USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1038 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 ASN : amide:sc= -0.182 X(o=-3.4,f=-3.7) USER MOD Set 1.2: B 77 GLN : amide:sc= -3.19! C(o=-3.4!,f=-11!) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.155 X(o=-3.4,f=-3.8) USER MOD Set 2.2: A 77 GLN : amide:sc= -3.24! C(o=-3.4!,f=-11!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -175:sc= -0.855 (180deg=-1.02) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 67:sc= 1.24 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.547 (180deg=0.395) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 46 SER OG : rot 109:sc= 1.29 USER MOD Single : A 48 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.3!) USER MOD Single : A 51 MET CE :methyl -155:sc= -1.54 (180deg=-3.73!) USER MOD Single : A 53 CYS SG : rot 84:sc= -0.189 USER MOD Single : A 55 SER OG : rot 80:sc= 0.913 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -92:sc= 1.3 USER MOD Single : A 75 LYS NZ :NH3+ 140:sc= 0.0796 (180deg=-1.04!) USER MOD Single : A 78 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.015) USER MOD Single : A 84 ASN : amide:sc= -0.368 K(o=-0.37,f=-0.96) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0413 USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -172:sc= -0.832 (180deg=-0.97) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc=-0.00137 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 68:sc= 1.22 USER MOD Single : B 36 LYS NZ :NH3+ -168:sc= 0.512 (180deg=0.351) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0.00398 USER MOD Single : B 46 SER OG : rot 111:sc= 1.26 USER MOD Single : B 48 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.3!) USER MOD Single : B 51 MET CE :methyl -157:sc= -1.51! (180deg=-3.85!) USER MOD Single : B 53 CYS SG : rot 81:sc= -0.0547 USER MOD Single : B 55 SER OG : rot 80:sc= 0.912 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -89:sc= 1.23 USER MOD Single : B 75 LYS NZ :NH3+ 140:sc= 0.0396 (180deg=-1.1!) USER MOD Single : B 78 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.017) USER MOD Single : B 84 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 87 SER OG : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= -0.0514 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -14.936 -10.300 3.900 1.00 4.47 N ATOM 2 CA MET A 14 -13.958 -9.467 4.636 1.00 3.81 C ATOM 3 C MET A 14 -13.602 -10.111 5.979 1.00 2.82 C ATOM 4 O MET A 14 -13.543 -9.438 7.010 1.00 2.99 O ATOM 5 CB MET A 14 -14.518 -8.051 4.856 1.00 4.50 C ATOM 6 CG MET A 14 -15.830 -8.000 5.633 1.00 5.02 C ATOM 7 SD MET A 14 -17.230 -8.661 4.706 1.00 5.80 S ATOM 8 CE MET A 14 -18.524 -8.553 5.940 1.00 6.45 C ATOM 0 HA MET A 14 -13.050 -9.395 4.037 1.00 3.81 H new ATOM 0 HB2 MET A 14 -13.773 -7.459 5.387 1.00 4.50 H new ATOM 0 HB3 MET A 14 -14.667 -7.579 3.885 1.00 4.50 H new ATOM 0 HG2 MET A 14 -15.718 -8.562 6.560 1.00 5.02 H new ATOM 0 HG3 MET A 14 -16.041 -6.967 5.910 1.00 5.02 H new ATOM 0 HE1 MET A 14 -19.459 -8.926 5.521 1.00 6.45 H new ATOM 0 HE2 MET A 14 -18.250 -9.154 6.808 1.00 6.45 H new ATOM 0 HE3 MET A 14 -18.651 -7.514 6.244 1.00 6.45 H new ATOM 20 N MET A 15 -13.347 -11.418 5.951 1.00 2.12 N ATOM 21 CA MET A 15 -13.077 -12.185 7.168 1.00 1.95 C ATOM 22 C MET A 15 -11.883 -11.639 7.945 1.00 1.69 C ATOM 23 O MET A 15 -12.001 -11.318 9.126 1.00 2.48 O ATOM 24 CB MET A 15 -12.829 -13.658 6.834 1.00 2.52 C ATOM 25 CG MET A 15 -14.030 -14.366 6.232 1.00 3.07 C ATOM 26 SD MET A 15 -13.729 -16.125 5.957 1.00 3.93 S ATOM 27 CE MET A 15 -12.308 -16.074 4.866 1.00 4.73 C ATOM 0 H MET A 15 -13.321 -11.971 5.094 1.00 2.12 H new ATOM 0 HA MET A 15 -13.962 -12.091 7.797 1.00 1.95 H new ATOM 0 HB2 MET A 15 -11.993 -13.726 6.137 1.00 2.52 H new ATOM 0 HB3 MET A 15 -12.530 -14.181 7.743 1.00 2.52 H new ATOM 0 HG2 MET A 15 -14.888 -14.247 6.894 1.00 3.07 H new ATOM 0 HG3 MET A 15 -14.290 -13.893 5.285 1.00 3.07 H new ATOM 0 HE1 MET A 15 -12.063 -17.085 4.540 1.00 4.73 H new ATOM 0 HE2 MET A 15 -12.539 -15.458 3.997 1.00 4.73 H new ATOM 0 HE3 MET A 15 -11.457 -15.648 5.397 1.00 4.73 H new ATOM 37 N SER A 16 -10.739 -11.522 7.290 1.00 1.19 N ATOM 38 CA SER A 16 -9.529 -11.123 7.968 1.00 1.17 C ATOM 39 C SER A 16 -8.763 -10.094 7.155 1.00 1.05 C ATOM 40 O SER A 16 -8.972 -9.949 5.948 1.00 1.91 O ATOM 41 CB SER A 16 -8.644 -12.346 8.229 1.00 1.62 C ATOM 42 OG SER A 16 -9.339 -13.335 8.972 1.00 2.01 O ATOM 0 H SER A 16 -10.629 -11.699 6.291 1.00 1.19 H new ATOM 0 HA SER A 16 -9.807 -10.670 8.920 1.00 1.17 H new ATOM 0 HB2 SER A 16 -8.312 -12.767 7.280 1.00 1.62 H new ATOM 0 HB3 SER A 16 -7.750 -12.041 8.772 1.00 1.62 H new ATOM 0 HG SER A 16 -8.751 -14.104 9.123 1.00 2.01 H new ATOM 48 N ALA A 17 -7.902 -9.370 7.841 1.00 0.93 N ATOM 49 CA ALA A 17 -6.989 -8.436 7.210 1.00 0.81 C ATOM 50 C ALA A 17 -5.588 -8.635 7.767 1.00 0.69 C ATOM 51 O ALA A 17 -5.068 -7.794 8.502 1.00 0.70 O ATOM 52 CB ALA A 17 -7.453 -6.999 7.417 1.00 1.09 C ATOM 0 H ALA A 17 -7.815 -9.412 8.856 1.00 0.93 H new ATOM 0 HA ALA A 17 -6.975 -8.628 6.137 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.752 -6.317 6.935 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.443 -6.870 6.980 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.496 -6.781 8.484 1.00 1.09 H new ATOM 58 N SER A 18 -4.988 -9.762 7.425 1.00 0.64 N ATOM 59 CA SER A 18 -3.677 -10.111 7.934 1.00 0.61 C ATOM 60 C SER A 18 -2.601 -9.303 7.215 1.00 0.50 C ATOM 61 O SER A 18 -2.849 -8.747 6.142 1.00 0.45 O ATOM 62 CB SER A 18 -3.431 -11.615 7.780 1.00 0.66 C ATOM 63 OG SER A 18 -2.230 -12.017 8.419 1.00 1.32 O ATOM 0 H SER A 18 -5.392 -10.453 6.793 1.00 0.64 H new ATOM 0 HA SER A 18 -3.632 -9.868 8.996 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.271 -12.167 8.203 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.383 -11.870 6.721 1.00 0.66 H new ATOM 0 HG SER A 18 -2.105 -12.982 8.303 1.00 1.32 H new ATOM 69 N LYS A 19 -1.416 -9.245 7.797 1.00 0.50 N ATOM 70 CA LYS A 19 -0.379 -8.333 7.332 1.00 0.43 C ATOM 71 C LYS A 19 0.015 -8.633 5.886 1.00 0.34 C ATOM 72 O LYS A 19 0.002 -7.743 5.030 1.00 0.28 O ATOM 73 CB LYS A 19 0.850 -8.418 8.243 1.00 0.54 C ATOM 74 CG LYS A 19 0.516 -8.465 9.730 1.00 0.84 C ATOM 75 CD LYS A 19 -0.354 -7.294 10.160 1.00 1.12 C ATOM 76 CE LYS A 19 -0.705 -7.387 11.636 1.00 1.73 C ATOM 77 NZ LYS A 19 -1.635 -6.310 12.067 1.00 2.10 N ATOM 0 H LYS A 19 -1.145 -9.819 8.595 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.781 -7.320 7.369 1.00 0.43 H new ATOM 0 HB2 LYS A 19 1.423 -9.308 7.981 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.492 -7.558 8.052 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.002 -9.399 9.956 1.00 0.84 H new ATOM 0 HG3 LYS A 19 1.440 -8.461 10.309 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.169 -6.358 9.966 1.00 1.12 H new ATOM 0 HD3 LYS A 19 -1.268 -7.278 9.566 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -1.159 -8.357 11.838 1.00 1.73 H new ATOM 0 HE3 LYS A 19 0.209 -7.333 12.228 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -1.844 -6.417 13.080 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -1.194 -5.383 11.900 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -2.519 -6.376 11.523 1.00 2.10 H new ATOM 91 N GLU A 20 0.334 -9.896 5.615 1.00 0.41 N ATOM 92 CA GLU A 20 0.779 -10.314 4.288 1.00 0.41 C ATOM 93 C GLU A 20 -0.314 -10.108 3.241 1.00 0.34 C ATOM 94 O GLU A 20 -0.020 -9.857 2.075 1.00 0.30 O ATOM 95 CB GLU A 20 1.215 -11.782 4.305 1.00 0.57 C ATOM 96 CG GLU A 20 0.116 -12.742 4.732 1.00 0.64 C ATOM 97 CD GLU A 20 0.550 -14.189 4.670 1.00 0.95 C ATOM 98 OE1 GLU A 20 1.300 -14.631 5.565 1.00 1.49 O ATOM 99 OE2 GLU A 20 0.134 -14.899 3.730 1.00 1.57 O ATOM 0 H GLU A 20 0.292 -10.651 6.300 1.00 0.41 H new ATOM 0 HA GLU A 20 1.631 -9.691 4.017 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.562 -12.060 3.310 1.00 0.57 H new ATOM 0 HB3 GLU A 20 2.064 -11.892 4.980 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.195 -12.503 5.749 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -0.754 -12.600 4.091 1.00 0.64 H new ATOM 106 N GLU A 21 -1.569 -10.198 3.667 1.00 0.37 N ATOM 107 CA GLU A 21 -2.701 -10.032 2.762 1.00 0.39 C ATOM 108 C GLU A 21 -2.770 -8.594 2.269 1.00 0.32 C ATOM 109 O GLU A 21 -2.978 -8.332 1.083 1.00 0.34 O ATOM 110 CB GLU A 21 -4.000 -10.406 3.471 1.00 0.50 C ATOM 111 CG GLU A 21 -3.987 -11.802 4.070 1.00 0.61 C ATOM 112 CD GLU A 21 -5.310 -12.174 4.710 1.00 0.91 C ATOM 113 OE1 GLU A 21 -5.816 -11.400 5.544 1.00 1.49 O ATOM 114 OE2 GLU A 21 -5.851 -13.249 4.379 1.00 1.54 O ATOM 0 H GLU A 21 -1.829 -10.385 4.635 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.565 -10.692 1.905 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.193 -9.682 4.263 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.825 -10.332 2.763 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -3.748 -12.526 3.291 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.196 -11.866 4.817 1.00 0.61 H new ATOM 121 N ILE A 22 -2.580 -7.670 3.195 1.00 0.30 N ATOM 122 CA ILE A 22 -2.546 -6.253 2.875 1.00 0.28 C ATOM 123 C ILE A 22 -1.340 -5.946 1.998 1.00 0.24 C ATOM 124 O ILE A 22 -1.459 -5.296 0.958 1.00 0.26 O ATOM 125 CB ILE A 22 -2.468 -5.409 4.160 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.627 -5.775 5.090 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.487 -3.921 3.823 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.419 -5.335 6.518 1.00 0.44 C ATOM 0 H ILE A 22 -2.446 -7.879 4.184 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.462 -6.001 2.340 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.530 -5.624 4.672 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.543 -5.324 4.710 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.771 -6.855 5.069 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.431 -3.339 4.743 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.634 -3.681 3.189 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.410 -3.679 3.296 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.280 -5.628 7.118 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.521 -5.807 6.917 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.305 -4.251 6.552 1.00 0.44 H new ATOM 135 N ALA A 23 -0.183 -6.450 2.420 1.00 0.20 N ATOM 136 CA ALA A 23 1.063 -6.245 1.692 1.00 0.19 C ATOM 137 C ALA A 23 0.977 -6.819 0.282 1.00 0.20 C ATOM 138 O ALA A 23 1.616 -6.310 -0.637 1.00 0.20 O ATOM 139 CB ALA A 23 2.225 -6.868 2.448 1.00 0.20 C ATOM 0 H ALA A 23 -0.084 -7.007 3.269 1.00 0.20 H new ATOM 0 HA ALA A 23 1.233 -5.172 1.608 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.149 -6.707 1.892 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.308 -6.406 3.432 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.052 -7.938 2.563 1.00 0.20 H new ATOM 145 N ALA A 24 0.180 -7.871 0.124 1.00 0.22 N ATOM 146 CA ALA A 24 -0.028 -8.497 -1.175 1.00 0.25 C ATOM 147 C ALA A 24 -0.528 -7.484 -2.197 1.00 0.24 C ATOM 148 O ALA A 24 0.055 -7.333 -3.268 1.00 0.25 O ATOM 149 CB ALA A 24 -1.008 -9.652 -1.051 1.00 0.31 C ATOM 0 H ALA A 24 -0.336 -8.310 0.887 1.00 0.22 H new ATOM 0 HA ALA A 24 0.930 -8.883 -1.524 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.155 -10.111 -2.029 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.611 -10.393 -0.358 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.962 -9.281 -0.678 1.00 0.31 H new ATOM 155 N LEU A 25 -1.597 -6.772 -1.858 1.00 0.23 N ATOM 156 CA LEU A 25 -2.134 -5.752 -2.751 1.00 0.23 C ATOM 157 C LEU A 25 -1.168 -4.581 -2.883 1.00 0.22 C ATOM 158 O LEU A 25 -1.057 -3.979 -3.951 1.00 0.25 O ATOM 159 CB LEU A 25 -3.495 -5.253 -2.265 1.00 0.26 C ATOM 160 CG LEU A 25 -4.679 -6.170 -2.576 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.943 -5.622 -1.941 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.865 -6.311 -4.082 1.00 0.44 C ATOM 0 H LEU A 25 -2.105 -6.880 -0.980 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.264 -6.211 -3.731 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.445 -5.106 -1.186 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.686 -4.277 -2.712 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.473 -7.156 -2.160 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.780 -6.282 -2.168 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.811 -5.562 -0.861 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -6.147 -4.627 -2.337 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.712 -6.967 -4.284 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.053 -5.330 -4.519 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.963 -6.737 -4.522 1.00 0.44 H new ATOM 174 N ILE A 26 -0.463 -4.276 -1.801 1.00 0.21 N ATOM 175 CA ILE A 26 0.502 -3.184 -1.804 1.00 0.22 C ATOM 176 C ILE A 26 1.617 -3.441 -2.820 1.00 0.20 C ATOM 177 O ILE A 26 1.880 -2.605 -3.689 1.00 0.23 O ATOM 178 CB ILE A 26 1.116 -2.956 -0.402 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.023 -2.603 0.618 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.168 -1.857 -0.458 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.546 -2.357 2.018 1.00 0.27 C ATOM 0 H ILE A 26 -0.541 -4.769 -0.911 1.00 0.21 H new ATOM 0 HA ILE A 26 -0.040 -2.283 -2.090 1.00 0.22 H new ATOM 0 HB ILE A 26 1.596 -3.881 -0.081 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.505 -1.713 0.276 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.706 -3.413 0.650 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.591 -1.708 0.535 1.00 0.25 H new ATOM 0 HG22 ILE A 26 2.959 -2.146 -1.150 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.708 -0.930 -0.800 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.285 -2.114 2.679 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.048 -3.253 2.381 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.252 -1.527 2.002 1.00 0.27 H new ATOM 188 N VAL A 27 2.255 -4.607 -2.728 1.00 0.18 N ATOM 189 CA VAL A 27 3.343 -4.946 -3.640 1.00 0.20 C ATOM 190 C VAL A 27 2.819 -5.174 -5.052 1.00 0.22 C ATOM 191 O VAL A 27 3.503 -4.871 -6.030 1.00 0.24 O ATOM 192 CB VAL A 27 4.146 -6.190 -3.183 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.792 -5.943 -1.833 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.273 -7.436 -3.135 1.00 0.21 C ATOM 0 H VAL A 27 2.039 -5.326 -2.037 1.00 0.18 H new ATOM 0 HA VAL A 27 4.020 -4.092 -3.631 1.00 0.20 H new ATOM 0 HB VAL A 27 4.930 -6.363 -3.921 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.351 -6.828 -1.530 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.470 -5.092 -1.904 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.020 -5.731 -1.094 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.871 -8.287 -2.810 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.454 -7.280 -2.433 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.868 -7.635 -4.127 1.00 0.21 H new ATOM 198 N ASN A 28 1.596 -5.685 -5.156 1.00 0.26 N ATOM 199 CA ASN A 28 0.991 -5.943 -6.455 1.00 0.32 C ATOM 200 C ASN A 28 0.782 -4.640 -7.212 1.00 0.27 C ATOM 201 O ASN A 28 1.005 -4.576 -8.419 1.00 0.29 O ATOM 202 CB ASN A 28 -0.343 -6.675 -6.308 1.00 0.45 C ATOM 203 CG ASN A 28 -0.927 -7.072 -7.652 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.198 -7.354 -8.603 1.00 1.59 O ATOM 205 ND2 ASN A 28 -2.243 -7.098 -7.741 1.00 0.86 N ATOM 0 H ASN A 28 1.008 -5.927 -4.359 1.00 0.26 H new ATOM 0 HA ASN A 28 1.673 -6.580 -7.018 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.202 -7.566 -5.697 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.051 -6.036 -5.780 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.690 -7.358 -8.620 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -2.814 -6.858 -6.931 1.00 0.86 H new ATOM 212 N TYR A 29 0.371 -3.596 -6.497 1.00 0.25 N ATOM 213 CA TYR A 29 0.185 -2.289 -7.108 1.00 0.24 C ATOM 214 C TYR A 29 1.499 -1.781 -7.685 1.00 0.19 C ATOM 215 O TYR A 29 1.554 -1.352 -8.837 1.00 0.19 O ATOM 216 CB TYR A 29 -0.369 -1.279 -6.102 1.00 0.29 C ATOM 217 CG TYR A 29 -0.504 0.113 -6.679 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.340 0.354 -7.761 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.225 1.179 -6.165 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.451 1.615 -8.310 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.121 2.443 -6.712 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.718 2.655 -7.785 1.00 0.43 C ATOM 223 OH TYR A 29 -0.817 3.909 -8.343 1.00 0.50 O ATOM 0 H TYR A 29 0.162 -3.632 -5.499 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.540 -2.399 -7.914 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.344 -1.619 -5.753 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.286 -1.244 -5.232 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.913 -0.460 -8.180 1.00 1.23 H new ATOM 0 HD2 TYR A 29 0.883 1.016 -5.324 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -2.110 1.785 -9.148 1.00 1.25 H new ATOM 0 HE2 TYR A 29 0.694 3.261 -6.301 1.00 1.22 H new ATOM 0 HH TYR A 29 -0.237 4.531 -7.856 1.00 0.50 H new ATOM 233 N PHE A 30 2.558 -1.846 -6.888 1.00 0.16 N ATOM 234 CA PHE A 30 3.875 -1.422 -7.343 1.00 0.16 C ATOM 235 C PHE A 30 4.324 -2.267 -8.530 1.00 0.18 C ATOM 236 O PHE A 30 4.928 -1.758 -9.476 1.00 0.21 O ATOM 237 CB PHE A 30 4.903 -1.525 -6.214 1.00 0.19 C ATOM 238 CG PHE A 30 4.624 -0.637 -5.034 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.177 0.663 -5.211 1.00 1.18 C ATOM 240 CD2 PHE A 30 4.826 -1.100 -3.744 1.00 1.19 C ATOM 241 CE1 PHE A 30 3.937 1.481 -4.126 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.585 -0.285 -2.655 1.00 1.22 C ATOM 243 CZ PHE A 30 4.141 1.007 -2.847 1.00 0.25 C ATOM 0 H PHE A 30 2.531 -2.187 -5.927 1.00 0.16 H new ATOM 0 HA PHE A 30 3.804 -0.379 -7.653 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.946 -2.559 -5.872 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.887 -1.280 -6.613 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.015 1.040 -6.210 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.176 -2.110 -3.588 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.589 2.492 -4.278 1.00 1.17 H new ATOM 0 HE2 PHE A 30 4.744 -0.659 -1.654 1.00 1.22 H new ATOM 0 HZ PHE A 30 3.953 1.646 -1.997 1.00 0.25 H new ATOM 253 N SER A 31 4.012 -3.557 -8.477 1.00 0.21 N ATOM 254 CA SER A 31 4.322 -4.466 -9.569 1.00 0.27 C ATOM 255 C SER A 31 3.566 -4.048 -10.831 1.00 0.25 C ATOM 256 O SER A 31 4.119 -4.063 -11.927 1.00 0.27 O ATOM 257 CB SER A 31 3.963 -5.905 -9.183 1.00 0.35 C ATOM 258 OG SER A 31 4.403 -6.830 -10.165 1.00 1.15 O ATOM 0 H SER A 31 3.543 -3.996 -7.685 1.00 0.21 H new ATOM 0 HA SER A 31 5.392 -4.420 -9.771 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.416 -6.149 -8.222 1.00 0.35 H new ATOM 0 HB3 SER A 31 2.884 -5.991 -9.058 1.00 0.35 H new ATOM 0 HG SER A 31 4.161 -7.739 -9.890 1.00 1.15 H new ATOM 264 N SER A 32 2.310 -3.645 -10.661 1.00 0.27 N ATOM 265 CA SER A 32 1.491 -3.192 -11.777 1.00 0.30 C ATOM 266 C SER A 32 2.073 -1.921 -12.393 1.00 0.28 C ATOM 267 O SER A 32 1.990 -1.707 -13.607 1.00 0.35 O ATOM 268 CB SER A 32 0.058 -2.937 -11.305 1.00 0.40 C ATOM 269 OG SER A 32 -0.485 -4.086 -10.677 1.00 0.99 O ATOM 0 H SER A 32 1.838 -3.624 -9.757 1.00 0.27 H new ATOM 0 HA SER A 32 1.483 -3.972 -12.538 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.045 -2.098 -10.609 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.563 -2.656 -12.155 1.00 0.40 H new ATOM 0 HG SER A 32 -0.003 -4.261 -9.842 1.00 0.99 H new ATOM 275 N ILE A 33 2.664 -1.085 -11.547 1.00 0.24 N ATOM 276 CA ILE A 33 3.290 0.150 -11.995 1.00 0.26 C ATOM 277 C ILE A 33 4.499 -0.141 -12.879 1.00 0.26 C ATOM 278 O ILE A 33 4.614 0.389 -13.985 1.00 0.31 O ATOM 279 CB ILE A 33 3.743 1.023 -10.803 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.556 1.413 -9.925 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.457 2.270 -11.298 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.942 2.284 -8.746 1.00 0.34 C ATOM 0 H ILE A 33 2.722 -1.243 -10.541 1.00 0.24 H new ATOM 0 HA ILE A 33 2.539 0.694 -12.568 1.00 0.26 H new ATOM 0 HB ILE A 33 4.435 0.434 -10.201 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.822 1.941 -10.533 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.073 0.508 -9.556 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.769 2.873 -10.445 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.333 1.981 -11.878 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.781 2.851 -11.926 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.052 2.524 -8.164 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.654 1.750 -8.117 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.398 3.205 -9.108 1.00 0.34 H new ATOM 289 N VAL A 34 5.393 -0.994 -12.393 1.00 0.24 N ATOM 290 CA VAL A 34 6.630 -1.288 -13.109 1.00 0.31 C ATOM 291 C VAL A 34 6.390 -2.240 -14.280 1.00 0.37 C ATOM 292 O VAL A 34 7.185 -2.288 -15.217 1.00 0.47 O ATOM 293 CB VAL A 34 7.712 -1.878 -12.175 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.057 -0.895 -11.067 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.265 -3.208 -11.586 1.00 0.33 C ATOM 0 H VAL A 34 5.286 -1.493 -11.510 1.00 0.24 H new ATOM 0 HA VAL A 34 6.992 -0.336 -13.498 1.00 0.31 H new ATOM 0 HB VAL A 34 8.606 -2.058 -12.772 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.820 -1.329 -10.420 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.435 0.029 -11.505 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.164 -0.680 -10.480 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.046 -3.598 -10.934 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.351 -3.062 -11.010 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.077 -3.918 -12.392 1.00 0.33 H new ATOM 299 N GLU A 35 5.287 -2.980 -14.229 1.00 0.35 N ATOM 300 CA GLU A 35 4.950 -3.932 -15.280 1.00 0.46 C ATOM 301 C GLU A 35 4.730 -3.218 -16.610 1.00 0.50 C ATOM 302 O GLU A 35 5.432 -3.474 -17.589 1.00 0.61 O ATOM 303 CB GLU A 35 3.695 -4.720 -14.899 1.00 0.50 C ATOM 304 CG GLU A 35 3.356 -5.844 -15.864 1.00 0.70 C ATOM 305 CD GLU A 35 4.445 -6.894 -15.935 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.533 -7.728 -15.009 1.00 2.19 O ATOM 307 OE2 GLU A 35 5.220 -6.889 -16.916 1.00 2.22 O ATOM 0 H GLU A 35 4.609 -2.938 -13.468 1.00 0.35 H new ATOM 0 HA GLU A 35 5.786 -4.623 -15.392 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.830 -5.139 -13.902 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.850 -4.034 -14.845 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.422 -6.314 -15.556 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.191 -5.428 -16.858 1.00 0.70 H new ATOM 314 N LYS A 36 3.771 -2.302 -16.634 1.00 0.47 N ATOM 315 CA LYS A 36 3.439 -1.591 -17.862 1.00 0.54 C ATOM 316 C LYS A 36 4.149 -0.240 -17.937 1.00 0.50 C ATOM 317 O LYS A 36 3.832 0.602 -18.776 1.00 0.60 O ATOM 318 CB LYS A 36 1.923 -1.425 -17.999 1.00 0.67 C ATOM 319 CG LYS A 36 1.248 -0.856 -16.765 1.00 0.71 C ATOM 320 CD LYS A 36 -0.253 -0.726 -16.964 1.00 0.97 C ATOM 321 CE LYS A 36 -0.944 -0.225 -15.707 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.777 -1.164 -14.565 1.00 2.08 N ATOM 0 H LYS A 36 3.213 -2.035 -15.823 1.00 0.47 H new ATOM 0 HA LYS A 36 3.793 -2.192 -18.700 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.715 -0.773 -18.847 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.481 -2.395 -18.227 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.449 -1.500 -15.909 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.672 0.121 -16.535 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.453 -0.040 -17.787 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.668 -1.693 -17.247 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.540 0.750 -15.436 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -2.006 -0.085 -15.909 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.411 -0.884 -13.789 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.012 -2.129 -14.872 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.209 -1.136 -14.234 1.00 2.08 H new ATOM 336 N LYS A 37 5.117 -0.062 -17.035 1.00 0.47 N ATOM 337 CA LYS A 37 5.993 1.110 -17.018 1.00 0.54 C ATOM 338 C LYS A 37 5.198 2.409 -16.855 1.00 0.59 C ATOM 339 O LYS A 37 5.183 3.264 -17.740 1.00 0.75 O ATOM 340 CB LYS A 37 6.844 1.144 -18.296 1.00 0.71 C ATOM 341 CG LYS A 37 8.007 2.123 -18.245 1.00 1.18 C ATOM 342 CD LYS A 37 8.849 2.038 -19.509 1.00 1.41 C ATOM 343 CE LYS A 37 10.057 2.959 -19.447 1.00 1.98 C ATOM 344 NZ LYS A 37 10.889 2.865 -20.678 1.00 2.60 N ATOM 0 H LYS A 37 5.316 -0.732 -16.292 1.00 0.47 H new ATOM 0 HA LYS A 37 6.653 1.029 -16.154 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.234 0.144 -18.486 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.203 1.402 -19.139 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.627 3.138 -18.125 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.628 1.910 -17.375 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.183 1.011 -19.655 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.237 2.300 -20.372 1.00 1.41 H new ATOM 0 HE2 LYS A 37 9.723 3.988 -19.312 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.664 2.704 -18.578 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.703 3.508 -20.597 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 11.229 1.889 -20.794 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.317 3.133 -21.505 1.00 2.60 H new ATOM 358 N GLU A 38 4.549 2.557 -15.710 1.00 0.54 N ATOM 359 CA GLU A 38 3.769 3.756 -15.415 1.00 0.68 C ATOM 360 C GLU A 38 4.621 4.751 -14.648 1.00 0.69 C ATOM 361 O GLU A 38 4.272 5.922 -14.507 1.00 1.03 O ATOM 362 CB GLU A 38 2.532 3.400 -14.591 1.00 0.79 C ATOM 363 CG GLU A 38 1.506 2.579 -15.349 1.00 1.36 C ATOM 364 CD GLU A 38 0.799 3.374 -16.427 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.113 4.156 -16.086 1.00 2.12 O ATOM 366 OE2 GLU A 38 1.142 3.216 -17.615 1.00 1.86 O ATOM 0 H GLU A 38 4.545 1.860 -14.965 1.00 0.54 H new ATOM 0 HA GLU A 38 3.449 4.201 -16.357 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.844 2.846 -13.705 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.062 4.320 -14.243 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.999 1.719 -15.802 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.768 2.190 -14.647 1.00 1.36 H new ATOM 373 N ILE A 39 5.740 4.265 -14.149 1.00 0.42 N ATOM 374 CA ILE A 39 6.637 5.080 -13.349 1.00 0.43 C ATOM 375 C ILE A 39 7.952 5.289 -14.096 1.00 0.48 C ATOM 376 O ILE A 39 8.208 4.625 -15.104 1.00 0.51 O ATOM 377 CB ILE A 39 6.891 4.415 -11.975 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.488 5.410 -10.977 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.798 3.198 -12.125 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.550 4.877 -9.563 1.00 0.47 C ATOM 0 H ILE A 39 6.053 3.303 -14.284 1.00 0.42 H new ATOM 0 HA ILE A 39 6.173 6.051 -13.176 1.00 0.43 H new ATOM 0 HB ILE A 39 5.929 4.085 -11.583 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.493 5.679 -11.301 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.895 6.324 -10.987 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.964 2.745 -11.147 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.326 2.471 -12.786 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.754 3.506 -12.549 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.983 5.633 -8.908 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.544 4.634 -9.221 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.168 3.979 -9.539 1.00 0.47 H new ATOM 387 N SER A 40 8.769 6.216 -13.618 1.00 0.54 N ATOM 388 CA SER A 40 10.061 6.472 -14.223 1.00 0.62 C ATOM 389 C SER A 40 11.009 5.304 -13.972 1.00 0.53 C ATOM 390 O SER A 40 10.759 4.477 -13.092 1.00 0.48 O ATOM 391 CB SER A 40 10.646 7.767 -13.662 1.00 0.76 C ATOM 392 OG SER A 40 10.646 7.746 -12.243 1.00 1.82 O ATOM 0 H SER A 40 8.557 6.803 -12.811 1.00 0.54 H new ATOM 0 HA SER A 40 9.933 6.580 -15.300 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.664 7.900 -14.028 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.065 8.618 -14.018 1.00 0.76 H new ATOM 0 HG SER A 40 11.026 8.583 -11.903 1.00 1.82 H new ATOM 398 N GLU A 41 12.089 5.227 -14.732 1.00 0.59 N ATOM 399 CA GLU A 41 13.043 4.138 -14.581 1.00 0.60 C ATOM 400 C GLU A 41 13.666 4.165 -13.190 1.00 0.49 C ATOM 401 O GLU A 41 13.736 3.140 -12.508 1.00 0.46 O ATOM 402 CB GLU A 41 14.124 4.231 -15.655 1.00 0.78 C ATOM 403 CG GLU A 41 13.564 4.195 -17.066 1.00 1.07 C ATOM 404 CD GLU A 41 14.638 4.294 -18.122 1.00 1.43 C ATOM 405 OE1 GLU A 41 15.161 3.240 -18.536 1.00 2.19 O ATOM 406 OE2 GLU A 41 14.952 5.423 -18.552 1.00 1.99 O ATOM 0 H GLU A 41 12.328 5.903 -15.458 1.00 0.59 H new ATOM 0 HA GLU A 41 12.515 3.192 -14.701 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.687 5.154 -15.517 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.826 3.407 -15.528 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.006 3.270 -17.207 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.858 5.016 -17.193 1.00 1.07 H new ATOM 413 N ASP A 42 14.085 5.354 -12.767 1.00 0.52 N ATOM 414 CA ASP A 42 14.667 5.541 -11.441 1.00 0.52 C ATOM 415 C ASP A 42 13.676 5.127 -10.359 1.00 0.43 C ATOM 416 O ASP A 42 14.031 4.427 -9.409 1.00 0.47 O ATOM 417 CB ASP A 42 15.076 7.003 -11.241 1.00 0.62 C ATOM 418 CG ASP A 42 15.777 7.238 -9.917 1.00 1.50 C ATOM 419 OD1 ASP A 42 15.088 7.434 -8.895 1.00 2.30 O ATOM 420 OD2 ASP A 42 17.026 7.228 -9.892 1.00 2.21 O ATOM 0 H ASP A 42 14.032 6.206 -13.326 1.00 0.52 H new ATOM 0 HA ASP A 42 15.553 4.911 -11.364 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.734 7.307 -12.055 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.189 7.635 -11.295 1.00 0.62 H new ATOM 425 N GLY A 43 12.426 5.548 -10.527 1.00 0.39 N ATOM 426 CA GLY A 43 11.389 5.194 -9.580 1.00 0.37 C ATOM 427 C GLY A 43 11.131 3.701 -9.545 1.00 0.34 C ATOM 428 O GLY A 43 10.882 3.133 -8.482 1.00 0.35 O ATOM 0 H GLY A 43 12.114 6.129 -11.305 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.676 5.535 -8.585 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.468 5.714 -9.842 1.00 0.37 H new ATOM 432 N ALA A 44 11.200 3.067 -10.708 1.00 0.33 N ATOM 433 CA ALA A 44 11.006 1.628 -10.810 1.00 0.33 C ATOM 434 C ALA A 44 12.085 0.881 -10.036 1.00 0.32 C ATOM 435 O ALA A 44 11.792 -0.066 -9.307 1.00 0.31 O ATOM 436 CB ALA A 44 10.999 1.199 -12.268 1.00 0.38 C ATOM 0 H ALA A 44 11.390 3.530 -11.597 1.00 0.33 H new ATOM 0 HA ALA A 44 10.040 1.379 -10.370 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.853 0.121 -12.329 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.188 1.705 -12.792 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.950 1.463 -12.730 1.00 0.38 H new ATOM 442 N ASP A 45 13.330 1.323 -10.188 1.00 0.36 N ATOM 443 CA ASP A 45 14.449 0.726 -9.461 1.00 0.38 C ATOM 444 C ASP A 45 14.281 0.922 -7.964 1.00 0.36 C ATOM 445 O ASP A 45 14.611 0.041 -7.168 1.00 0.37 O ATOM 446 CB ASP A 45 15.785 1.327 -9.906 1.00 0.48 C ATOM 447 CG ASP A 45 16.257 0.788 -11.238 1.00 1.11 C ATOM 448 OD1 ASP A 45 16.736 -0.365 -11.284 1.00 1.81 O ATOM 449 OD2 ASP A 45 16.164 1.514 -12.248 1.00 1.84 O ATOM 0 H ASP A 45 13.591 2.091 -10.807 1.00 0.36 H new ATOM 0 HA ASP A 45 14.453 -0.340 -9.687 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.686 2.410 -9.972 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.541 1.122 -9.148 1.00 0.48 H new ATOM 454 N SER A 46 13.761 2.079 -7.586 1.00 0.38 N ATOM 455 CA SER A 46 13.523 2.389 -6.187 1.00 0.41 C ATOM 456 C SER A 46 12.454 1.453 -5.617 1.00 0.36 C ATOM 457 O SER A 46 12.576 0.961 -4.496 1.00 0.39 O ATOM 458 CB SER A 46 13.099 3.853 -6.047 1.00 0.51 C ATOM 459 OG SER A 46 13.272 4.316 -4.720 1.00 0.98 O ATOM 0 H SER A 46 13.495 2.822 -8.233 1.00 0.38 H new ATOM 0 HA SER A 46 14.443 2.240 -5.621 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.685 4.470 -6.729 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.054 3.960 -6.338 1.00 0.51 H new ATOM 0 HG SER A 46 14.019 4.949 -4.689 1.00 0.98 H new ATOM 465 N LEU A 47 11.422 1.181 -6.412 1.00 0.32 N ATOM 466 CA LEU A 47 10.366 0.260 -6.010 1.00 0.30 C ATOM 467 C LEU A 47 10.901 -1.160 -5.860 1.00 0.27 C ATOM 468 O LEU A 47 10.365 -1.951 -5.086 1.00 0.29 O ATOM 469 CB LEU A 47 9.215 0.273 -7.019 1.00 0.30 C ATOM 470 CG LEU A 47 8.320 1.513 -6.976 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.264 1.446 -8.068 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.662 1.642 -5.610 1.00 0.41 C ATOM 0 H LEU A 47 11.296 1.587 -7.339 1.00 0.32 H new ATOM 0 HA LEU A 47 9.992 0.596 -5.043 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.632 0.181 -8.022 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.596 -0.608 -6.850 1.00 0.30 H new ATOM 0 HG LEU A 47 8.939 2.393 -7.149 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.636 2.336 -8.022 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.751 1.395 -9.042 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.647 0.559 -7.923 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.028 2.529 -5.594 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.055 0.758 -5.414 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.431 1.732 -4.843 1.00 0.41 H new ATOM 484 N ASN A 48 11.959 -1.474 -6.593 1.00 0.26 N ATOM 485 CA ASN A 48 12.551 -2.807 -6.543 1.00 0.26 C ATOM 486 C ASN A 48 13.127 -3.093 -5.160 1.00 0.28 C ATOM 487 O ASN A 48 12.786 -4.102 -4.537 1.00 0.32 O ATOM 488 CB ASN A 48 13.643 -2.965 -7.609 1.00 0.28 C ATOM 489 CG ASN A 48 13.106 -2.918 -9.031 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.790 -2.455 -9.946 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.893 -3.411 -9.236 1.00 0.40 N ATOM 0 H ASN A 48 12.426 -0.827 -7.229 1.00 0.26 H new ATOM 0 HA ASN A 48 11.760 -3.528 -6.749 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.383 -2.175 -7.481 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.158 -3.913 -7.454 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.496 -3.416 -10.176 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.356 -3.786 -8.454 1.00 0.40 H new ATOM 498 N VAL A 49 13.990 -2.205 -4.668 1.00 0.27 N ATOM 499 CA VAL A 49 14.576 -2.384 -3.342 1.00 0.29 C ATOM 500 C VAL A 49 13.504 -2.236 -2.267 1.00 0.30 C ATOM 501 O VAL A 49 13.533 -2.925 -1.245 1.00 0.32 O ATOM 502 CB VAL A 49 15.750 -1.405 -3.071 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.305 0.045 -3.171 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.374 -1.674 -1.705 1.00 0.36 C ATOM 0 H VAL A 49 14.295 -1.366 -5.160 1.00 0.27 H new ATOM 0 HA VAL A 49 14.988 -3.392 -3.308 1.00 0.29 H new ATOM 0 HB VAL A 49 16.502 -1.578 -3.841 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.154 0.700 -2.975 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.920 0.239 -4.172 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.522 0.237 -2.438 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.194 -0.977 -1.536 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.620 -1.543 -0.929 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.754 -2.695 -1.673 1.00 0.36 H new ATOM 508 N ALA A 50 12.539 -1.359 -2.518 1.00 0.30 N ATOM 509 CA ALA A 50 11.420 -1.176 -1.607 1.00 0.34 C ATOM 510 C ALA A 50 10.642 -2.473 -1.450 1.00 0.34 C ATOM 511 O ALA A 50 10.306 -2.876 -0.341 1.00 0.37 O ATOM 512 CB ALA A 50 10.498 -0.075 -2.105 1.00 0.37 C ATOM 0 H ALA A 50 12.511 -0.764 -3.346 1.00 0.30 H new ATOM 0 HA ALA A 50 11.819 -0.885 -0.635 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.667 0.046 -1.410 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.053 0.861 -2.174 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.112 -0.341 -3.089 1.00 0.37 H new ATOM 518 N MET A 51 10.389 -3.134 -2.573 1.00 0.34 N ATOM 519 CA MET A 51 9.584 -4.349 -2.595 1.00 0.39 C ATOM 520 C MET A 51 10.273 -5.482 -1.855 1.00 0.31 C ATOM 521 O MET A 51 9.617 -6.295 -1.199 1.00 0.30 O ATOM 522 CB MET A 51 9.304 -4.756 -4.035 1.00 0.52 C ATOM 523 CG MET A 51 8.198 -5.785 -4.173 1.00 0.62 C ATOM 524 SD MET A 51 7.484 -5.778 -5.822 1.00 0.65 S ATOM 525 CE MET A 51 7.175 -4.022 -6.008 1.00 0.41 C ATOM 0 H MET A 51 10.734 -2.845 -3.489 1.00 0.34 H new ATOM 0 HA MET A 51 8.642 -4.143 -2.087 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.036 -3.869 -4.609 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.218 -5.156 -4.474 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.594 -6.776 -3.952 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.419 -5.582 -3.438 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.368 -3.868 -6.725 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.890 -3.599 -5.045 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.079 -3.530 -6.368 1.00 0.41 H new ATOM 535 N ASP A 52 11.595 -5.536 -1.963 1.00 0.31 N ATOM 536 CA ASP A 52 12.372 -6.517 -1.221 1.00 0.32 C ATOM 537 C ASP A 52 12.174 -6.292 0.266 1.00 0.28 C ATOM 538 O ASP A 52 11.974 -7.232 1.031 1.00 0.30 O ATOM 539 CB ASP A 52 13.860 -6.417 -1.562 1.00 0.42 C ATOM 540 CG ASP A 52 14.672 -7.512 -0.897 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.657 -8.652 -1.406 1.00 1.84 O ATOM 542 OD2 ASP A 52 15.325 -7.243 0.134 1.00 1.99 O ATOM 0 H ASP A 52 12.148 -4.915 -2.554 1.00 0.31 H new ATOM 0 HA ASP A 52 12.027 -7.513 -1.498 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.989 -6.476 -2.643 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.239 -5.444 -1.249 1.00 0.42 H new ATOM 547 N CYS A 53 12.190 -5.028 0.652 1.00 0.27 N ATOM 548 CA CYS A 53 12.019 -4.643 2.041 1.00 0.27 C ATOM 549 C CYS A 53 10.589 -4.904 2.517 1.00 0.29 C ATOM 550 O CYS A 53 10.382 -5.333 3.647 1.00 0.36 O ATOM 551 CB CYS A 53 12.384 -3.173 2.210 1.00 0.36 C ATOM 552 SG CYS A 53 14.065 -2.779 1.679 1.00 1.05 S ATOM 0 H CYS A 53 12.321 -4.243 0.014 1.00 0.27 H new ATOM 0 HA CYS A 53 12.683 -5.251 2.656 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.680 -2.565 1.641 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.269 -2.897 3.258 1.00 0.36 H new ATOM 0 HG CYS A 53 14.077 -2.569 0.396 1.00 1.05 H new ATOM 558 N ILE A 54 9.603 -4.655 1.654 1.00 0.26 N ATOM 559 CA ILE A 54 8.210 -4.949 1.992 1.00 0.29 C ATOM 560 C ILE A 54 8.057 -6.436 2.302 1.00 0.30 C ATOM 561 O ILE A 54 7.511 -6.820 3.337 1.00 0.33 O ATOM 562 CB ILE A 54 7.226 -4.584 0.850 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.423 -3.135 0.392 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.790 -4.795 1.317 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.612 -2.764 -0.840 1.00 0.34 C ATOM 0 H ILE A 54 9.740 -4.255 0.726 1.00 0.26 H new ATOM 0 HA ILE A 54 7.963 -4.338 2.860 1.00 0.29 H new ATOM 0 HB ILE A 54 7.430 -5.237 0.001 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.152 -2.466 1.209 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.480 -2.971 0.183 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.104 -4.537 0.511 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.647 -5.839 1.595 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.591 -4.160 2.180 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.805 -1.724 -1.103 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.899 -3.407 -1.672 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.550 -2.895 -0.630 1.00 0.34 H new ATOM 572 N SER A 55 8.571 -7.262 1.401 1.00 0.30 N ATOM 573 CA SER A 55 8.504 -8.708 1.547 1.00 0.36 C ATOM 574 C SER A 55 9.281 -9.162 2.782 1.00 0.38 C ATOM 575 O SER A 55 8.823 -10.016 3.540 1.00 0.41 O ATOM 576 CB SER A 55 9.067 -9.375 0.290 1.00 0.40 C ATOM 577 OG SER A 55 8.472 -8.833 -0.880 1.00 0.80 O ATOM 0 H SER A 55 9.044 -6.950 0.553 1.00 0.30 H new ATOM 0 HA SER A 55 7.462 -9.003 1.675 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.147 -9.235 0.252 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.886 -10.449 0.331 1.00 0.40 H new ATOM 0 HG SER A 55 8.901 -7.980 -1.100 1.00 0.80 H new ATOM 583 N GLU A 56 10.446 -8.557 2.981 1.00 0.39 N ATOM 584 CA GLU A 56 11.317 -8.875 4.106 1.00 0.48 C ATOM 585 C GLU A 56 10.671 -8.499 5.438 1.00 0.43 C ATOM 586 O GLU A 56 10.735 -9.256 6.407 1.00 0.46 O ATOM 587 CB GLU A 56 12.638 -8.125 3.935 1.00 0.60 C ATOM 588 CG GLU A 56 13.626 -8.324 5.067 1.00 0.83 C ATOM 589 CD GLU A 56 14.899 -7.545 4.840 1.00 1.81 C ATOM 590 OE1 GLU A 56 15.803 -8.067 4.154 1.00 2.38 O ATOM 591 OE2 GLU A 56 14.999 -6.401 5.325 1.00 2.66 O ATOM 0 H GLU A 56 10.814 -7.831 2.366 1.00 0.39 H new ATOM 0 HA GLU A 56 11.493 -9.951 4.119 1.00 0.48 H new ATOM 0 HB2 GLU A 56 13.104 -8.444 3.003 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.426 -7.060 3.837 1.00 0.60 H new ATOM 0 HG2 GLU A 56 13.171 -8.011 6.007 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.860 -9.384 5.163 1.00 0.83 H new ATOM 598 N ALA A 57 10.056 -7.326 5.475 1.00 0.39 N ATOM 599 CA ALA A 57 9.442 -6.810 6.692 1.00 0.39 C ATOM 600 C ALA A 57 8.260 -7.664 7.131 1.00 0.33 C ATOM 601 O ALA A 57 8.120 -7.980 8.311 1.00 0.39 O ATOM 602 CB ALA A 57 9.001 -5.368 6.487 1.00 0.42 C ATOM 0 H ALA A 57 9.968 -6.708 4.669 1.00 0.39 H new ATOM 0 HA ALA A 57 10.191 -6.848 7.483 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.544 -4.994 7.403 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.867 -4.755 6.237 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.276 -5.321 5.674 1.00 0.42 H new ATOM 608 N PHE A 58 7.414 -8.035 6.181 1.00 0.29 N ATOM 609 CA PHE A 58 6.223 -8.815 6.493 1.00 0.28 C ATOM 610 C PHE A 58 6.537 -10.307 6.570 1.00 0.30 C ATOM 611 O PHE A 58 5.791 -11.084 7.167 1.00 0.38 O ATOM 612 CB PHE A 58 5.124 -8.552 5.462 1.00 0.26 C ATOM 613 CG PHE A 58 4.476 -7.202 5.595 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.127 -6.054 5.174 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.213 -7.086 6.143 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.528 -4.817 5.299 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.607 -5.850 6.271 1.00 1.22 C ATOM 618 CZ PHE A 58 3.265 -4.714 5.848 1.00 0.28 C ATOM 0 H PHE A 58 7.528 -7.811 5.193 1.00 0.29 H new ATOM 0 HA PHE A 58 5.867 -8.499 7.473 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.548 -8.644 4.462 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.359 -9.323 5.556 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.115 -6.128 4.743 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.693 -7.972 6.476 1.00 1.18 H new ATOM 0 HE1 PHE A 58 5.047 -3.930 4.968 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.620 -5.774 6.702 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.794 -3.747 5.946 1.00 0.28 H new ATOM 628 N GLY A 59 7.650 -10.695 5.958 1.00 0.34 N ATOM 629 CA GLY A 59 8.103 -12.070 6.030 1.00 0.39 C ATOM 630 C GLY A 59 7.406 -12.979 5.038 1.00 0.38 C ATOM 631 O GLY A 59 7.006 -14.090 5.383 1.00 0.43 O ATOM 0 H GLY A 59 8.249 -10.077 5.410 1.00 0.34 H new ATOM 0 HA2 GLY A 59 9.178 -12.102 5.850 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.937 -12.448 7.039 1.00 0.39 H new ATOM 635 N PHE A 60 7.266 -12.522 3.803 1.00 0.35 N ATOM 636 CA PHE A 60 6.619 -13.325 2.772 1.00 0.39 C ATOM 637 C PHE A 60 7.365 -13.187 1.449 1.00 0.40 C ATOM 638 O PHE A 60 8.029 -12.182 1.203 1.00 0.42 O ATOM 639 CB PHE A 60 5.145 -12.923 2.604 1.00 0.40 C ATOM 640 CG PHE A 60 4.925 -11.632 1.862 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.269 -10.418 2.429 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.360 -11.639 0.595 1.00 1.19 C ATOM 643 CE1 PHE A 60 5.057 -9.234 1.748 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.148 -10.458 -0.091 1.00 1.22 C ATOM 645 CZ PHE A 60 4.497 -9.255 0.487 1.00 0.33 C ATOM 0 H PHE A 60 7.588 -11.606 3.490 1.00 0.35 H new ATOM 0 HA PHE A 60 6.649 -14.369 3.084 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.622 -13.722 2.078 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.690 -12.841 3.591 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.708 -10.395 3.415 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.083 -12.578 0.139 1.00 1.19 H new ATOM 0 HE1 PHE A 60 5.329 -8.293 2.203 1.00 1.20 H new ATOM 0 HE2 PHE A 60 3.710 -10.477 -1.078 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.332 -8.331 -0.047 1.00 0.33 H new ATOM 655 N GLU A 61 7.264 -14.211 0.615 1.00 0.48 N ATOM 656 CA GLU A 61 7.923 -14.213 -0.683 1.00 0.55 C ATOM 657 C GLU A 61 7.090 -13.458 -1.709 1.00 0.50 C ATOM 658 O GLU A 61 5.860 -13.477 -1.665 1.00 0.48 O ATOM 659 CB GLU A 61 8.138 -15.645 -1.170 1.00 0.70 C ATOM 660 CG GLU A 61 9.092 -16.454 -0.310 1.00 0.81 C ATOM 661 CD GLU A 61 9.281 -17.858 -0.835 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.128 -18.054 -1.730 1.00 2.05 O ATOM 663 OE2 GLU A 61 8.576 -18.773 -0.360 1.00 2.33 O ATOM 0 H GLU A 61 6.729 -15.056 0.815 1.00 0.48 H new ATOM 0 HA GLU A 61 8.888 -13.719 -0.569 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.175 -16.155 -1.204 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.520 -15.617 -2.190 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.058 -15.950 -0.269 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.711 -16.497 0.710 1.00 0.81 H new ATOM 670 N ARG A 62 7.779 -12.825 -2.652 1.00 0.54 N ATOM 671 CA ARG A 62 7.133 -12.048 -3.706 1.00 0.53 C ATOM 672 C ARG A 62 6.315 -12.953 -4.614 1.00 0.53 C ATOM 673 O ARG A 62 5.476 -12.486 -5.376 1.00 0.64 O ATOM 674 CB ARG A 62 8.173 -11.311 -4.551 1.00 0.63 C ATOM 675 CG ARG A 62 9.236 -10.574 -3.752 1.00 1.40 C ATOM 676 CD ARG A 62 10.205 -9.869 -4.683 1.00 1.46 C ATOM 677 NE ARG A 62 11.435 -9.453 -4.012 1.00 2.25 N ATOM 678 CZ ARG A 62 12.417 -8.792 -4.625 1.00 2.60 C ATOM 679 NH1 ARG A 62 12.283 -8.428 -5.893 1.00 2.13 N ATOM 680 NH2 ARG A 62 13.533 -8.497 -3.972 1.00 3.67 N ATOM 0 H ARG A 62 8.797 -12.835 -2.708 1.00 0.54 H new ATOM 0 HA ARG A 62 6.476 -11.323 -3.225 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.664 -12.030 -5.206 1.00 0.63 H new ATOM 0 HB3 ARG A 62 7.659 -10.595 -5.192 1.00 0.63 H new ATOM 0 HG2 ARG A 62 8.764 -9.848 -3.090 1.00 1.40 H new ATOM 0 HG3 ARG A 62 9.777 -11.277 -3.119 1.00 1.40 H new ATOM 0 HD2 ARG A 62 10.455 -10.533 -5.510 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.717 -8.994 -5.113 1.00 1.46 H new ATOM 0 HE ARG A 62 11.548 -9.680 -3.024 1.00 2.25 H new ATOM 0 HH11 ARG A 62 11.428 -8.654 -6.401 1.00 2.13 H new ATOM 0 HH12 ARG A 62 13.035 -7.922 -6.361 1.00 2.13 H new ATOM 0 HH21 ARG A 62 13.642 -8.776 -2.997 1.00 3.67 H new ATOM 0 HH22 ARG A 62 14.282 -7.991 -4.445 1.00 3.67 H new ATOM 694 N GLU A 63 6.588 -14.246 -4.554 1.00 0.58 N ATOM 695 CA GLU A 63 5.887 -15.213 -5.384 1.00 0.64 C ATOM 696 C GLU A 63 4.597 -15.675 -4.712 1.00 0.63 C ATOM 697 O GLU A 63 3.742 -16.291 -5.345 1.00 0.75 O ATOM 698 CB GLU A 63 6.790 -16.411 -5.664 1.00 0.74 C ATOM 699 CG GLU A 63 8.113 -16.029 -6.305 1.00 1.70 C ATOM 700 CD GLU A 63 8.959 -17.232 -6.653 1.00 2.53 C ATOM 701 OE1 GLU A 63 9.725 -17.697 -5.783 1.00 3.12 O ATOM 702 OE2 GLU A 63 8.860 -17.723 -7.795 1.00 3.20 O ATOM 0 H GLU A 63 7.292 -14.652 -3.937 1.00 0.58 H new ATOM 0 HA GLU A 63 5.627 -14.731 -6.327 1.00 0.64 H new ATOM 0 HB2 GLU A 63 6.985 -16.936 -4.729 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.265 -17.108 -6.318 1.00 0.74 H new ATOM 0 HG2 GLU A 63 7.921 -15.451 -7.209 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.669 -15.383 -5.625 1.00 1.70 H new ATOM 709 N ALA A 64 4.452 -15.353 -3.432 1.00 0.55 N ATOM 710 CA ALA A 64 3.295 -15.791 -2.662 1.00 0.60 C ATOM 711 C ALA A 64 2.106 -14.860 -2.873 1.00 0.54 C ATOM 712 O ALA A 64 0.968 -15.227 -2.585 1.00 0.57 O ATOM 713 CB ALA A 64 3.645 -15.875 -1.184 1.00 0.67 C ATOM 0 H ALA A 64 5.121 -14.791 -2.906 1.00 0.55 H new ATOM 0 HA ALA A 64 3.012 -16.783 -3.015 1.00 0.60 H new ATOM 0 HB1 ALA A 64 2.771 -16.203 -0.621 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.457 -16.588 -1.042 1.00 0.67 H new ATOM 0 HB3 ALA A 64 3.958 -14.894 -0.828 1.00 0.67 H new ATOM 719 N VAL A 65 2.376 -13.668 -3.397 1.00 0.51 N ATOM 720 CA VAL A 65 1.340 -12.655 -3.587 1.00 0.47 C ATOM 721 C VAL A 65 0.181 -13.182 -4.441 1.00 0.53 C ATOM 722 O VAL A 65 -0.984 -12.915 -4.148 1.00 0.54 O ATOM 723 CB VAL A 65 1.922 -11.361 -4.214 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.606 -11.642 -5.538 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.846 -10.308 -4.397 1.00 0.50 C ATOM 0 H VAL A 65 3.306 -13.378 -3.699 1.00 0.51 H new ATOM 0 HA VAL A 65 0.950 -12.414 -2.598 1.00 0.47 H new ATOM 0 HB VAL A 65 2.669 -10.978 -3.519 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.001 -10.713 -5.948 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.423 -12.347 -5.383 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.886 -12.069 -6.236 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.284 -9.413 -4.838 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.068 -10.694 -5.056 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.411 -10.060 -3.429 1.00 0.50 H new ATOM 729 N SER A 66 0.503 -13.959 -5.471 1.00 0.63 N ATOM 730 CA SER A 66 -0.508 -14.519 -6.358 1.00 0.75 C ATOM 731 C SER A 66 -1.464 -15.433 -5.592 1.00 0.76 C ATOM 732 O SER A 66 -2.682 -15.355 -5.759 1.00 0.84 O ATOM 733 CB SER A 66 0.170 -15.289 -7.489 1.00 0.89 C ATOM 734 OG SER A 66 1.097 -14.461 -8.172 1.00 1.63 O ATOM 0 H SER A 66 1.461 -14.215 -5.711 1.00 0.63 H new ATOM 0 HA SER A 66 -1.092 -13.701 -6.779 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.683 -16.162 -7.085 1.00 0.89 H new ATOM 0 HB3 SER A 66 -0.582 -15.656 -8.188 1.00 0.89 H new ATOM 0 HG SER A 66 1.523 -14.971 -8.892 1.00 1.63 H new ATOM 740 N GLY A 67 -0.903 -16.282 -4.737 1.00 0.73 N ATOM 741 CA GLY A 67 -1.715 -17.182 -3.944 1.00 0.75 C ATOM 742 C GLY A 67 -2.551 -16.442 -2.920 1.00 0.70 C ATOM 743 O GLY A 67 -3.716 -16.781 -2.694 1.00 0.76 O ATOM 0 H GLY A 67 0.102 -16.362 -4.580 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -2.370 -17.753 -4.602 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -1.070 -17.899 -3.435 1.00 0.75 H new ATOM 747 N ILE A 68 -1.957 -15.422 -2.311 1.00 0.63 N ATOM 748 CA ILE A 68 -2.647 -14.611 -1.316 1.00 0.59 C ATOM 749 C ILE A 68 -3.855 -13.909 -1.933 1.00 0.63 C ATOM 750 O ILE A 68 -4.950 -13.932 -1.374 1.00 0.71 O ATOM 751 CB ILE A 68 -1.703 -13.556 -0.696 1.00 0.51 C ATOM 752 CG1 ILE A 68 -0.504 -14.236 -0.027 1.00 0.50 C ATOM 753 CG2 ILE A 68 -2.450 -12.695 0.311 1.00 0.50 C ATOM 754 CD1 ILE A 68 0.520 -13.262 0.519 1.00 0.45 C ATOM 0 H ILE A 68 -0.994 -15.136 -2.490 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.984 -15.284 -0.528 1.00 0.59 H new ATOM 0 HB ILE A 68 -1.337 -12.913 -1.496 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.862 -14.867 0.786 1.00 0.50 H new ATOM 0 HG13 ILE A 68 -0.019 -14.892 -0.750 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.768 -11.958 0.736 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -3.273 -12.183 -0.188 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.845 -13.326 1.107 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.340 -13.815 0.978 1.00 0.45 H new ATOM 0 HD12 ILE A 68 0.907 -12.647 -0.294 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.051 -12.622 1.266 1.00 0.45 H new ATOM 761 N LEU A 69 -3.661 -13.323 -3.109 1.00 0.62 N ATOM 762 CA LEU A 69 -4.724 -12.580 -3.785 1.00 0.67 C ATOM 763 C LEU A 69 -5.805 -13.512 -4.327 1.00 0.85 C ATOM 764 O LEU A 69 -6.832 -13.061 -4.832 1.00 1.14 O ATOM 765 CB LEU A 69 -4.137 -11.735 -4.917 1.00 0.62 C ATOM 766 CG LEU A 69 -3.130 -10.674 -4.469 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.559 -9.939 -5.669 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.779 -9.695 -3.504 1.00 0.45 C ATOM 0 H LEU A 69 -2.777 -13.347 -3.617 1.00 0.62 H new ATOM 0 HA LEU A 69 -5.191 -11.923 -3.051 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.651 -12.398 -5.632 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.953 -11.241 -5.444 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.312 -11.175 -3.952 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.845 -9.189 -5.330 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.055 -10.649 -6.325 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.367 -9.451 -6.215 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.047 -8.948 -3.197 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.617 -9.201 -3.996 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.139 -10.233 -2.627 1.00 0.45 H new ATOM 780 N GLY A 70 -5.563 -14.810 -4.238 1.00 0.81 N ATOM 781 CA GLY A 70 -6.569 -15.773 -4.628 1.00 0.94 C ATOM 782 C GLY A 70 -7.330 -16.302 -3.432 1.00 0.99 C ATOM 783 O GLY A 70 -8.557 -16.420 -3.465 1.00 1.25 O ATOM 0 H GLY A 70 -4.688 -15.213 -3.903 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -7.265 -15.309 -5.327 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -6.095 -16.602 -5.154 1.00 0.94 H new ATOM 787 N LYS A 71 -6.600 -16.595 -2.365 1.00 0.87 N ATOM 788 CA LYS A 71 -7.187 -17.162 -1.156 1.00 0.98 C ATOM 789 C LYS A 71 -7.859 -16.091 -0.300 1.00 0.99 C ATOM 790 O LYS A 71 -9.017 -16.230 0.091 1.00 1.26 O ATOM 791 CB LYS A 71 -6.105 -17.859 -0.327 1.00 1.11 C ATOM 792 CG LYS A 71 -6.629 -18.475 0.961 1.00 1.69 C ATOM 793 CD LYS A 71 -5.501 -18.874 1.902 1.00 2.11 C ATOM 794 CE LYS A 71 -4.756 -17.656 2.436 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.709 -18.030 3.425 1.00 3.16 N ATOM 0 H LYS A 71 -5.592 -16.448 -2.311 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.945 -17.881 -1.466 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -5.642 -18.639 -0.931 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.324 -17.138 -0.084 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -7.285 -17.764 1.463 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -7.231 -19.352 0.725 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -5.908 -19.446 2.736 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -4.803 -19.527 1.378 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -4.295 -17.121 1.606 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -5.466 -16.972 2.901 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -3.227 -17.172 3.762 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -4.151 -18.518 4.230 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -3.016 -18.662 2.975 1.00 3.16 H new ATOM 809 N SER A 72 -7.123 -15.027 -0.022 1.00 0.92 N ATOM 810 CA SER A 72 -7.550 -14.021 0.939 1.00 1.08 C ATOM 811 C SER A 72 -8.713 -13.177 0.423 1.00 1.04 C ATOM 812 O SER A 72 -9.015 -13.151 -0.771 1.00 1.21 O ATOM 813 CB SER A 72 -6.364 -13.127 1.286 1.00 1.30 C ATOM 814 OG SER A 72 -5.315 -13.891 1.855 1.00 2.02 O ATOM 0 H SER A 72 -6.218 -14.836 -0.453 1.00 0.92 H new ATOM 0 HA SER A 72 -7.907 -14.538 1.829 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.008 -12.621 0.389 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.678 -12.352 1.985 1.00 1.30 H new ATOM 0 HG SER A 72 -5.405 -13.895 2.831 1.00 2.02 H new ATOM 820 N GLU A 73 -9.343 -12.473 1.362 1.00 1.13 N ATOM 821 CA GLU A 73 -10.520 -11.650 1.095 1.00 1.31 C ATOM 822 C GLU A 73 -10.167 -10.418 0.269 1.00 1.26 C ATOM 823 O GLU A 73 -11.046 -9.669 -0.158 1.00 1.87 O ATOM 824 CB GLU A 73 -11.132 -11.210 2.422 1.00 1.67 C ATOM 825 CG GLU A 73 -11.506 -12.364 3.334 1.00 1.87 C ATOM 826 CD GLU A 73 -12.807 -13.019 2.940 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.794 -13.930 2.093 1.00 2.46 O ATOM 828 OE2 GLU A 73 -13.852 -12.626 3.499 1.00 2.64 O ATOM 0 H GLU A 73 -9.048 -12.458 2.338 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.232 -12.246 0.524 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -10.425 -10.563 2.941 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.022 -10.614 2.221 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.710 -13.108 3.317 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.582 -12.002 4.359 1.00 1.87 H new ATOM 835 N PHE A 74 -8.875 -10.218 0.053 1.00 1.04 N ATOM 836 CA PHE A 74 -8.377 -9.077 -0.701 1.00 1.02 C ATOM 837 C PHE A 74 -8.349 -9.396 -2.193 1.00 1.08 C ATOM 838 O PHE A 74 -7.619 -8.773 -2.967 1.00 1.45 O ATOM 839 CB PHE A 74 -6.976 -8.699 -0.213 1.00 0.94 C ATOM 840 CG PHE A 74 -6.937 -8.258 1.224 1.00 0.96 C ATOM 841 CD1 PHE A 74 -7.023 -9.182 2.252 1.00 1.61 C ATOM 842 CD2 PHE A 74 -6.814 -6.918 1.546 1.00 1.18 C ATOM 843 CE1 PHE A 74 -6.987 -8.777 3.570 1.00 1.70 C ATOM 844 CE2 PHE A 74 -6.775 -6.507 2.863 1.00 1.25 C ATOM 845 CZ PHE A 74 -6.862 -7.437 3.875 1.00 1.19 C ATOM 0 H PHE A 74 -8.143 -10.841 0.395 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.047 -8.232 -0.541 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.313 -9.555 -0.340 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -6.586 -7.898 -0.841 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -7.119 -10.232 2.019 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.748 -6.184 0.756 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -7.057 -9.508 4.362 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.676 -5.458 3.100 1.00 1.25 H new ATOM 0 HZ PHE A 74 -6.832 -7.118 4.906 1.00 1.19 H new ATOM 855 N LYS A 75 -9.165 -10.366 -2.586 1.00 1.12 N ATOM 856 CA LYS A 75 -9.254 -10.802 -3.973 1.00 1.23 C ATOM 857 C LYS A 75 -10.093 -9.824 -4.802 1.00 1.54 C ATOM 858 O LYS A 75 -11.097 -10.193 -5.413 1.00 2.04 O ATOM 859 CB LYS A 75 -9.834 -12.223 -4.033 1.00 1.43 C ATOM 860 CG LYS A 75 -11.184 -12.376 -3.343 1.00 1.47 C ATOM 861 CD LYS A 75 -11.574 -13.838 -3.136 1.00 1.66 C ATOM 862 CE LYS A 75 -11.741 -14.600 -4.447 1.00 2.28 C ATOM 863 NZ LYS A 75 -10.443 -15.060 -5.012 1.00 2.85 N ATOM 0 H LYS A 75 -9.783 -10.872 -1.952 1.00 1.12 H new ATOM 0 HA LYS A 75 -8.253 -10.816 -4.404 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -9.937 -12.518 -5.077 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -9.125 -12.913 -3.576 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -11.154 -11.871 -2.377 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -11.951 -11.880 -3.938 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -10.812 -14.330 -2.531 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -12.507 -13.884 -2.574 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -12.387 -15.462 -4.282 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -12.243 -13.960 -5.173 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -10.555 -16.017 -5.404 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -10.143 -14.410 -5.766 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -9.723 -15.075 -4.261 1.00 2.85 H new ATOM 877 N GLY A 76 -9.679 -8.567 -4.794 1.00 1.89 N ATOM 878 CA GLY A 76 -10.355 -7.548 -5.570 1.00 2.41 C ATOM 879 C GLY A 76 -9.458 -6.978 -6.642 1.00 1.95 C ATOM 880 O GLY A 76 -9.924 -6.617 -7.724 1.00 2.42 O ATOM 0 H GLY A 76 -8.879 -8.231 -4.258 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -11.248 -7.973 -6.030 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -10.687 -6.747 -4.909 1.00 2.41 H new ATOM 884 N GLN A 77 -8.164 -6.904 -6.325 1.00 1.50 N ATOM 885 CA GLN A 77 -7.140 -6.418 -7.251 1.00 1.32 C ATOM 886 C GLN A 77 -7.278 -4.923 -7.523 1.00 1.10 C ATOM 887 O GLN A 77 -8.301 -4.313 -7.212 1.00 1.51 O ATOM 888 CB GLN A 77 -7.179 -7.194 -8.566 1.00 1.56 C ATOM 889 CG GLN A 77 -6.837 -8.671 -8.424 1.00 2.02 C ATOM 890 CD GLN A 77 -5.411 -8.911 -7.958 1.00 2.54 C ATOM 891 OE1 GLN A 77 -4.834 -8.106 -7.230 1.00 2.88 O ATOM 892 NE2 GLN A 77 -4.835 -10.023 -8.379 1.00 3.28 N ATOM 0 H GLN A 77 -7.796 -7.181 -5.415 1.00 1.50 H new ATOM 0 HA GLN A 77 -6.176 -6.583 -6.770 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -8.174 -7.102 -9.001 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -6.481 -6.736 -9.267 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -7.526 -9.131 -7.716 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -6.988 -9.166 -9.383 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -5.348 -10.666 -8.982 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -3.878 -10.239 -8.100 1.00 3.28 H new ATOM 901 N HIS A 78 -6.238 -4.353 -8.129 1.00 0.88 N ATOM 902 CA HIS A 78 -6.159 -2.922 -8.383 1.00 0.85 C ATOM 903 C HIS A 78 -6.284 -2.131 -7.088 1.00 0.69 C ATOM 904 O HIS A 78 -7.358 -1.634 -6.752 1.00 0.68 O ATOM 905 CB HIS A 78 -7.224 -2.487 -9.386 1.00 1.02 C ATOM 906 CG HIS A 78 -6.886 -2.818 -10.803 1.00 1.16 C ATOM 907 ND1 HIS A 78 -7.834 -2.947 -11.792 1.00 1.50 N ATOM 908 CD2 HIS A 78 -5.690 -3.032 -11.403 1.00 1.41 C ATOM 909 CE1 HIS A 78 -7.239 -3.230 -12.934 1.00 1.96 C ATOM 910 NE2 HIS A 78 -5.937 -3.285 -12.726 1.00 1.85 N ATOM 0 H HIS A 78 -5.426 -4.875 -8.457 1.00 0.88 H new ATOM 0 HA HIS A 78 -5.180 -2.712 -8.815 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -8.170 -2.962 -9.127 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -7.374 -1.411 -9.299 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -4.721 -3.008 -10.926 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -7.734 -3.390 -13.881 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -5.231 -3.483 -13.434 1.00 1.85 H new ATOM 919 N LEU A 79 -5.165 -2.017 -6.378 1.00 0.60 N ATOM 920 CA LEU A 79 -5.122 -1.329 -5.089 1.00 0.46 C ATOM 921 C LEU A 79 -5.728 0.069 -5.187 1.00 0.44 C ATOM 922 O LEU A 79 -6.503 0.481 -4.329 1.00 0.42 O ATOM 923 CB LEU A 79 -3.675 -1.231 -4.595 1.00 0.44 C ATOM 924 CG LEU A 79 -3.493 -0.589 -3.217 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.074 -1.477 -2.128 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.023 -0.312 -2.950 1.00 0.41 C ATOM 0 H LEU A 79 -4.267 -2.396 -6.677 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.712 -1.908 -4.379 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.249 -2.234 -4.569 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.099 -0.659 -5.322 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.031 0.359 -3.208 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -3.934 -1.001 -1.157 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.139 -1.625 -2.309 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.567 -2.442 -2.136 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.912 0.144 -1.966 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.465 -1.248 -2.981 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.637 0.366 -3.711 1.00 0.41 H new ATOM 938 N ALA A 80 -5.387 0.785 -6.248 1.00 0.50 N ATOM 939 CA ALA A 80 -5.877 2.143 -6.442 1.00 0.54 C ATOM 940 C ALA A 80 -7.393 2.165 -6.581 1.00 0.58 C ATOM 941 O ALA A 80 -8.068 2.984 -5.961 1.00 0.61 O ATOM 942 CB ALA A 80 -5.227 2.760 -7.660 1.00 0.63 C ATOM 0 H ALA A 80 -4.772 0.448 -6.989 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.613 2.730 -5.563 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.600 3.775 -7.797 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.146 2.786 -7.522 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.466 2.164 -8.541 1.00 0.63 H new ATOM 948 N ASP A 81 -7.915 1.250 -7.391 1.00 0.64 N ATOM 949 CA ASP A 81 -9.357 1.110 -7.581 1.00 0.70 C ATOM 950 C ASP A 81 -10.035 0.800 -6.253 1.00 0.60 C ATOM 951 O ASP A 81 -11.099 1.336 -5.938 1.00 0.67 O ATOM 952 CB ASP A 81 -9.646 -0.005 -8.594 1.00 0.78 C ATOM 953 CG ASP A 81 -11.121 -0.348 -8.686 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.880 0.419 -9.315 1.00 2.06 O ATOM 955 OD2 ASP A 81 -11.526 -1.395 -8.138 1.00 2.30 O ATOM 0 H ASP A 81 -7.357 0.589 -7.931 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.755 2.049 -7.965 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.287 0.301 -9.577 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.087 -0.898 -8.314 1.00 0.78 H new ATOM 960 N ILE A 82 -9.390 -0.056 -5.478 1.00 0.50 N ATOM 961 CA ILE A 82 -9.872 -0.447 -4.162 1.00 0.45 C ATOM 962 C ILE A 82 -9.932 0.749 -3.207 1.00 0.48 C ATOM 963 O ILE A 82 -10.931 0.950 -2.512 1.00 0.61 O ATOM 964 CB ILE A 82 -8.969 -1.555 -3.581 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.175 -2.852 -4.372 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.240 -1.765 -2.100 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.179 -3.942 -4.047 1.00 0.61 C ATOM 0 H ILE A 82 -8.512 -0.502 -5.745 1.00 0.50 H new ATOM 0 HA ILE A 82 -10.886 -0.830 -4.273 1.00 0.45 H new ATOM 0 HB ILE A 82 -7.928 -1.247 -3.676 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.181 -3.226 -4.180 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.116 -2.628 -5.437 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.589 -2.552 -1.719 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.045 -0.839 -1.559 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.281 -2.055 -1.958 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.395 -4.824 -4.650 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.171 -3.591 -4.267 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.252 -4.198 -2.990 1.00 0.61 H new ATOM 974 N LEU A 83 -8.872 1.547 -3.186 1.00 0.44 N ATOM 975 CA LEU A 83 -8.815 2.725 -2.322 1.00 0.52 C ATOM 976 C LEU A 83 -9.779 3.805 -2.802 1.00 0.69 C ATOM 977 O LEU A 83 -10.440 4.460 -1.999 1.00 0.83 O ATOM 978 CB LEU A 83 -7.394 3.290 -2.262 1.00 0.47 C ATOM 979 CG LEU A 83 -6.474 2.674 -1.204 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.358 1.172 -1.386 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.099 3.318 -1.263 1.00 0.42 C ATOM 0 H LEU A 83 -8.039 1.402 -3.756 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.112 2.411 -1.321 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.930 3.159 -3.240 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.458 4.363 -2.080 1.00 0.47 H new ATOM 0 HG LEU A 83 -6.913 2.863 -0.224 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -5.699 0.763 -0.621 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.345 0.717 -1.296 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -5.947 0.956 -2.372 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.455 2.871 -0.506 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.664 3.158 -2.250 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.190 4.388 -1.076 1.00 0.42 H new ATOM 993 N ASN A 84 -9.860 3.980 -4.113 1.00 0.74 N ATOM 994 CA ASN A 84 -10.754 4.971 -4.705 1.00 0.94 C ATOM 995 C ASN A 84 -12.214 4.569 -4.495 1.00 0.97 C ATOM 996 O ASN A 84 -13.112 5.405 -4.526 1.00 1.15 O ATOM 997 CB ASN A 84 -10.453 5.127 -6.201 1.00 1.04 C ATOM 998 CG ASN A 84 -11.304 6.186 -6.878 1.00 1.27 C ATOM 999 OD1 ASN A 84 -12.393 5.903 -7.372 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.809 7.416 -6.919 1.00 1.79 N ATOM 0 H ASN A 84 -9.316 3.447 -4.792 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.587 5.929 -4.212 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.401 5.381 -6.328 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.613 4.170 -6.698 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.336 8.163 -7.371 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -9.901 7.615 -6.498 1.00 1.79 H new ATOM 1007 N SER A 85 -12.435 3.280 -4.265 1.00 0.87 N ATOM 1008 CA SER A 85 -13.773 2.763 -4.025 1.00 0.93 C ATOM 1009 C SER A 85 -14.280 3.208 -2.654 1.00 0.91 C ATOM 1010 O SER A 85 -15.488 3.252 -2.413 1.00 1.01 O ATOM 1011 CB SER A 85 -13.775 1.234 -4.128 1.00 0.98 C ATOM 1012 OG SER A 85 -15.090 0.707 -4.073 1.00 1.50 O ATOM 0 H SER A 85 -11.700 2.573 -4.240 1.00 0.87 H new ATOM 0 HA SER A 85 -14.444 3.164 -4.785 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.300 0.931 -5.061 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.180 0.814 -3.317 1.00 0.98 H new ATOM 0 HG SER A 85 -15.054 -0.270 -4.143 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.352 3.543 -1.763 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.706 4.034 -0.441 1.00 0.95 C ATOM 1020 C ALA A 86 -14.256 5.451 -0.546 1.00 1.14 C ATOM 1021 O ALA A 86 -13.502 6.422 -0.620 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.501 3.988 0.487 1.00 1.09 C ATOM 0 H ALA A 86 -12.349 3.482 -1.935 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.478 3.390 -0.019 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.786 4.359 1.472 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.148 2.960 0.575 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.705 4.611 0.080 1.00 1.09 H new ATOM 1028 N SER A 87 -15.573 5.558 -0.571 1.00 1.41 N ATOM 1029 CA SER A 87 -16.232 6.836 -0.763 1.00 1.70 C ATOM 1030 C SER A 87 -16.216 7.655 0.522 1.00 1.53 C ATOM 1031 O SER A 87 -16.997 7.410 1.444 1.00 1.80 O ATOM 1032 CB SER A 87 -17.664 6.603 -1.237 1.00 2.36 C ATOM 1033 OG SER A 87 -17.678 5.756 -2.375 1.00 3.09 O ATOM 0 H SER A 87 -16.210 4.769 -0.460 1.00 1.41 H new ATOM 0 HA SER A 87 -15.692 7.402 -1.522 1.00 1.70 H new ATOM 0 HB2 SER A 87 -18.251 6.155 -0.435 1.00 2.36 H new ATOM 0 HB3 SER A 87 -18.133 7.557 -1.480 1.00 2.36 H new ATOM 0 HG SER A 87 -18.603 5.615 -2.666 1.00 3.09 H new ATOM 1039 N ARG A 88 -15.304 8.612 0.585 1.00 1.60 N ATOM 1040 CA ARG A 88 -15.180 9.477 1.745 1.00 1.65 C ATOM 1041 C ARG A 88 -15.809 10.834 1.471 1.00 1.89 C ATOM 1042 O ARG A 88 -15.583 11.434 0.418 1.00 2.38 O ATOM 1043 CB ARG A 88 -13.708 9.652 2.122 1.00 2.05 C ATOM 1044 CG ARG A 88 -13.029 8.361 2.546 1.00 2.61 C ATOM 1045 CD ARG A 88 -13.678 7.775 3.790 1.00 3.30 C ATOM 1046 NE ARG A 88 -13.590 8.680 4.936 1.00 4.00 N ATOM 1047 CZ ARG A 88 -14.371 8.595 6.016 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -15.303 7.652 6.096 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -14.218 9.457 7.014 1.00 5.55 N ATOM 0 H ARG A 88 -14.635 8.809 -0.159 1.00 1.60 H new ATOM 0 HA ARG A 88 -15.706 9.010 2.577 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -13.172 10.072 1.271 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -13.634 10.375 2.934 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -13.079 7.637 1.732 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -11.973 8.550 2.739 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -14.725 7.555 3.582 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -13.196 6.829 4.038 1.00 3.30 H new ATOM 0 HE ARG A 88 -12.890 9.421 4.909 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -15.425 6.989 5.331 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -15.897 7.591 6.923 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -13.504 10.183 6.956 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -14.814 9.393 7.839 1.00 5.55 H new ATOM 1063 N VAL A 89 -16.610 11.299 2.414 1.00 1.99 N ATOM 1064 CA VAL A 89 -17.222 12.612 2.317 1.00 2.41 C ATOM 1065 C VAL A 89 -16.254 13.675 2.831 1.00 2.25 C ATOM 1066 O VAL A 89 -15.747 13.565 3.951 1.00 2.30 O ATOM 1067 CB VAL A 89 -18.538 12.683 3.125 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -19.172 14.063 3.013 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -19.511 11.609 2.659 1.00 3.55 C ATOM 0 H VAL A 89 -16.852 10.783 3.260 1.00 1.99 H new ATOM 0 HA VAL A 89 -17.453 12.796 1.268 1.00 2.41 H new ATOM 0 HB VAL A 89 -18.301 12.503 4.174 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -20.096 14.087 3.590 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -18.483 14.813 3.401 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -19.392 14.279 1.967 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -20.431 11.675 3.240 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -19.737 11.756 1.603 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -19.063 10.626 2.801 1.00 3.55 H new ATOM 1073 N PRO A 90 -15.952 14.696 2.012 1.00 2.60 N ATOM 1074 CA PRO A 90 -15.077 15.802 2.409 1.00 2.83 C ATOM 1075 C PRO A 90 -15.729 16.710 3.449 1.00 2.80 C ATOM 1076 O PRO A 90 -16.092 17.851 3.158 1.00 3.31 O ATOM 1077 CB PRO A 90 -14.831 16.574 1.104 1.00 3.67 C ATOM 1078 CG PRO A 90 -15.349 15.701 0.011 1.00 3.95 C ATOM 1079 CD PRO A 90 -16.417 14.847 0.628 1.00 3.27 C ATOM 0 HA PRO A 90 -14.161 15.439 2.875 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -15.346 17.534 1.115 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -13.770 16.783 0.968 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -15.752 16.299 -0.806 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -14.552 15.086 -0.407 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -17.395 15.325 0.580 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -16.507 13.885 0.124 1.00 3.27 H new ATOM 1087 N GLU A 91 -15.875 16.188 4.658 1.00 2.59 N ATOM 1088 CA GLU A 91 -16.476 16.929 5.755 1.00 2.75 C ATOM 1089 C GLU A 91 -15.550 18.049 6.217 1.00 2.55 C ATOM 1090 O GLU A 91 -14.325 17.935 6.124 1.00 2.93 O ATOM 1091 CB GLU A 91 -16.792 15.988 6.919 1.00 3.30 C ATOM 1092 CG GLU A 91 -15.573 15.261 7.464 1.00 3.94 C ATOM 1093 CD GLU A 91 -15.911 14.350 8.623 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -15.967 14.842 9.769 1.00 5.08 O ATOM 1095 OE2 GLU A 91 -16.129 13.140 8.395 1.00 5.02 O ATOM 0 H GLU A 91 -15.581 15.243 4.905 1.00 2.59 H new ATOM 0 HA GLU A 91 -17.406 17.375 5.402 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -17.252 16.561 7.724 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -17.527 15.252 6.591 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -15.117 14.675 6.666 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -14.832 15.992 7.785 1.00 3.94 H new ATOM 1102 N SER A 92 -16.134 19.129 6.703 1.00 2.55 N ATOM 1103 CA SER A 92 -15.370 20.274 7.167 1.00 2.76 C ATOM 1104 C SER A 92 -16.160 21.036 8.226 1.00 2.95 C ATOM 1105 O SER A 92 -17.136 21.725 7.866 1.00 3.07 O ATOM 1106 CB SER A 92 -15.017 21.193 5.992 1.00 3.61 C ATOM 1107 OG SER A 92 -14.224 20.509 5.031 1.00 4.12 O ATOM 1108 OXT SER A 92 -15.812 20.932 9.420 1.00 3.54 O ATOM 0 H SER A 92 -17.145 19.238 6.787 1.00 2.55 H new ATOM 0 HA SER A 92 -14.441 19.919 7.614 1.00 2.76 H new ATOM 0 HB2 SER A 92 -15.931 21.556 5.522 1.00 3.61 H new ATOM 0 HB3 SER A 92 -14.478 22.067 6.358 1.00 3.61 H new ATOM 0 HG SER A 92 -14.013 21.115 4.290 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -14.701 10.357 -4.504 1.00 4.46 N ATOM 1116 CA MET B 14 -13.703 9.514 -5.202 1.00 3.81 C ATOM 1117 C MET B 14 -13.293 10.152 -6.531 1.00 2.82 C ATOM 1118 O MET B 14 -13.212 9.477 -7.559 1.00 2.99 O ATOM 1119 CB MET B 14 -14.268 8.103 -5.440 1.00 4.49 C ATOM 1120 CG MET B 14 -15.552 8.064 -6.262 1.00 5.01 C ATOM 1121 SD MET B 14 -16.974 8.746 -5.389 1.00 5.79 S ATOM 1122 CE MET B 14 -18.228 8.645 -6.664 1.00 6.44 C ATOM 0 HA MET B 14 -12.818 9.435 -4.570 1.00 3.81 H new ATOM 0 HB2 MET B 14 -13.511 7.503 -5.944 1.00 4.49 H new ATOM 0 HB3 MET B 14 -14.456 7.633 -4.474 1.00 4.49 H new ATOM 0 HG2 MET B 14 -15.401 8.620 -7.187 1.00 5.01 H new ATOM 0 HG3 MET B 14 -15.766 7.032 -6.542 1.00 5.01 H new ATOM 0 HE1 MET B 14 -19.171 9.031 -6.278 1.00 6.44 H new ATOM 0 HE2 MET B 14 -17.919 9.237 -7.526 1.00 6.44 H new ATOM 0 HE3 MET B 14 -18.358 7.606 -6.965 1.00 6.44 H new ATOM 1134 N MET B 15 -13.025 11.457 -6.494 1.00 2.12 N ATOM 1135 CA MET B 15 -12.706 12.224 -7.700 1.00 1.95 C ATOM 1136 C MET B 15 -11.495 11.666 -8.440 1.00 1.69 C ATOM 1137 O MET B 15 -11.579 11.352 -9.626 1.00 2.48 O ATOM 1138 CB MET B 15 -12.454 13.695 -7.356 1.00 2.52 C ATOM 1139 CG MET B 15 -13.669 14.416 -6.797 1.00 3.06 C ATOM 1140 SD MET B 15 -13.365 16.173 -6.511 1.00 3.93 S ATOM 1141 CE MET B 15 -11.985 16.101 -5.370 1.00 4.73 C ATOM 0 H MET B 15 -13.022 12.009 -5.636 1.00 2.12 H new ATOM 0 HA MET B 15 -13.571 12.141 -8.358 1.00 1.95 H new ATOM 0 HB2 MET B 15 -11.643 13.754 -6.630 1.00 2.52 H new ATOM 0 HB3 MET B 15 -12.117 14.215 -8.253 1.00 2.52 H new ATOM 0 HG2 MET B 15 -14.504 14.304 -7.489 1.00 3.06 H new ATOM 0 HG3 MET B 15 -13.967 13.946 -5.860 1.00 3.06 H new ATOM 0 HE1 MET B 15 -11.774 17.101 -4.990 1.00 4.73 H new ATOM 0 HE2 MET B 15 -12.235 15.442 -4.538 1.00 4.73 H new ATOM 0 HE3 MET B 15 -11.106 15.716 -5.886 1.00 4.73 H new ATOM 1151 N SER B 16 -10.376 11.534 -7.746 1.00 1.19 N ATOM 1152 CA SER B 16 -9.146 11.123 -8.383 1.00 1.17 C ATOM 1153 C SER B 16 -8.416 10.090 -7.544 1.00 1.05 C ATOM 1154 O SER B 16 -8.666 9.950 -6.344 1.00 1.91 O ATOM 1155 CB SER B 16 -8.245 12.336 -8.613 1.00 1.62 C ATOM 1156 OG SER B 16 -8.915 13.332 -9.371 1.00 2.01 O ATOM 0 H SER B 16 -10.299 11.706 -6.744 1.00 1.19 H new ATOM 0 HA SER B 16 -9.395 10.670 -9.343 1.00 1.17 H new ATOM 0 HB2 SER B 16 -7.936 12.751 -7.654 1.00 1.62 H new ATOM 0 HB3 SER B 16 -7.339 12.027 -9.133 1.00 1.62 H new ATOM 0 HG SER B 16 -8.319 14.098 -9.504 1.00 2.01 H new ATOM 1162 N ALA B 17 -7.542 9.358 -8.201 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.660 8.414 -7.541 1.00 0.81 C ATOM 1164 C ALA B 17 -5.238 8.599 -8.049 1.00 0.69 C ATOM 1165 O ALA B 17 -4.701 7.750 -8.766 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.130 6.983 -7.762 1.00 1.09 C ATOM 0 H ALA B 17 -7.421 9.400 -9.213 1.00 0.94 H new ATOM 0 HA ALA B 17 -6.681 8.607 -6.468 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.452 6.295 -7.257 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.135 6.864 -7.358 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.140 6.764 -8.830 1.00 1.09 H new ATOM 1172 N SER B 18 -4.639 9.721 -7.684 1.00 0.64 N ATOM 1173 CA SER B 18 -3.308 10.060 -8.144 1.00 0.61 C ATOM 1174 C SER B 18 -2.264 9.242 -7.390 1.00 0.50 C ATOM 1175 O SER B 18 -2.553 8.688 -6.324 1.00 0.45 O ATOM 1176 CB SER B 18 -3.052 11.562 -7.978 1.00 0.67 C ATOM 1177 OG SER B 18 -1.822 11.945 -8.567 1.00 1.33 O ATOM 0 H SER B 18 -5.060 10.415 -7.066 1.00 0.64 H new ATOM 0 HA SER B 18 -3.230 9.818 -9.204 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.867 12.124 -8.435 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.044 11.816 -6.918 1.00 0.67 H new ATOM 0 HG SER B 18 -1.687 12.908 -8.446 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.061 9.173 -7.932 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.048 8.251 -7.433 1.00 0.43 C ATOM 1185 C LYS B 19 0.299 8.547 -5.975 1.00 0.35 C ATOM 1186 O LYS B 19 0.249 7.656 -5.121 1.00 0.28 O ATOM 1187 CB LYS B 19 1.210 8.323 -8.302 1.00 0.54 C ATOM 1188 CG LYS B 19 0.929 8.374 -9.798 1.00 0.85 C ATOM 1189 CD LYS B 19 0.063 7.210 -10.260 1.00 1.13 C ATOM 1190 CE LYS B 19 -0.238 7.309 -11.746 1.00 1.74 C ATOM 1191 NZ LYS B 19 -1.169 6.246 -12.204 1.00 2.10 N ATOM 0 H LYS B 19 -0.758 9.745 -8.720 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.457 7.242 -7.484 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.783 9.206 -8.020 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.836 7.456 -8.090 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.432 9.313 -10.041 1.00 0.85 H new ATOM 0 HG3 LYS B 19 1.872 8.362 -10.344 1.00 0.85 H new ATOM 0 HD2 LYS B 19 0.571 6.269 -10.051 1.00 1.13 H new ATOM 0 HD3 LYS B 19 -0.870 7.201 -9.697 1.00 1.13 H new ATOM 0 HE2 LYS B 19 -0.670 8.286 -11.963 1.00 1.74 H new ATOM 0 HE3 LYS B 19 0.693 7.241 -12.309 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 -1.345 6.354 -13.223 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 -0.747 5.313 -12.022 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -2.068 6.326 -11.687 1.00 2.10 H new ATOM 1205 N GLU B 20 0.619 9.807 -5.693 1.00 0.41 N ATOM 1206 CA GLU B 20 1.022 10.218 -4.351 1.00 0.42 C ATOM 1207 C GLU B 20 -0.106 10.020 -3.339 1.00 0.34 C ATOM 1208 O GLU B 20 0.146 9.771 -2.164 1.00 0.30 O ATOM 1209 CB GLU B 20 1.472 11.682 -4.350 1.00 0.57 C ATOM 1210 CG GLU B 20 0.398 12.652 -4.811 1.00 0.64 C ATOM 1211 CD GLU B 20 0.846 14.093 -4.733 1.00 0.95 C ATOM 1212 OE1 GLU B 20 1.615 14.530 -5.615 1.00 1.49 O ATOM 1213 OE2 GLU B 20 0.427 14.800 -3.792 1.00 1.58 O ATOM 0 H GLU B 20 0.607 10.563 -6.378 1.00 0.41 H new ATOM 0 HA GLU B 20 1.858 9.585 -4.054 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.787 11.955 -3.343 1.00 0.57 H new ATOM 0 HB3 GLU B 20 2.344 11.785 -4.996 1.00 0.57 H new ATOM 0 HG2 GLU B 20 0.118 12.417 -5.838 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -0.494 12.519 -4.199 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.346 10.122 -3.805 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.508 9.965 -2.937 1.00 0.39 C ATOM 1222 C GLU B 21 -2.604 8.526 -2.445 1.00 0.32 C ATOM 1223 O GLU B 21 -2.837 8.260 -1.258 1.00 0.33 O ATOM 1224 CB GLU B 21 -3.780 10.353 -3.692 1.00 0.50 C ATOM 1225 CG GLU B 21 -3.732 11.749 -4.290 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.025 12.139 -4.978 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.516 11.367 -5.821 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -5.553 13.232 -4.680 1.00 1.54 O ATOM 0 H GLU B 21 -1.573 10.313 -4.781 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.397 10.622 -2.074 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -3.953 9.631 -4.490 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.630 10.287 -3.013 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -3.514 12.469 -3.502 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -2.913 11.804 -5.008 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.399 7.602 -3.369 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.388 6.185 -3.053 1.00 0.29 C ATOM 1237 C ILE B 22 -1.214 5.868 -2.137 1.00 0.24 C ATOM 1238 O ILE B 22 -1.374 5.218 -1.102 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.273 5.344 -4.337 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.396 5.723 -5.306 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.319 3.856 -4.003 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.144 5.280 -6.725 1.00 0.44 C ATOM 0 H ILE B 22 -2.236 7.812 -4.354 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.323 5.938 -2.551 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.316 5.551 -4.816 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.330 5.282 -4.957 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.529 6.805 -5.290 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.237 3.274 -4.921 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.491 3.606 -3.340 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.262 3.623 -3.509 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -3.981 5.583 -7.355 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.228 5.741 -7.093 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.041 4.195 -6.755 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.039 6.360 -2.519 1.00 0.20 N ATOM 1250 CA ALA B 23 1.179 6.144 -1.749 1.00 0.19 C ATOM 1251 C ALA B 23 1.051 6.718 -0.344 1.00 0.20 C ATOM 1252 O ALA B 23 1.653 6.206 0.596 1.00 0.20 O ATOM 1253 CB ALA B 23 2.372 6.758 -2.464 1.00 0.20 C ATOM 0 H ALA B 23 0.094 6.915 -3.364 1.00 0.20 H new ATOM 0 HA ALA B 23 1.336 5.069 -1.661 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.275 6.589 -1.877 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.485 6.297 -3.445 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.213 7.830 -2.583 1.00 0.20 H new ATOM 1259 N ALA B 24 0.259 7.779 -0.212 1.00 0.22 N ATOM 1260 CA ALA B 24 0.012 8.406 1.079 1.00 0.25 C ATOM 1261 C ALA B 24 -0.534 7.397 2.078 1.00 0.23 C ATOM 1262 O ALA B 24 0.010 7.238 3.170 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.951 9.571 0.924 1.00 0.31 C ATOM 0 H ALA B 24 -0.225 8.224 -0.992 1.00 0.22 H new ATOM 0 HA ALA B 24 0.961 8.783 1.461 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.126 10.030 1.897 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.523 10.309 0.246 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.896 9.210 0.517 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.600 6.701 1.701 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.174 5.682 2.576 1.00 0.23 C ATOM 1271 C LEU B 25 -1.223 4.503 2.743 1.00 0.22 C ATOM 1272 O LEU B 25 -1.155 3.899 3.815 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.522 5.195 2.047 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.707 6.121 2.320 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.955 5.587 1.641 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.943 6.263 3.818 1.00 0.43 C ATOM 0 H LEU B 25 -2.080 6.819 0.809 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.331 6.143 3.551 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.439 5.047 0.970 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.735 4.221 2.487 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.477 7.106 1.913 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.793 6.255 1.842 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.788 5.529 0.565 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -6.182 4.593 2.027 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.791 6.926 3.992 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.154 5.284 4.247 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.053 6.681 4.289 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.483 4.189 1.686 1.00 0.20 N ATOM 1289 CA ILE B 26 0.470 3.087 1.723 1.00 0.21 C ATOM 1290 C ILE B 26 1.551 3.332 2.777 1.00 0.20 C ATOM 1291 O ILE B 26 1.777 2.493 3.653 1.00 0.22 O ATOM 1292 CB ILE B 26 1.130 2.855 0.343 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.068 2.513 -0.713 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.167 1.745 0.435 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.636 2.261 -2.095 1.00 0.27 C ATOM 0 H ILE B 26 -0.525 4.682 0.794 1.00 0.20 H new ATOM 0 HA ILE B 26 -0.090 2.191 1.990 1.00 0.21 H new ATOM 0 HB ILE B 26 1.630 3.774 0.039 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.481 1.628 -0.389 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.651 3.331 -0.770 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.624 1.592 -0.543 1.00 0.24 H new ATOM 0 HG22 ILE B 26 2.936 2.024 1.155 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.685 0.823 0.759 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.175 2.026 -2.784 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.160 3.152 -2.441 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.332 1.423 -2.055 1.00 0.27 H new ATOM 1302 N VAL B 27 2.204 4.491 2.708 1.00 0.18 N ATOM 1303 CA VAL B 27 3.263 4.819 3.658 1.00 0.20 C ATOM 1304 C VAL B 27 2.695 5.052 5.052 1.00 0.22 C ATOM 1305 O VAL B 27 3.342 4.743 6.052 1.00 0.23 O ATOM 1306 CB VAL B 27 4.094 6.056 3.229 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.783 5.805 1.901 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.233 7.311 3.152 1.00 0.21 C ATOM 0 H VAL B 27 2.020 5.212 2.010 1.00 0.18 H new ATOM 0 HA VAL B 27 3.930 3.957 3.672 1.00 0.20 H new ATOM 0 HB VAL B 27 4.854 6.220 3.992 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.360 6.685 1.619 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.450 4.948 1.993 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.034 5.601 1.135 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.849 8.157 2.848 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.437 7.162 2.423 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.796 7.513 4.130 1.00 0.21 H new ATOM 1312 N ASN B 28 1.473 5.576 5.115 1.00 0.25 N ATOM 1313 CA ASN B 28 0.826 5.838 6.393 1.00 0.32 C ATOM 1314 C ASN B 28 0.581 4.535 7.140 1.00 0.27 C ATOM 1315 O ASN B 28 0.768 4.465 8.352 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.496 6.583 6.203 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.121 6.988 7.526 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -0.423 7.269 8.500 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.441 7.027 7.570 1.00 0.86 N ATOM 0 H ASN B 28 0.915 5.826 4.298 1.00 0.25 H new ATOM 0 HA ASN B 28 1.494 6.469 6.980 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.326 7.472 5.596 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.192 5.950 5.653 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.915 7.297 8.432 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.986 6.787 6.742 1.00 0.86 H new ATOM 1326 N TYR B 29 0.182 3.498 6.409 1.00 0.25 N ATOM 1327 CA TYR B 29 -0.038 2.192 7.013 1.00 0.24 C ATOM 1328 C TYR B 29 1.250 1.669 7.636 1.00 0.18 C ATOM 1329 O TYR B 29 1.261 1.239 8.788 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.567 1.187 5.986 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.734 -0.204 6.557 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.608 -0.436 7.609 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.001 -1.276 6.068 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.751 -1.694 8.155 1.00 1.25 C ATOM 1335 CE2 TYR B 29 -0.132 -2.540 6.612 1.00 1.22 C ATOM 1336 CZ TYR B 29 -1.010 -2.743 7.656 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.138 -3.995 8.213 1.00 0.49 O ATOM 0 H TYR B 29 0.006 3.538 5.405 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.789 2.310 7.794 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.527 1.536 5.605 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.117 1.147 5.138 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.187 0.384 8.008 1.00 1.23 H new ATOM 0 HD2 TYR B 29 0.688 -1.120 5.249 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.441 -1.856 8.970 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.448 -3.363 6.222 1.00 1.22 H new ATOM 0 HH TYR B 29 -0.548 -4.623 7.746 1.00 0.49 H new ATOM 1347 N PHE B 30 2.337 1.725 6.874 1.00 0.16 N ATOM 1348 CA PHE B 30 3.634 1.289 7.373 1.00 0.16 C ATOM 1349 C PHE B 30 4.051 2.129 8.575 1.00 0.18 C ATOM 1350 O PHE B 30 4.617 1.614 9.540 1.00 0.21 O ATOM 1351 CB PHE B 30 4.701 1.383 6.281 1.00 0.19 C ATOM 1352 CG PHE B 30 4.454 0.498 5.090 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.989 -0.798 5.252 1.00 1.17 C ATOM 1354 CD2 PHE B 30 4.704 0.960 3.809 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.778 -1.613 4.156 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.493 0.147 2.711 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.030 -1.140 2.887 1.00 0.25 C ATOM 0 H PHE B 30 2.345 2.067 5.913 1.00 0.16 H new ATOM 0 HA PHE B 30 3.542 0.247 7.679 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.766 2.417 5.942 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.669 1.128 6.713 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.790 -1.174 6.244 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.068 1.967 3.666 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.415 -2.621 4.294 1.00 1.16 H new ATOM 0 HE2 PHE B 30 4.691 0.519 1.717 1.00 1.22 H new ATOM 0 HZ PHE B 30 3.865 -1.777 2.030 1.00 0.25 H new ATOM 1367 N SER B 31 3.752 3.423 8.514 1.00 0.21 N ATOM 1368 CA SER B 31 4.033 4.328 9.616 1.00 0.26 C ATOM 1369 C SER B 31 3.233 3.916 10.851 1.00 0.25 C ATOM 1370 O SER B 31 3.750 3.923 11.963 1.00 0.27 O ATOM 1371 CB SER B 31 3.700 5.771 9.219 1.00 0.35 C ATOM 1372 OG SER B 31 4.116 6.690 10.217 1.00 1.15 O ATOM 0 H SER B 31 3.313 3.867 7.707 1.00 0.21 H new ATOM 0 HA SER B 31 5.095 4.272 9.854 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.187 6.012 8.274 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.626 5.867 9.058 1.00 0.35 H new ATOM 0 HG SER B 31 3.892 7.602 9.936 1.00 1.15 H new ATOM 1378 N SER B 32 1.979 3.526 10.640 1.00 0.27 N ATOM 1379 CA SER B 32 1.119 3.081 11.727 1.00 0.30 C ATOM 1380 C SER B 32 1.672 1.807 12.364 1.00 0.28 C ATOM 1381 O SER B 32 1.562 1.600 13.579 1.00 0.36 O ATOM 1382 CB SER B 32 -0.298 2.837 11.204 1.00 0.40 C ATOM 1383 OG SER B 32 -0.811 3.990 10.557 1.00 0.99 O ATOM 0 H SER B 32 1.536 3.510 9.721 1.00 0.27 H new ATOM 0 HA SER B 32 1.089 3.860 12.488 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.292 1.998 10.508 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.951 2.560 12.031 1.00 0.40 H new ATOM 0 HG SER B 32 -0.309 4.152 9.731 1.00 0.99 H new ATOM 1389 N ILE B 33 2.278 0.963 11.534 1.00 0.24 N ATOM 1390 CA ILE B 33 2.876 -0.279 12.000 1.00 0.27 C ATOM 1391 C ILE B 33 4.058 -0.001 12.926 1.00 0.26 C ATOM 1392 O ILE B 33 4.129 -0.534 14.034 1.00 0.32 O ATOM 1393 CB ILE B 33 3.361 -1.155 10.824 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.200 -1.533 9.905 1.00 0.30 C ATOM 1395 CG2 ILE B 33 4.045 -2.409 11.342 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.618 -2.408 8.741 1.00 0.34 C ATOM 0 H ILE B 33 2.367 1.120 10.530 1.00 0.24 H new ATOM 0 HA ILE B 33 2.100 -0.816 12.545 1.00 0.27 H new ATOM 0 HB ILE B 33 4.079 -0.573 10.247 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.439 -2.053 10.487 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.739 -0.623 9.520 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.380 -3.015 10.500 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.903 -2.129 11.953 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.342 -2.984 11.945 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.747 -2.639 8.129 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.357 -1.881 8.137 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.052 -3.334 9.119 1.00 0.34 H new ATOM 1403 N VAL B 34 4.974 0.844 12.472 1.00 0.25 N ATOM 1404 CA VAL B 34 6.190 1.126 13.230 1.00 0.31 C ATOM 1405 C VAL B 34 5.923 2.082 14.390 1.00 0.37 C ATOM 1406 O VAL B 34 6.696 2.136 15.345 1.00 0.47 O ATOM 1407 CB VAL B 34 7.308 1.704 12.332 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.680 0.718 11.236 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.894 3.039 11.730 1.00 0.33 C ATOM 0 H VAL B 34 4.901 1.345 11.587 1.00 0.25 H new ATOM 0 HA VAL B 34 6.527 0.171 13.633 1.00 0.31 H new ATOM 0 HB VAL B 34 8.184 1.873 12.957 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.468 1.144 10.615 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.034 -0.210 11.686 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.805 0.512 10.620 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.700 3.421 11.103 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.997 2.903 11.125 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.688 3.750 12.530 1.00 0.33 H new ATOM 1413 N GLU B 35 4.825 2.828 14.304 1.00 0.35 N ATOM 1414 CA GLU B 35 4.460 3.783 15.344 1.00 0.46 C ATOM 1415 C GLU B 35 4.186 3.069 16.663 1.00 0.51 C ATOM 1416 O GLU B 35 4.848 3.323 17.669 1.00 0.62 O ATOM 1417 CB GLU B 35 3.226 4.583 14.921 1.00 0.51 C ATOM 1418 CG GLU B 35 2.867 5.711 15.875 1.00 0.70 C ATOM 1419 CD GLU B 35 3.962 6.752 15.981 1.00 1.49 C ATOM 1420 OE1 GLU B 35 4.118 7.556 15.038 1.00 2.19 O ATOM 1421 OE2 GLU B 35 4.680 6.767 16.999 1.00 2.22 O ATOM 0 H GLU B 35 4.171 2.789 13.522 1.00 0.35 H new ATOM 0 HA GLU B 35 5.297 4.466 15.486 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.398 5.000 13.929 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.376 3.905 14.839 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.947 6.189 15.538 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.667 5.297 16.863 1.00 0.70 H new ATOM 1428 N LYS B 36 3.218 2.163 16.652 1.00 0.47 N ATOM 1429 CA LYS B 36 2.838 1.457 17.870 1.00 0.55 C ATOM 1430 C LYS B 36 3.531 0.099 17.970 1.00 0.51 C ATOM 1431 O LYS B 36 3.175 -0.741 18.799 1.00 0.61 O ATOM 1432 CB LYS B 36 1.316 1.306 17.956 1.00 0.67 C ATOM 1433 CG LYS B 36 0.680 0.744 16.698 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.828 0.627 16.844 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.480 0.132 15.562 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.261 1.070 14.429 1.00 2.08 N ATOM 0 H LYS B 36 2.685 1.901 15.823 1.00 0.47 H new ATOM 0 HA LYS B 36 3.170 2.055 18.718 1.00 0.55 H new ATOM 0 HB2 LYS B 36 1.073 0.655 18.796 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.876 2.280 18.169 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.916 1.387 15.850 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.103 -0.237 16.481 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.063 -0.057 17.659 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.244 1.598 17.113 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.077 -0.848 15.305 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.550 0.004 15.725 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.881 0.808 13.636 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.480 2.040 14.734 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.268 1.019 14.123 1.00 2.08 H new ATOM 1450 N LYS B 37 4.528 -0.089 17.102 1.00 0.48 N ATOM 1451 CA LYS B 37 5.393 -1.269 17.114 1.00 0.55 C ATOM 1452 C LYS B 37 4.592 -2.560 16.920 1.00 0.59 C ATOM 1453 O LYS B 37 4.543 -3.415 17.800 1.00 0.76 O ATOM 1454 CB LYS B 37 6.199 -1.313 18.419 1.00 0.72 C ATOM 1455 CG LYS B 37 7.353 -2.304 18.408 1.00 1.19 C ATOM 1456 CD LYS B 37 8.152 -2.227 19.697 1.00 1.42 C ATOM 1457 CE LYS B 37 9.351 -3.161 19.675 1.00 1.99 C ATOM 1458 NZ LYS B 37 10.141 -3.075 20.932 1.00 2.60 N ATOM 0 H LYS B 37 4.759 0.579 16.366 1.00 0.48 H new ATOM 0 HA LYS B 37 6.084 -1.193 16.274 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.592 -0.317 18.623 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.527 -1.565 19.239 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.967 -3.315 18.276 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.005 -2.098 17.559 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.492 -1.203 19.853 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.509 -2.481 20.539 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.011 -4.186 19.529 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.989 -2.913 18.827 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.950 -3.726 20.879 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 10.487 -2.103 21.059 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.539 -3.336 21.739 1.00 2.60 H new ATOM 1472 N GLU B 38 3.982 -2.700 15.752 1.00 0.54 N ATOM 1473 CA GLU B 38 3.200 -3.890 15.429 1.00 0.69 C ATOM 1474 C GLU B 38 4.066 -4.892 14.691 1.00 0.69 C ATOM 1475 O GLU B 38 3.707 -6.058 14.536 1.00 1.03 O ATOM 1476 CB GLU B 38 1.994 -3.522 14.563 1.00 0.79 C ATOM 1477 CG GLU B 38 0.947 -2.699 15.288 1.00 1.35 C ATOM 1478 CD GLU B 38 0.208 -3.496 16.344 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.689 -4.284 15.983 1.00 2.11 O ATOM 1480 OE2 GLU B 38 0.519 -3.342 17.540 1.00 1.86 O ATOM 0 H GLU B 38 4.012 -2.003 15.008 1.00 0.54 H new ATOM 0 HA GLU B 38 2.844 -4.332 16.360 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.340 -2.966 13.692 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.531 -4.437 14.194 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.426 -1.839 15.756 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.231 -2.310 14.564 1.00 1.35 H new ATOM 1487 N ILE B 39 5.209 -4.420 14.233 1.00 0.42 N ATOM 1488 CA ILE B 39 6.125 -5.243 13.463 1.00 0.43 C ATOM 1489 C ILE B 39 7.410 -5.468 14.255 1.00 0.48 C ATOM 1490 O ILE B 39 7.633 -4.816 15.279 1.00 0.52 O ATOM 1491 CB ILE B 39 6.434 -4.579 12.100 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.055 -5.580 11.122 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.347 -3.371 12.282 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.171 -5.046 9.711 1.00 0.47 C ATOM 0 H ILE B 39 5.529 -3.463 14.382 1.00 0.42 H new ATOM 0 HA ILE B 39 5.657 -6.209 13.271 1.00 0.43 H new ATOM 0 HB ILE B 39 5.490 -4.238 11.676 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.046 -5.860 11.480 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.452 -6.488 11.111 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.551 -2.920 11.311 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.859 -2.640 12.927 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.284 -3.689 12.739 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.619 -5.806 9.070 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.180 -4.793 9.335 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.798 -4.155 9.710 1.00 0.47 H new ATOM 1501 N SER B 40 8.237 -6.399 13.803 1.00 0.55 N ATOM 1502 CA SER B 40 9.505 -6.668 14.452 1.00 0.62 C ATOM 1503 C SER B 40 10.472 -5.509 14.237 1.00 0.53 C ATOM 1504 O SER B 40 10.256 -4.675 13.355 1.00 0.48 O ATOM 1505 CB SER B 40 10.097 -7.968 13.910 1.00 0.77 C ATOM 1506 OG SER B 40 10.148 -7.949 12.493 1.00 1.82 O ATOM 0 H SER B 40 8.049 -6.981 12.987 1.00 0.55 H new ATOM 0 HA SER B 40 9.338 -6.776 15.524 1.00 0.62 H new ATOM 0 HB2 SER B 40 11.100 -8.111 14.312 1.00 0.77 H new ATOM 0 HB3 SER B 40 9.496 -8.813 14.245 1.00 0.77 H new ATOM 0 HG SER B 40 10.532 -8.790 12.168 1.00 1.82 H new ATOM 1512 N GLU B 41 11.525 -5.446 15.033 1.00 0.59 N ATOM 1513 CA GLU B 41 12.496 -4.365 14.917 1.00 0.60 C ATOM 1514 C GLU B 41 13.165 -4.396 13.547 1.00 0.49 C ATOM 1515 O GLU B 41 13.259 -3.373 12.867 1.00 0.46 O ATOM 1516 CB GLU B 41 13.538 -4.469 16.026 1.00 0.78 C ATOM 1517 CG GLU B 41 12.930 -4.427 17.416 1.00 1.08 C ATOM 1518 CD GLU B 41 13.966 -4.536 18.508 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.484 -3.490 18.941 1.00 2.19 O ATOM 1520 OE2 GLU B 41 14.262 -5.668 18.943 1.00 1.99 O ATOM 0 H GLU B 41 11.732 -6.126 15.765 1.00 0.59 H new ATOM 0 HA GLU B 41 11.974 -3.414 15.022 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.096 -5.398 15.907 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.253 -3.653 15.923 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.376 -3.496 17.538 1.00 1.08 H new ATOM 0 HG3 GLU B 41 12.212 -5.241 17.519 1.00 1.08 H new ATOM 1527 N ASP B 42 13.590 -5.587 13.138 1.00 0.52 N ATOM 1528 CA ASP B 42 14.214 -5.780 11.832 1.00 0.51 C ATOM 1529 C ASP B 42 13.262 -5.356 10.718 1.00 0.43 C ATOM 1530 O ASP B 42 13.653 -4.661 9.780 1.00 0.47 O ATOM 1531 CB ASP B 42 14.615 -7.245 11.647 1.00 0.61 C ATOM 1532 CG ASP B 42 15.354 -7.488 10.346 1.00 1.49 C ATOM 1533 OD1 ASP B 42 14.691 -7.674 9.302 1.00 2.29 O ATOM 1534 OD2 ASP B 42 16.604 -7.510 10.362 1.00 2.20 O ATOM 0 H ASP B 42 13.513 -6.438 13.695 1.00 0.52 H new ATOM 0 HA ASP B 42 15.109 -5.160 11.783 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.245 -7.553 12.481 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.721 -7.869 11.675 1.00 0.61 H new ATOM 1539 N GLY B 43 12.004 -5.767 10.842 1.00 0.39 N ATOM 1540 CA GLY B 43 11.003 -5.402 9.860 1.00 0.37 C ATOM 1541 C GLY B 43 10.763 -3.907 9.817 1.00 0.34 C ATOM 1542 O GLY B 43 10.559 -3.333 8.746 1.00 0.34 O ATOM 0 H GLY B 43 11.661 -6.348 11.607 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.320 -5.746 8.875 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.068 -5.912 10.090 1.00 0.37 H new ATOM 1546 N ALA B 44 10.798 -3.274 10.983 1.00 0.33 N ATOM 1547 CA ALA B 44 10.614 -1.833 11.080 1.00 0.33 C ATOM 1548 C ALA B 44 11.724 -1.094 10.343 1.00 0.32 C ATOM 1549 O ALA B 44 11.465 -0.145 9.602 1.00 0.31 O ATOM 1550 CB ALA B 44 10.562 -1.402 12.537 1.00 0.38 C ATOM 0 H ALA B 44 10.953 -3.739 11.878 1.00 0.33 H new ATOM 0 HA ALA B 44 9.665 -1.577 10.608 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.424 -0.322 12.592 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.730 -1.900 13.034 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.495 -1.674 13.031 1.00 0.38 H new ATOM 1556 N ASP B 45 12.960 -1.547 10.537 1.00 0.36 N ATOM 1557 CA ASP B 45 14.108 -0.960 9.849 1.00 0.38 C ATOM 1558 C ASP B 45 13.989 -1.154 8.347 1.00 0.36 C ATOM 1559 O ASP B 45 14.354 -0.276 7.563 1.00 0.37 O ATOM 1560 CB ASP B 45 15.421 -1.574 10.339 1.00 0.48 C ATOM 1561 CG ASP B 45 15.853 -1.040 11.688 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.356 0.102 11.750 1.00 1.81 O ATOM 1563 OD2 ASP B 45 15.704 -1.758 12.695 1.00 1.84 O ATOM 0 H ASP B 45 13.193 -2.317 11.164 1.00 0.36 H new ATOM 0 HA ASP B 45 14.115 0.106 10.075 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.309 -2.656 10.401 1.00 0.48 H new ATOM 0 HB3 ASP B 45 16.204 -1.376 9.607 1.00 0.48 H new ATOM 1568 N SER B 46 13.472 -2.306 7.950 1.00 0.37 N ATOM 1569 CA SER B 46 13.279 -2.614 6.544 1.00 0.40 C ATOM 1570 C SER B 46 12.240 -1.667 5.939 1.00 0.36 C ATOM 1571 O SER B 46 12.403 -1.177 4.820 1.00 0.38 O ATOM 1572 CB SER B 46 12.842 -4.074 6.388 1.00 0.50 C ATOM 1573 OG SER B 46 13.053 -4.541 5.069 1.00 0.98 O ATOM 0 H SER B 46 13.177 -3.046 8.587 1.00 0.37 H new ATOM 0 HA SER B 46 14.220 -2.476 6.011 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.397 -4.698 7.089 1.00 0.50 H new ATOM 0 HB3 SER B 46 11.787 -4.168 6.644 1.00 0.50 H new ATOM 0 HG SER B 46 13.776 -5.203 5.068 1.00 0.98 H new ATOM 1579 N LEU B 47 11.185 -1.385 6.699 1.00 0.32 N ATOM 1580 CA LEU B 47 10.151 -0.455 6.261 1.00 0.30 C ATOM 1581 C LEU B 47 10.702 0.961 6.131 1.00 0.27 C ATOM 1582 O LEU B 47 10.197 1.758 5.343 1.00 0.28 O ATOM 1583 CB LEU B 47 8.966 -0.458 7.231 1.00 0.30 C ATOM 1584 CG LEU B 47 8.060 -1.688 7.155 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.967 -1.612 8.210 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.448 -1.809 5.767 1.00 0.41 C ATOM 0 H LEU B 47 11.025 -1.788 7.622 1.00 0.32 H new ATOM 0 HA LEU B 47 9.809 -0.788 5.281 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.350 -0.373 8.248 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.362 0.430 7.043 1.00 0.30 H new ATOM 0 HG LEU B 47 8.665 -2.574 7.348 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.332 -2.495 8.141 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.420 -1.567 9.200 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.364 -0.719 8.046 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.806 -2.689 5.728 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.857 -0.919 5.551 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.242 -1.906 5.027 1.00 0.41 H new ATOM 1598 N ASN B 48 11.739 1.266 6.899 1.00 0.26 N ATOM 1599 CA ASN B 48 12.345 2.591 6.870 1.00 0.26 C ATOM 1600 C ASN B 48 12.970 2.873 5.506 1.00 0.27 C ATOM 1601 O ASN B 48 12.653 3.880 4.870 1.00 0.32 O ATOM 1602 CB ASN B 48 13.401 2.737 7.972 1.00 0.28 C ATOM 1603 CG ASN B 48 12.818 2.697 9.377 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.467 2.229 10.313 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.603 3.199 9.540 1.00 0.40 N ATOM 0 H ASN B 48 12.178 0.615 7.550 1.00 0.26 H new ATOM 0 HA ASN B 48 11.555 3.320 7.049 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.136 1.939 7.869 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.932 3.679 7.834 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.174 3.207 10.465 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.096 3.578 8.740 1.00 0.40 H new ATOM 1612 N VAL B 49 13.842 1.977 5.045 1.00 0.27 N ATOM 1613 CA VAL B 49 14.475 2.152 3.740 1.00 0.29 C ATOM 1614 C VAL B 49 13.438 2.016 2.628 1.00 0.29 C ATOM 1615 O VAL B 49 13.512 2.704 1.609 1.00 0.32 O ATOM 1616 CB VAL B 49 15.645 1.159 3.507 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.182 -0.286 3.591 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.318 1.422 2.166 1.00 0.36 C ATOM 0 H VAL B 49 14.123 1.135 5.547 1.00 0.27 H new ATOM 0 HA VAL B 49 14.899 3.156 3.723 1.00 0.29 H new ATOM 0 HB VAL B 49 16.372 1.322 4.303 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.030 -0.950 3.422 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.762 -0.477 4.579 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.421 -0.469 2.832 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.135 0.714 2.024 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.590 1.302 1.364 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.711 2.438 2.149 1.00 0.36 H new ATOM 1622 N ALA B 50 12.456 1.146 2.845 1.00 0.30 N ATOM 1623 CA ALA B 50 11.368 0.974 1.897 1.00 0.34 C ATOM 1624 C ALA B 50 10.609 2.279 1.716 1.00 0.33 C ATOM 1625 O ALA B 50 10.316 2.687 0.596 1.00 0.37 O ATOM 1626 CB ALA B 50 10.418 -0.119 2.363 1.00 0.37 C ATOM 0 H ALA B 50 12.394 0.550 3.671 1.00 0.30 H new ATOM 0 HA ALA B 50 11.796 0.679 0.939 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.611 -0.232 1.640 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.961 -1.060 2.451 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.001 0.151 3.333 1.00 0.37 H new ATOM 1632 N MET B 51 10.323 2.942 2.830 1.00 0.34 N ATOM 1633 CA MET B 51 9.531 4.165 2.826 1.00 0.39 C ATOM 1634 C MET B 51 10.255 5.291 2.111 1.00 0.31 C ATOM 1635 O MET B 51 9.630 6.110 1.433 1.00 0.30 O ATOM 1636 CB MET B 51 9.205 4.574 4.255 1.00 0.52 C ATOM 1637 CG MET B 51 8.105 5.613 4.359 1.00 0.62 C ATOM 1638 SD MET B 51 7.338 5.610 5.985 1.00 0.65 S ATOM 1639 CE MET B 51 7.004 3.858 6.155 1.00 0.41 C ATOM 0 H MET B 51 10.632 2.649 3.757 1.00 0.34 H new ATOM 0 HA MET B 51 8.605 3.968 2.286 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.910 3.689 4.818 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.107 4.965 4.726 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.517 6.601 4.153 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.348 5.419 3.599 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.197 3.709 6.872 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.711 3.448 5.189 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.901 3.349 6.508 1.00 0.41 H new ATOM 1649 N ASP B 52 11.572 5.333 2.266 1.00 0.31 N ATOM 1650 CA ASP B 52 12.382 6.307 1.550 1.00 0.32 C ATOM 1651 C ASP B 52 12.233 6.086 0.056 1.00 0.28 C ATOM 1652 O ASP B 52 12.071 7.027 -0.714 1.00 0.30 O ATOM 1653 CB ASP B 52 13.857 6.195 1.941 1.00 0.42 C ATOM 1654 CG ASP B 52 14.702 7.282 1.303 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.702 8.420 1.821 1.00 1.84 O ATOM 1656 OD2 ASP B 52 15.366 7.012 0.281 1.00 1.99 O ATOM 0 H ASP B 52 12.098 4.708 2.877 1.00 0.31 H new ATOM 0 HA ASP B 52 12.034 7.305 1.816 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.949 6.255 3.025 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.238 5.218 1.642 1.00 0.42 H new ATOM 1661 N CYS B 53 12.252 4.821 -0.329 1.00 0.27 N ATOM 1662 CA CYS B 53 12.125 4.437 -1.722 1.00 0.27 C ATOM 1663 C CYS B 53 10.715 4.713 -2.247 1.00 0.28 C ATOM 1664 O CYS B 53 10.553 5.146 -3.382 1.00 0.36 O ATOM 1665 CB CYS B 53 12.483 2.963 -1.881 1.00 0.36 C ATOM 1666 SG CYS B 53 14.143 2.555 -1.291 1.00 1.05 S ATOM 0 H CYS B 53 12.355 4.035 0.313 1.00 0.27 H new ATOM 0 HA CYS B 53 12.816 5.038 -2.313 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.755 2.360 -1.338 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.403 2.689 -2.933 1.00 0.36 H new ATOM 0 HG CYS B 53 14.120 2.407 0.000 1.00 1.05 H new ATOM 1672 N ILE B 54 9.697 4.472 -1.420 1.00 0.26 N ATOM 1673 CA ILE B 54 8.319 4.781 -1.806 1.00 0.29 C ATOM 1674 C ILE B 54 8.192 6.269 -2.120 1.00 0.30 C ATOM 1675 O ILE B 54 7.686 6.659 -3.174 1.00 0.33 O ATOM 1676 CB ILE B 54 7.293 4.423 -0.698 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.461 2.972 -0.233 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.875 4.649 -1.213 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.605 2.608 0.969 1.00 0.33 C ATOM 0 H ILE B 54 9.798 4.068 -0.489 1.00 0.26 H new ATOM 0 HA ILE B 54 8.095 4.175 -2.684 1.00 0.29 H new ATOM 0 HB ILE B 54 7.475 5.073 0.158 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.213 2.305 -1.059 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.509 2.799 0.013 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.159 4.396 -0.431 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.752 5.695 -1.493 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.699 4.017 -2.084 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.779 1.566 1.238 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.868 3.249 1.811 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.553 2.748 0.722 1.00 0.33 H new ATOM 1686 N SER B 55 8.683 7.089 -1.201 1.00 0.30 N ATOM 1687 CA SER B 55 8.634 8.536 -1.347 1.00 0.36 C ATOM 1688 C SER B 55 9.457 8.983 -2.554 1.00 0.38 C ATOM 1689 O SER B 55 9.034 9.845 -3.326 1.00 0.41 O ATOM 1690 CB SER B 55 9.159 9.195 -0.071 1.00 0.40 C ATOM 1691 OG SER B 55 8.516 8.659 1.076 1.00 0.80 O ATOM 0 H SER B 55 9.124 6.772 -0.338 1.00 0.30 H new ATOM 0 HA SER B 55 7.601 8.842 -1.510 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.236 9.042 0.006 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.992 10.271 -0.117 1.00 0.40 H new ATOM 0 HG SER B 55 8.929 7.802 1.312 1.00 0.80 H new ATOM 1697 N GLU B 56 10.622 8.369 -2.714 1.00 0.39 N ATOM 1698 CA GLU B 56 11.535 8.677 -3.808 1.00 0.48 C ATOM 1699 C GLU B 56 10.927 8.309 -5.160 1.00 0.42 C ATOM 1700 O GLU B 56 11.019 9.072 -6.123 1.00 0.45 O ATOM 1701 CB GLU B 56 12.841 7.911 -3.595 1.00 0.59 C ATOM 1702 CG GLU B 56 13.871 8.099 -4.692 1.00 0.82 C ATOM 1703 CD GLU B 56 15.129 7.305 -4.425 1.00 1.81 C ATOM 1704 OE1 GLU B 56 16.020 7.817 -3.715 1.00 2.38 O ATOM 1705 OE2 GLU B 56 15.228 6.157 -4.904 1.00 2.66 O ATOM 0 H GLU B 56 10.962 7.640 -2.086 1.00 0.39 H new ATOM 0 HA GLU B 56 11.727 9.750 -3.813 1.00 0.48 H new ATOM 0 HB2 GLU B 56 13.279 8.223 -2.647 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.613 6.849 -3.507 1.00 0.59 H new ATOM 0 HG2 GLU B 56 13.444 7.793 -5.647 1.00 0.82 H new ATOM 0 HG3 GLU B 56 14.121 9.157 -4.779 1.00 0.82 H new ATOM 1712 N ALA B 57 10.307 7.139 -5.221 1.00 0.38 N ATOM 1713 CA ALA B 57 9.731 6.630 -6.458 1.00 0.39 C ATOM 1714 C ALA B 57 8.573 7.497 -6.936 1.00 0.33 C ATOM 1715 O ALA B 57 8.477 7.822 -8.118 1.00 0.38 O ATOM 1716 CB ALA B 57 9.268 5.194 -6.270 1.00 0.41 C ATOM 0 H ALA B 57 10.189 6.519 -4.420 1.00 0.38 H new ATOM 0 HA ALA B 57 10.507 6.660 -7.223 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.839 4.825 -7.202 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.118 4.571 -5.990 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.514 5.155 -5.483 1.00 0.41 H new ATOM 1722 N PHE B 58 7.698 7.872 -6.015 1.00 0.28 N ATOM 1723 CA PHE B 58 6.525 8.664 -6.365 1.00 0.27 C ATOM 1724 C PHE B 58 6.857 10.151 -6.427 1.00 0.30 C ATOM 1725 O PHE B 58 6.134 10.933 -7.042 1.00 0.38 O ATOM 1726 CB PHE B 58 5.390 8.412 -5.372 1.00 0.27 C ATOM 1727 CG PHE B 58 4.733 7.070 -5.530 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.358 5.914 -5.089 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.488 6.966 -6.123 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.751 4.683 -5.236 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.875 5.738 -6.273 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.508 4.594 -5.830 1.00 0.29 C ATOM 0 H PHE B 58 7.776 7.643 -5.024 1.00 0.28 H new ATOM 0 HA PHE B 58 6.198 8.352 -7.357 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.781 8.498 -4.358 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.637 9.191 -5.490 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.331 5.977 -4.625 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.989 7.857 -6.473 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.248 3.790 -4.887 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.902 5.673 -6.736 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.032 3.632 -5.948 1.00 0.29 H new ATOM 1742 N GLY B 59 7.954 10.530 -5.783 1.00 0.33 N ATOM 1743 CA GLY B 59 8.422 11.900 -5.841 1.00 0.38 C ATOM 1744 C GLY B 59 7.696 12.816 -4.877 1.00 0.37 C ATOM 1745 O GLY B 59 7.309 13.925 -5.246 1.00 0.42 O ATOM 0 H GLY B 59 8.531 9.907 -5.218 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.489 11.923 -5.621 1.00 0.38 H new ATOM 0 HA3 GLY B 59 8.298 12.278 -6.856 1.00 0.38 H new ATOM 1749 N PHE B 60 7.511 12.366 -3.643 1.00 0.35 N ATOM 1750 CA PHE B 60 6.836 13.176 -2.635 1.00 0.39 C ATOM 1751 C PHE B 60 7.535 13.029 -1.288 1.00 0.39 C ATOM 1752 O PHE B 60 8.179 12.014 -1.022 1.00 0.42 O ATOM 1753 CB PHE B 60 5.353 12.785 -2.516 1.00 0.40 C ATOM 1754 CG PHE B 60 5.097 11.495 -1.781 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.447 10.277 -2.338 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.489 11.505 -0.535 1.00 1.19 C ATOM 1757 CE1 PHE B 60 5.202 9.095 -1.665 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.243 10.328 0.143 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.600 9.120 -0.423 1.00 0.33 C ATOM 0 H PHE B 60 7.817 11.449 -3.316 1.00 0.35 H new ATOM 0 HA PHE B 60 6.885 14.220 -2.946 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.820 13.588 -2.008 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.931 12.706 -3.518 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.917 10.250 -3.310 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.204 12.446 -0.089 1.00 1.19 H new ATOM 0 HE1 PHE B 60 5.482 8.152 -2.111 1.00 1.19 H new ATOM 0 HE2 PHE B 60 3.772 10.352 1.115 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.409 8.197 0.105 1.00 0.33 H new ATOM 1769 N GLU B 61 7.417 14.051 -0.454 1.00 0.47 N ATOM 1770 CA GLU B 61 8.031 14.044 0.867 1.00 0.55 C ATOM 1771 C GLU B 61 7.159 13.298 1.862 1.00 0.50 C ATOM 1772 O GLU B 61 5.931 13.325 1.775 1.00 0.47 O ATOM 1773 CB GLU B 61 8.245 15.474 1.362 1.00 0.70 C ATOM 1774 CG GLU B 61 9.234 16.275 0.537 1.00 0.80 C ATOM 1775 CD GLU B 61 9.415 17.678 1.074 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.220 17.863 2.011 1.00 2.06 O ATOM 1777 OE2 GLU B 61 8.736 18.601 0.574 1.00 2.33 O ATOM 0 H GLU B 61 6.898 14.902 -0.670 1.00 0.47 H new ATOM 0 HA GLU B 61 8.993 13.539 0.786 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.287 15.993 1.365 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.593 15.441 2.395 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.196 15.763 0.528 1.00 0.80 H new ATOM 0 HG3 GLU B 61 8.889 16.324 -0.496 1.00 0.80 H new ATOM 1784 N ARG B 62 7.808 12.659 2.830 1.00 0.53 N ATOM 1785 CA ARG B 62 7.115 11.885 3.858 1.00 0.53 C ATOM 1786 C ARG B 62 6.278 12.797 4.745 1.00 0.52 C ATOM 1787 O ARG B 62 5.411 12.338 5.476 1.00 0.64 O ATOM 1788 CB ARG B 62 8.118 11.136 4.738 1.00 0.62 C ATOM 1789 CG ARG B 62 9.200 10.388 3.976 1.00 1.40 C ATOM 1790 CD ARG B 62 10.131 9.675 4.939 1.00 1.46 C ATOM 1791 NE ARG B 62 11.379 9.246 4.312 1.00 2.25 N ATOM 1792 CZ ARG B 62 12.334 8.577 4.956 1.00 2.60 C ATOM 1793 NH1 ARG B 62 12.151 8.217 6.221 1.00 2.13 N ATOM 1794 NH2 ARG B 62 13.468 8.267 4.342 1.00 3.67 N ATOM 0 H ARG B 62 8.824 12.662 2.925 1.00 0.53 H new ATOM 0 HA ARG B 62 6.467 11.171 3.350 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.594 11.850 5.410 1.00 0.62 H new ATOM 0 HB3 ARG B 62 7.574 10.425 5.360 1.00 0.62 H new ATOM 0 HG2 ARG B 62 8.743 9.665 3.300 1.00 1.40 H new ATOM 0 HG3 ARG B 62 9.768 11.086 3.361 1.00 1.40 H new ATOM 0 HD2 ARG B 62 10.359 10.338 5.774 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.621 8.805 5.353 1.00 1.46 H new ATOM 0 HE ARG B 62 11.527 9.471 3.328 1.00 2.25 H new ATOM 0 HH11 ARG B 62 11.281 8.453 6.698 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.881 7.705 6.716 1.00 2.13 H new ATOM 0 HH21 ARG B 62 13.613 8.541 3.370 1.00 3.67 H new ATOM 0 HH22 ARG B 62 14.195 7.755 4.842 1.00 3.67 H new ATOM 1808 N GLU B 63 6.561 14.089 4.688 1.00 0.57 N ATOM 1809 CA GLU B 63 5.843 15.061 5.496 1.00 0.63 C ATOM 1810 C GLU B 63 4.581 15.536 4.782 1.00 0.62 C ATOM 1811 O GLU B 63 3.712 16.160 5.387 1.00 0.74 O ATOM 1812 CB GLU B 63 6.748 16.251 5.808 1.00 0.73 C ATOM 1813 CG GLU B 63 8.044 15.855 6.493 1.00 1.69 C ATOM 1814 CD GLU B 63 8.887 17.050 6.874 1.00 2.52 C ATOM 1815 OE1 GLU B 63 9.697 17.503 6.037 1.00 3.12 O ATOM 1816 OE2 GLU B 63 8.740 17.543 8.011 1.00 3.19 O ATOM 0 H GLU B 63 7.284 14.489 4.090 1.00 0.57 H new ATOM 0 HA GLU B 63 5.548 14.581 6.429 1.00 0.63 H new ATOM 0 HB2 GLU B 63 6.980 16.775 4.881 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.208 16.952 6.444 1.00 0.73 H new ATOM 0 HG2 GLU B 63 7.816 15.276 7.388 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.618 15.206 5.831 1.00 1.69 H new ATOM 1823 N ALA B 64 4.476 15.218 3.497 1.00 0.55 N ATOM 1824 CA ALA B 64 3.351 15.667 2.687 1.00 0.59 C ATOM 1825 C ALA B 64 2.147 14.747 2.854 1.00 0.53 C ATOM 1826 O ALA B 64 1.025 15.120 2.518 1.00 0.56 O ATOM 1827 CB ALA B 64 3.752 15.748 1.223 1.00 0.66 C ATOM 0 H ALA B 64 5.157 14.650 2.994 1.00 0.55 H new ATOM 0 HA ALA B 64 3.066 16.661 3.032 1.00 0.59 H new ATOM 0 HB1 ALA B 64 2.901 16.085 0.631 1.00 0.66 H new ATOM 0 HB2 ALA B 64 4.575 16.454 1.110 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.068 14.764 0.877 1.00 0.66 H new ATOM 1833 N VAL B 65 2.388 13.552 3.387 1.00 0.50 N ATOM 1834 CA VAL B 65 1.337 12.547 3.541 1.00 0.46 C ATOM 1835 C VAL B 65 0.154 13.086 4.355 1.00 0.52 C ATOM 1836 O VAL B 65 -1.002 12.831 4.018 1.00 0.53 O ATOM 1837 CB VAL B 65 1.885 11.248 4.188 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.523 11.521 5.535 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.793 10.205 4.333 1.00 0.50 C ATOM 0 H VAL B 65 3.305 13.254 3.721 1.00 0.50 H new ATOM 0 HA VAL B 65 0.980 12.308 2.539 1.00 0.46 H new ATOM 0 HB VAL B 65 2.653 10.859 3.520 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.895 10.588 5.957 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.351 12.219 5.411 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.782 11.954 6.207 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.207 9.306 4.789 1.00 0.50 H new ATOM 0 HG22 VAL B 65 -0.004 10.598 4.964 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.390 9.961 3.350 1.00 0.50 H new ATOM 1843 N SER B 66 0.448 13.856 5.397 1.00 0.62 N ATOM 1844 CA SER B 66 -0.589 14.426 6.249 1.00 0.74 C ATOM 1845 C SER B 66 -1.510 15.350 5.453 1.00 0.75 C ATOM 1846 O SER B 66 -2.735 15.286 5.580 1.00 0.83 O ATOM 1847 CB SER B 66 0.058 15.189 7.402 1.00 0.88 C ATOM 1848 OG SER B 66 0.960 14.358 8.116 1.00 1.63 O ATOM 0 H SER B 66 1.399 14.100 5.672 1.00 0.62 H new ATOM 0 HA SER B 66 -1.196 13.613 6.648 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.588 16.060 7.015 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.714 15.559 8.077 1.00 0.88 H new ATOM 0 HG SER B 66 1.364 14.868 8.849 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.914 16.196 4.620 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.690 17.104 3.799 1.00 0.74 C ATOM 1856 C GLY B 67 -2.496 16.370 2.748 1.00 0.69 C ATOM 1857 O GLY B 67 -3.650 16.713 2.484 1.00 0.74 O ATOM 0 H GLY B 67 0.096 16.268 4.499 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -2.362 17.682 4.433 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -1.021 17.814 3.313 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.888 15.346 2.160 1.00 0.61 N ATOM 1862 CA ILE B 68 -2.550 14.542 1.140 1.00 0.58 C ATOM 1863 C ILE B 68 -3.786 13.851 1.713 1.00 0.62 C ATOM 1864 O ILE B 68 -4.858 13.881 1.113 1.00 0.70 O ATOM 1865 CB ILE B 68 -1.595 13.480 0.550 1.00 0.50 C ATOM 1866 CG1 ILE B 68 -0.368 14.148 -0.075 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -2.316 12.626 -0.483 1.00 0.49 C ATOM 1868 CD1 ILE B 68 0.665 13.165 -0.588 1.00 0.45 C ATOM 0 H ILE B 68 -0.935 15.052 2.373 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.853 15.219 0.342 1.00 0.58 H new ATOM 0 HB ILE B 68 -1.261 12.833 1.361 1.00 0.50 H new ATOM 0 HG12 ILE B 68 -0.692 14.784 -0.899 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.098 14.798 0.666 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.627 11.884 -0.887 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -3.159 12.120 -0.012 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -2.679 13.261 -1.291 1.00 0.49 H new ATOM 0 HD11 ILE B 68 1.505 13.711 -1.017 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.018 12.545 0.236 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.216 12.531 -1.353 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.638 13.266 2.895 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.729 12.532 3.533 1.00 0.66 C ATOM 1877 C LEU B 69 -5.820 13.473 4.041 1.00 0.84 C ATOM 1878 O LEU B 69 -6.871 13.030 4.506 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.191 11.680 4.682 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.179 10.610 4.269 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.657 9.869 5.488 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.805 9.637 3.282 1.00 0.45 C ATOM 0 H LEU B 69 -2.772 13.284 3.434 1.00 0.61 H new ATOM 0 HA LEU B 69 -5.175 11.881 2.781 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.724 12.338 5.415 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -5.030 11.193 5.179 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.338 11.103 3.781 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.938 9.112 5.174 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.170 10.574 6.161 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.488 9.388 6.005 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.071 8.883 2.999 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.664 9.151 3.745 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -4.130 10.178 2.393 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.563 14.769 3.961 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.570 15.743 4.316 1.00 0.93 C ATOM 1896 C GLY B 70 -7.284 16.280 3.093 1.00 0.98 C ATOM 1897 O GLY B 70 -8.511 16.414 3.084 1.00 1.24 O ATOM 0 H GLY B 70 -4.673 15.163 3.656 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -7.295 15.288 4.990 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -6.105 16.567 4.857 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.513 16.568 2.054 1.00 0.86 N ATOM 1902 CA LYS B 71 -7.053 17.139 0.827 1.00 0.97 C ATOM 1903 C LYS B 71 -7.704 16.074 -0.050 1.00 0.98 C ATOM 1904 O LYS B 71 -8.846 16.226 -0.478 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.939 17.826 0.035 1.00 1.11 C ATOM 1906 CG LYS B 71 -6.415 18.448 -1.270 1.00 1.68 C ATOM 1907 CD LYS B 71 -5.251 18.836 -2.171 1.00 2.11 C ATOM 1908 CE LYS B 71 -4.501 17.612 -2.681 1.00 2.60 C ATOM 1909 NZ LYS B 71 -3.420 17.978 -3.634 1.00 3.15 N ATOM 0 H LYS B 71 -5.505 16.415 2.036 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.815 17.865 1.111 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.489 18.602 0.655 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.157 17.098 -0.183 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -7.061 17.743 -1.794 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -7.017 19.331 -1.053 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -5.623 19.414 -3.017 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -4.565 19.481 -1.622 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -4.072 17.072 -1.837 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -5.202 16.935 -3.170 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -2.935 17.116 -3.957 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -3.831 18.471 -4.452 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -2.737 18.603 -3.161 1.00 3.15 H new ATOM 1923 N SER B 72 -6.974 15.003 -0.305 1.00 0.91 N ATOM 1924 CA SER B 72 -7.379 14.003 -1.280 1.00 1.08 C ATOM 1925 C SER B 72 -8.567 13.170 -0.806 1.00 1.03 C ATOM 1926 O SER B 72 -8.908 13.147 0.379 1.00 1.20 O ATOM 1927 CB SER B 72 -6.193 13.096 -1.587 1.00 1.29 C ATOM 1928 OG SER B 72 -5.116 13.845 -2.122 1.00 2.02 O ATOM 0 H SER B 72 -6.087 14.801 0.155 1.00 0.91 H new ATOM 0 HA SER B 72 -7.700 14.526 -2.181 1.00 1.08 H new ATOM 0 HB2 SER B 72 -5.873 12.587 -0.678 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.493 12.324 -2.295 1.00 1.29 H new ATOM 0 HG SER B 72 -5.202 13.891 -3.097 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.172 12.472 -1.766 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.365 11.660 -1.541 1.00 1.30 C ATOM 1936 C GLU B 73 -10.049 10.424 -0.705 1.00 1.26 C ATOM 1937 O GLU B 73 -10.946 9.685 -0.304 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.935 11.227 -2.890 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.267 12.386 -3.812 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.579 13.047 -3.464 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.599 13.951 -2.606 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -13.601 12.661 -4.062 1.00 2.64 O ATOM 0 H GLU B 73 -8.844 12.455 -2.732 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.092 12.261 -0.994 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.216 10.574 -3.386 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.837 10.638 -2.721 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.468 13.125 -3.763 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.307 12.027 -4.841 1.00 1.87 H new ATOM 1949 N PHE B 74 -8.767 10.212 -0.447 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.307 9.065 0.324 1.00 1.02 C ATOM 1951 C PHE B 74 -8.328 9.384 1.816 1.00 1.07 C ATOM 1952 O PHE B 74 -7.629 8.756 2.615 1.00 1.44 O ATOM 1953 CB PHE B 74 -6.894 8.675 -0.116 1.00 0.94 C ATOM 1954 CG PHE B 74 -6.811 8.233 -1.552 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -6.853 9.159 -2.581 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.690 6.892 -1.871 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -6.776 8.755 -3.899 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -6.612 6.482 -3.188 1.00 1.25 C ATOM 1959 CZ PHE B 74 -6.655 7.414 -4.201 1.00 1.19 C ATOM 0 H PHE B 74 -8.018 10.827 -0.765 1.00 1.03 H new ATOM 0 HA PHE B 74 -8.979 8.226 0.142 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.228 9.525 0.033 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -6.532 7.871 0.525 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -6.947 10.210 -2.350 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.656 6.157 -1.081 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -6.810 9.487 -4.692 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.517 5.432 -3.423 1.00 1.25 H new ATOM 0 HZ PHE B 74 -6.594 7.096 -5.231 1.00 1.19 H new ATOM 1969 N LYS B 75 -9.149 10.360 2.181 1.00 1.12 N ATOM 1970 CA LYS B 75 -9.282 10.797 3.564 1.00 1.23 C ATOM 1971 C LYS B 75 -10.159 9.828 4.362 1.00 1.54 C ATOM 1972 O LYS B 75 -11.178 10.209 4.943 1.00 2.04 O ATOM 1973 CB LYS B 75 -9.849 12.224 3.606 1.00 1.42 C ATOM 1974 CG LYS B 75 -11.174 12.391 2.872 1.00 1.46 C ATOM 1975 CD LYS B 75 -11.543 13.856 2.653 1.00 1.65 C ATOM 1976 CE LYS B 75 -11.746 14.618 3.958 1.00 2.27 C ATOM 1977 NZ LYS B 75 -10.464 15.063 4.566 1.00 2.85 N ATOM 0 H LYS B 75 -9.741 10.871 1.526 1.00 1.12 H new ATOM 0 HA LYS B 75 -8.296 10.801 4.029 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -9.983 12.519 4.647 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -9.118 12.906 3.173 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -11.117 11.886 1.908 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -11.965 11.902 3.441 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -10.757 14.341 2.074 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -12.456 13.911 2.060 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -12.377 15.487 3.772 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -12.279 13.983 4.666 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -10.578 16.021 4.955 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -10.196 14.409 5.329 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -9.720 15.071 3.840 1.00 2.85 H new ATOM 1991 N GLY B 76 -9.757 8.565 4.368 1.00 1.89 N ATOM 1992 CA GLY B 76 -10.468 7.553 5.121 1.00 2.41 C ATOM 1993 C GLY B 76 -9.613 6.972 6.221 1.00 1.95 C ATOM 1994 O GLY B 76 -10.117 6.618 7.289 1.00 2.43 O ATOM 0 H GLY B 76 -8.943 8.221 3.859 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -11.370 7.987 5.552 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -10.787 6.756 4.449 1.00 2.41 H new ATOM 1998 N GLN B 77 -8.310 6.885 5.948 1.00 1.50 N ATOM 1999 CA GLN B 77 -7.322 6.390 6.907 1.00 1.32 C ATOM 2000 C GLN B 77 -7.483 4.897 7.174 1.00 1.10 C ATOM 2001 O GLN B 77 -8.501 4.298 6.827 1.00 1.50 O ATOM 2002 CB GLN B 77 -7.396 7.167 8.221 1.00 1.56 C ATOM 2003 CG GLN B 77 -7.035 8.641 8.093 1.00 2.02 C ATOM 2004 CD GLN B 77 -5.591 8.866 7.680 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -4.998 8.056 6.970 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -5.018 9.971 8.122 1.00 3.28 N ATOM 0 H GLN B 77 -7.909 7.157 5.051 1.00 1.50 H new ATOM 0 HA GLN B 77 -6.341 6.546 6.458 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -8.406 7.085 8.623 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -6.726 6.701 8.944 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -7.693 9.108 7.360 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -7.216 9.138 9.046 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -5.544 10.618 8.709 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -4.050 10.177 7.876 1.00 3.28 H new ATOM 2015 N HIS B 78 -6.471 4.317 7.816 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.414 2.884 8.069 1.00 0.85 C ATOM 2017 C HIS B 78 -6.503 2.097 6.770 1.00 0.69 C ATOM 2018 O HIS B 78 -7.570 1.613 6.394 1.00 0.68 O ATOM 2019 CB HIS B 78 -7.517 2.460 9.035 1.00 1.02 C ATOM 2020 CG HIS B 78 -7.223 2.786 10.466 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -8.202 2.925 11.422 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -6.047 2.986 11.104 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -7.643 3.199 12.585 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -6.333 3.242 12.422 1.00 1.85 N ATOM 0 H HIS B 78 -5.667 4.831 8.175 1.00 0.88 H new ATOM 0 HA HIS B 78 -5.452 2.662 8.532 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -8.448 2.946 8.745 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -7.676 1.386 8.942 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -5.064 2.951 10.658 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -8.168 3.361 13.515 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -5.648 3.433 13.153 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.363 1.971 6.097 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.282 1.285 4.812 1.00 0.46 C ATOM 2035 C LEU B 79 -5.904 -0.109 4.887 1.00 0.44 C ATOM 2036 O LEU B 79 -6.652 -0.513 4.002 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.821 1.174 4.368 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.597 0.531 2.996 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.131 1.424 1.889 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.121 0.239 2.779 1.00 0.41 C ATOM 0 H LEU B 79 -4.471 2.341 6.426 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.842 1.871 4.083 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.386 2.173 4.357 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.275 0.597 5.114 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.144 -0.411 2.968 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -3.961 0.948 0.923 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.200 1.582 2.033 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.616 2.384 1.915 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -1.981 -0.218 1.799 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.555 1.169 2.830 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.768 -0.444 3.552 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.606 -0.828 5.961 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.117 -2.181 6.138 1.00 0.54 C ATOM 2054 C ALA B 80 -7.636 -2.188 6.225 1.00 0.58 C ATOM 2055 O ALA B 80 -8.298 -2.997 5.579 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.514 -2.806 7.378 1.00 0.63 C ATOM 0 H ALA B 80 -5.013 -0.497 6.722 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.829 -2.771 5.267 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.902 -3.817 7.501 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.429 -2.844 7.276 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.776 -2.208 8.251 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.178 -1.270 7.018 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.624 -1.114 7.156 1.00 0.70 C ATOM 2064 C ASP B 81 -10.253 -0.798 5.805 1.00 0.60 C ATOM 2065 O ASP B 81 -11.307 -1.328 5.452 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.938 0.001 8.159 1.00 0.78 C ATOM 2067 CG ASP B 81 -11.411 0.361 8.206 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -12.198 -0.391 8.819 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -11.787 1.411 7.652 1.00 2.30 O ATOM 0 H ASP B 81 -7.633 -0.616 7.580 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.044 -2.050 7.525 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.614 -0.310 9.152 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.361 0.889 7.899 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.573 0.052 5.054 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.006 0.447 3.724 1.00 0.44 C ATOM 2076 C ILE B 82 -10.045 -0.747 2.764 1.00 0.48 C ATOM 2077 O ILE B 82 -11.020 -0.936 2.030 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.073 1.548 3.174 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.293 2.845 3.959 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.290 1.761 1.686 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.277 3.925 3.668 1.00 0.61 C ATOM 0 H ILE B 82 -8.701 0.490 5.351 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.020 0.838 3.802 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.039 1.230 3.303 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.288 3.228 3.734 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.272 2.619 5.025 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.619 2.542 1.329 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.084 0.833 1.152 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.323 2.061 1.508 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.505 4.809 4.264 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.280 3.564 3.920 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.313 4.182 2.609 1.00 0.61 H new ATOM 2088 N LEU B 83 -8.992 -1.554 2.780 1.00 0.44 N ATOM 2089 CA LEU B 83 -8.917 -2.732 1.917 1.00 0.52 C ATOM 2090 C LEU B 83 -9.907 -3.803 2.362 1.00 0.69 C ATOM 2091 O LEU B 83 -10.547 -4.450 1.537 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.500 -3.312 1.906 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.537 -2.704 0.880 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.413 -1.203 1.066 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.172 -3.360 0.985 1.00 0.43 C ATOM 0 H LEU B 83 -8.178 -1.417 3.379 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.177 -2.414 0.907 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.069 -3.187 2.899 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.568 -4.384 1.721 1.00 0.47 H new ATOM 0 HG LEU B 83 -6.944 -2.889 -0.114 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -5.723 -0.800 0.324 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.391 -0.739 0.942 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.035 -0.990 2.066 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.499 -2.918 0.250 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.770 -3.204 1.986 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.266 -4.429 0.794 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.034 -3.979 3.670 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.959 -4.962 4.230 1.00 0.94 C ATOM 2109 C ASN B 84 -12.406 -4.544 3.969 1.00 0.97 C ATOM 2110 O ASN B 84 -13.315 -5.372 3.967 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.709 -5.122 5.734 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.596 -6.173 6.382 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.697 -5.876 6.843 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -11.115 -7.407 6.439 1.00 1.79 N ATOM 0 H ASN B 84 -9.507 -3.453 4.368 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.787 -5.922 3.743 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.664 -5.388 5.895 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -10.873 -4.164 6.227 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.663 -8.148 6.876 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -10.197 -7.615 6.046 1.00 1.79 H new ATOM 2121 N SER B 85 -12.608 -3.254 3.732 1.00 0.87 N ATOM 2122 CA SER B 85 -13.932 -2.722 3.448 1.00 0.93 C ATOM 2123 C SER B 85 -14.397 -3.161 2.060 1.00 0.91 C ATOM 2124 O SER B 85 -15.598 -3.199 1.779 1.00 1.01 O ATOM 2125 CB SER B 85 -13.919 -1.192 3.552 1.00 0.97 C ATOM 2126 OG SER B 85 -15.229 -0.653 3.466 1.00 1.50 O ATOM 0 H SER B 85 -11.866 -2.554 3.731 1.00 0.87 H new ATOM 0 HA SER B 85 -14.633 -3.115 4.184 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.463 -0.894 4.497 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.301 -0.778 2.756 1.00 0.97 H new ATOM 0 HG SER B 85 -15.186 0.323 3.537 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.442 -3.505 1.201 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.752 -3.992 -0.132 1.00 0.95 C ATOM 2134 C ALA B 86 -14.317 -5.402 -0.049 1.00 1.14 C ATOM 2135 O ALA B 86 -13.575 -6.380 0.047 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.515 -3.959 -1.017 1.00 1.09 C ATOM 0 H ALA B 86 -12.445 -3.454 1.409 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.502 -3.340 -0.579 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.769 -4.328 -2.011 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.149 -2.935 -1.092 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.740 -4.591 -0.583 1.00 1.09 H new ATOM 2142 N SER B 87 -15.637 -5.498 -0.068 1.00 1.42 N ATOM 2143 CA SER B 87 -16.314 -6.770 0.103 1.00 1.71 C ATOM 2144 C SER B 87 -16.264 -7.591 -1.181 1.00 1.54 C ATOM 2145 O SER B 87 -17.018 -7.344 -2.124 1.00 1.80 O ATOM 2146 CB SER B 87 -17.758 -6.525 0.528 1.00 2.36 C ATOM 2147 OG SER B 87 -17.805 -5.680 1.668 1.00 3.09 O ATOM 0 H SER B 87 -16.263 -4.704 -0.201 1.00 1.42 H new ATOM 0 HA SER B 87 -15.804 -7.339 0.880 1.00 1.71 H new ATOM 0 HB2 SER B 87 -18.312 -6.069 -0.293 1.00 2.36 H new ATOM 0 HB3 SER B 87 -18.243 -7.475 0.752 1.00 2.36 H new ATOM 0 HG SER B 87 -18.738 -5.531 1.927 1.00 3.09 H new ATOM 2153 N ARG B 88 -15.359 -8.557 -1.213 1.00 1.61 N ATOM 2154 CA ARG B 88 -15.202 -9.420 -2.371 1.00 1.65 C ATOM 2155 C ARG B 88 -15.852 -10.770 -2.125 1.00 1.89 C ATOM 2156 O ARG B 88 -15.666 -11.375 -1.067 1.00 2.39 O ATOM 2157 CB ARG B 88 -13.720 -9.609 -2.699 1.00 2.06 C ATOM 2158 CG ARG B 88 -13.016 -8.324 -3.098 1.00 2.62 C ATOM 2159 CD ARG B 88 -13.616 -7.732 -4.362 1.00 3.31 C ATOM 2160 NE ARG B 88 -13.496 -8.636 -5.506 1.00 4.01 N ATOM 2161 CZ ARG B 88 -14.240 -8.545 -6.610 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -15.158 -7.590 -6.723 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -14.060 -9.409 -7.602 1.00 5.55 N ATOM 0 H ARG B 88 -14.720 -8.763 -0.445 1.00 1.61 H new ATOM 0 HA ARG B 88 -15.695 -8.944 -3.219 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -13.216 -10.035 -1.831 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -13.625 -10.332 -3.509 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -13.088 -7.601 -2.286 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -11.956 -8.522 -3.255 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -14.668 -7.503 -4.190 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -13.118 -6.790 -4.592 1.00 3.31 H new ATOM 0 HE ARG B 88 -12.801 -9.381 -5.457 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -15.296 -6.923 -5.964 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -15.724 -7.524 -7.569 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -13.354 -10.141 -7.519 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -14.628 -9.341 -8.447 1.00 5.55 H new ATOM 2177 N VAL B 89 -16.627 -11.227 -3.094 1.00 2.00 N ATOM 2178 CA VAL B 89 -17.254 -12.535 -3.018 1.00 2.42 C ATOM 2179 C VAL B 89 -16.279 -13.606 -3.497 1.00 2.25 C ATOM 2180 O VAL B 89 -15.734 -13.502 -4.599 1.00 2.29 O ATOM 2181 CB VAL B 89 -18.543 -12.593 -3.869 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -19.193 -13.968 -3.782 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -19.521 -11.512 -3.435 1.00 3.55 C ATOM 0 H VAL B 89 -16.838 -10.708 -3.947 1.00 2.00 H new ATOM 0 HA VAL B 89 -17.523 -12.718 -1.978 1.00 2.42 H new ATOM 0 HB VAL B 89 -18.269 -12.413 -4.908 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -20.098 -13.982 -4.390 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -18.498 -14.723 -4.149 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -19.449 -14.184 -2.745 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -20.422 -11.570 -4.046 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -19.783 -11.658 -2.387 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -19.060 -10.532 -3.560 1.00 3.55 H new ATOM 2187 N PRO B 90 -16.016 -14.631 -2.668 1.00 2.60 N ATOM 2188 CA PRO B 90 -15.138 -15.747 -3.037 1.00 2.83 C ATOM 2189 C PRO B 90 -15.764 -16.646 -4.099 1.00 2.80 C ATOM 2190 O PRO B 90 -16.154 -17.782 -3.822 1.00 3.31 O ATOM 2191 CB PRO B 90 -14.944 -16.523 -1.725 1.00 3.67 C ATOM 2192 CG PRO B 90 -15.490 -15.644 -0.650 1.00 3.95 C ATOM 2193 CD PRO B 90 -16.530 -14.781 -1.300 1.00 3.28 C ATOM 0 HA PRO B 90 -14.203 -15.393 -3.471 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -15.469 -17.478 -1.754 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -13.890 -16.743 -1.553 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -15.925 -16.238 0.154 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -14.701 -15.036 -0.207 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -17.513 -15.252 -1.286 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -16.630 -13.819 -0.797 1.00 3.28 H new ATOM 2201 N GLU B 91 -15.865 -16.122 -5.311 1.00 2.59 N ATOM 2202 CA GLU B 91 -16.435 -16.858 -6.431 1.00 2.75 C ATOM 2203 C GLU B 91 -15.505 -17.986 -6.860 1.00 2.55 C ATOM 2204 O GLU B 91 -14.285 -17.890 -6.716 1.00 2.94 O ATOM 2205 CB GLU B 91 -16.701 -15.912 -7.606 1.00 3.30 C ATOM 2206 CG GLU B 91 -15.458 -15.195 -8.112 1.00 3.94 C ATOM 2207 CD GLU B 91 -15.748 -14.278 -9.280 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -15.743 -14.754 -10.434 1.00 5.08 O ATOM 2209 OE2 GLU B 91 -15.984 -13.074 -9.054 1.00 5.01 O ATOM 0 H GLU B 91 -15.556 -15.179 -5.546 1.00 2.59 H new ATOM 0 HA GLU B 91 -17.381 -17.295 -6.112 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -17.140 -16.481 -8.426 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -17.439 -15.169 -7.302 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -15.022 -14.614 -7.299 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -14.714 -15.933 -8.411 1.00 3.94 H new ATOM 2216 N SER B 92 -16.084 -19.059 -7.371 1.00 2.56 N ATOM 2217 CA SER B 92 -15.314 -20.210 -7.809 1.00 2.76 C ATOM 2218 C SER B 92 -16.073 -20.968 -8.891 1.00 2.95 C ATOM 2219 O SER B 92 -17.062 -21.650 -8.560 1.00 3.07 O ATOM 2220 CB SER B 92 -15.008 -21.132 -6.627 1.00 3.61 C ATOM 2221 OG SER B 92 -14.242 -20.458 -5.641 1.00 4.13 O ATOM 2222 OXT SER B 92 -15.678 -20.871 -10.072 1.00 3.54 O ATOM 0 H SER B 92 -17.092 -19.157 -7.493 1.00 2.56 H new ATOM 0 HA SER B 92 -14.369 -19.859 -8.224 1.00 2.76 H new ATOM 0 HB2 SER B 92 -15.940 -21.488 -6.188 1.00 3.61 H new ATOM 0 HB3 SER B 92 -14.465 -22.010 -6.977 1.00 3.61 H new ATOM 0 HG SER B 92 -14.060 -21.067 -4.895 1.00 4.13 H new TER 2228 SER B 92