CA GLN A 51 4.570 -10.782 4.658 1.00 0.43 C ATOM 577 C GLN A 51 5.093 -10.809 3.225 1.00 0.43 C ATOM 578 O GLN A 51 6.304 -10.790 2.984 1.00 0.47 O ATOM 579 CB GLN A 51 4.227 -12.204 5.111 1.00 0.50 C ATOM 580 CG GLN A 51 3.723 -12.287 6.543 1.00 0.78 C ATOM 581 CD GLN A 51 4.695 -11.697 7.547 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.912 -11.711 7.345 1.00 1.84 O ATOM 583 NE2 GLN A 51 4.165 -11.176 8.641 1.00 1.35 N ATOM 0 H GLN A 51 2.551 -10.381 5.072 1.00 0.39 H new ATOM 0 HA GLN A 51 5.347 -10.382 5.310 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.469 -12.615 4.444 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.113 -12.831 5.011 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.769 -11.764 6.618 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.535 -13.330 6.797 1.00 0.78 H new ATOM 0 HE21 GLN A 51 3.153 -11.184 8.771 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.768 -10.766 9.355 1.00 1.35 H new ATOM 592 N CYS A 52 4.168 -10.829 2.277 1.00 0.45 N ATOM 593 CA CYS A 52 4.517 -10.850 0.867 1.00 0.53 C ATOM 594 C CYS A 52 5.104 -9.505 0.434 1.00 0.53 C ATOM 595 O CYS A 52 6.077 -9.457 -0.318 1.00 0.60 O ATOM 596 CB CYS A 52 3.284 -11.194 0.036 1.00 0.59 C ATOM 597 SG CYS A 52 2.530 -12.778 0.467 1.00 0.69 S ATOM 0 H CYS A 52 3.165 -10.831 2.462 1.00 0.45 H new ATOM 0 HA CYS A 52 5.277 -11.614 0.703 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.543 -10.404 0.159 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.561 -11.209 -1.018 1.00 0.59 H new ATOM 0 HG CYS A 52 1.853 -12.651 1.569 1.00 0.69 H new ATOM 603 N LEU A 53 4.520 -8.418 0.927 1.00 0.50 N ATOM 604 CA LEU A 53 5.005 -7.075 0.626 1.00 0.54 C ATOM 605 C LEU A 53 6.403 -6.872 1.193 1.00 0.51 C ATOM 606 O LEU A 53 7.264 -6.274 0.547 1.00 0.58 O ATOM 607 CB LEU A 53 4.050 -6.022 1.195 1.00 0.63 C ATOM 608 CG LEU A 53 2.657 -5.998 0.562 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.727 -5.105 1.364 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.731 -5.519 -0.880 1.00 0.61 C ATOM 0 H LEU A 53 3.705 -8.441 1.540 1.00 0.50 H new ATOM 0 HA LEU A 53 5.048 -6.962 -0.457 1.00 0.54 H new ATOM 0 HB2 LEU A 53 3.942 -6.193 2.266 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.504 -5.039 1.073 1.00 0.63 H new ATOM 0 HG LEU A 53 2.261 -7.013 0.569 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.740 -5.098 0.901 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.647 -5.484 2.383 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.125 -4.090 1.385 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.730 -5.509 -1.312 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.148 -4.512 -0.908 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.368 -6.192 -1.455 1.00 0.61 H new ATOM 622 N GLU A 54 6.619 -7.384 2.400 1.00 0.47 N ATOM 623 CA GLU A 54 7.926 -7.330 3.043 1.00 0.51 C ATOM 624 C GLU A 54 8.973 -8.016 2.175 1.00 0.56 C ATOM 625 O GLU A 54 10.029 -7.450 1.888 1.00 0.65 O ATOM 626 CB GLU A 54 7.862 -8.000 4.422 1.00 0.56 C ATOM 627 CG GLU A 54 9.204 -8.080 5.130 1.00 0.73 C ATOM 628 CD GLU A 54 9.121 -8.768 6.475 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.824 -8.093 7.481 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.363 -9.991 6.534 1.00 1.65 O ATOM 0 H GLU A 54 5.899 -7.845 2.956 1.00 0.47 H new ATOM 0 HA GLU A 54 8.210 -6.285 3.170 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.163 -7.449 5.051 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.462 -9.007 4.307 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.912 -8.615 4.497 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.597 -7.073 5.267 1.00 0.73 H new ATOM 637 N THR A 55 8.656 -9.229 1.745 1.00 0.61 N ATOM 638 CA THR A 55 9.553 -10.009 0.907 1.00 0.78 C ATOM 639 C THR A 55 9.742 -9.348 -0.461 1.00 0.83 C ATOM 640 O THR A 55 10.804 -9.449 -1.075 1.00 0.98 O ATOM 641 CB THR A 55 9.001 -11.436 0.724 1.00 0.95 C ATOM 642 OG1 THR A 55 8.683 -11.992 2.010 1.00 1.00 O ATOM 643 CG2 THR A 55 10.007 -12.331 0.014 1.00 1.16 C ATOM 0 H THR A 55 7.777 -9.697 1.965 1.00 0.61 H new ATOM 0 HA THR A 55 10.522 -10.057 1.403 1.00 0.78 H new ATOM 0 HB THR A 55 8.103 -11.381 0.108 1.00 0.95 H new ATOM 0 HG1 THR A 55 7.837 -11.614 2.330 1.00 1.00 H new ATOM 0 HG21 THR A 55 9.588 -13.331 -0.100 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.232 -11.917 -0.969 1.00 1.16 H new ATOM 0 HG23 THR A 55 10.923 -12.387 0.602 1.00 1.16 H new ATOM 651 N ALA A 56 8.711 -8.650 -0.917 1.00 0.77 N ATOM 652 CA ALA A 56 8.726 -8.021 -2.229 1.00 0.88 C ATOM 653 C ALA A 56 9.561 -6.746 -2.238 1.00 0.88 C ATOM 654 O ALA A 56 10.541 -6.640 -2.972 1.00 1.15 O ATOM 655 CB ALA A 56 7.310 -7.721 -2.676 1.00 0.90 C ATOM 0 H ALA A 56 7.848 -8.505 -0.393 1.00 0.77 H new ATOM 0 HA ALA A 56 9.187 -8.720 -2.926 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.331 -7.250 -3.659 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.741 -8.649 -2.730 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.838 -7.047 -1.961 1.00 0.90 H new ATOM 661 N PHE A 57 9.174 -5.778 -1.415 1.00 0.76 N ATOM 662 CA PHE A 57 9.862 -4.497 -1.367 1.00 1.05 C ATOM 663 C PHE A 57 11.255 -4.641 -0.767 1.00 1.56 C ATOM 664 O PHE A 57 12.105 -3.764 -0.926 1.00 2.05 O ATOM 665 CB PHE A 57 9.053 -3.494 -0.550 1.00 1.04 C ATOM 666 CG PHE A 57 7.893 -2.881 -1.284 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.080 -1.764 -2.083 1.00 1.47 C ATOM 668 CD2 PHE A 57 6.615 -3.403 -1.158 1.00 1.50 C ATOM 669 CE1 PHE A 57 7.015 -1.178 -2.740 1.00 1.46 C ATOM 670 CE2 PHE A 57 5.547 -2.823 -1.817 1.00 1.50 C ATOM 671 CZ PHE A 57 5.748 -1.708 -2.608 1.00 0.92 C ATOM 0 H PHE A 57 8.386 -5.858 -0.772 1.00 0.76 H new ATOM 0 HA PHE A 57 9.963 -4.134 -2.390 1.00 1.05 H new ATOM 0 HB2 PHE A 57 8.678 -3.992 0.344 1.00 1.04 H new ATOM 0 HB3 PHE A 57 9.717 -2.697 -0.216 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.070 -1.347 -2.193 1.00 1.47 H new ATOM 0 HD2 PHE A 57 6.452 -4.272 -0.538 1.00 1.50 H new ATOM 0 HE1 PHE A 57 7.174 -0.306 -3.356 1.00 1.46 H new ATOM 0 HE2 PHE A 57 4.557 -3.241 -1.714 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.915 -1.252 -3.122 1.00 0.92 H new ATOM 681 N GLY A 58 11.479 -5.748 -0.071 1.00 1.71 N ATOM 682 CA GLY A 58 12.767 -5.996 0.537 1.00 2.29 C ATOM 683 C GLY A 58 12.953 -5.201 1.807 1.00 2.05 C ATOM 684 O GLY A 58 14.068 -5.065 2.310 1.00 2.60 O ATOM 0 H GLY A 58 10.786 -6.481 0.083 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.866 -7.059 0.756 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.557 -5.741 -0.170 1.00 2.29 H new ATOM 688 N VAL A 59 11.856 -4.676 2.330 1.00 1.35 N ATOM 689 CA VAL A 59 11.906 -3.867 3.531 1.00 1.13 C ATOM 690 C VAL A 59 11.552 -4.694 4.751 1.00 1.04 C ATOM 691 O VAL A 59 10.690 -5.565 4.696 1.00 1.22 O ATOM 692 CB VAL A 59 10.979 -2.637 3.450 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.455 -1.689 2.365 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.530 -3.033 3.197 1.00 1.00 C ATOM 0 H VAL A 59 10.922 -4.797 1.939 1.00 1.35 H new ATOM 0 HA VAL A 59 12.930 -3.506 3.621 1.00 1.13 H new ATOM 0 HB VAL A 59 11.022 -2.133 4.415 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.791 -0.826 2.319 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.468 -1.356 2.591 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.448 -2.203 1.404 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.911 -2.137 3.147 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.460 -3.575 2.254 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.180 -3.671 4.009 1.00 1.00 H new ATOM 704 N THR A 60 12.234 -4.421 5.843 1.00 1.18 N ATOM 705 CA THR A 60 12.042 -5.163 7.074 1.00 1.30 C ATOM 706 C THR A 60 11.642 -4.225 8.202 1.00 1.16 C ATOM 707 O THR A 60 11.360 -3.048 7.962 1.00 1.15 O ATOM 708 CB THR A 60 13.327 -5.912 7.470 1.00 1.94 C ATOM 709 OG1 THR A 60 14.422 -4.988 7.564 1.00 2.24 O ATOM 710 CG2 THR A 60 13.658 -7.002 6.462 1.00 2.38 C ATOM 0 H THR A 60 12.934 -3.682 5.904 1.00 1.18 H new ATOM 0 HA THR A 60 11.246 -5.888 6.904 1.00 1.30 H new ATOM 0 HB THR A 60 13.162 -6.381 8.440 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.411 -4.388 6.789 1.00 2.24 H new ATOM 0 HG21 THR A 60 14.570 -7.515 6.767 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.837 -7.718 6.417 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.804 -6.556 5.478 1.00 2.38 H new ATOM 718 N VAL A 61 11.621 -4.734 9.425 1.00 1.41 N ATOM 719 CA VAL A 61 11.336 -3.908 10.588 1.00 1.59 C ATOM 720 C VAL A 61 12.382 -2.797 10.729 1.00 1.83 C ATOM 721 O VAL A 61 12.081 -1.708 11.207 1.00 2.11 O ATOM 722 CB VAL A 61 11.272 -4.753 11.883 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.619 -5.387 12.198 1.00 2.21 C ATOM 724 CG2 VAL A 61 10.777 -3.914 13.051 1.00 1.95 C ATOM 0 H VAL A 61 11.798 -5.716 9.637 1.00 1.41 H new ATOM 0 HA VAL A 61 10.357 -3.453 10.437 1.00 1.59 H new ATOM 0 HB VAL A 61 10.559 -5.561 11.719 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.540 -5.974 13.113 1.00 2.21 H new ATOM 0 HG12 VAL A 61 12.917 -6.037 11.375 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.367 -4.605 12.332 1.00 2.21 H new ATOM 0 HG21 VAL A 61 10.740 -4.528 13.951 1.00 1.95 H new ATOM 0 HG22 VAL A 61 11.456 -3.077 13.211 1.00 1.95 H new ATOM 0 HG23 VAL A 61 9.779 -3.535 12.830 1.00 1.95 H new ATOM 734 N GLU A 62 13.602 -3.071 10.271 1.00 1.89 N ATOM 735 CA GLU A 62 14.682 -2.088 10.313 1.00 2.16 C ATOM 736 C GLU A 62 14.400 -0.944 9.347 1.00 1.64 C ATOM 737 O GLU A 62 14.560 0.234 9.682 1.00 1.65 O ATOM 738 CB GLU A 62 16.012 -2.752 9.962 1.00 2.87 C ATOM 739 CG GLU A 62 16.457 -3.784 10.983 1.00 3.13 C ATOM 740 CD GLU A 62 16.685 -3.179 12.351 1.00 3.57 C ATOM 741 OE1 GLU A 62 17.805 -2.696 12.611 1.00 3.98 O ATOM 742 OE2 GLU A 62 15.744 -3.178 13.173 1.00 4.01 O ATOM 0 H GLU A 62 13.867 -3.968 9.865 1.00 1.89 H new ATOM 0 HA GLU A 62 14.743 -1.684 11.324 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.925 -3.231 8.987 1.00 2.87 H new ATOM 0 HB3 GLU A 62 16.781 -1.984 9.873 1.00 2.87 H new ATOM 0 HG2 GLU A 62 15.703 -4.568 11.056 1.00 3.13 H new ATOM 0 HG3 GLU A 62 17.377 -4.258 10.640 1.00 3.13 H new ATOM 749 N ASP A 63 13.974 -1.297 8.146 1.00 1.38 N ATOM 750 CA ASP A 63 13.597 -0.308 7.153 1.00 1.61 C ATOM 751 C ASP A 63 12.371 0.451 7.638 1.00 1.60 C ATOM 752 O ASP A 63 12.291 1.671 7.529 1.00 1.95 O ATOM 753 CB ASP A 63 13.296 -0.982 5.815 1.00 1.89 C ATOM 754 CG ASP A 63 14.446 -1.820 5.305 1.00 2.88 C ATOM 755 OD1 ASP A 63 14.537 -3.005 5.690 1.00 3.35 O ATOM 756 OD2 ASP A 63 15.257 -1.308 4.508 1.00 3.62 O ATOM 0 H ASP A 63 13.881 -2.264 7.835 1.00 1.38 H new ATOM 0 HA ASP A 63 14.425 0.387 7.011 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.413 -1.613 5.922 1.00 1.89 H new ATOM 0 HB3 ASP A 63 13.054 -0.218 5.076 1.00 1.89 H new ATOM 761 N SER A 64 11.426 -0.287 8.200 1.00 1.54 N ATOM 762 CA SER A 64 10.209 0.298 8.739 1.00 1.81 C ATOM 763 C SER A 64 10.510 1.118 9.992 1.00 1.74 C ATOM 764 O SER A 64 9.657 1.856 10.486 1.00 1.93 O ATOM 765 CB SER A 64 9.204 -0.805 9.062 1.00 2.41 C ATOM 766 OG SER A 64 8.944 -1.605 7.919 1.00 2.91 O ATOM 0 H SER A 64 11.480 -1.301 8.295 1.00 1.54 H new ATOM 0 HA SER A 64 9.783 0.965 7.989 1.00 1.81 H new ATOM 0 HB2 SER A 64 9.590 -1.430 9.868 1.00 2.41 H new ATOM 0 HB3 SER A 64 8.275 -0.362 9.420 1.00 2.41 H new ATOM 0 HG SER A 64 9.697 -2.214 7.768 1.00 2.91 H new ATOM 772 N ASP A 65 11.725 0.980 10.506 1.00 1.69 N ATOM 773 CA ASP A 65 12.144 1.717 11.685 1.00 2.03 C ATOM 774 C ASP A 65 12.523 3.145 11.319 1.00 1.90 C ATOM 775 O ASP A 65 12.271 4.073 12.089 1.00 2.28 O ATOM 776 CB ASP A 65 13.316 1.020 12.377 1.00 2.26 C ATOM 777 CG ASP A 65 13.725 1.716 13.657 1.00 2.89 C ATOM 778 OD1 ASP A 65 12.976 1.623 14.651 1.00 3.46 O ATOM 779 OD2 ASP A 65 14.793 2.366 13.673 1.00 3.35 O ATOM 0 H ASP A 65 12.439 0.361 10.121 1.00 1.69 H new ATOM 0 HA ASP A 65 11.304 1.746 12.378 1.00 2.03 H new ATOM 0 HB2 ASP A 65 13.042 -0.012 12.599 1.00 2.26 H new ATOM 0 HB3 ASP A 65 14.167 0.985 11.697 1.00 2.26 H new ATOM 784 N LEU A 66 13.133 3.328 10.148 1.00 1.52 N ATOM 785 CA LEU A 66 13.434 4.678 9.684 1.00 1.61 C ATOM 786 C LEU A 66 12.131 5.385 9.341 1.00 1.45 C ATOM 787 O LEU A 66 11.908 6.515 9.772 1.00 1.72 O ATOM 788 CB LEU A 66 14.420 4.674 8.495 1.00 1.77 C ATOM 789 CG LEU A 66 13.933 4.076 7.173 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.341 5.154 6.272 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.073 3.364 6.464 1.00 1.57 C ATOM 0 H LEU A 66 13.421 2.579 9.519 1.00 1.52 H new ATOM 0 HA LEU A 66 13.935 5.225 10.483 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.723 5.704 8.306 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.313 4.130 8.801 1.00 1.77 H new ATOM 0 HG LEU A 66 13.150 3.351 7.396 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.002 4.703 5.339 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.496 5.625 6.775 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.100 5.906 6.057 1.00 1.87 H new ATOM 0 HD21 LEU A 66 14.712 2.944 5.525 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.874 4.074 6.259 1.00 1.57 H new ATOM 0 HD23 LEU A 66 15.452 2.563 7.098 1.00 1.57 H new ATOM 803 N ALA A 67 11.269 4.687 8.593 1.00 1.30 N ATOM 804 CA ALA A 67 9.906 5.139 8.308 1.00 1.26 C ATOM 805 C ALA A 67 9.813 6.606 7.897 1.00 1.27 C ATOM 806 O ALA A 67 10.790 7.236 7.484 1.00 1.53 O ATOM 807 CB ALA A 67 9.032 4.879 9.520 1.00 1.48 C ATOM 0 H ALA A 67 11.500 3.789 8.167 1.00 1.30 H new ATOM 0 HA ALA A 67 9.557 4.568 7.448 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.015 5.214 9.314 1.00 1.48 H new ATOM 0 HB2 ALA A 67 9.025 3.812 9.741 1.00 1.48 H new ATOM 0 HB3 ALA A 67 9.427 5.425 10.377 1.00 1.48 H new ATOM 813 N LEU A 68 8.599 7.108 7.956 1.00 1.15 N ATOM 814 CA LEU A 68 8.321 8.518 7.752 1.00 1.28 C ATOM 815 C LEU A 68 7.598 9.066 8.975 1.00 1.55 C ATOM 816 O LEU A 68 6.605 8.499 9.432 1.00 1.55 O ATOM 817 CB LEU A 68 7.475 8.717 6.492 1.00 1.24 C ATOM 818 CG LEU A 68 8.182 8.374 5.180 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.203 8.387 4.019 1.00 1.20 C ATOM 820 CD2 LEU A 68 9.322 9.346 4.924 1.00 1.18 C ATOM 0 H LEU A 68 7.769 6.547 8.148 1.00 1.15 H new ATOM 0 HA LEU A 68 9.258 9.058 7.617 1.00 1.28 H new ATOM 0 HB2 LEU A 68 6.577 8.105 6.575 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.149 9.756 6.451 1.00 1.24 H new ATOM 0 HG LEU A 68 8.593 7.368 5.266 1.00 1.18 H new ATOM 0 HD11 LEU A 68 7.729 8.140 3.097 1.00 1.20 H new ATOM 0 HD12 LEU A 68 6.418 7.652 4.197 1.00 1.20 H new ATOM 0 HD13 LEU A 68 6.758 9.378 3.929 1.00 1.20 H new ATOM 0 HD21 LEU A 68 9.816 9.089 3.987 1.00 1.18 H new ATOM 0 HD22 LEU A 68 8.928 10.360 4.860 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.041 9.287 5.741 1.00 1.18 H new ATOM 832 N PRO A 69 8.139 10.171 9.531 1.00 1.93 N ATOM 833 CA PRO A 69 7.685 10.769 10.795 1.00 2.35 C ATOM 834 C PRO A 69 6.190 11.044 10.842 1.00 2.24 C ATOM 835 O PRO A 69 5.547 10.823 11.866 1.00 2.61 O ATOM 836 CB PRO A 69 8.449 12.093 10.883 1.00 2.74 C ATOM 837 CG PRO A 69 9.106 12.286 9.558 1.00 2.56 C ATOM 838 CD PRO A 69 9.266 10.922 8.959 1.00 2.06 C ATOM 0 HA PRO A 69 7.873 10.084 11.622 1.00 2.35 H new ATOM 0 HB2 PRO A 69 7.773 12.918 11.105 1.00 2.74 H new ATOM 0 HB3 PRO A 69 9.189 12.063 11.683 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.500 12.924 8.914 1.00 2.56 H new ATOM 0 HG3 PRO A 69 10.073 12.775 9.672 1.00 2.56 H new ATOM 0 HD2 PRO A 69 9.219 10.952 7.870 1.00 2.06 H new ATOM 0 HD3 PRO A 69 10.224 10.475 9.225 1.00 2.06 H new ATOM 846 N GLN A 70 5.647 11.557 9.752 1.00 1.83 N ATOM 847 CA GLN A 70 4.218 11.793 9.659 1.00 1.81 C ATOM 848 C GLN A 70 3.541 10.529 9.164 1.00 1.42 C ATOM 849 O GLN A 70 4.063 9.835 8.292 1.00 1.30 O ATOM 850 CB GLN A 70 3.894 12.986 8.741 1.00 1.92 C ATOM 851 CG GLN A 70 4.292 12.815 7.278 1.00 1.65 C ATOM 852 CD GLN A 70 5.796 12.766 7.074 1.00 2.17 C ATOM 853 OE1 GLN A 70 6.556 13.383 7.827 1.00 2.65 O ATOM 854 NE2 GLN A 70 6.243 12.042 6.064 1.00 2.75 N ATOM 0 H GLN A 70 6.175 11.818 8.919 1.00 1.83 H new ATOM 0 HA GLN A 70 3.840 12.048 10.649 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.822 13.178 8.788 1.00 1.92 H new ATOM 0 HB3 GLN A 70 4.394 13.871 9.134 1.00 1.92 H new ATOM 0 HG2 GLN A 70 3.848 11.897 6.891 1.00 1.65 H new ATOM 0 HG3 GLN A 70 3.879 13.639 6.696 1.00 1.65 H new ATOM 0 HE21 GLN A 70 5.586 11.545 5.462 1.00 2.75 H new ATOM 0 HE22 GLN A 70 7.245 11.979 5.886 1.00 2.75 H new ATOM 863 N THR A 71 2.394 10.218 9.738 1.00 1.36 N ATOM 864 CA THR A 71 1.703 8.990 9.416 1.00 1.13 C ATOM 865 C THR A 71 1.186 9.019 7.982 1.00 0.86 C ATOM 866 O THR A 71 0.625 10.014 7.520 1.00 0.83 O ATOM 867 CB THR A 71 0.549 8.743 10.399 1.00 1.23 C ATOM 868 OG1 THR A 71 -0.255 9.921 10.516 1.00 1.53 O ATOM 869 CG2 THR A 71 1.086 8.360 11.768 1.00 1.55 C ATOM 0 H THR A 71 1.923 10.801 10.430 1.00 1.36 H new ATOM 0 HA THR A 71 2.414 8.169 9.506 1.00 1.13 H new ATOM 0 HB THR A 71 -0.059 7.924 10.015 1.00 1.23 H new ATOM 0 HG1 THR A 71 -1.062 9.716 11.033 1.00 1.53 H new ATOM 0 HG21 THR A 71 0.254 8.189 12.451 1.00 1.55 H new ATOM 0 HG22 THR A 71 1.680 7.450 11.684 1.00 1.55 H new ATOM 0 HG23 THR A 71 1.711 9.166 12.152 1.00 1.55 H new ATOM 877 N LEU A 72 1.383 7.908 7.289 1.00 0.80 N ATOM 878 CA LEU A 72 1.131 7.835 5.860 1.00 0.65 C ATOM 879 C LEU A 72 -0.347 7.647 5.527 1.00 0.65 C ATOM 880 O LEU A 72 -0.848 8.361 4.674 1.00 0.66 O ATOM 881 CB LEU A 72 1.989 6.750 5.219 1.00 0.78 C ATOM 882 CG LEU A 72 3.500 7.023 5.226 1.00 0.97 C ATOM 883 CD1 LEU A 72 3.782 8.479 4.887 1.00 1.47 C ATOM 884 CD2 LEU A 72 4.123 6.652 6.565 1.00 1.79 C ATOM 0 H LEU A 72 1.720 7.037 7.699 1.00 0.80 H new ATOM 0 HA LEU A 72 1.416 8.798 5.436 1.00 0.65 H new ATOM 0 HB2 LEU A 72 1.803 5.809 5.737 1.00 0.78 H new ATOM 0 HB3 LEU A 72 1.665 6.615 4.187 1.00 0.78 H new ATOM 0 HG LEU A 72 3.957 6.395 4.461 1.00 0.97 H new ATOM 0 HD11 LEU A 72 4.858 8.653 4.897 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.387 8.705 3.897 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.303 9.124 5.624 1.00 1.47 H new ATOM 0 HD21 LEU A 72 5.193 6.857 6.538 1.00 1.79 H new ATOM 0 HD22 LEU A 72 3.661 7.241 7.357 1.00 1.79 H new ATOM 0 HD23 LEU A 72 3.962 5.592 6.760 1.00 1.79 H new ATOM 896 N PRO A 73 -1.082 6.703 6.164 1.00 0.75 N ATOM 897 CA PRO A 73 -2.530 6.586 5.949 1.00 0.84 C ATOM 898 C PRO A 73 -3.248 7.924 6.150 1.00 0.80 C ATOM 899 O PRO A 73 -4.243 8.213 5.488 1.00 0.82 O ATOM 900 CB PRO A 73 -2.981 5.575 7.004 1.00 1.03 C ATOM 901 CG PRO A 73 -1.767 4.771 7.322 1.00 1.07 C ATOM 902 CD PRO A 73 -0.580 5.669 7.090 1.00 0.84 C ATOM 0 HA PRO A 73 -2.764 6.278 4.930 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -3.364 6.078 7.892 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -3.784 4.942 6.625 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -1.793 4.423 8.355 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -1.712 3.886 6.688 1.00 1.07 H new ATOM 0 HD2 PRO A 73 -0.225 6.108 8.022 1.00 0.84 H new ATOM 0 HD3 PRO A 73 0.256 5.120 6.658 1.00 0.84 H new ATOM 910 N GLU A 74 -2.715 8.740 7.056 1.00 0.78 N ATOM 911 CA GLU A 74 -3.252 10.069 7.321 1.00 0.78 C ATOM 912 C GLU A 74 -2.964 11.008 6.149 1.00 0.64 C ATOM 913 O GLU A 74 -3.839 11.760 5.716 1.00 0.64 O ATOM 914 CB GLU A 74 -2.639 10.623 8.601 1.00 0.87 C ATOM 915 CG GLU A 74 -3.294 11.895 9.105 1.00 1.22 C ATOM 916 CD GLU A 74 -2.635 12.413 10.363 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.828 11.805 11.436 1.00 1.67 O ATOM 918 OE2 GLU A 74 -1.904 13.423 10.285 1.00 2.28 O ATOM 0 H GLU A 74 -1.903 8.499 7.624 1.00 0.78 H new ATOM 0 HA GLU A 74 -4.333 9.995 7.443 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -2.702 9.862 9.379 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.580 10.816 8.429 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -3.245 12.659 8.329 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -4.350 11.706 9.300 1.00 1.22 H new ATOM 925 N ILE A 75 -1.734 10.965 5.639 1.00 0.58 N ATOM 926 CA ILE A 75 -1.390 11.710 4.431 1.00 0.53 C ATOM 927 C ILE A 75 -2.238 11.225 3.273 1.00 0.49 C ATOM 928 O ILE A 75 -2.746 12.016 2.481 1.00 0.53 O ATOM 929 CB ILE A 75 0.094 11.551 4.035 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.007 12.226 5.050 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.344 12.120 2.641 1.00 0.68 C ATOM 932 CD1 ILE A 75 2.464 12.158 4.658 1.00 1.38 C ATOM 0 H ILE A 75 -0.966 10.427 6.040 1.00 0.58 H new ATOM 0 HA ILE A 75 -1.577 12.761 4.649 1.00 0.53 H new ATOM 0 HB ILE A 75 0.323 10.485 4.024 1.00 0.60 H new ATOM 0 HG12 ILE A 75 0.713 13.270 5.160 1.00 0.73 H new ATOM 0 HG13 ILE A 75 0.874 11.753 6.023 1.00 0.73 H new ATOM 0 HG21 ILE A 75 1.396 11.998 2.381 1.00 0.68 H new ATOM 0 HG22 ILE A 75 -0.273 11.590 1.916 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.088 13.179 2.629 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.069 12.654 5.417 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.770 11.115 4.575 1.00 1.38 H new ATOM 0 HD13 ILE A 75 2.606 12.655 3.699 1.00 1.38 H new ATOM 944 N PHE A 76 -2.398 9.915 3.193 1.00 0.50 N ATOM 945 CA PHE A 76 -3.136 9.309 2.106 1.00 0.56 C ATOM 946 C PHE A 76 -4.619 9.670 2.210 1.00 0.60 C ATOM 947 O PHE A 76 -5.377 9.541 1.252 1.00 0.72 O ATOM 948 CB PHE A 76 -2.953 7.782 2.098 1.00 0.65 C ATOM 949 CG PHE A 76 -1.517 7.325 1.978 1.00 2.05 C ATOM 950 CD1 PHE A 76 -0.518 8.196 1.570 1.00 2.34 C ATOM 951 CD2 PHE A 76 -1.168 6.016 2.279 1.00 2.12 C ATOM 952 CE1 PHE A 76 0.791 7.773 1.466 1.00 2.34 C ATOM 953 CE2 PHE A 76 0.143 5.587 2.174 1.00 2.24 C ATOM 954 CZ PHE A 76 1.123 6.468 1.767 1.00 2.36 C ATOM 0 H PHE A 76 -2.024 9.252 3.872 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.743 9.699 1.167 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -3.376 7.373 3.015 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.525 7.364 1.269 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.768 9.219 1.331 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.931 5.322 2.600 1.00 2.12 H new ATOM 0 HE1 PHE A 76 1.557 8.465 1.148 1.00 2.34 H new ATOM 0 HE2 PHE A 76 0.398 4.565 2.410 1.00 2.24 H new ATOM 0 HZ PHE A 76 2.148 6.137 1.684 1.00 2.36 H new ATOM 964 N GLU A 77 -5.019 10.125 3.389 1.00 0.63 N ATOM 965 CA GLU A 77 -6.374 10.597 3.620 1.00 0.73 C ATOM 966 C GLU A 77 -6.556 11.971 2.977 1.00 0.69 C ATOM 967 O GLU A 77 -7.575 12.249 2.351 1.00 0.80 O ATOM 968 CB GLU A 77 -6.636 10.658 5.133 1.00 0.90 C ATOM 969 CG GLU A 77 -8.102 10.771 5.537 1.00 1.56 C ATOM 970 CD GLU A 77 -8.705 12.136 5.266 1.00 1.94 C ATOM 971 OE1 GLU A 77 -8.146 13.142 5.753 1.00 2.41 O ATOM 972 OE2 GLU A 77 -9.757 12.207 4.591 1.00 2.52 O ATOM 0 H GLU A 77 -4.414 10.177 4.209 1.00 0.63 H new ATOM 0 HA GLU A 77 -7.091 9.912 3.168 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -6.217 9.763 5.594 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -6.096 11.511 5.544 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -8.677 10.016 5.000 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -8.195 10.547 6.600 1.00 1.56 H new ATOM 979 N ALA A 78 -5.543 12.813 3.118 1.00 0.61 N ATOM 980 CA ALA A 78 -5.607 14.178 2.617 1.00 0.62 C ATOM 981 C ALA A 78 -5.117 14.284 1.175 1.00 0.60 C ATOM 982 O ALA A 78 -5.871 14.654 0.275 1.00 0.65 O ATOM 983 CB ALA A 78 -4.785 15.093 3.512 1.00 0.64 C ATOM 0 H ALA A 78 -4.664 12.574 3.577 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.652 14.486 2.631 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.836 16.114 3.133 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -5.182 15.062 4.527 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.747 14.759 3.518 1.00 0.64 H new ATOM 989 N ALA A 79 -3.855 13.935 0.964 1.00 0.65 N ATOM 990 CA ALA A 79 -3.177 14.192 -0.300 1.00 0.75 C ATOM 991 C ALA A 79 -3.566 13.204 -1.390 1.00 0.86 C ATOM 992 O ALA A 79 -3.769 13.595 -2.535 1.00 0.99 O ATOM 993 CB ALA A 79 -1.675 14.156 -0.092 1.00 0.83 C ATOM 0 H ALA A 79 -3.274 13.468 1.661 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.490 15.181 -0.635 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.172 14.349 -1.039 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.390 14.919 0.632 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.383 13.174 0.281 1.00 0.83 H new ATOM 999 N ALA A 80 -3.664 11.928 -1.033 1.00 0.91 N ATOM 1000 CA ALA A 80 -3.885 10.875 -2.022 1.00 1.12 C ATOM 1001 C ALA A 80 -5.204 11.061 -2.759 1.00 1.27 C ATOM 1002 O ALA A 80 -5.256 10.972 -3.983 1.00 1.56 O ATOM 1003 CB ALA A 80 -3.838 9.505 -1.368 1.00 1.25 C ATOM 0 H ALA A 80 -3.594 11.597 -0.071 1.00 0.91 H new ATOM 0 HA ALA A 80 -3.081 10.945 -2.754 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.005 8.736 -2.122 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -2.862 9.355 -0.907 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -4.614 9.439 -0.605 1.00 1.25 H new ATOM 1009 N THR A 81 -6.264 11.339 -2.015 1.00 1.23 N ATOM 1010 CA THR A 81 -7.581 11.497 -2.610 1.00 1.46 C ATOM 1011 C THR A 81 -7.814 12.951 -3.025 1.00 1.63 C ATOM 1012 O THR A 81 -8.943 13.364 -3.300 1.00 1.89 O ATOM 1013 CB THR A 81 -8.690 11.021 -1.643 1.00 1.60 C ATOM 1014 OG1 THR A 81 -9.949 10.947 -2.321 1.00 2.33 O ATOM 1015 CG2 THR A 81 -8.811 11.951 -0.449 1.00 1.65 C ATOM 0 H THR A 81 -6.238 11.459 -1.002 1.00 1.23 H new ATOM 0 HA THR A 81 -7.624 10.873 -3.503 1.00 1.46 H new ATOM 0 HB THR A 81 -8.414 10.029 -1.286 1.00 1.60 H new ATOM 0 HG1 THR A 81 -10.046 11.720 -2.916 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.598 11.592 0.214 1.00 1.65 H new ATOM 0 HG22 THR A 81 -7.865 11.975 0.091 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.057 12.955 -0.794 1.00 1.65 H new ATOM 1023 N GLY A 82 -6.730 13.712 -3.088 1.00 1.69 N ATOM 1024 CA GLY A 82 -6.811 15.101 -3.475 1.00 2.14 C ATOM 1025 C GLY A 82 -5.704 15.474 -4.434 1.00 2.00 C ATOM 1026 O GLY A 82 -5.071 14.601 -5.027 1.00 2.59 O ATOM 0 H GLY A 82 -5.788 13.385 -2.875 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -7.778 15.294 -3.940 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -6.753 15.731 -2.587 1.00 2.14 H new ATOM 1030 N LYS A 83 -5.461 16.762 -4.589 1.00 1.89 N ATOM 1031 CA LYS A 83 -4.424 17.236 -5.489 1.00 2.11 C ATOM 1032 C LYS A 83 -3.562 18.274 -4.787 1.00 2.84 C ATOM 1033 O LYS A 83 -3.849 19.482 -4.926 1.00 3.20 O ATOM 1034 CB LYS A 83 -5.047 17.828 -6.758 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.897 16.841 -7.542 1.00 2.78 C ATOM 1036 CD LYS A 83 -6.534 17.498 -8.753 1.00 3.44 C ATOM 1037 CE LYS A 83 -7.429 16.532 -9.512 1.00 3.93 C ATOM 1038 NZ LYS A 83 -6.672 15.369 -10.046 1.00 4.41 N ATOM 1039 OXT LYS A 83 -2.617 17.878 -4.074 1.00 3.62 O ATOM 0 H LYS A 83 -5.968 17.501 -4.102 1.00 1.89 H new ATOM 0 HA LYS A 83 -3.795 16.393 -5.776 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.662 18.685 -6.484 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -4.251 18.200 -7.403 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -5.280 16.002 -7.864 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -6.675 16.435 -6.895 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -7.118 18.361 -8.433 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -5.754 17.870 -9.417 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -8.220 16.177 -8.852 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -7.913 17.058 -10.335 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -7.115 15.042 -10.928 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -5.689 15.652 -10.236 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -6.682 14.598 -9.348 1.00 4.41 H new TER 1053 LYS A 83 ATOM 1054 N MET B 15 -17.188 7.008 1.062 1.00 2.24 N ATOM 1055 CA MET B 15 -16.130 8.040 0.984 1.00 1.67 C ATOM 1056 C MET B 15 -14.980 7.690 1.920 1.00 1.40 C ATOM 1057 O MET B 15 -14.733 8.384 2.906 1.00 1.55 O ATOM 1058 CB MET B 15 -16.702 9.415 1.348 1.00 1.81 C ATOM 1059 CG MET B 15 -17.813 9.879 0.421 1.00 2.21 C ATOM 1060 SD MET B 15 -18.628 11.384 0.995 1.00 3.03 S ATOM 1061 CE MET B 15 -17.261 12.543 1.000 1.00 3.68 C ATOM 0 HA MET B 15 -15.753 8.074 -0.038 1.00 1.67 H new ATOM 0 HB2 MET B 15 -17.083 9.382 2.369 1.00 1.81 H new ATOM 0 HB3 MET B 15 -15.897 10.150 1.332 1.00 1.81 H new ATOM 0 HG2 MET B 15 -17.401 10.052 -0.573 1.00 2.21 H new ATOM 0 HG3 MET B 15 -18.554 9.085 0.325 1.00 2.21 H new ATOM 0 HE1 MET B 15 -17.645 13.558 1.106 1.00 3.68 H new ATOM 0 HE2 MET B 15 -16.596 12.317 1.833 1.00 3.68 H new ATOM 0 HE3 MET B 15 -16.710 12.460 0.063 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.280 6.606 1.608 1.00 1.24 N ATOM 1074 CA ASP B 16 -13.183 6.139 2.444 1.00 1.13 C ATOM 1075 C ASP B 16 -11.877 6.141 1.675 1.00 0.91 C ATOM 1076 O ASP B 16 -11.772 5.541 0.601 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.452 4.724 2.962 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.632 4.657 3.901 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.489 5.063 5.072 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -15.707 4.194 3.477 1.00 2.27 O ATOM 0 H ASP B 16 -14.453 6.034 0.781 1.00 1.24 H new ATOM 0 HA ASP B 16 -13.106 6.824 3.289 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.629 4.060 2.116 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.564 4.356 3.476 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.876 6.807 2.237 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.541 6.827 1.651 1.00 0.75 C ATOM 1087 C ASN B 17 -8.924 5.436 1.703 1.00 0.62 C ATOM 1088 O ASN B 17 -8.010 5.127 0.946 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.622 7.806 2.392 1.00 0.93 C ATOM 1090 CG ASN B 17 -8.285 7.349 3.804 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -9.127 6.797 4.516 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -7.041 7.547 4.209 1.00 1.71 N ATOM 0 H ASN B 17 -10.964 7.342 3.101 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.641 7.152 0.616 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -7.699 7.930 1.826 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.102 8.784 2.437 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.752 7.239 5.138 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.371 8.007 3.593 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.437 4.610 2.607 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.929 3.259 2.806 1.00 0.62 C ATOM 1101 C LYS B 18 -9.018 2.452 1.516 1.00 0.54 C ATOM 1102 O LYS B 18 -8.047 1.820 1.103 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.715 2.557 3.917 1.00 0.82 C ATOM 1104 CG LYS B 18 -9.803 3.361 5.211 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.431 3.640 5.812 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.780 2.375 6.356 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.562 1.787 7.476 1.00 1.89 N ATOM 0 H LYS B 18 -10.214 4.857 3.220 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.881 3.328 3.099 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.724 2.349 3.560 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -9.247 1.596 4.129 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -10.311 4.306 5.016 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -10.410 2.816 5.934 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.786 4.083 5.053 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -8.528 4.372 6.614 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.686 1.642 5.555 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.771 2.604 6.699 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.000 1.044 7.939 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.791 2.530 8.167 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.443 1.375 7.106 1.00 1.89 H new ATOM 1121 N LYS B 19 -10.177 2.496 0.871 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.376 1.759 -0.370 1.00 0.61 C ATOM 1123 C LYS B 19 -9.546 2.374 -1.479 1.00 0.53 C ATOM 1124 O LYS B 19 -8.926 1.676 -2.273 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.846 1.768 -0.794 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.820 1.490 0.334 1.00 0.82 C ATOM 1127 CD LYS B 19 -14.065 0.773 -0.170 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.790 1.567 -1.246 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.973 0.837 -1.776 1.00 1.49 N ATOM 0 H LYS B 19 -10.988 3.030 1.184 1.00 0.61 H new ATOM 0 HA LYS B 19 -10.066 0.729 -0.194 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.081 2.739 -1.231 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.991 1.023 -1.576 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.332 0.883 1.096 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -13.106 2.428 0.809 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.784 -0.202 -0.568 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.742 0.594 0.665 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -15.109 2.525 -0.836 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -14.101 1.783 -2.063 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -16.701 1.520 -2.066 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.689 0.264 -2.596 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.357 0.215 -1.036 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.528 3.695 -1.505 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.865 4.434 -2.566 1.00 0.59 C ATOM 1145 C ARG B 20 -7.350 4.240 -2.497 1.00 0.55 C ATOM 1146 O ARG B 20 -6.662 4.236 -3.519 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.259 5.906 -2.470 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.771 6.099 -2.489 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.166 7.561 -2.355 1.00 1.01 C ATOM 1150 NE ARG B 20 -12.619 7.725 -2.307 1.00 1.31 N ATOM 1151 CZ ARG B 20 -13.240 8.888 -2.118 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.546 10.010 -1.972 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -14.566 8.928 -2.092 1.00 2.34 N ATOM 0 H ARG B 20 -9.969 4.282 -0.797 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.185 4.054 -3.536 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -8.852 6.330 -1.552 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.814 6.455 -3.300 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.175 5.699 -3.419 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.219 5.528 -1.676 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -10.722 7.977 -1.450 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -10.763 8.126 -3.196 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.196 6.892 -2.426 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.527 9.987 -2.004 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -13.032 10.895 -1.828 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -15.105 8.071 -2.216 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -15.047 9.816 -1.948 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.846 4.057 -1.285 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.450 3.705 -1.073 1.00 0.58 C ATOM 1169 C LEU B 21 -5.176 2.300 -1.595 1.00 0.57 C ATOM 1170 O LEU B 21 -4.143 2.044 -2.212 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.110 3.796 0.417 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.809 3.113 0.854 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.620 3.636 0.057 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.584 3.343 2.334 1.00 0.61 C ATOM 0 H LEU B 21 -7.389 4.148 -0.426 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.820 4.406 -1.621 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.054 4.849 0.693 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.933 3.361 0.984 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.900 2.044 0.662 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.711 3.134 0.388 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.778 3.439 -1.003 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.520 4.710 0.215 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.658 2.856 2.641 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.513 4.413 2.529 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.418 2.926 2.898 1.00 0.61 H new ATOM 1186 N ALA B 22 -6.114 1.398 -1.354 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.984 0.021 -1.802 1.00 0.63 C ATOM 1188 C ALA B 22 -5.836 -0.050 -3.316 1.00 0.51 C ATOM 1189 O ALA B 22 -5.118 -0.907 -3.834 1.00 0.44 O ATOM 1190 CB ALA B 22 -7.177 -0.794 -1.350 1.00 0.83 C ATOM 0 H ALA B 22 -6.977 1.596 -0.848 1.00 0.55 H new ATOM 0 HA ALA B 22 -5.083 -0.397 -1.354 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -7.066 -1.823 -1.693 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -7.237 -0.779 -0.262 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -8.088 -0.368 -1.770 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.507 0.857 -4.023 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.388 0.924 -5.475 1.00 0.75 C ATOM 1198 C TYR B 23 -4.954 1.216 -5.847 1.00 0.66 C ATOM 1199 O TYR B 23 -4.388 0.572 -6.712 1.00 0.66 O ATOM 1200 CB TYR B 23 -7.263 2.022 -6.077 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.685 2.039 -5.594 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -9.340 0.878 -5.214 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -9.371 3.234 -5.521 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -10.644 0.916 -4.771 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -10.671 3.284 -5.084 1.00 1.83 C ATOM 1206 CZ TYR B 23 -11.307 2.124 -4.707 1.00 2.22 C ATOM 1207 OH TYR B 23 -12.608 2.169 -4.264 1.00 2.99 O ATOM 0 H TYR B 23 -7.134 1.551 -3.616 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.716 -0.038 -5.869 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -6.809 2.988 -5.857 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -7.265 1.910 -7.161 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.822 -0.068 -5.266 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.875 4.148 -5.813 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -11.144 0.006 -4.476 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -11.192 4.229 -5.036 1.00 1.83 H new ATOM 0 HH TYR B 23 -12.849 3.095 -4.051 1.00 2.99 H new ATOM 1217 N ALA B 24 -4.373 2.195 -5.169 1.00 0.72 N ATOM 1218 CA ALA B 24 -2.999 2.601 -5.424 1.00 0.87 C ATOM 1219 C ALA B 24 -2.052 1.413 -5.360 1.00 0.75 C ATOM 1220 O ALA B 24 -1.100 1.307 -6.135 1.00 0.84 O ATOM 1221 CB ALA B 24 -2.574 3.636 -4.403 1.00 1.14 C ATOM 0 H ALA B 24 -4.837 2.727 -4.432 1.00 0.72 H new ATOM 0 HA ALA B 24 -2.953 3.025 -6.427 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -1.545 3.937 -4.597 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -3.226 4.506 -4.474 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -2.645 3.210 -3.402 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.353 0.511 -4.451 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.489 -0.616 -4.174 1.00 0.71 C ATOM 1229 C ILE B 25 -1.766 -1.740 -5.162 1.00 0.61 C ATOM 1230 O ILE B 25 -0.859 -2.240 -5.817 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.685 -1.120 -2.728 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.579 0.053 -1.744 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.651 -2.186 -2.395 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -1.900 -0.312 -0.309 1.00 0.89 C ATOM 0 H ILE B 25 -3.201 0.538 -3.885 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.455 -0.290 -4.284 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.677 -1.562 -2.641 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.568 0.459 -1.787 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.255 0.845 -2.066 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.801 -2.532 -1.372 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.760 -3.025 -3.082 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.350 -1.765 -2.492 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -1.802 0.571 0.322 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -2.921 -0.689 -0.249 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -1.208 -1.081 0.034 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.032 -2.109 -5.285 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.439 -3.159 -6.209 1.00 0.53 C ATOM 1248 C ILE B 26 -3.144 -2.763 -7.654 1.00 0.51 C ATOM 1249 O ILE B 26 -2.456 -3.477 -8.371 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.945 -3.473 -6.061 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.219 -4.108 -4.694 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.428 -4.377 -7.190 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.684 -4.382 -4.432 1.00 0.78 C ATOM 0 H ILE B 26 -3.799 -1.695 -4.755 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.863 -4.051 -5.961 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.502 -2.538 -6.126 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.665 -5.044 -4.621 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.837 -3.449 -3.914 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.491 -4.583 -7.062 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.267 -3.881 -8.147 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.872 -5.314 -7.169 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -6.799 -4.831 -3.446 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.242 -3.447 -4.472 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.067 -5.066 -5.189 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.648 -1.605 -8.048 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.580 -1.138 -9.429 1.00 0.62 C ATOM 1267 C GLN B 27 -2.149 -0.942 -9.924 1.00 0.55 C ATOM 1268 O GLN B 27 -1.746 -1.530 -10.930 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.343 0.180 -9.558 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.851 0.016 -9.618 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.313 -0.717 -10.866 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -6.577 -0.104 -11.901 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.423 -2.032 -10.774 1.00 1.34 N ATOM 0 H GLN B 27 -4.119 -0.956 -7.417 1.00 0.54 H new ATOM 0 HA GLN B 27 -4.032 -1.912 -10.049 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.090 0.819 -8.712 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.008 0.696 -10.458 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.188 -0.529 -8.736 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.321 0.999 -9.584 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -6.195 -2.503 -9.898 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.736 -2.575 -11.579 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.383 -0.119 -9.226 1.00 0.52 N ATOM 1283 CA PHE B 28 -0.077 0.287 -9.724 1.00 0.51 C ATOM 1284 C PHE B 28 0.955 -0.810 -9.551 1.00 0.43 C ATOM 1285 O PHE B 28 1.694 -1.113 -10.483 1.00 0.42 O ATOM 1286 CB PHE B 28 0.375 1.575 -9.052 1.00 0.60 C ATOM 1287 CG PHE B 28 -0.491 2.740 -9.425 1.00 0.90 C ATOM 1288 CD1 PHE B 28 -1.614 3.045 -8.680 1.00 1.60 C ATOM 1289 CD2 PHE B 28 -0.192 3.513 -10.531 1.00 1.62 C ATOM 1290 CE1 PHE B 28 -2.427 4.104 -9.031 1.00 1.98 C ATOM 1291 CE2 PHE B 28 -0.998 4.575 -10.887 1.00 1.96 C ATOM 1292 CZ PHE B 28 -2.119 4.871 -10.136 1.00 1.83 C ATOM 0 H PHE B 28 -1.639 0.278 -8.322 1.00 0.52 H new ATOM 0 HA PHE B 28 -0.173 0.473 -10.794 1.00 0.51 H new ATOM 0 HB2 PHE B 28 0.359 1.444 -7.970 1.00 0.60 H new ATOM 0 HB3 PHE B 28 1.407 1.787 -9.332 1.00 0.60 H new ATOM 0 HD1 PHE B 28 -1.858 2.448 -7.814 1.00 1.60 H new ATOM 0 HD2 PHE B 28 0.682 3.283 -11.123 1.00 1.62 H new ATOM 0 HE1 PHE B 28 -3.303 4.332 -8.442 1.00 1.98 H new ATOM 0 HE2 PHE B 28 -0.753 5.174 -11.752 1.00 1.96 H new ATOM 0 HZ PHE B 28 -2.753 5.701 -10.413 1.00 1.83 H new ATOM 1302 N LEU B 29 1.004 -1.409 -8.369 1.00 0.45 N ATOM 1303 CA LEU B 29 1.906 -2.534 -8.131 1.00 0.45 C ATOM 1304 C LEU B 29 1.629 -3.673 -9.116 1.00 0.45 C ATOM 1305 O LEU B 29 2.550 -4.381 -9.522 1.00 0.48 O ATOM 1306 CB LEU B 29 1.805 -3.036 -6.685 1.00 0.53 C ATOM 1307 CG LEU B 29 2.614 -2.248 -5.639 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.228 -0.774 -5.616 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.419 -2.860 -4.262 1.00 0.70 C ATOM 0 H LEU B 29 0.437 -1.140 -7.565 1.00 0.45 H new ATOM 0 HA LEU B 29 2.924 -2.179 -8.292 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.756 -3.023 -6.389 1.00 0.53 H new ATOM 0 HB3 LEU B 29 2.130 -4.076 -6.659 1.00 0.53 H new ATOM 0 HG LEU B 29 3.666 -2.309 -5.919 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.822 -0.254 -4.864 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.415 -0.333 -6.595 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.170 -0.679 -5.372 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.995 -2.296 -3.528 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.362 -2.828 -3.996 1.00 0.70 H new ATOM 0 HD23 LEU B 29 2.759 -3.895 -4.272 1.00 0.70 H new ATOM 1321 N HIS B 30 0.364 -3.830 -9.511 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.022 -4.809 -10.532 1.00 0.53 C ATOM 1323 C HIS B 30 0.718 -4.550 -11.841 1.00 0.48 C ATOM 1324 O HIS B 30 1.426 -5.416 -12.354 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.538 -4.749 -10.772 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.016 -5.518 -11.965 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.239 -4.934 -13.196 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -2.322 -6.825 -12.112 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.662 -5.850 -14.044 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.718 -7.005 -13.412 1.00 1.41 N ATOM 0 H HIS B 30 -0.416 -3.289 -9.137 1.00 0.47 H new ATOM 0 HA HIS B 30 0.248 -5.802 -10.172 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.047 -5.127 -9.886 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -1.832 -3.706 -10.888 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -2.098 -3.948 -13.415 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -2.265 -7.586 -11.348 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -2.919 -5.683 -15.080 1.00 1.38 H new ATOM 1339 N ASP B 31 0.543 -3.351 -12.377 1.00 0.48 N ATOM 1340 CA ASP B 31 1.156 -2.984 -13.646 1.00 0.52 C ATOM 1341 C ASP B 31 2.665 -2.854 -13.498 1.00 0.45 C ATOM 1342 O ASP B 31 3.411 -3.040 -14.455 1.00 0.50 O ATOM 1343 CB ASP B 31 0.547 -1.686 -14.177 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.852 -1.896 -14.725 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.719 -2.410 -13.984 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -1.088 -1.568 -15.908 1.00 1.79 O ATOM 0 H ASP B 31 -0.020 -2.614 -11.952 1.00 0.48 H new ATOM 0 HA ASP B 31 0.956 -3.776 -14.367 1.00 0.52 H new ATOM 0 HB2 ASP B 31 0.515 -0.947 -13.377 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.186 -1.280 -14.961 1.00 0.63 H new ATOM 1351 N GLN B 32 3.102 -2.548 -12.286 1.00 0.42 N ATOM 1352 CA GLN B 32 4.519 -2.519 -11.952 1.00 0.44 C ATOM 1353 C GLN B 32 5.145 -3.888 -12.200 1.00 0.38 C ATOM 1354 O GLN B 32 6.263 -3.993 -12.708 1.00 0.43 O ATOM 1355 CB GLN B 32 4.688 -2.122 -10.487 1.00 0.52 C ATOM 1356 CG GLN B 32 6.130 -1.974 -10.036 1.00 0.57 C ATOM 1357 CD GLN B 32 6.237 -1.698 -8.550 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.152 -1.014 -8.099 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.311 -2.242 -7.774 1.00 1.31 N ATOM 0 H GLN B 32 2.486 -2.313 -11.507 1.00 0.42 H new ATOM 0 HA GLN B 32 5.022 -1.787 -12.584 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.169 -1.179 -10.317 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.200 -2.871 -9.862 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.680 -2.884 -10.276 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.601 -1.162 -10.590 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.566 -2.804 -8.186 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.343 -2.099 -6.765 1.00 1.31 H new ATOM 1368 N LEU B 33 4.409 -4.937 -11.847 1.00 0.37 N ATOM 1369 CA LEU B 33 4.850 -6.303 -12.093 1.00 0.42 C ATOM 1370 C LEU B 33 4.915 -6.568 -13.587 1.00 0.46 C ATOM 1371 O LEU B 33 5.844 -7.198 -14.081 1.00 0.53 O ATOM 1372 CB LEU B 33 3.897 -7.307 -11.441 1.00 0.53 C ATOM 1373 CG LEU B 33 3.732 -7.165 -9.931 1.00 0.80 C ATOM 1374 CD1 LEU B 33 2.866 -8.288 -9.387 1.00 1.22 C ATOM 1375 CD2 LEU B 33 5.093 -7.142 -9.254 1.00 0.83 C ATOM 0 H LEU B 33 3.501 -4.865 -11.388 1.00 0.37 H new ATOM 0 HA LEU B 33 5.841 -6.424 -11.656 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.917 -7.208 -11.908 1.00 0.53 H new ATOM 0 HB3 LEU B 33 4.253 -8.314 -11.658 1.00 0.53 H new ATOM 0 HG LEU B 33 3.232 -6.221 -9.716 1.00 0.80 H new ATOM 0 HD11 LEU B 33 2.757 -8.174 -8.309 1.00 1.22 H new ATOM 0 HD12 LEU B 33 1.883 -8.250 -9.857 1.00 1.22 H new ATOM 0 HD13 LEU B 33 3.335 -9.247 -9.605 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.962 -7.040 -8.177 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.622 -8.070 -9.469 1.00 0.83 H new ATOM 0 HD23 LEU B 33 5.672 -6.299 -9.630 1.00 0.83 H new ATOM 1387 N ARG B 34 3.927 -6.054 -14.303 1.00 0.47 N ATOM 1388 CA ARG B 34 3.857 -6.229 -15.745 1.00 0.59 C ATOM 1389 C ARG B 34 5.005 -5.486 -16.426 1.00 0.58 C ATOM 1390 O ARG B 34 5.440 -5.859 -17.513 1.00 0.69 O ATOM 1391 CB ARG B 34 2.514 -5.730 -16.283 1.00 0.70 C ATOM 1392 CG ARG B 34 1.304 -6.325 -15.571 1.00 1.41 C ATOM 1393 CD ARG B 34 1.283 -7.845 -15.652 1.00 1.46 C ATOM 1394 NE ARG B 34 1.169 -8.332 -17.027 1.00 2.18 N ATOM 1395 CZ ARG B 34 1.106 -9.624 -17.356 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.144 -10.556 -16.411 1.00 2.19 N ATOM 1397 NH2 ARG B 34 1.007 -9.981 -18.630 1.00 3.50 N ATOM 0 H ARG B 34 3.160 -5.510 -13.907 1.00 0.47 H new ATOM 0 HA ARG B 34 3.946 -7.293 -15.966 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.479 -4.644 -16.193 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.450 -5.964 -17.346 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.312 -6.018 -14.525 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.391 -5.926 -16.013 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.194 -8.242 -15.204 1.00 1.46 H new ATOM 0 HD3 ARG B 34 0.447 -8.225 -15.065 1.00 1.46 H new ATOM 0 HE ARG B 34 1.136 -7.643 -17.779 1.00 2.18 H new ATOM 0 HH11 ARG B 34 1.222 -10.285 -15.431 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.096 -11.543 -16.665 1.00 2.19 H new ATOM 0 HH21 ARG B 34 0.979 -9.268 -19.359 1.00 3.50 H new ATOM 0 HH22 ARG B 34 0.959 -10.969 -18.881 1.00 3.50 H new ATOM 1411 N HIS B 35 5.499 -4.440 -15.769 1.00 0.53 N ATOM 1412 CA HIS B 35 6.622 -3.666 -16.290 1.00 0.59 C ATOM 1413 C HIS B 35 7.951 -4.289 -15.878 1.00 0.58 C ATOM 1414 O HIS B 35 9.008 -3.918 -16.384 1.00 0.74 O ATOM 1415 CB HIS B 35 6.570 -2.215 -15.795 1.00 0.59 C ATOM 1416 CG HIS B 35 5.393 -1.436 -16.296 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.706 -0.528 -15.519 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.785 -1.426 -17.506 1.00 1.62 C ATOM 1419 CE1 HIS B 35 3.726 0.001 -16.225 1.00 2.69 C ATOM 1420 NE2 HIS B 35 3.753 -0.525 -17.434 1.00 2.43 N ATOM 0 H HIS B 35 5.139 -4.109 -14.874 1.00 0.53 H new ATOM 0 HA HIS B 35 6.543 -3.674 -17.377 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.554 -2.215 -14.705 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.484 -1.706 -16.100 1.00 0.59 H new ATOM 0 HD2 HIS B 35 5.061 -2.017 -18.367 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.021 0.740 -15.873 1.00 2.69 H new ATOM 0 HE2 HIS B 35 3.110 -0.299 -18.193 1.00 2.43 H new ATOM 1429 N GLY B 36 7.885 -5.240 -14.954 1.00 0.49 N ATOM 1430 CA GLY B 36 9.082 -5.893 -14.464 1.00 0.51 C ATOM 1431 C GLY B 36 9.887 -4.998 -13.546 1.00 0.47 C ATOM 1432 O GLY B 36 11.116 -4.989 -13.604 1.00 0.53 O ATOM 0 H GLY B 36 7.017 -5.572 -14.533 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.805 -6.803 -13.931 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.701 -6.195 -15.309 1.00 0.51 H new ATOM 1436 N GLY B 37 9.191 -4.242 -12.703 1.00 0.41 N ATOM 1437 CA GLY B 37 9.854 -3.311 -11.805 1.00 0.40 C ATOM 1438 C GLY B 37 10.743 -3.999 -10.787 1.00 0.39 C ATOM 1439 O GLY B 37 11.917 -3.658 -10.649 1.00 0.53 O ATOM 0 H GLY B 37 8.174 -4.257 -12.625 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.454 -2.615 -12.391 1.00 0.40 H new ATOM 0 HA3 GLY B 37 9.101 -2.721 -11.282 1.00 0.40 H new ATOM 1443 N LEU B 38 10.189 -4.970 -10.076 1.00 0.36 N ATOM 1444 CA LEU B 38 10.934 -5.693 -9.050 1.00 0.41 C ATOM 1445 C LEU B 38 11.578 -6.943 -9.639 1.00 0.49 C ATOM 1446 O LEU B 38 11.392 -7.247 -10.819 1.00 0.83 O ATOM 1447 CB LEU B 38 10.017 -6.092 -7.879 1.00 0.44 C ATOM 1448 CG LEU B 38 9.544 -4.958 -6.952 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.730 -4.199 -6.383 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.600 -4.013 -7.674 1.00 0.47 C ATOM 0 H LEU B 38 9.223 -5.278 -10.190 1.00 0.36 H new ATOM 0 HA LEU B 38 11.712 -5.028 -8.675 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.136 -6.585 -8.290 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.542 -6.830 -7.273 1.00 0.44 H new ATOM 0 HG LEU B 38 8.996 -5.411 -6.126 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.373 -3.402 -5.731 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.359 -4.882 -5.811 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.311 -3.768 -7.198 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.284 -3.223 -6.992 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.111 -3.571 -8.529 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.726 -4.565 -8.020 1.00 0.47 H new ATOM 1462 N SER B 39 12.342 -7.657 -8.823 1.00 0.47 N ATOM 1463 CA SER B 39 12.889 -8.945 -9.224 1.00 0.54 C ATOM 1464 C SER B 39 11.766 -9.979 -9.252 1.00 0.48 C ATOM 1465 O SER B 39 10.740 -9.776 -8.611 1.00 0.45 O ATOM 1466 CB SER B 39 13.998 -9.376 -8.258 1.00 0.67 C ATOM 1467 OG SER B 39 14.593 -10.597 -8.663 1.00 1.42 O ATOM 0 H SER B 39 12.597 -7.365 -7.879 1.00 0.47 H new ATOM 0 HA SER B 39 13.324 -8.862 -10.220 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.760 -8.598 -8.206 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.586 -9.486 -7.255 1.00 0.67 H new ATOM 0 HG SER B 39 15.297 -10.844 -8.028 1.00 1.42 H new ATOM 1473 N SER B 40 11.949 -11.071 -9.989 1.00 0.59 N ATOM 1474 CA SER B 40 10.885 -12.056 -10.194 1.00 0.61 C ATOM 1475 C SER B 40 10.278 -12.517 -8.867 1.00 0.53 C ATOM 1476 O SER B 40 9.057 -12.500 -8.698 1.00 0.49 O ATOM 1477 CB SER B 40 11.417 -13.257 -10.976 1.00 0.77 C ATOM 1478 OG SER B 40 10.360 -14.086 -11.438 1.00 1.63 O ATOM 0 H SER B 40 12.826 -11.299 -10.457 1.00 0.59 H new ATOM 0 HA SER B 40 10.096 -11.574 -10.771 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.005 -12.908 -11.825 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.086 -13.838 -10.342 1.00 0.77 H new ATOM 0 HG SER B 40 9.566 -13.945 -10.881 1.00 1.63 H new ATOM 1484 N ASP B 41 11.134 -12.897 -7.923 1.00 0.57 N ATOM 1485 CA ASP B 41 10.683 -13.377 -6.615 1.00 0.58 C ATOM 1486 C ASP B 41 9.821 -12.334 -5.916 1.00 0.53 C ATOM 1487 O ASP B 41 8.788 -12.653 -5.325 1.00 0.55 O ATOM 1488 CB ASP B 41 11.880 -13.726 -5.728 1.00 0.71 C ATOM 1489 CG ASP B 41 12.692 -14.881 -6.270 1.00 1.26 C ATOM 1490 OD1 ASP B 41 13.532 -14.654 -7.165 1.00 2.21 O ATOM 1491 OD2 ASP B 41 12.503 -16.020 -5.797 1.00 1.69 O ATOM 0 H ASP B 41 12.147 -12.883 -8.037 1.00 0.57 H new ATOM 0 HA ASP B 41 10.084 -14.273 -6.781 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.522 -12.850 -5.630 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.525 -13.975 -4.728 1.00 0.71 H new ATOM 1496 N ALA B 42 10.251 -11.084 -5.995 1.00 0.51 N ATOM 1497 CA ALA B 42 9.526 -9.980 -5.387 1.00 0.50 C ATOM 1498 C ALA B 42 8.261 -9.658 -6.177 1.00 0.47 C ATOM 1499 O ALA B 42 7.247 -9.255 -5.608 1.00 0.52 O ATOM 1500 CB ALA B 42 10.426 -8.760 -5.302 1.00 0.54 C ATOM 0 H ALA B 42 11.106 -10.808 -6.479 1.00 0.51 H new ATOM 0 HA ALA B 42 9.226 -10.272 -4.381 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.879 -7.935 -4.846 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.301 -8.995 -4.695 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.746 -8.473 -6.304 1.00 0.54 H new ATOM 1506 N GLN B 43 8.332 -9.844 -7.488 1.00 0.44 N ATOM 1507 CA GLN B 43 7.211 -9.577 -8.378 1.00 0.45 C ATOM 1508 C GLN B 43 6.013 -10.449 -8.038 1.00 0.45 C ATOM 1509 O GLN B 43 4.972 -9.953 -7.612 1.00 0.48 O ATOM 1510 CB GLN B 43 7.616 -9.813 -9.830 1.00 0.49 C ATOM 1511 CG GLN B 43 8.408 -8.667 -10.437 1.00 0.82 C ATOM 1512 CD GLN B 43 8.742 -8.895 -11.895 1.00 0.85 C ATOM 1513 OE1 GLN B 43 7.986 -8.512 -12.781 1.00 1.57 O ATOM 1514 NE2 GLN B 43 9.879 -9.517 -12.154 1.00 1.12 N ATOM 0 H GLN B 43 9.168 -10.184 -7.964 1.00 0.44 H new ATOM 0 HA GLN B 43 6.928 -8.533 -8.244 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.210 -10.725 -9.889 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.719 -9.979 -10.426 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.836 -7.744 -10.340 1.00 0.82 H new ATOM 0 HG3 GLN B 43 9.331 -8.531 -9.874 1.00 0.82 H new ATOM 0 HE21 GLN B 43 10.481 -9.820 -11.388 1.00 1.12 H new ATOM 0 HE22 GLN B 43 10.155 -9.694 -13.120 1.00 1.12 H new ATOM 1523 N GLU B 44 6.172 -11.747 -8.241 1.00 0.49 N ATOM 1524 CA GLU B 44 5.134 -12.716 -7.895 1.00 0.54 C ATOM 1525 C GLU B 44 4.652 -12.525 -6.454 1.00 0.51 C ATOM 1526 O GLU B 44 3.478 -12.752 -6.150 1.00 0.50 O ATOM 1527 CB GLU B 44 5.641 -14.150 -8.090 1.00 0.68 C ATOM 1528 CG GLU B 44 5.673 -14.613 -9.543 1.00 1.20 C ATOM 1529 CD GLU B 44 6.715 -13.903 -10.384 1.00 1.65 C ATOM 1530 OE1 GLU B 44 7.859 -14.396 -10.463 1.00 2.20 O ATOM 1531 OE2 GLU B 44 6.390 -12.860 -10.986 1.00 2.36 O ATOM 0 H GLU B 44 7.013 -12.159 -8.645 1.00 0.49 H new ATOM 0 HA GLU B 44 4.291 -12.545 -8.565 1.00 0.54 H new ATOM 0 HB2 GLU B 44 6.646 -14.227 -7.674 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.007 -14.828 -7.519 1.00 0.68 H new ATOM 0 HG2 GLU B 44 5.866 -15.685 -9.570 1.00 1.20 H new ATOM 0 HG3 GLU B 44 4.690 -14.455 -9.988 1.00 1.20 H new ATOM 1538 N SER B 45 5.554 -12.081 -5.582 1.00 0.54 N ATOM 1539 CA SER B 45 5.220 -11.837 -4.186 1.00 0.59 C ATOM 1540 C SER B 45 4.188 -10.708 -4.062 1.00 0.55 C ATOM 1541 O SER B 45 3.257 -10.798 -3.259 1.00 0.58 O ATOM 1542 CB SER B 45 6.488 -11.504 -3.392 1.00 0.71 C ATOM 1543 OG SER B 45 6.248 -11.525 -1.995 1.00 1.04 O ATOM 0 H SER B 45 6.525 -11.883 -5.822 1.00 0.54 H new ATOM 0 HA SER B 45 4.777 -12.742 -3.771 1.00 0.59 H new ATOM 0 HB2 SER B 45 7.271 -12.221 -3.638 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.853 -10.520 -3.684 1.00 0.71 H new ATOM 0 HG SER B 45 6.320 -10.616 -1.637 1.00 1.04 H new ATOM 1549 N LEU B 46 4.341 -9.653 -4.866 1.00 0.56 N ATOM 1550 CA LEU B 46 3.370 -8.558 -4.875 1.00 0.60 C ATOM 1551 C LEU B 46 2.010 -9.059 -5.323 1.00 0.50 C ATOM 1552 O LEU B 46 0.991 -8.685 -4.758 1.00 0.48 O ATOM 1553 CB LEU B 46 3.799 -7.414 -5.803 1.00 0.74 C ATOM 1554 CG LEU B 46 4.959 -6.547 -5.313 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.153 -5.340 -6.219 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.721 -6.093 -3.882 1.00 1.14 C ATOM 0 H LEU B 46 5.120 -9.535 -5.513 1.00 0.56 H new ATOM 0 HA LEU B 46 3.317 -8.178 -3.855 1.00 0.60 H new ATOM 0 HB2 LEU B 46 4.073 -7.840 -6.768 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.937 -6.769 -5.973 1.00 0.74 H new ATOM 0 HG LEU B 46 5.866 -7.151 -5.342 1.00 0.75 H new ATOM 0 HD11 LEU B 46 5.984 -4.738 -5.850 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.371 -5.677 -7.232 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.244 -4.739 -6.224 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.558 -5.477 -3.552 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.801 -5.511 -3.833 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.634 -6.965 -3.233 1.00 1.14 H new ATOM 1568 N GLU B 47 2.009 -9.912 -6.337 1.00 0.49 N ATOM 1569 CA GLU B 47 0.773 -10.435 -6.902 1.00 0.48 C ATOM 1570 C GLU B 47 -0.020 -11.209 -5.848 1.00 0.43 C ATOM 1571 O GLU B 47 -1.243 -11.083 -5.762 1.00 0.45 O ATOM 1572 CB GLU B 47 1.092 -11.315 -8.111 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.133 -11.867 -8.817 1.00 0.81 C ATOM 1574 CD GLU B 47 0.221 -12.566 -10.109 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.664 -13.730 -10.059 1.00 1.75 O ATOM 1576 OE2 GLU B 47 0.080 -11.944 -11.183 1.00 1.52 O ATOM 0 H GLU B 47 2.856 -10.259 -6.788 1.00 0.49 H new ATOM 0 HA GLU B 47 0.152 -9.602 -7.232 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.678 -10.735 -8.824 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.717 -12.147 -7.786 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -0.647 -12.565 -8.157 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.828 -11.054 -9.024 1.00 0.81 H new ATOM 1583 N VAL B 48 0.686 -11.988 -5.033 1.00 0.41 N ATOM 1584 CA VAL B 48 0.059 -12.706 -3.929 1.00 0.42 C ATOM 1585 C VAL B 48 -0.525 -11.718 -2.923 1.00 0.41 C ATOM 1586 O VAL B 48 -1.650 -11.886 -2.443 1.00 0.43 O ATOM 1587 CB VAL B 48 1.065 -13.630 -3.209 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.401 -14.366 -2.055 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.672 -14.621 -4.184 1.00 0.48 C ATOM 0 H VAL B 48 1.691 -12.138 -5.117 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.736 -13.322 -4.349 1.00 0.42 H new ATOM 0 HB VAL B 48 1.861 -13.006 -2.803 1.00 0.45 H new ATOM 0 HG11 VAL B 48 1.132 -15.010 -1.565 1.00 0.49 H new ATOM 0 HG12 VAL B 48 0.015 -13.643 -1.336 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.420 -14.973 -2.435 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.378 -15.263 -3.658 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.882 -15.232 -4.621 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.193 -14.081 -4.975 1.00 0.48 H new ATOM 1599 N ALA B 49 0.248 -10.680 -2.625 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.184 -9.635 -1.708 1.00 0.43 C ATOM 1601 C ALA B 49 -1.422 -8.925 -2.237 1.00 0.43 C ATOM 1602 O ALA B 49 -2.363 -8.669 -1.493 1.00 0.48 O ATOM 1603 CB ALA B 49 0.937 -8.632 -1.486 1.00 0.44 C ATOM 0 H ALA B 49 1.183 -10.541 -3.009 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.437 -10.102 -0.756 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.600 -7.856 -0.798 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.803 -9.142 -1.062 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.213 -8.178 -2.438 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.410 -8.626 -3.528 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.509 -7.932 -4.185 1.00 0.41 C ATOM 1611 C ILE B 50 -3.824 -8.689 -4.021 1.00 0.38 C ATOM 1612 O ILE B 50 -4.847 -8.098 -3.672 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.203 -7.722 -5.686 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.076 -6.698 -5.856 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.449 -7.279 -6.438 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.641 -6.499 -7.293 1.00 0.62 C ATOM 0 H ILE B 50 -0.636 -8.858 -4.151 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.615 -6.959 -3.706 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.878 -8.673 -6.108 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.403 -5.741 -5.450 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.216 -7.017 -5.267 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.207 -7.138 -7.491 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.222 -8.041 -6.342 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.811 -6.340 -6.020 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.159 -5.760 -7.332 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.282 -7.445 -7.699 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.487 -6.149 -7.884 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.790 -9.998 -4.252 1.00 0.39 N ATOM 1629 CA GLN B 51 -4.983 -10.829 -4.106 1.00 0.43 C ATOM 1630 C GLN B 51 -5.499 -10.780 -2.670 1.00 0.43 C ATOM 1631 O GLN B 51 -6.707 -10.729 -2.427 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.682 -12.276 -4.498 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.185 -12.438 -5.926 1.00 0.78 C ATOM 1634 CD GLN B 51 -5.146 -11.868 -6.952 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -6.360 -11.843 -6.744 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.608 -11.408 -8.069 1.00 1.35 N ATOM 0 H GLN B 51 -2.953 -10.506 -4.540 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.752 -10.436 -4.771 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.933 -12.679 -3.816 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.585 -12.872 -4.368 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.218 -11.945 -6.027 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.026 -13.496 -6.133 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -3.597 -11.447 -8.202 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -5.204 -11.014 -8.797 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.572 -10.784 -1.726 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.918 -10.733 -0.316 1.00 0.52 C ATOM 1647 C CYS B 52 -5.462 -9.354 0.059 1.00 0.53 C ATOM 1648 O CYS B 52 -6.430 -9.246 0.808 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.693 -11.079 0.528 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.992 -12.704 0.165 1.00 0.69 S ATOM 0 H CYS B 52 -3.570 -10.822 -1.913 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.701 -11.465 -0.118 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.927 -10.320 0.369 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.967 -11.039 1.582 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.313 -12.646 -0.942 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.848 -8.307 -0.481 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.294 -6.939 -0.237 1.00 0.53 C ATOM 1658 C LEU B 53 -6.688 -6.720 -0.809 1.00 0.50 C ATOM 1659 O LEU B 53 -7.529 -6.070 -0.185 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.311 -5.941 -0.854 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.915 -5.929 -0.227 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -1.962 -5.100 -1.069 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.972 -5.386 1.193 1.00 0.61 C ATOM 0 H LEU B 53 -4.036 -8.380 -1.094 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.331 -6.778 0.840 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.213 -6.162 -1.917 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.736 -4.940 -0.775 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.546 -6.954 -0.192 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -0.974 -5.102 -0.609 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.897 -5.526 -2.070 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.330 -4.076 -1.133 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.970 -5.385 1.623 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.361 -4.368 1.178 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.625 -6.015 1.797 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.925 -7.278 -1.992 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.233 -7.212 -2.633 1.00 0.50 C ATOM 1677 C GLU B 54 -9.295 -7.830 -1.733 1.00 0.56 C ATOM 1678 O GLU B 54 -10.333 -7.223 -1.465 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.192 -7.944 -3.981 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.539 -8.017 -4.679 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.484 -8.760 -5.994 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.149 -8.141 -7.021 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.789 -9.971 -6.013 1.00 1.66 O ATOM 0 H GLU B 54 -6.222 -7.785 -2.530 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.488 -6.166 -2.804 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.481 -7.441 -4.636 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.819 -8.956 -3.823 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.257 -8.507 -4.021 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.906 -7.006 -4.855 1.00 0.73 H new ATOM 1690 N THR B 55 -9.012 -9.032 -1.254 1.00 0.61 N ATOM 1691 CA THR B 55 -9.926 -9.750 -0.379 1.00 0.77 C ATOM 1692 C THR B 55 -10.093 -9.023 0.959 1.00 0.83 C ATOM 1693 O THR B 55 -11.156 -9.063 1.576 1.00 0.98 O ATOM 1694 CB THR B 55 -9.412 -11.185 -0.130 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.108 -11.818 -1.383 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.443 -12.015 0.620 1.00 1.15 C ATOM 0 H THR B 55 -8.148 -9.534 -1.459 1.00 0.61 H new ATOM 0 HA THR B 55 -10.897 -9.794 -0.873 1.00 0.77 H new ATOM 0 HB THR B 55 -8.511 -11.121 0.480 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.255 -11.477 -1.723 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.054 -13.020 0.781 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.655 -11.549 1.583 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.361 -12.071 0.035 1.00 1.15 H new ATOM 1704 N ALA B 56 -9.040 -8.336 1.382 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.032 -7.652 2.665 1.00 0.87 C ATOM 1706 C ALA B 56 -9.829 -6.353 2.621 1.00 0.88 C ATOM 1707 O ALA B 56 -10.806 -6.189 3.347 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.607 -7.374 3.094 1.00 0.89 C ATOM 0 H ALA B 56 -8.175 -8.238 0.850 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.511 -8.307 3.393 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -7.610 -6.861 4.056 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -7.065 -8.315 3.186 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.119 -6.745 2.349 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.419 -5.436 1.753 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.068 -4.137 1.656 1.00 1.05 C ATOM 1716 C PHE B 57 -11.466 -4.263 1.066 1.00 1.57 C ATOM 1717 O PHE B 57 -12.288 -3.356 1.189 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.233 -3.193 0.793 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.053 -2.582 1.497 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.203 -1.426 2.247 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -6.791 -3.146 1.389 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -7.118 -0.843 2.874 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -5.704 -2.570 2.019 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.867 -1.416 2.761 1.00 0.92 C ATOM 0 H PHE B 57 -8.641 -5.569 1.107 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.153 -3.730 2.664 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -8.876 -3.740 -0.080 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -9.876 -2.392 0.427 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.180 -0.975 2.343 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -6.656 -4.045 0.806 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -7.249 0.060 3.452 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -4.727 -3.022 1.931 1.00 1.50 H new ATOM 0 HZ PHE B 57 -5.018 -0.963 3.251 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.725 -5.393 0.419 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.023 -5.628 -0.173 1.00 2.29 C ATOM 1736 C GLY B 58 -13.190 -4.884 -1.477 1.00 2.05 C ATOM 1737 O GLY B 58 -14.303 -4.730 -1.978 1.00 2.60 O ATOM 0 H GLY B 58 -11.055 -6.152 0.295 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.156 -6.696 -0.345 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.802 -5.318 0.524 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.079 -4.418 -2.025 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.109 -3.660 -3.261 1.00 1.13 C ATOM 1743 C VAL B 59 -11.784 -4.550 -4.445 1.00 1.04 C ATOM 1744 O VAL B 59 -10.948 -5.442 -4.356 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.147 -2.455 -3.234 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.592 -1.446 -2.191 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.709 -2.882 -2.970 1.00 1.00 C ATOM 0 H VAL B 59 -11.147 -4.552 -1.632 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.122 -3.273 -3.366 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.179 -1.991 -4.220 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.903 -0.602 -2.184 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.595 -1.094 -2.430 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.598 -1.917 -1.208 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -9.065 -2.003 -2.959 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.651 -3.387 -2.006 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.381 -3.562 -3.756 1.00 1.00 H new ATOM 1757 N THR B 60 -12.461 -4.302 -5.547 1.00 1.17 N ATOM 1758 CA THR B 60 -12.300 -5.102 -6.746 1.00 1.30 C ATOM 1759 C THR B 60 -11.881 -4.225 -7.915 1.00 1.16 C ATOM 1760 O THR B 60 -11.567 -3.046 -7.730 1.00 1.14 O ATOM 1761 CB THR B 60 -13.606 -5.833 -7.106 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.674 -4.884 -7.241 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.966 -6.865 -6.048 1.00 2.38 C ATOM 0 H THR B 60 -13.136 -3.543 -5.638 1.00 1.17 H new ATOM 0 HA THR B 60 -11.525 -5.842 -6.546 1.00 1.30 H new ATOM 0 HB THR B 60 -13.456 -6.352 -8.053 1.00 1.94 H new ATOM 0 HG1 THR B 60 -14.655 -4.260 -6.485 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.893 -7.366 -6.329 1.00 2.38 H new ATOM 0 HG22 THR B 60 -13.165 -7.601 -5.970 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.098 -6.369 -5.086 1.00 2.38 H new ATOM 1771 N VAL B 61 -11.868 -4.791 -9.114 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.567 -4.023 -10.313 1.00 1.59 C ATOM 1773 C VAL B 61 -12.583 -2.888 -10.497 1.00 1.83 C ATOM 1774 O VAL B 61 -12.253 -1.830 -11.024 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.535 -4.925 -11.570 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -12.902 -5.530 -11.853 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.020 -4.154 -12.777 1.00 1.95 C ATOM 0 H VAL B 61 -12.062 -5.778 -9.282 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.575 -3.589 -10.186 1.00 1.59 H new ATOM 0 HB VAL B 61 -10.846 -5.746 -11.372 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -12.845 -6.158 -12.742 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.216 -6.134 -11.002 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.626 -4.732 -12.018 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.007 -4.809 -13.648 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -11.674 -3.304 -12.972 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.010 -3.796 -12.576 1.00 1.95 H new ATOM 1787 N GLU B 62 -13.811 -3.105 -10.024 1.00 1.89 N ATOM 1788 CA GLU B 62 -14.861 -2.094 -10.106 1.00 2.15 C ATOM 1789 C GLU B 62 -14.542 -0.918 -9.193 1.00 1.63 C ATOM 1790 O GLU B 62 -14.669 0.249 -9.580 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.209 -2.704 -9.722 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.687 -3.766 -10.696 1.00 3.13 C ATOM 1793 CD GLU B 62 -16.904 -3.213 -12.087 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.011 -2.706 -12.363 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -15.972 -3.279 -12.915 1.00 4.00 O ATOM 0 H GLU B 62 -14.102 -3.976 -9.579 1.00 1.89 H new ATOM 0 HA GLU B 62 -14.914 -1.733 -11.133 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.131 -3.142 -8.727 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -16.955 -1.912 -9.664 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -15.955 -4.573 -10.738 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.618 -4.199 -10.330 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.123 -1.231 -7.977 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.712 -0.212 -7.029 1.00 1.61 C ATOM 1804 C ASP B 63 -12.467 0.490 -7.547 1.00 1.59 C ATOM 1805 O ASP B 63 -12.354 1.712 -7.497 1.00 1.93 O ATOM 1806 CB ASP B 63 -13.424 -0.837 -5.664 1.00 1.89 C ATOM 1807 CG ASP B 63 -14.593 -1.622 -5.114 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -14.712 -2.821 -5.446 1.00 3.35 O ATOM 1809 OD2 ASP B 63 -15.391 -1.054 -4.341 1.00 3.62 O ATOM 0 H ASP B 63 -14.059 -2.186 -7.624 1.00 1.36 H new ATOM 0 HA ASP B 63 -14.519 0.512 -6.916 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.559 -1.495 -5.747 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -13.159 -0.049 -4.959 1.00 1.89 H new ATOM 1814 N SER B 64 -11.546 -0.299 -8.077 1.00 1.56 N ATOM 1815 CA SER B 64 -10.314 0.224 -8.648 1.00 1.82 C ATOM 1816 C SER B 64 -10.597 1.004 -9.930 1.00 1.73 C ATOM 1817 O SER B 64 -9.728 1.703 -10.449 1.00 1.91 O ATOM 1818 CB SER B 64 -9.344 -0.923 -8.929 1.00 2.42 C ATOM 1819 OG SER B 64 -9.102 -1.679 -7.754 1.00 2.92 O ATOM 0 H SER B 64 -11.630 -1.314 -8.124 1.00 1.56 H new ATOM 0 HA SER B 64 -9.861 0.907 -7.929 1.00 1.82 H new ATOM 0 HB2 SER B 64 -9.754 -1.570 -9.705 1.00 2.42 H new ATOM 0 HB3 SER B 64 -8.404 -0.525 -9.310 1.00 2.42 H new ATOM 0 HG SER B 64 -9.872 -2.257 -7.573 1.00 2.92 H new ATOM 1825 N ASP B 65 -11.814 0.869 -10.441 1.00 1.68 N ATOM 1826 CA ASP B 65 -12.217 1.567 -11.649 1.00 2.03 C ATOM 1827 C ASP B 65 -12.552 3.019 -11.341 1.00 1.91 C ATOM 1828 O ASP B 65 -12.269 3.906 -12.146 1.00 2.28 O ATOM 1829 CB ASP B 65 -13.413 0.878 -12.306 1.00 2.26 C ATOM 1830 CG ASP B 65 -13.804 1.530 -13.616 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -13.071 1.356 -14.611 1.00 3.46 O ATOM 1832 OD2 ASP B 65 -14.847 2.215 -13.660 1.00 3.35 O ATOM 0 H ASP B 65 -12.540 0.279 -10.034 1.00 1.68 H new ATOM 0 HA ASP B 65 -11.380 1.541 -12.347 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -13.174 -0.171 -12.482 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -14.263 0.901 -11.624 1.00 2.26 H new ATOM 1837 N LEU B 66 -13.150 3.273 -10.173 1.00 1.52 N ATOM 1838 CA LEU B 66 -13.415 4.653 -9.778 1.00 1.62 C ATOM 1839 C LEU B 66 -12.097 5.342 -9.450 1.00 1.45 C ATOM 1840 O LEU B 66 -11.848 6.453 -9.917 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.398 4.727 -8.587 1.00 1.77 C ATOM 1842 CG LEU B 66 -13.921 4.172 -7.240 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.294 5.270 -6.389 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.078 3.525 -6.495 1.00 1.57 C ATOM 0 H LEU B 66 -13.451 2.563 -9.505 1.00 1.52 H new ATOM 0 HA LEU B 66 -13.893 5.171 -10.610 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.673 5.772 -8.442 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.307 4.194 -8.867 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.161 3.416 -7.435 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.964 4.850 -5.439 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.439 5.694 -6.915 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.030 6.052 -6.204 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -14.724 3.136 -5.541 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.857 4.267 -6.318 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -15.484 2.708 -7.092 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.240 4.638 -8.703 1.00 1.30 N ATOM 1857 CA ALA B 67 -9.866 5.067 -8.436 1.00 1.26 C ATOM 1858 C ALA B 67 -9.733 6.549 -8.084 1.00 1.28 C ATOM 1859 O ALA B 67 -10.690 7.225 -7.691 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.002 4.731 -9.634 1.00 1.48 C ATOM 0 H ALA B 67 -11.483 3.750 -8.265 1.00 1.30 H new ATOM 0 HA ALA B 67 -9.531 4.526 -7.551 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -7.977 5.047 -9.443 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.023 3.655 -9.808 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -9.384 5.248 -10.514 1.00 1.48 H new ATOM 1866 N LEU B 68 -8.505 7.012 -8.168 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.185 8.420 -8.026 1.00 1.29 C ATOM 1868 C LEU B 68 -7.451 8.893 -9.276 1.00 1.56 C ATOM 1869 O LEU B 68 -6.476 8.278 -9.708 1.00 1.55 O ATOM 1870 CB LEU B 68 -7.327 8.649 -6.781 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.038 8.383 -5.453 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.053 8.418 -4.296 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.147 9.400 -5.236 1.00 1.18 C ATOM 0 H LEU B 68 -7.693 6.419 -8.338 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.106 8.992 -7.910 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -6.447 8.008 -6.841 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -6.972 9.679 -6.787 1.00 1.25 H new ATOM 0 HG LEU B 68 -8.479 7.387 -5.494 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -7.582 8.226 -3.362 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -6.290 7.654 -4.445 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -6.580 9.399 -4.250 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -9.645 9.199 -4.287 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -8.722 10.403 -5.217 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -9.871 9.328 -6.048 1.00 1.18 H new ATOM 1885 N PRO B 69 -7.961 9.989 -9.878 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.492 10.517 -11.170 1.00 2.36 C ATOM 1887 C PRO B 69 -5.988 10.749 -11.235 1.00 2.25 C ATOM 1888 O PRO B 69 -5.355 10.472 -12.255 1.00 2.62 O ATOM 1889 CB PRO B 69 -8.221 11.858 -11.313 1.00 2.75 C ATOM 1890 CG PRO B 69 -8.865 12.127 -9.995 1.00 2.57 C ATOM 1891 CD PRO B 69 -9.063 10.796 -9.337 1.00 2.06 C ATOM 0 HA PRO B 69 -7.699 9.800 -11.965 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -7.524 12.654 -11.575 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.966 11.813 -12.108 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.237 12.773 -9.381 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -9.818 12.640 -10.127 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -9.012 10.872 -8.251 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -10.035 10.366 -9.581 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.427 11.292 -10.169 1.00 1.85 N ATOM 1900 CA GLN B 70 -3.991 11.495 -10.093 1.00 1.82 C ATOM 1901 C GLN B 70 -3.347 10.239 -9.548 1.00 1.41 C ATOM 1902 O GLN B 70 -3.889 9.602 -8.642 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.635 12.715 -9.222 1.00 1.93 C ATOM 1904 CG GLN B 70 -4.030 12.614 -7.752 1.00 1.65 C ATOM 1905 CD GLN B 70 -5.536 12.614 -7.540 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -6.283 13.216 -8.315 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -5.994 11.947 -6.496 1.00 2.76 N ATOM 0 H GLN B 70 -5.943 11.600 -9.345 1.00 1.85 H new ATOM 0 HA GLN B 70 -3.610 11.699 -11.094 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.559 12.879 -9.280 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -4.115 13.596 -9.649 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -3.609 11.701 -7.330 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -3.592 13.449 -7.205 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -5.345 11.461 -5.877 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -6.996 11.918 -6.309 1.00 2.76 H new ATOM 1916 N THR B 71 -2.202 9.869 -10.100 1.00 1.34 N ATOM 1917 CA THR B 71 -1.590 8.622 -9.718 1.00 1.13 C ATOM 1918 C THR B 71 -1.079 8.713 -8.286 1.00 0.85 C ATOM 1919 O THR B 71 -0.499 9.721 -7.870 1.00 0.83 O ATOM 1920 CB THR B 71 -0.435 8.294 -10.685 1.00 1.22 C ATOM 1921 OG1 THR B 71 0.408 9.442 -10.844 1.00 1.53 O ATOM 1922 CG2 THR B 71 -0.974 7.875 -12.044 1.00 1.55 C ATOM 0 H THR B 71 -1.692 10.407 -10.800 1.00 1.34 H new ATOM 0 HA THR B 71 -2.330 7.823 -9.772 1.00 1.13 H new ATOM 0 HB THR B 71 0.140 7.470 -10.264 1.00 1.22 H new ATOM 0 HG1 THR B 71 1.192 9.200 -11.380 1.00 1.53 H new ATOM 0 HG21 THR B 71 -0.142 7.648 -12.711 1.00 1.55 H new ATOM 0 HG22 THR B 71 -1.600 6.990 -11.930 1.00 1.55 H new ATOM 0 HG23 THR B 71 -1.567 8.686 -12.466 1.00 1.55 H new ATOM 1930 N LEU B 72 -1.246 7.620 -7.560 1.00 0.80 N ATOM 1931 CA LEU B 72 -0.999 7.600 -6.129 1.00 0.66 C ATOM 1932 C LEU B 72 0.470 7.394 -5.788 1.00 0.66 C ATOM 1933 O LEU B 72 0.991 8.133 -4.971 1.00 0.67 O ATOM 1934 CB LEU B 72 -1.891 6.574 -5.438 1.00 0.78 C ATOM 1935 CG LEU B 72 -3.395 6.896 -5.454 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -3.633 8.372 -5.176 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -4.033 6.487 -6.772 1.00 1.79 C ATOM 0 H LEU B 72 -1.555 6.727 -7.944 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.260 8.587 -5.746 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -1.738 5.605 -5.913 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -1.568 6.475 -4.402 1.00 0.78 H new ATOM 0 HG LEU B 72 -3.868 6.317 -4.661 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -4.703 8.577 -5.192 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.229 8.627 -4.196 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.137 8.971 -5.940 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -5.096 6.728 -6.752 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -3.555 7.025 -7.590 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -3.907 5.415 -6.920 1.00 1.79 H new ATOM 1949 N PRO B 73 1.174 6.402 -6.384 1.00 0.75 N ATOM 1950 CA PRO B 73 2.619 6.251 -6.168 1.00 0.84 C ATOM 1951 C PRO B 73 3.371 7.560 -6.429 1.00 0.80 C ATOM 1952 O PRO B 73 4.372 7.855 -5.779 1.00 0.82 O ATOM 1953 CB PRO B 73 3.034 5.182 -7.180 1.00 1.03 C ATOM 1954 CG PRO B 73 1.796 4.401 -7.459 1.00 1.06 C ATOM 1955 CD PRO B 73 0.637 5.344 -7.261 1.00 0.84 C ATOM 0 HA PRO B 73 2.852 5.979 -5.138 1.00 0.84 H new ATOM 0 HB2 PRO B 73 3.427 5.634 -8.091 1.00 1.03 H new ATOM 0 HB3 PRO B 73 3.819 4.543 -6.777 1.00 1.03 H new ATOM 0 HG2 PRO B 73 1.807 4.009 -8.476 1.00 1.06 H new ATOM 0 HG3 PRO B 73 1.718 3.546 -6.788 1.00 1.06 H new ATOM 0 HD2 PRO B 73 0.290 5.752 -8.210 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -0.213 4.839 -6.801 1.00 0.84 H new ATOM 1963 N GLU B 74 2.857 8.347 -7.370 1.00 0.78 N ATOM 1964 CA GLU B 74 3.431 9.648 -7.694 1.00 0.78 C ATOM 1965 C GLU B 74 3.174 10.646 -6.565 1.00 0.64 C ATOM 1966 O GLU B 74 4.071 11.391 -6.166 1.00 0.64 O ATOM 1967 CB GLU B 74 2.831 10.164 -8.998 1.00 0.86 C ATOM 1968 CG GLU B 74 3.519 11.396 -9.556 1.00 1.21 C ATOM 1969 CD GLU B 74 2.868 11.882 -10.831 1.00 1.47 C ATOM 1970 OE1 GLU B 74 3.043 11.226 -11.879 1.00 1.67 O ATOM 1971 OE2 GLU B 74 2.165 12.914 -10.790 1.00 2.27 O ATOM 0 H GLU B 74 2.037 8.103 -7.925 1.00 0.78 H new ATOM 0 HA GLU B 74 4.509 9.536 -7.813 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.873 9.370 -9.743 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.778 10.393 -8.835 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.496 12.192 -8.812 1.00 1.21 H new ATOM 0 HG3 GLU B 74 4.568 11.169 -9.748 1.00 1.21 H new ATOM 1978 N ILE B 75 1.945 10.661 -6.049 1.00 0.58 N ATOM 1979 CA ILE B 75 1.629 11.468 -4.874 1.00 0.53 C ATOM 1980 C ILE B 75 2.469 11.010 -3.699 1.00 0.49 C ATOM 1981 O ILE B 75 3.005 11.818 -2.945 1.00 0.53 O ATOM 1982 CB ILE B 75 0.143 11.369 -4.466 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -0.754 12.024 -5.507 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.084 12.006 -3.099 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.211 12.017 -5.112 1.00 1.37 C ATOM 0 H ILE B 75 1.160 10.128 -6.423 1.00 0.58 H new ATOM 0 HA ILE B 75 1.845 12.503 -5.139 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.117 10.312 -4.406 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -0.430 13.053 -5.664 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -0.638 11.505 -6.458 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.137 11.926 -2.830 1.00 0.68 H new ATOM 0 HG22 ILE B 75 0.521 11.491 -2.353 1.00 0.68 H new ATOM 0 HG23 ILE B 75 0.202 13.057 -3.135 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -2.802 12.497 -5.892 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -2.548 10.988 -4.983 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -2.337 12.560 -4.176 1.00 1.37 H new ATOM 1997 N PHE B 76 2.592 9.700 -3.561 1.00 0.50 N ATOM 1998 CA PHE B 76 3.316 9.119 -2.450 1.00 0.56 C ATOM 1999 C PHE B 76 4.807 9.434 -2.572 1.00 0.59 C ATOM 2000 O PHE B 76 5.564 9.331 -1.610 1.00 0.72 O ATOM 2001 CB PHE B 76 3.088 7.600 -2.377 1.00 0.65 C ATOM 2002 CG PHE B 76 1.640 7.191 -2.232 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.668 8.108 -1.860 1.00 2.34 C ATOM 2004 CD2 PHE B 76 1.251 5.882 -2.475 1.00 2.12 C ATOM 2005 CE1 PHE B 76 -0.653 7.728 -1.735 1.00 2.35 C ATOM 2006 CE2 PHE B 76 -0.071 5.496 -2.348 1.00 2.24 C ATOM 2007 CZ PHE B 76 -1.023 6.422 -1.977 1.00 2.37 C ATOM 0 H PHE B 76 2.197 9.019 -4.209 1.00 0.50 H new ATOM 0 HA PHE B 76 2.939 9.558 -1.527 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.494 7.140 -3.278 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.652 7.201 -1.534 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.949 9.133 -1.666 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.992 5.153 -2.768 1.00 2.12 H new ATOM 0 HE1 PHE B 76 -1.398 8.455 -1.447 1.00 2.35 H new ATOM 0 HE2 PHE B 76 -0.357 4.472 -2.539 1.00 2.24 H new ATOM 0 HZ PHE B 76 -2.056 6.125 -1.876 1.00 2.37 H new ATOM 2017 N GLU B 77 5.215 9.820 -3.772 1.00 0.62 N ATOM 2018 CA GLU B 77 6.582 10.242 -4.027 1.00 0.73 C ATOM 2019 C GLU B 77 6.803 11.635 -3.441 1.00 0.69 C ATOM 2020 O GLU B 77 7.830 11.908 -2.821 1.00 0.79 O ATOM 2021 CB GLU B 77 6.839 10.231 -5.542 1.00 0.89 C ATOM 2022 CG GLU B 77 8.303 10.285 -5.960 1.00 1.56 C ATOM 2023 CD GLU B 77 8.941 11.643 -5.755 1.00 1.93 C ATOM 2024 OE1 GLU B 77 8.404 12.642 -6.278 1.00 2.40 O ATOM 2025 OE2 GLU B 77 9.993 11.716 -5.088 1.00 2.51 O ATOM 0 H GLU B 77 4.610 9.849 -4.592 1.00 0.62 H new ATOM 0 HA GLU B 77 7.283 9.557 -3.551 1.00 0.73 H new ATOM 0 HB2 GLU B 77 6.392 9.330 -5.962 1.00 0.89 H new ATOM 0 HB3 GLU B 77 6.321 11.080 -5.987 1.00 0.89 H new ATOM 0 HG2 GLU B 77 8.862 9.541 -5.393 1.00 1.56 H new ATOM 0 HG3 GLU B 77 8.383 10.010 -7.012 1.00 1.56 H new ATOM 2032 N ALA B 78 5.822 12.505 -3.632 1.00 0.60 N ATOM 2033 CA ALA B 78 5.921 13.889 -3.186 1.00 0.61 C ATOM 2034 C ALA B 78 5.443 14.071 -1.747 1.00 0.60 C ATOM 2035 O ALA B 78 6.211 14.463 -0.868 1.00 0.64 O ATOM 2036 CB ALA B 78 5.124 14.789 -4.117 1.00 0.64 C ATOM 0 H ALA B 78 4.943 12.276 -4.096 1.00 0.60 H new ATOM 0 HA ALA B 78 6.975 14.167 -3.214 1.00 0.61 H new ATOM 0 HB1 ALA B 78 5.202 15.822 -3.779 1.00 0.64 H new ATOM 0 HB2 ALA B 78 5.520 14.708 -5.129 1.00 0.64 H new ATOM 0 HB3 ALA B 78 4.078 14.483 -4.111 1.00 0.64 H new ATOM 2042 N ALA B 79 4.173 13.766 -1.516 1.00 0.64 N ATOM 2043 CA ALA B 79 3.508 14.098 -0.262 1.00 0.75 C ATOM 2044 C ALA B 79 3.872 13.148 0.869 1.00 0.86 C ATOM 2045 O ALA B 79 4.088 13.583 1.996 1.00 0.99 O ATOM 2046 CB ALA B 79 2.004 14.100 -0.462 1.00 0.83 C ATOM 0 H ALA B 79 3.577 13.284 -2.189 1.00 0.64 H new ATOM 0 HA ALA B 79 3.853 15.090 0.028 1.00 0.75 H new ATOM 0 HB1 ALA B 79 1.512 14.349 0.478 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.738 14.840 -1.217 1.00 0.83 H new ATOM 0 HB3 ALA B 79 1.679 13.113 -0.791 1.00 0.83 H new ATOM 2052 N ALA B 80 3.933 11.856 0.569 1.00 0.90 N ATOM 2053 CA ALA B 80 4.125 10.842 1.603 1.00 1.11 C ATOM 2054 C ALA B 80 5.450 11.022 2.329 1.00 1.26 C ATOM 2055 O ALA B 80 5.502 10.985 3.556 1.00 1.55 O ATOM 2056 CB ALA B 80 4.036 9.447 1.011 1.00 1.25 C ATOM 0 H ALA B 80 3.853 11.485 -0.378 1.00 0.90 H new ATOM 0 HA ALA B 80 3.325 10.967 2.332 1.00 1.11 H new ATOM 0 HB1 ALA B 80 4.182 8.708 1.798 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.055 9.306 0.558 1.00 1.25 H new ATOM 0 HB3 ALA B 80 4.807 9.324 0.251 1.00 1.25 H new ATOM 2062 N THR B 81 6.515 11.234 1.572 1.00 1.23 N ATOM 2063 CA THR B 81 7.840 11.381 2.155 1.00 1.46 C ATOM 2064 C THR B 81 8.116 12.846 2.501 1.00 1.63 C ATOM 2065 O THR B 81 9.260 13.243 2.738 1.00 1.88 O ATOM 2066 CB THR B 81 8.932 10.832 1.207 1.00 1.59 C ATOM 2067 OG1 THR B 81 10.195 10.755 1.881 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.072 11.705 -0.029 1.00 1.64 C ATOM 0 H THR B 81 6.489 11.308 0.555 1.00 1.23 H new ATOM 0 HA THR B 81 7.868 10.796 3.074 1.00 1.46 H new ATOM 0 HB THR B 81 8.627 9.832 0.899 1.00 1.59 H new ATOM 0 HG1 THR B 81 10.326 11.561 2.423 1.00 2.33 H new ATOM 0 HG21 THR B 81 9.846 11.296 -0.678 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.124 11.729 -0.566 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.346 12.717 0.269 1.00 1.64 H new ATOM 2076 N GLY B 82 7.057 13.639 2.538 1.00 1.68 N ATOM 2077 CA GLY B 82 7.179 15.041 2.863 1.00 2.13 C ATOM 2078 C GLY B 82 6.087 15.487 3.809 1.00 1.99 C ATOM 2079 O GLY B 82 5.433 14.659 4.442 1.00 2.59 O ATOM 0 H GLY B 82 6.104 13.330 2.346 1.00 1.68 H new ATOM 0 HA2 GLY B 82 8.153 15.227 3.316 1.00 2.13 H new ATOM 0 HA3 GLY B 82 7.134 15.633 1.949 1.00 2.13 H new ATOM 2083 N LYS B 83 5.882 16.787 3.906 1.00 1.88 N ATOM 2084 CA LYS B 83 4.864 17.329 4.789 1.00 2.11 C ATOM 2085 C LYS B 83 4.026 18.359 4.048 1.00 2.84 C ATOM 2086 O LYS B 83 4.343 19.560 4.134 1.00 3.19 O ATOM 2087 CB LYS B 83 5.509 17.959 6.028 1.00 2.30 C ATOM 2088 CG LYS B 83 6.332 16.981 6.851 1.00 2.77 C ATOM 2089 CD LYS B 83 6.994 17.671 8.032 1.00 3.43 C ATOM 2090 CE LYS B 83 7.861 16.710 8.829 1.00 3.92 C ATOM 2091 NZ LYS B 83 7.072 15.592 9.412 1.00 4.40 N ATOM 2092 OXT LYS B 83 3.069 17.961 3.354 1.00 3.61 O ATOM 0 H LYS B 83 6.407 17.489 3.384 1.00 1.88 H new ATOM 0 HA LYS B 83 4.215 16.516 5.115 1.00 2.11 H new ATOM 0 HB2 LYS B 83 6.148 18.784 5.714 1.00 2.30 H new ATOM 0 HB3 LYS B 83 4.727 18.383 6.658 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.691 16.176 7.210 1.00 2.77 H new ATOM 0 HG3 LYS B 83 7.095 16.524 6.220 1.00 2.77 H new ATOM 0 HD2 LYS B 83 7.604 18.500 7.674 1.00 3.43 H new ATOM 0 HD3 LYS B 83 6.229 18.095 8.682 1.00 3.43 H new ATOM 0 HE2 LYS B 83 8.639 16.305 8.183 1.00 3.92 H new ATOM 0 HE3 LYS B 83 8.363 17.254 9.629 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 7.609 15.156 10.188 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 6.170 15.958 9.778 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 6.884 14.880 8.678 1.00 4.40 H new TER 2106 LYS B 83