USER MOD reduce.3.24.130724 H: found=0, std=0, add=1260, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1257 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 48 LYS NZ :NH3+ -158:sc= 1.09 (180deg=0.782) USER MOD Set 1.2: B 59 TYR OH : rot 59:sc= 2.19 USER MOD Set 2.1: B 7 THR OG1 : rot 180:sc= 0.101 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.114 USER MOD Set 3.1: B 6 LYS NZ :NH3+ -178:sc= 1.1 (180deg=-0.169) USER MOD Set 3.2: B 12 THR OG1 : rot 121:sc= 0.0694 USER MOD Set 4.1: A 60 ASN : amide:sc= 0.0759 K(o=0.39,f=-1.7) USER MOD Set 4.2: A 62 GLN : amide:sc= 0.315 K(o=0.39,f=-0.73) USER MOD Set 5.1: A 7 THR OG1 : rot 127:sc= 1.53 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00203 (180deg=-0.00203) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.97 (180deg=1.66) USER MOD Single : A 2 GLN : amide:sc= 1.14 K(o=1.1,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.28 (180deg=1.08) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 143:sc= 1.18 USER MOD Single : A 25 ASN : amide:sc= 0.93 K(o=0.93,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 2.03 (180deg=1) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.563 (180deg=0.49) USER MOD Single : A 31 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= 0.368 (180deg=-0.308) USER MOD Single : A 40 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.17) USER MOD Single : A 41 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 49 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.4!) USER MOD Single : A 55 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 57 SER OG : rot -90:sc= 0.393 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.558 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -119:sc= 0.773 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.01 K(o=1,f=-4!) USER MOD Single : B 1 MET CE :methyl -171:sc= -0.505 (180deg=-0.709) USER MOD Single : B 1 MET N :NH3+ 170:sc= 2.16 (180deg=2.06) USER MOD Single : B 2 GLN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 146:sc= 1.21 (180deg=1.03) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : B 25 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.1) USER MOD Single : B 27 LYS NZ :NH3+ -160:sc= 2.55 (180deg=1.69) USER MOD Single : B 29 LYS NZ :NH3+ 172:sc= 2.16 (180deg=2.13) USER MOD Single : B 31 GLN : amide:sc= -0.645 K(o=-0.65,f=-1.2) USER MOD Single : B 33 LYS NZ :NH3+ -161:sc= 0.0611 (180deg=0.0313) USER MOD Single : B 40 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.4!) USER MOD Single : B 41 GLN : amide:sc= -1.3! C(o=-1.3!,f=-5.7!) USER MOD Single : B 49 GLN : amide:sc= 1.02 K(o=1,f=-7!) USER MOD Single : B 55 THR OG1 : rot 180:sc= -0.92 USER MOD Single : B 57 SER OG : rot -101:sc= 1.07 USER MOD Single : B 60 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.2) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.04) USER MOD Single : B 65 SER OG : rot 84:sc= 1.12 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.414 23.128 7.738 1.00 0.86 N ATOM 2 CA MET A 1 -3.732 22.451 7.749 1.00 0.85 C ATOM 3 C MET A 1 -3.610 21.056 8.349 1.00 0.82 C ATOM 4 O MET A 1 -2.605 20.370 8.157 1.00 0.77 O ATOM 5 CB MET A 1 -4.322 22.370 6.335 1.00 0.81 C ATOM 6 CG MET A 1 -3.558 21.462 5.383 1.00 0.73 C ATOM 7 SD MET A 1 -4.306 21.403 3.743 1.00 0.79 S ATOM 8 CE MET A 1 -3.283 20.173 2.940 1.00 0.71 C ATOM 0 H1 MET A 1 -2.486 24.019 7.206 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.120 23.331 8.715 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.710 22.510 7.286 1.00 0.86 H new ATOM 0 HA MET A 1 -4.408 23.042 8.367 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.351 22.019 6.404 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.356 23.374 5.911 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.529 21.812 5.298 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.519 20.455 5.798 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.625 20.028 1.915 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.247 20.511 2.932 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.353 19.230 3.483 1.00 0.71 H new ATOM 20 N GLN A 2 -4.635 20.652 9.083 1.00 0.85 N ATOM 21 CA GLN A 2 -4.655 19.349 9.732 1.00 0.84 C ATOM 22 C GLN A 2 -5.155 18.265 8.782 1.00 0.75 C ATOM 23 O GLN A 2 -6.012 18.518 7.932 1.00 0.76 O ATOM 24 CB GLN A 2 -5.543 19.423 10.981 1.00 0.95 C ATOM 25 CG GLN A 2 -5.981 18.074 11.529 1.00 1.04 C ATOM 26 CD GLN A 2 -6.866 18.204 12.752 1.00 1.15 C ATOM 27 OE1 GLN A 2 -6.402 18.100 13.886 1.00 1.32 O ATOM 28 NE2 GLN A 2 -8.146 18.455 12.532 1.00 1.48 N ATOM 0 H GLN A 2 -5.471 21.213 9.245 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.638 19.084 10.022 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -5.004 19.960 11.762 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.431 20.010 10.745 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -6.517 17.527 10.753 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -5.100 17.485 11.783 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -8.493 18.534 11.576 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -8.786 18.569 13.318 1.00 1.48 H new ATOM 37 N ILE A 3 -4.615 17.062 8.940 1.00 0.67 N ATOM 38 CA ILE A 3 -4.999 15.915 8.128 1.00 0.59 C ATOM 39 C ILE A 3 -5.097 14.682 9.017 1.00 0.56 C ATOM 40 O ILE A 3 -4.471 14.631 10.080 1.00 0.59 O ATOM 41 CB ILE A 3 -3.997 15.633 6.981 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.566 15.526 7.522 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.091 16.707 5.904 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.589 14.934 6.529 1.00 0.44 C ATOM 0 H ILE A 3 -3.898 16.855 9.635 1.00 0.67 H new ATOM 0 HA ILE A 3 -5.962 16.147 7.672 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.260 14.677 6.529 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.221 16.518 7.813 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.572 14.914 8.424 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.378 16.488 5.109 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.100 16.722 5.493 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -3.862 17.680 6.339 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.597 14.888 6.978 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -1.911 13.929 6.257 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.555 15.558 5.636 1.00 0.44 H new ATOM 56 N PHE A 4 -5.874 13.698 8.596 1.00 0.54 N ATOM 57 CA PHE A 4 -6.041 12.481 9.375 1.00 0.55 C ATOM 58 C PHE A 4 -5.509 11.280 8.614 1.00 0.53 C ATOM 59 O PHE A 4 -6.155 10.780 7.692 1.00 0.56 O ATOM 60 CB PHE A 4 -7.515 12.259 9.720 1.00 0.59 C ATOM 61 CG PHE A 4 -8.057 13.234 10.725 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.517 13.307 12.000 1.00 0.79 C ATOM 63 CD2 PHE A 4 -9.109 14.072 10.398 1.00 0.96 C ATOM 64 CE1 PHE A 4 -8.019 14.198 12.928 1.00 0.98 C ATOM 65 CE2 PHE A 4 -9.614 14.966 11.321 1.00 1.11 C ATOM 66 CZ PHE A 4 -9.069 15.028 12.588 1.00 1.08 C ATOM 0 H PHE A 4 -6.398 13.717 7.721 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.474 12.594 10.299 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -8.106 12.327 8.807 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.640 11.247 10.106 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -6.695 12.660 12.270 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -9.540 14.026 9.409 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -7.591 14.246 13.918 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -10.434 15.616 11.052 1.00 1.11 H new ATOM 0 HZ PHE A 4 -9.463 15.725 13.313 1.00 1.08 H new ATOM 76 N VAL A 5 -4.330 10.814 8.990 1.00 0.53 N ATOM 77 CA VAL A 5 -3.735 9.665 8.336 1.00 0.54 C ATOM 78 C VAL A 5 -4.018 8.409 9.153 1.00 0.57 C ATOM 79 O VAL A 5 -3.336 8.133 10.141 1.00 0.62 O ATOM 80 CB VAL A 5 -2.209 9.840 8.169 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.621 8.718 7.328 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.886 11.194 7.552 1.00 0.49 C ATOM 0 H VAL A 5 -3.769 11.213 9.742 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.177 9.572 7.344 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.756 9.796 9.159 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.546 8.865 7.226 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.812 7.761 7.814 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -2.083 8.723 6.341 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.806 11.296 7.443 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.358 11.269 6.572 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.262 11.987 8.198 1.00 0.49 H new ATOM 92 N LYS A 6 -5.050 7.673 8.768 1.00 0.58 N ATOM 93 CA LYS A 6 -5.418 6.454 9.467 1.00 0.61 C ATOM 94 C LYS A 6 -4.716 5.257 8.845 1.00 0.57 C ATOM 95 O LYS A 6 -4.926 4.933 7.673 1.00 0.56 O ATOM 96 CB LYS A 6 -6.937 6.258 9.430 1.00 0.68 C ATOM 97 CG LYS A 6 -7.703 7.279 10.256 1.00 0.70 C ATOM 98 CD LYS A 6 -9.202 7.182 10.016 1.00 0.83 C ATOM 99 CE LYS A 6 -9.977 8.118 10.933 1.00 1.43 C ATOM 100 NZ LYS A 6 -11.416 8.200 10.562 1.00 1.82 N ATOM 0 H LYS A 6 -5.648 7.901 7.973 1.00 0.58 H new ATOM 0 HA LYS A 6 -5.103 6.540 10.507 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -7.277 6.311 8.396 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -7.175 5.258 9.792 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -7.493 7.124 11.314 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -7.358 8.282 10.006 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.421 7.426 8.976 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -9.532 6.156 10.179 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -9.888 7.772 11.963 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -9.535 9.114 10.892 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -11.906 8.848 11.212 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -11.504 8.555 9.588 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -11.845 7.255 10.626 1.00 1.82 H new ATOM 114 N THR A 7 -3.883 4.604 9.634 1.00 0.59 N ATOM 115 CA THR A 7 -3.138 3.450 9.174 1.00 0.58 C ATOM 116 C THR A 7 -4.037 2.222 9.121 1.00 0.61 C ATOM 117 O THR A 7 -5.118 2.207 9.713 1.00 0.67 O ATOM 118 CB THR A 7 -1.949 3.155 10.105 1.00 0.60 C ATOM 119 OG1 THR A 7 -2.424 2.732 11.387 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.064 4.378 10.274 1.00 0.94 C ATOM 0 H THR A 7 -3.705 4.858 10.606 1.00 0.59 H new ATOM 0 HA THR A 7 -2.765 3.677 8.175 1.00 0.58 H new ATOM 0 HB THR A 7 -1.358 2.361 9.650 1.00 0.60 H new ATOM 0 HG1 THR A 7 -1.999 1.883 11.629 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.233 4.137 10.937 1.00 0.94 H new ATOM 0 HG22 THR A 7 -0.676 4.683 9.302 1.00 0.94 H new ATOM 0 HG23 THR A 7 -1.647 5.192 10.704 1.00 0.94 H new ATOM 128 N LEU A 8 -3.595 1.191 8.417 1.00 0.63 N ATOM 129 CA LEU A 8 -4.369 -0.037 8.330 1.00 0.69 C ATOM 130 C LEU A 8 -4.118 -0.895 9.569 1.00 0.72 C ATOM 131 O LEU A 8 -4.721 -1.952 9.744 1.00 0.82 O ATOM 132 CB LEU A 8 -4.040 -0.807 7.049 1.00 0.78 C ATOM 133 CG LEU A 8 -5.111 -0.728 5.952 1.00 0.95 C ATOM 134 CD1 LEU A 8 -5.273 0.700 5.455 1.00 1.58 C ATOM 135 CD2 LEU A 8 -4.766 -1.657 4.797 1.00 1.89 C ATOM 0 H LEU A 8 -2.714 1.179 7.903 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.428 0.219 8.291 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -3.100 -0.428 6.647 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.879 -1.854 7.304 1.00 0.78 H new ATOM 0 HG LEU A 8 -6.059 -1.049 6.382 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -6.037 0.730 4.678 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -5.572 1.342 6.284 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -4.326 1.053 5.046 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -5.537 -1.586 4.030 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -3.805 -1.368 4.372 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -4.709 -2.683 5.160 1.00 1.89 H new ATOM 147 N THR A 9 -3.209 -0.427 10.423 1.00 0.67 N ATOM 148 CA THR A 9 -2.894 -1.117 11.662 1.00 0.72 C ATOM 149 C THR A 9 -3.938 -0.772 12.722 1.00 0.79 C ATOM 150 O THR A 9 -4.082 -1.471 13.727 1.00 0.93 O ATOM 151 CB THR A 9 -1.492 -0.737 12.178 1.00 0.67 C ATOM 152 OG1 THR A 9 -1.025 0.446 11.514 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.505 -1.874 11.956 1.00 0.80 C ATOM 0 H THR A 9 -2.678 0.431 10.274 1.00 0.67 H new ATOM 0 HA THR A 9 -2.904 -2.189 11.463 1.00 0.72 H new ATOM 0 HB THR A 9 -1.565 -0.545 13.248 1.00 0.67 H new ATOM 0 HG1 THR A 9 -0.135 0.680 11.850 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.477 -1.581 12.328 1.00 0.80 H new ATOM 0 HG22 THR A 9 -0.846 -2.761 12.490 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.438 -2.095 10.891 1.00 0.80 H new ATOM 161 N GLY A 10 -4.663 0.321 12.487 1.00 0.77 N ATOM 162 CA GLY A 10 -5.704 0.736 13.406 1.00 0.89 C ATOM 163 C GLY A 10 -5.352 1.965 14.225 1.00 0.91 C ATOM 164 O GLY A 10 -5.872 2.138 15.327 1.00 1.31 O ATOM 0 H GLY A 10 -4.545 0.925 11.674 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.614 0.937 12.841 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.926 -0.088 14.084 1.00 0.89 H new ATOM 168 N LYS A 11 -4.492 2.831 13.704 1.00 0.91 N ATOM 169 CA LYS A 11 -4.113 4.036 14.436 1.00 0.92 C ATOM 170 C LYS A 11 -4.244 5.267 13.544 1.00 0.82 C ATOM 171 O LYS A 11 -4.218 5.158 12.318 1.00 0.78 O ATOM 172 CB LYS A 11 -2.688 3.912 14.998 1.00 0.92 C ATOM 173 CG LYS A 11 -1.589 4.374 14.050 1.00 1.03 C ATOM 174 CD LYS A 11 -0.756 5.488 14.669 1.00 1.32 C ATOM 175 CE LYS A 11 -0.009 5.004 15.902 1.00 1.41 C ATOM 176 NZ LYS A 11 0.549 6.128 16.693 1.00 1.51 N ATOM 0 H LYS A 11 -4.049 2.726 12.791 1.00 0.91 H new ATOM 0 HA LYS A 11 -4.794 4.152 15.279 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -2.623 4.492 15.918 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -2.506 2.871 15.264 1.00 0.92 H new ATOM 0 HG2 LYS A 11 -0.944 3.532 13.799 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -2.033 4.724 13.118 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -0.044 5.863 13.934 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -1.404 6.322 14.939 1.00 1.32 H new ATOM 0 HE2 LYS A 11 -0.684 4.420 16.528 1.00 1.41 H new ATOM 0 HE3 LYS A 11 0.799 4.339 15.598 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 0.570 5.868 17.700 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.515 6.334 16.369 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 -0.046 6.971 16.566 1.00 1.51 H new ATOM 190 N THR A 12 -4.393 6.430 14.161 1.00 0.80 N ATOM 191 CA THR A 12 -4.538 7.675 13.424 1.00 0.74 C ATOM 192 C THR A 12 -3.433 8.664 13.790 1.00 0.75 C ATOM 193 O THR A 12 -3.076 8.810 14.958 1.00 0.79 O ATOM 194 CB THR A 12 -5.912 8.323 13.699 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.951 7.345 13.546 1.00 0.74 O ATOM 196 CG2 THR A 12 -6.170 9.488 12.752 1.00 0.70 C ATOM 0 H THR A 12 -4.417 6.537 15.175 1.00 0.80 H new ATOM 0 HA THR A 12 -4.461 7.433 12.364 1.00 0.74 H new ATOM 0 HB THR A 12 -5.908 8.702 14.721 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.820 7.761 13.723 1.00 0.74 H new ATOM 0 HG21 THR A 12 -7.145 9.925 12.969 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.396 10.244 12.886 1.00 0.70 H new ATOM 0 HG23 THR A 12 -6.154 9.130 11.722 1.00 0.70 H new ATOM 204 N ILE A 13 -2.899 9.341 12.782 1.00 0.77 N ATOM 205 CA ILE A 13 -1.847 10.322 12.988 1.00 0.85 C ATOM 206 C ILE A 13 -2.360 11.703 12.591 1.00 0.75 C ATOM 207 O ILE A 13 -3.046 11.844 11.576 1.00 0.68 O ATOM 208 CB ILE A 13 -0.582 9.984 12.164 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.213 8.506 12.332 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.583 10.875 12.586 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.926 8.058 11.443 1.00 1.24 C ATOM 0 H ILE A 13 -3.181 9.226 11.808 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.573 10.309 14.043 1.00 0.85 H new ATOM 0 HB ILE A 13 -0.796 10.170 11.111 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.057 8.324 13.372 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -1.090 7.895 12.119 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.465 10.624 11.997 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.321 11.920 12.420 1.00 1.31 H new ATOM 0 HG23 ILE A 13 0.797 10.718 13.643 1.00 1.31 H new ATOM 0 HD11 ILE A 13 1.130 7.002 11.618 1.00 1.24 H new ATOM 0 HD12 ILE A 13 0.652 8.207 10.398 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.817 8.642 11.671 1.00 1.24 H new ATOM 223 N THR A 14 -2.044 12.712 13.388 1.00 0.80 N ATOM 224 CA THR A 14 -2.484 14.069 13.108 1.00 0.79 C ATOM 225 C THR A 14 -1.295 14.951 12.749 1.00 0.78 C ATOM 226 O THR A 14 -0.436 15.219 13.590 1.00 0.84 O ATOM 227 CB THR A 14 -3.210 14.679 14.318 1.00 0.91 C ATOM 228 OG1 THR A 14 -3.586 13.644 15.240 1.00 1.31 O ATOM 229 CG2 THR A 14 -4.449 15.440 13.878 1.00 1.07 C ATOM 0 H THR A 14 -1.484 12.616 14.235 1.00 0.80 H new ATOM 0 HA THR A 14 -3.175 14.021 12.266 1.00 0.79 H new ATOM 0 HB THR A 14 -2.528 15.374 14.808 1.00 0.91 H new ATOM 0 HG1 THR A 14 -4.046 14.042 16.008 1.00 1.31 H new ATOM 0 HG21 THR A 14 -4.946 15.862 14.751 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.161 16.244 13.200 1.00 1.07 H new ATOM 0 HG23 THR A 14 -5.131 14.761 13.366 1.00 1.07 H new ATOM 237 N LEU A 15 -1.227 15.370 11.496 1.00 0.73 N ATOM 238 CA LEU A 15 -0.134 16.215 11.044 1.00 0.75 C ATOM 239 C LEU A 15 -0.637 17.570 10.569 1.00 0.77 C ATOM 240 O LEU A 15 -1.728 17.680 10.006 1.00 0.77 O ATOM 241 CB LEU A 15 0.632 15.536 9.906 1.00 0.73 C ATOM 242 CG LEU A 15 1.124 14.118 10.193 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.608 13.461 8.913 1.00 0.78 C ATOM 244 CD2 LEU A 15 2.232 14.132 11.236 1.00 0.91 C ATOM 0 H LEU A 15 -1.912 15.140 10.777 1.00 0.73 H new ATOM 0 HA LEU A 15 0.531 16.368 11.894 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -0.011 15.507 9.026 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.492 16.155 9.652 1.00 0.73 H new ATOM 0 HG LEU A 15 0.291 13.538 10.590 1.00 0.73 H new ATOM 0 HD11 LEU A 15 1.956 12.451 9.131 1.00 0.78 H new ATOM 0 HD12 LEU A 15 0.789 13.415 8.195 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.427 14.044 8.492 1.00 0.78 H new ATOM 0 HD21 LEU A 15 2.567 13.112 11.425 1.00 0.91 H new ATOM 0 HD22 LEU A 15 3.069 14.727 10.870 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.855 14.567 12.162 1.00 0.91 H new ATOM 256 N GLU A 16 0.165 18.596 10.809 1.00 0.80 N ATOM 257 CA GLU A 16 -0.158 19.948 10.384 1.00 0.83 C ATOM 258 C GLU A 16 0.677 20.286 9.158 1.00 0.78 C ATOM 259 O GLU A 16 1.679 20.998 9.241 1.00 0.84 O ATOM 260 CB GLU A 16 0.108 20.951 11.509 1.00 0.95 C ATOM 261 CG GLU A 16 -1.140 21.667 12.008 1.00 1.01 C ATOM 262 CD GLU A 16 -1.773 22.560 10.959 1.00 1.06 C ATOM 263 OE1 GLU A 16 -1.037 23.209 10.184 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.017 22.633 10.909 1.00 1.17 O ATOM 0 H GLU A 16 1.054 18.515 11.302 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.218 20.007 10.135 1.00 0.83 H new ATOM 0 HB2 GLU A 16 0.574 20.429 12.345 1.00 0.95 H new ATOM 0 HB3 GLU A 16 0.825 21.694 11.158 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.870 20.927 12.335 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -0.883 22.268 12.880 1.00 1.01 H new ATOM 271 N VAL A 17 0.267 19.743 8.026 1.00 0.70 N ATOM 272 CA VAL A 17 0.975 19.944 6.771 1.00 0.68 C ATOM 273 C VAL A 17 0.555 21.231 6.073 1.00 0.72 C ATOM 274 O VAL A 17 -0.408 21.886 6.473 1.00 0.76 O ATOM 275 CB VAL A 17 0.744 18.760 5.812 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.372 17.491 6.366 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.742 18.557 5.560 1.00 0.58 C ATOM 0 H VAL A 17 -0.561 19.153 7.949 1.00 0.70 H new ATOM 0 HA VAL A 17 2.033 20.015 7.024 1.00 0.68 H new ATOM 0 HB VAL A 17 1.224 18.991 4.861 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.198 16.667 5.674 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.445 17.640 6.490 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.924 17.255 7.331 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -0.884 17.717 4.881 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.246 18.350 6.504 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.162 19.459 5.115 1.00 0.58 H new ATOM 287 N GLU A 18 1.285 21.578 5.027 1.00 0.73 N ATOM 288 CA GLU A 18 1.003 22.774 4.249 1.00 0.78 C ATOM 289 C GLU A 18 0.327 22.373 2.944 1.00 0.76 C ATOM 290 O GLU A 18 0.523 21.257 2.471 1.00 0.72 O ATOM 291 CB GLU A 18 2.298 23.530 3.943 1.00 0.86 C ATOM 292 CG GLU A 18 3.127 23.858 5.172 1.00 0.94 C ATOM 293 CD GLU A 18 4.389 24.621 4.830 1.00 1.06 C ATOM 294 OE1 GLU A 18 4.285 25.786 4.397 1.00 1.18 O ATOM 295 OE2 GLU A 18 5.493 24.058 4.989 1.00 1.25 O ATOM 0 H GLU A 18 2.086 21.042 4.694 1.00 0.73 H new ATOM 0 HA GLU A 18 0.346 23.426 4.824 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.902 22.934 3.259 1.00 0.86 H new ATOM 0 HB3 GLU A 18 2.052 24.457 3.425 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.526 24.447 5.865 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.392 22.934 5.685 1.00 0.94 H new ATOM 302 N PRO A 19 -0.479 23.256 2.340 1.00 0.80 N ATOM 303 CA PRO A 19 -1.155 22.953 1.074 1.00 0.82 C ATOM 304 C PRO A 19 -0.163 22.579 -0.030 1.00 0.86 C ATOM 305 O PRO A 19 -0.436 21.711 -0.859 1.00 0.87 O ATOM 306 CB PRO A 19 -1.875 24.258 0.729 1.00 0.87 C ATOM 307 CG PRO A 19 -2.032 24.963 2.030 1.00 0.91 C ATOM 308 CD PRO A 19 -0.819 24.602 2.839 1.00 0.88 C ATOM 0 HA PRO A 19 -1.825 22.098 1.162 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.296 24.854 0.024 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -2.842 24.065 0.265 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.099 26.041 1.885 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -2.946 24.652 2.536 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.004 25.309 2.683 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.034 24.594 3.908 1.00 0.88 H new ATOM 316 N SER A 20 0.992 23.233 -0.024 1.00 0.92 N ATOM 317 CA SER A 20 2.024 22.982 -1.022 1.00 1.00 C ATOM 318 C SER A 20 3.085 22.005 -0.505 1.00 0.92 C ATOM 319 O SER A 20 4.190 21.937 -1.044 1.00 0.94 O ATOM 320 CB SER A 20 2.678 24.308 -1.418 1.00 1.18 C ATOM 321 OG SER A 20 1.700 25.328 -1.571 1.00 1.24 O ATOM 0 H SER A 20 1.238 23.944 0.664 1.00 0.92 H new ATOM 0 HA SER A 20 1.554 22.525 -1.893 1.00 1.00 H new ATOM 0 HB2 SER A 20 3.402 24.603 -0.658 1.00 1.18 H new ATOM 0 HB3 SER A 20 3.228 24.183 -2.351 1.00 1.18 H new ATOM 0 HG SER A 20 2.139 26.167 -1.822 1.00 1.24 H new ATOM 327 N ASP A 21 2.750 21.252 0.536 1.00 0.85 N ATOM 328 CA ASP A 21 3.688 20.288 1.109 1.00 0.80 C ATOM 329 C ASP A 21 3.758 19.015 0.269 1.00 0.75 C ATOM 330 O ASP A 21 2.732 18.411 -0.058 1.00 0.73 O ATOM 331 CB ASP A 21 3.298 19.940 2.548 1.00 0.75 C ATOM 332 CG ASP A 21 4.478 19.462 3.368 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.563 20.064 3.254 1.00 0.82 O ATOM 334 OD2 ASP A 21 4.319 18.505 4.152 1.00 0.69 O ATOM 0 H ASP A 21 1.842 21.288 1.000 1.00 0.85 H new ATOM 0 HA ASP A 21 4.674 20.754 1.112 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.860 20.817 3.025 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.530 19.166 2.536 1.00 0.75 H new ATOM 339 N THR A 22 4.972 18.638 -0.101 1.00 0.76 N ATOM 340 CA THR A 22 5.199 17.434 -0.887 1.00 0.74 C ATOM 341 C THR A 22 4.948 16.182 -0.049 1.00 0.67 C ATOM 342 O THR A 22 5.142 16.194 1.167 1.00 0.65 O ATOM 343 CB THR A 22 6.634 17.397 -1.443 1.00 0.80 C ATOM 344 OG1 THR A 22 7.537 18.001 -0.507 1.00 0.85 O ATOM 345 CG2 THR A 22 6.715 18.124 -2.777 1.00 1.02 C ATOM 0 H THR A 22 5.821 19.152 0.132 1.00 0.76 H new ATOM 0 HA THR A 22 4.497 17.453 -1.721 1.00 0.74 H new ATOM 0 HB THR A 22 6.915 16.355 -1.598 1.00 0.80 H new ATOM 0 HG1 THR A 22 8.387 17.514 -0.512 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.738 18.085 -3.151 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.048 17.645 -3.494 1.00 1.02 H new ATOM 0 HG23 THR A 22 6.417 19.164 -2.643 1.00 1.02 H new ATOM 353 N ILE A 23 4.537 15.106 -0.709 1.00 0.65 N ATOM 354 CA ILE A 23 4.249 13.840 -0.037 1.00 0.59 C ATOM 355 C ILE A 23 5.455 13.360 0.773 1.00 0.58 C ATOM 356 O ILE A 23 5.307 12.853 1.886 1.00 0.54 O ATOM 357 CB ILE A 23 3.834 12.748 -1.053 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.594 13.190 -1.843 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.575 11.421 -0.352 1.00 0.55 C ATOM 360 CD1 ILE A 23 1.395 13.523 -0.978 1.00 0.63 C ATOM 0 H ILE A 23 4.394 15.083 -1.719 1.00 0.65 H new ATOM 0 HA ILE A 23 3.417 14.018 0.644 1.00 0.59 H new ATOM 0 HB ILE A 23 4.658 12.606 -1.752 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.850 14.064 -2.442 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.318 12.397 -2.538 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.285 10.671 -1.088 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.481 11.096 0.159 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.773 11.544 0.376 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.562 13.826 -1.612 1.00 0.63 H new ATOM 0 HD12 ILE A 23 1.109 12.645 -0.398 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.650 14.338 -0.300 1.00 0.63 H new ATOM 372 N GLU A 24 6.647 13.542 0.218 1.00 0.64 N ATOM 373 CA GLU A 24 7.871 13.136 0.893 1.00 0.67 C ATOM 374 C GLU A 24 8.076 13.949 2.174 1.00 0.65 C ATOM 375 O GLU A 24 8.538 13.421 3.186 1.00 0.65 O ATOM 376 CB GLU A 24 9.068 13.275 -0.060 1.00 0.78 C ATOM 377 CG GLU A 24 10.236 14.078 0.494 1.00 0.94 C ATOM 378 CD GLU A 24 10.344 15.451 -0.138 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.441 16.286 0.074 1.00 2.11 O ATOM 380 OE2 GLU A 24 11.339 15.703 -0.851 1.00 2.16 O ATOM 0 H GLU A 24 6.791 13.968 -0.698 1.00 0.64 H new ATOM 0 HA GLU A 24 7.787 12.088 1.181 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.423 12.278 -0.323 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.727 13.745 -0.982 1.00 0.78 H new ATOM 0 HG2 GLU A 24 10.120 14.185 1.573 1.00 0.94 H new ATOM 0 HG3 GLU A 24 11.163 13.530 0.326 1.00 0.94 H new ATOM 387 N ASN A 25 7.700 15.224 2.135 1.00 0.66 N ATOM 388 CA ASN A 25 7.843 16.096 3.296 1.00 0.68 C ATOM 389 C ASN A 25 6.790 15.749 4.338 1.00 0.62 C ATOM 390 O ASN A 25 7.003 15.931 5.539 1.00 0.65 O ATOM 391 CB ASN A 25 7.736 17.568 2.903 1.00 0.72 C ATOM 392 CG ASN A 25 8.522 18.462 3.843 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.572 18.072 4.357 1.00 0.86 O ATOM 394 ND2 ASN A 25 8.015 19.659 4.088 1.00 0.83 N ATOM 0 H ASN A 25 7.295 15.675 1.315 1.00 0.66 H new ATOM 0 HA ASN A 25 8.834 15.937 3.720 1.00 0.68 H new ATOM 0 HB2 ASN A 25 8.103 17.700 1.885 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.689 17.870 2.906 1.00 0.72 H new ATOM 0 HD21 ASN A 25 8.496 20.296 4.723 1.00 0.83 H new ATOM 0 HD22 ASN A 25 7.143 19.944 3.642 1.00 0.83 H new ATOM 401 N VAL A 26 5.644 15.263 3.871 1.00 0.55 N ATOM 402 CA VAL A 26 4.573 14.841 4.761 1.00 0.51 C ATOM 403 C VAL A 26 5.049 13.630 5.546 1.00 0.50 C ATOM 404 O VAL A 26 4.888 13.548 6.766 1.00 0.51 O ATOM 405 CB VAL A 26 3.290 14.477 3.977 1.00 0.49 C ATOM 406 CG1 VAL A 26 2.211 13.945 4.908 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.778 15.677 3.200 1.00 0.50 C ATOM 0 H VAL A 26 5.435 15.152 2.879 1.00 0.55 H new ATOM 0 HA VAL A 26 4.329 15.666 5.430 1.00 0.51 H new ATOM 0 HB VAL A 26 3.543 13.688 3.269 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.321 13.697 4.330 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.575 13.051 5.414 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.962 14.705 5.649 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.875 15.400 2.656 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.550 16.488 3.892 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.541 16.006 2.494 1.00 0.50 H new ATOM 417 N LYS A 27 5.667 12.703 4.821 1.00 0.50 N ATOM 418 CA LYS A 27 6.211 11.495 5.415 1.00 0.50 C ATOM 419 C LYS A 27 7.325 11.854 6.390 1.00 0.55 C ATOM 420 O LYS A 27 7.460 11.244 7.454 1.00 0.55 O ATOM 421 CB LYS A 27 6.766 10.580 4.329 1.00 0.52 C ATOM 422 CG LYS A 27 5.712 9.949 3.436 1.00 0.52 C ATOM 423 CD LYS A 27 6.356 9.058 2.386 1.00 0.69 C ATOM 424 CE LYS A 27 5.340 8.161 1.699 1.00 1.00 C ATOM 425 NZ LYS A 27 6.001 7.144 0.842 1.00 1.16 N ATOM 0 H LYS A 27 5.802 12.770 3.812 1.00 0.50 H new ATOM 0 HA LYS A 27 5.413 10.977 5.948 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.455 11.152 3.708 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.346 9.787 4.801 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.020 9.364 4.041 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.128 10.729 2.948 1.00 0.52 H new ATOM 0 HD2 LYS A 27 6.854 9.678 1.641 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.124 8.443 2.854 1.00 0.69 H new ATOM 0 HE2 LYS A 27 4.727 7.662 2.450 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.669 8.769 1.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 5.402 6.944 0.016 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 6.922 7.505 0.522 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 6.142 6.270 1.387 1.00 1.16 H new ATOM 439 N ALA A 28 8.120 12.848 6.000 1.00 0.62 N ATOM 440 CA ALA A 28 9.226 13.334 6.818 1.00 0.69 C ATOM 441 C ALA A 28 8.726 13.798 8.181 1.00 0.71 C ATOM 442 O ALA A 28 9.408 13.628 9.191 1.00 0.76 O ATOM 443 CB ALA A 28 9.961 14.462 6.110 1.00 0.76 C ATOM 0 H ALA A 28 8.015 13.337 5.111 1.00 0.62 H new ATOM 0 HA ALA A 28 9.923 12.510 6.970 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.782 14.811 6.736 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.357 14.099 5.161 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.271 15.285 5.924 1.00 0.76 H new ATOM 449 N LYS A 29 7.530 14.380 8.203 1.00 0.69 N ATOM 450 CA LYS A 29 6.937 14.845 9.450 1.00 0.73 C ATOM 451 C LYS A 29 6.659 13.659 10.357 1.00 0.72 C ATOM 452 O LYS A 29 6.929 13.709 11.556 1.00 0.81 O ATOM 453 CB LYS A 29 5.665 15.641 9.175 1.00 0.71 C ATOM 454 CG LYS A 29 5.945 16.979 8.516 1.00 0.75 C ATOM 455 CD LYS A 29 4.670 17.682 8.084 1.00 0.69 C ATOM 456 CE LYS A 29 4.978 19.011 7.419 1.00 0.68 C ATOM 457 NZ LYS A 29 5.860 18.842 6.234 1.00 0.89 N ATOM 0 H LYS A 29 6.956 14.540 7.375 1.00 0.69 H new ATOM 0 HA LYS A 29 7.638 15.510 9.955 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.006 15.055 8.534 1.00 0.71 H new ATOM 0 HB3 LYS A 29 5.134 15.806 10.113 1.00 0.71 H new ATOM 0 HG2 LYS A 29 6.493 17.617 9.210 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.587 16.828 7.648 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.116 17.046 7.393 1.00 0.69 H new ATOM 0 HD3 LYS A 29 4.029 17.845 8.951 1.00 0.69 H new ATOM 0 HE2 LYS A 29 4.047 19.490 7.115 1.00 0.68 H new ATOM 0 HE3 LYS A 29 5.458 19.675 8.138 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.035 19.769 5.796 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 6.765 18.424 6.531 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 5.399 18.215 5.544 1.00 0.89 H new ATOM 471 N ILE A 30 6.087 12.601 9.789 1.00 0.64 N ATOM 472 CA ILE A 30 5.835 11.382 10.541 1.00 0.64 C ATOM 473 C ILE A 30 7.150 10.861 11.119 1.00 0.72 C ATOM 474 O ILE A 30 7.200 10.413 12.262 1.00 0.80 O ATOM 475 CB ILE A 30 5.175 10.297 9.661 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.818 10.793 9.153 1.00 0.52 C ATOM 477 CG2 ILE A 30 5.013 8.995 10.437 1.00 0.58 C ATOM 478 CD1 ILE A 30 3.130 9.835 8.204 1.00 0.46 C ATOM 0 H ILE A 30 5.791 12.566 8.813 1.00 0.64 H new ATOM 0 HA ILE A 30 5.142 11.616 11.350 1.00 0.64 H new ATOM 0 HB ILE A 30 5.822 10.100 8.806 1.00 0.54 H new ATOM 0 HG12 ILE A 30 3.166 10.974 10.007 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.957 11.750 8.650 1.00 0.52 H new ATOM 0 HG21 ILE A 30 4.546 8.246 9.797 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.992 8.639 10.758 1.00 0.58 H new ATOM 0 HG23 ILE A 30 4.385 9.168 11.311 1.00 0.58 H new ATOM 0 HD11 ILE A 30 2.176 10.257 7.889 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.761 9.672 7.330 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.957 8.884 8.709 1.00 0.46 H new ATOM 490 N GLN A 31 8.208 10.909 10.313 1.00 0.71 N ATOM 491 CA GLN A 31 9.531 10.492 10.767 1.00 0.82 C ATOM 492 C GLN A 31 9.950 11.310 11.988 1.00 0.93 C ATOM 493 O GLN A 31 10.594 10.798 12.900 1.00 1.01 O ATOM 494 CB GLN A 31 10.572 10.635 9.655 1.00 0.84 C ATOM 495 CG GLN A 31 11.936 10.080 10.037 1.00 0.97 C ATOM 496 CD GLN A 31 12.932 10.103 8.897 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.879 10.965 8.019 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.852 9.151 8.906 1.00 1.18 N ATOM 0 H GLN A 31 8.175 11.231 9.346 1.00 0.71 H new ATOM 0 HA GLN A 31 9.476 9.439 11.042 1.00 0.82 H new ATOM 0 HB2 GLN A 31 10.214 10.121 8.763 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.675 11.689 9.396 1.00 0.84 H new ATOM 0 HG2 GLN A 31 12.335 10.658 10.871 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.818 9.054 10.387 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.860 8.456 9.653 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.553 9.112 8.166 1.00 1.18 H new ATOM 507 N ASP A 32 9.590 12.587 11.997 1.00 0.95 N ATOM 508 CA ASP A 32 9.903 13.458 13.124 1.00 1.08 C ATOM 509 C ASP A 32 9.104 13.043 14.354 1.00 1.10 C ATOM 510 O ASP A 32 9.643 12.949 15.455 1.00 1.19 O ATOM 511 CB ASP A 32 9.585 14.919 12.797 1.00 1.15 C ATOM 512 CG ASP A 32 10.542 15.532 11.799 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.768 15.366 11.959 1.00 1.24 O ATOM 514 OD2 ASP A 32 10.072 16.195 10.849 1.00 1.51 O ATOM 0 H ASP A 32 9.082 13.042 11.239 1.00 0.95 H new ATOM 0 HA ASP A 32 10.970 13.362 13.326 1.00 1.08 H new ATOM 0 HB2 ASP A 32 8.571 14.983 12.403 1.00 1.15 H new ATOM 0 HB3 ASP A 32 9.608 15.503 13.717 1.00 1.15 H new ATOM 519 N LYS A 33 7.813 12.796 14.155 1.00 1.04 N ATOM 520 CA LYS A 33 6.925 12.403 15.243 1.00 1.08 C ATOM 521 C LYS A 33 7.070 10.919 15.587 1.00 1.05 C ATOM 522 O LYS A 33 7.820 10.554 16.489 1.00 1.11 O ATOM 523 CB LYS A 33 5.471 12.705 14.865 1.00 1.05 C ATOM 524 CG LYS A 33 4.815 13.766 15.732 1.00 1.11 C ATOM 525 CD LYS A 33 3.425 14.117 15.222 1.00 1.21 C ATOM 526 CE LYS A 33 2.636 14.907 16.254 1.00 1.50 C ATOM 527 NZ LYS A 33 1.315 15.346 15.733 1.00 1.79 N ATOM 0 H LYS A 33 7.357 12.862 13.245 1.00 1.04 H new ATOM 0 HA LYS A 33 7.206 12.980 16.124 1.00 1.08 H new ATOM 0 HB2 LYS A 33 5.436 13.028 13.825 1.00 1.05 H new ATOM 0 HB3 LYS A 33 4.890 11.785 14.932 1.00 1.05 H new ATOM 0 HG2 LYS A 33 4.748 13.408 16.759 1.00 1.11 H new ATOM 0 HG3 LYS A 33 5.436 14.662 15.746 1.00 1.11 H new ATOM 0 HD2 LYS A 33 3.509 14.698 14.304 1.00 1.21 H new ATOM 0 HD3 LYS A 33 2.886 13.203 14.972 1.00 1.21 H new ATOM 0 HE2 LYS A 33 2.489 14.294 17.144 1.00 1.50 H new ATOM 0 HE3 LYS A 33 3.213 15.780 16.560 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.247 16.382 15.789 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 1.215 15.046 14.742 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 0.557 14.918 16.303 1.00 1.79 H new ATOM 541 N GLU A 34 6.352 10.074 14.853 1.00 0.98 N ATOM 542 CA GLU A 34 6.355 8.628 15.070 1.00 0.97 C ATOM 543 C GLU A 34 7.724 7.983 14.841 1.00 0.95 C ATOM 544 O GLU A 34 7.960 6.856 15.277 1.00 0.97 O ATOM 545 CB GLU A 34 5.329 7.980 14.139 1.00 0.89 C ATOM 546 CG GLU A 34 3.956 8.630 14.201 1.00 0.94 C ATOM 547 CD GLU A 34 3.272 8.421 15.535 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.663 7.349 15.729 1.00 1.18 O ATOM 549 OE2 GLU A 34 3.332 9.322 16.395 1.00 1.56 O ATOM 0 H GLU A 34 5.748 10.373 14.087 1.00 0.98 H new ATOM 0 HA GLU A 34 6.099 8.462 16.116 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.699 8.028 13.115 1.00 0.89 H new ATOM 0 HB3 GLU A 34 5.234 6.925 14.395 1.00 0.89 H new ATOM 0 HG2 GLU A 34 4.055 9.699 14.011 1.00 0.94 H new ATOM 0 HG3 GLU A 34 3.329 8.223 13.408 1.00 0.94 H new ATOM 556 N GLY A 35 8.624 8.687 14.174 1.00 0.94 N ATOM 557 CA GLY A 35 9.940 8.132 13.910 1.00 0.94 C ATOM 558 C GLY A 35 9.931 7.069 12.827 1.00 0.88 C ATOM 559 O GLY A 35 10.747 6.146 12.849 1.00 0.92 O ATOM 0 H GLY A 35 8.471 9.628 13.811 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.615 8.936 13.616 1.00 0.94 H new ATOM 0 HA3 GLY A 35 10.338 7.702 14.829 1.00 0.94 H new ATOM 563 N ILE A 36 9.004 7.182 11.889 1.00 0.79 N ATOM 564 CA ILE A 36 8.912 6.226 10.793 1.00 0.73 C ATOM 565 C ILE A 36 9.526 6.815 9.525 1.00 0.69 C ATOM 566 O ILE A 36 9.094 7.867 9.058 1.00 0.63 O ATOM 567 CB ILE A 36 7.447 5.828 10.507 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.754 5.370 11.793 1.00 0.77 C ATOM 569 CG2 ILE A 36 7.388 4.730 9.451 1.00 0.63 C ATOM 570 CD1 ILE A 36 5.269 5.126 11.626 1.00 0.76 C ATOM 0 H ILE A 36 8.305 7.924 11.863 1.00 0.79 H new ATOM 0 HA ILE A 36 9.462 5.334 11.093 1.00 0.73 H new ATOM 0 HB ILE A 36 6.922 6.703 10.125 1.00 0.66 H new ATOM 0 HG12 ILE A 36 7.227 4.453 12.144 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.906 6.123 12.566 1.00 0.77 H new ATOM 0 HG21 ILE A 36 6.348 4.462 9.262 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.844 5.088 8.528 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.930 3.854 9.807 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.844 4.804 12.577 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.783 6.047 11.304 1.00 0.76 H new ATOM 0 HD13 ILE A 36 5.110 4.351 10.876 1.00 0.76 H new ATOM 582 N PRO A 37 10.554 6.158 8.959 1.00 0.76 N ATOM 583 CA PRO A 37 11.212 6.630 7.733 1.00 0.77 C ATOM 584 C PRO A 37 10.242 6.709 6.552 1.00 0.66 C ATOM 585 O PRO A 37 9.451 5.792 6.341 1.00 0.58 O ATOM 586 CB PRO A 37 12.287 5.571 7.463 1.00 0.88 C ATOM 587 CG PRO A 37 12.484 4.869 8.763 1.00 0.97 C ATOM 588 CD PRO A 37 11.157 4.916 9.468 1.00 0.88 C ATOM 0 HA PRO A 37 11.611 7.637 7.852 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.968 4.877 6.686 1.00 0.88 H new ATOM 0 HB3 PRO A 37 13.214 6.030 7.120 1.00 0.88 H new ATOM 0 HG2 PRO A 37 12.805 3.839 8.605 1.00 0.97 H new ATOM 0 HG3 PRO A 37 13.258 5.357 9.356 1.00 0.97 H new ATOM 0 HD2 PRO A 37 10.545 4.045 9.234 1.00 0.88 H new ATOM 0 HD3 PRO A 37 11.276 4.940 10.551 1.00 0.88 H new ATOM 596 N PRO A 38 10.278 7.815 5.786 1.00 0.70 N ATOM 597 CA PRO A 38 9.405 8.021 4.617 1.00 0.66 C ATOM 598 C PRO A 38 9.447 6.864 3.622 1.00 0.65 C ATOM 599 O PRO A 38 8.421 6.483 3.055 1.00 0.62 O ATOM 600 CB PRO A 38 9.973 9.289 3.980 1.00 0.81 C ATOM 601 CG PRO A 38 10.567 10.034 5.119 1.00 0.91 C ATOM 602 CD PRO A 38 11.147 8.984 6.024 1.00 0.86 C ATOM 0 HA PRO A 38 8.357 8.093 4.908 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.722 9.054 3.224 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.194 9.870 3.487 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.336 10.726 4.777 1.00 0.91 H new ATOM 0 HG3 PRO A 38 9.813 10.626 5.637 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.187 8.770 5.777 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.125 9.296 7.068 1.00 0.86 H new ATOM 610 N ASP A 39 10.638 6.312 3.414 1.00 0.73 N ATOM 611 CA ASP A 39 10.814 5.189 2.493 1.00 0.79 C ATOM 612 C ASP A 39 10.041 3.970 2.987 1.00 0.74 C ATOM 613 O ASP A 39 9.606 3.129 2.200 1.00 0.81 O ATOM 614 CB ASP A 39 12.294 4.829 2.340 1.00 0.89 C ATOM 615 CG ASP A 39 13.047 5.783 1.434 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.806 5.772 0.208 1.00 2.66 O ATOM 617 OD2 ASP A 39 13.896 6.542 1.942 1.00 2.29 O ATOM 0 H ASP A 39 11.497 6.622 3.869 1.00 0.73 H new ATOM 0 HA ASP A 39 10.427 5.493 1.520 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.764 4.824 3.323 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.377 3.818 1.942 1.00 0.89 H new ATOM 622 N GLN A 40 9.866 3.893 4.300 1.00 0.67 N ATOM 623 CA GLN A 40 9.155 2.790 4.930 1.00 0.70 C ATOM 624 C GLN A 40 7.674 3.119 5.097 1.00 0.60 C ATOM 625 O GLN A 40 6.973 2.497 5.896 1.00 0.67 O ATOM 626 CB GLN A 40 9.775 2.487 6.297 1.00 0.79 C ATOM 627 CG GLN A 40 10.906 1.470 6.254 1.00 0.95 C ATOM 628 CD GLN A 40 12.032 1.867 5.316 1.00 1.48 C ATOM 629 OE1 GLN A 40 12.942 2.602 5.696 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.981 1.375 4.088 1.00 2.01 N ATOM 0 H GLN A 40 10.213 4.592 4.956 1.00 0.67 H new ATOM 0 HA GLN A 40 9.242 1.914 4.287 1.00 0.70 H new ATOM 0 HB2 GLN A 40 10.151 3.415 6.727 1.00 0.79 H new ATOM 0 HB3 GLN A 40 8.995 2.120 6.964 1.00 0.79 H new ATOM 0 HG2 GLN A 40 11.308 1.340 7.259 1.00 0.95 H new ATOM 0 HG3 GLN A 40 10.506 0.505 5.943 1.00 0.95 H new ATOM 0 HE21 GLN A 40 11.208 0.769 3.813 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.715 1.602 3.417 1.00 2.01 H new ATOM 639 N GLN A 41 7.198 4.093 4.337 1.00 0.51 N ATOM 640 CA GLN A 41 5.805 4.501 4.407 1.00 0.44 C ATOM 641 C GLN A 41 5.121 4.337 3.060 1.00 0.45 C ATOM 642 O GLN A 41 5.728 4.574 2.012 1.00 0.51 O ATOM 643 CB GLN A 41 5.689 5.963 4.838 1.00 0.40 C ATOM 644 CG GLN A 41 6.222 6.255 6.228 1.00 0.41 C ATOM 645 CD GLN A 41 6.052 7.712 6.600 1.00 0.40 C ATOM 646 OE1 GLN A 41 5.102 8.361 6.168 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.975 8.244 7.380 1.00 0.46 N ATOM 0 H GLN A 41 7.758 4.616 3.664 1.00 0.51 H new ATOM 0 HA GLN A 41 5.317 3.861 5.143 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.225 6.584 4.120 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.641 6.259 4.795 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.702 5.631 6.955 1.00 0.41 H new ATOM 0 HG3 GLN A 41 7.278 5.988 6.276 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.749 7.672 7.718 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.914 9.227 7.644 1.00 0.46 H new ATOM 656 N ARG A 42 3.866 3.921 3.091 1.00 0.46 N ATOM 657 CA ARG A 42 3.078 3.758 1.879 1.00 0.52 C ATOM 658 C ARG A 42 1.740 4.460 2.043 1.00 0.50 C ATOM 659 O ARG A 42 0.899 4.027 2.831 1.00 0.53 O ATOM 660 CB ARG A 42 2.851 2.277 1.553 1.00 0.63 C ATOM 661 CG ARG A 42 4.097 1.546 1.087 1.00 0.69 C ATOM 662 CD ARG A 42 4.669 2.148 -0.185 1.00 0.75 C ATOM 663 NE ARG A 42 5.846 1.415 -0.650 1.00 0.87 N ATOM 664 CZ ARG A 42 7.105 1.783 -0.399 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.359 2.871 0.322 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.114 1.060 -0.867 1.00 1.11 N ATOM 0 H ARG A 42 3.367 3.688 3.950 1.00 0.46 H new ATOM 0 HA ARG A 42 3.631 4.203 1.052 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.460 1.777 2.439 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.087 2.199 0.780 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.851 1.577 1.874 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.859 0.496 0.916 1.00 0.69 H new ATOM 0 HD2 ARG A 42 3.907 2.144 -0.964 1.00 0.75 H new ATOM 0 HD3 ARG A 42 4.936 3.189 -0.006 1.00 0.75 H new ATOM 0 HE ARG A 42 5.696 0.570 -1.201 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.589 3.431 0.688 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.323 3.145 0.509 1.00 0.94 H new ATOM 0 HH21 ARG A 42 7.928 0.223 -1.419 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.075 1.342 -0.675 1.00 1.11 H new ATOM 680 N LEU A 43 1.566 5.560 1.325 1.00 0.47 N ATOM 681 CA LEU A 43 0.328 6.320 1.391 1.00 0.46 C ATOM 682 C LEU A 43 -0.643 5.846 0.321 1.00 0.49 C ATOM 683 O LEU A 43 -0.417 6.044 -0.877 1.00 0.65 O ATOM 684 CB LEU A 43 0.598 7.818 1.243 1.00 0.47 C ATOM 685 CG LEU A 43 1.005 8.533 2.535 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.436 9.960 2.243 1.00 0.98 C ATOM 687 CD2 LEU A 43 -0.141 8.524 3.539 1.00 1.14 C ATOM 0 H LEU A 43 2.266 5.945 0.691 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.122 6.152 2.369 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.387 7.958 0.504 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.298 8.296 0.848 1.00 0.47 H new ATOM 0 HG LEU A 43 1.849 7.996 2.968 1.00 0.64 H new ATOM 0 HD11 LEU A 43 1.721 10.451 3.173 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.287 9.951 1.562 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.610 10.503 1.784 1.00 0.98 H new ATOM 0 HD21 LEU A 43 0.169 9.037 4.450 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -1.004 9.034 3.111 1.00 1.14 H new ATOM 0 HD23 LEU A 43 -0.409 7.494 3.776 1.00 1.14 H new ATOM 699 N ILE A 44 -1.715 5.213 0.766 1.00 0.55 N ATOM 700 CA ILE A 44 -2.733 4.688 -0.127 1.00 0.63 C ATOM 701 C ILE A 44 -4.033 5.466 0.045 1.00 0.63 C ATOM 702 O ILE A 44 -4.465 5.725 1.170 1.00 0.92 O ATOM 703 CB ILE A 44 -3.000 3.191 0.146 1.00 0.95 C ATOM 704 CG1 ILE A 44 -1.684 2.442 0.376 1.00 1.33 C ATOM 705 CG2 ILE A 44 -3.767 2.570 -1.011 1.00 1.57 C ATOM 706 CD1 ILE A 44 -1.865 1.028 0.887 1.00 1.75 C ATOM 0 H ILE A 44 -1.904 5.049 1.755 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.367 4.798 -1.148 1.00 0.63 H new ATOM 0 HB ILE A 44 -3.605 3.109 1.049 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -1.126 2.411 -0.560 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -1.079 3.001 1.089 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -3.947 1.515 -0.804 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -4.720 3.084 -1.133 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -3.184 2.665 -1.927 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -0.889 0.563 1.025 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -2.394 1.050 1.840 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -2.442 0.451 0.165 1.00 1.75 H new ATOM 718 N PHE A 45 -4.650 5.837 -1.063 1.00 0.58 N ATOM 719 CA PHE A 45 -5.892 6.591 -1.024 1.00 0.72 C ATOM 720 C PHE A 45 -6.891 6.079 -2.059 1.00 0.86 C ATOM 721 O PHE A 45 -6.613 6.070 -3.258 1.00 0.83 O ATOM 722 CB PHE A 45 -5.615 8.079 -1.258 1.00 0.77 C ATOM 723 CG PHE A 45 -6.862 8.904 -1.425 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.811 8.968 -0.415 1.00 0.98 C ATOM 725 CD2 PHE A 45 -7.089 9.610 -2.596 1.00 1.68 C ATOM 726 CE1 PHE A 45 -8.959 9.717 -0.573 1.00 1.21 C ATOM 727 CE2 PHE A 45 -8.236 10.362 -2.756 1.00 1.95 C ATOM 728 CZ PHE A 45 -9.171 10.415 -1.744 1.00 1.59 C ATOM 0 H PHE A 45 -4.311 5.628 -2.002 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.331 6.456 -0.036 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -5.041 8.470 -0.418 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -4.994 8.189 -2.147 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -7.649 8.426 0.505 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.360 9.571 -3.392 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -9.691 9.757 0.220 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.401 10.908 -3.673 1.00 1.95 H new ATOM 0 HZ PHE A 45 -10.069 11.003 -1.868 1.00 1.59 H new ATOM 738 N ALA A 46 -8.041 5.624 -1.563 1.00 1.21 N ATOM 739 CA ALA A 46 -9.139 5.130 -2.397 1.00 1.45 C ATOM 740 C ALA A 46 -8.750 3.929 -3.259 1.00 1.26 C ATOM 741 O ALA A 46 -9.493 3.549 -4.161 1.00 1.24 O ATOM 742 CB ALA A 46 -9.683 6.253 -3.273 1.00 1.65 C ATOM 0 H ALA A 46 -8.240 5.587 -0.563 1.00 1.21 H new ATOM 0 HA ALA A 46 -9.915 4.784 -1.714 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.499 5.872 -3.888 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -10.052 7.061 -2.641 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -8.888 6.630 -3.917 1.00 1.65 H new ATOM 748 N GLY A 47 -7.603 3.326 -2.984 1.00 1.29 N ATOM 749 CA GLY A 47 -7.175 2.183 -3.761 1.00 1.38 C ATOM 750 C GLY A 47 -5.931 2.478 -4.564 1.00 1.26 C ATOM 751 O GLY A 47 -5.256 1.562 -5.030 1.00 1.51 O ATOM 0 H GLY A 47 -6.964 3.607 -2.240 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -6.985 1.342 -3.094 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -7.978 1.881 -4.434 1.00 1.38 H new ATOM 755 N LYS A 48 -5.629 3.758 -4.723 1.00 1.08 N ATOM 756 CA LYS A 48 -4.454 4.182 -5.468 1.00 1.25 C ATOM 757 C LYS A 48 -3.347 4.589 -4.502 1.00 1.05 C ATOM 758 O LYS A 48 -3.609 4.871 -3.335 1.00 1.03 O ATOM 759 CB LYS A 48 -4.797 5.354 -6.392 1.00 1.51 C ATOM 760 CG LYS A 48 -5.655 4.969 -7.587 1.00 1.98 C ATOM 761 CD LYS A 48 -7.107 5.386 -7.398 1.00 2.33 C ATOM 762 CE LYS A 48 -7.889 5.251 -8.695 1.00 2.71 C ATOM 763 NZ LYS A 48 -9.320 5.628 -8.542 1.00 3.64 N ATOM 0 H LYS A 48 -6.185 4.524 -4.344 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.110 3.348 -6.079 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -5.318 6.118 -5.815 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -3.871 5.803 -6.752 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -5.256 5.438 -8.487 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -5.603 3.891 -7.739 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -7.568 4.770 -6.626 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -7.150 6.418 -7.050 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -7.431 5.880 -9.458 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -7.824 4.222 -9.049 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -9.807 5.518 -9.454 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -9.768 5.012 -7.834 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -9.387 6.618 -8.231 1.00 3.64 H new ATOM 777 N GLN A 49 -2.115 4.622 -4.983 1.00 0.98 N ATOM 778 CA GLN A 49 -0.983 4.994 -4.147 1.00 0.86 C ATOM 779 C GLN A 49 -0.425 6.348 -4.561 1.00 0.85 C ATOM 780 O GLN A 49 -0.225 6.612 -5.749 1.00 0.98 O ATOM 781 CB GLN A 49 0.113 3.933 -4.227 1.00 1.01 C ATOM 782 CG GLN A 49 -0.220 2.651 -3.482 1.00 1.26 C ATOM 783 CD GLN A 49 0.947 1.687 -3.456 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.742 1.636 -4.392 1.00 1.50 O ATOM 785 NE2 GLN A 49 1.068 0.925 -2.383 1.00 2.20 N ATOM 0 H GLN A 49 -1.872 4.396 -5.948 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.334 5.063 -3.117 1.00 0.86 H new ATOM 0 HB2 GLN A 49 0.300 3.696 -5.274 1.00 1.01 H new ATOM 0 HB3 GLN A 49 1.037 4.347 -3.824 1.00 1.01 H new ATOM 0 HG2 GLN A 49 -0.513 2.892 -2.460 1.00 1.26 H new ATOM 0 HG3 GLN A 49 -1.076 2.170 -3.954 1.00 1.26 H new ATOM 0 HE21 GLN A 49 0.387 0.997 -1.627 1.00 2.20 H new ATOM 0 HE22 GLN A 49 1.842 0.265 -2.311 1.00 2.20 H new ATOM 794 N LEU A 50 -0.157 7.192 -3.576 1.00 0.77 N ATOM 795 CA LEU A 50 0.371 8.527 -3.831 1.00 0.82 C ATOM 796 C LEU A 50 1.870 8.471 -4.102 1.00 0.89 C ATOM 797 O LEU A 50 2.586 7.658 -3.510 1.00 0.93 O ATOM 798 CB LEU A 50 0.098 9.445 -2.637 1.00 0.75 C ATOM 799 CG LEU A 50 -1.294 9.315 -2.009 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.441 10.281 -0.846 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.383 9.561 -3.044 1.00 0.87 C ATOM 0 H LEU A 50 -0.297 6.977 -2.589 1.00 0.77 H new ATOM 0 HA LEU A 50 -0.131 8.927 -4.712 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.844 9.244 -1.868 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.239 10.478 -2.956 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.405 8.297 -1.635 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.435 10.177 -0.410 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -0.688 10.058 -0.090 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.306 11.302 -1.202 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.361 9.463 -2.573 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.276 10.566 -3.453 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.292 8.831 -3.848 1.00 0.87 H new ATOM 813 N GLU A 51 2.340 9.332 -4.993 1.00 0.95 N ATOM 814 CA GLU A 51 3.752 9.383 -5.340 1.00 1.07 C ATOM 815 C GLU A 51 4.504 10.287 -4.366 1.00 0.91 C ATOM 816 O GLU A 51 4.046 11.381 -4.043 1.00 0.89 O ATOM 817 CB GLU A 51 3.926 9.885 -6.775 1.00 1.37 C ATOM 818 CG GLU A 51 4.956 9.102 -7.569 1.00 1.59 C ATOM 819 CD GLU A 51 4.712 7.611 -7.514 1.00 1.84 C ATOM 820 OE1 GLU A 51 3.850 7.116 -8.270 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.382 6.922 -6.717 1.00 2.64 O ATOM 0 H GLU A 51 1.760 10.008 -5.491 1.00 0.95 H new ATOM 0 HA GLU A 51 4.166 8.377 -5.270 1.00 1.07 H new ATOM 0 HB2 GLU A 51 2.966 9.833 -7.289 1.00 1.37 H new ATOM 0 HB3 GLU A 51 4.218 10.935 -6.751 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.939 9.432 -8.608 1.00 1.59 H new ATOM 0 HG3 GLU A 51 5.952 9.319 -7.182 1.00 1.59 H new ATOM 828 N ASP A 52 5.657 9.815 -3.908 1.00 0.89 N ATOM 829 CA ASP A 52 6.490 10.551 -2.953 1.00 0.90 C ATOM 830 C ASP A 52 6.870 11.937 -3.464 1.00 1.06 C ATOM 831 O ASP A 52 6.860 12.907 -2.707 1.00 1.66 O ATOM 832 CB ASP A 52 7.768 9.763 -2.650 1.00 0.94 C ATOM 833 CG ASP A 52 7.488 8.384 -2.092 1.00 1.07 C ATOM 834 OD1 ASP A 52 7.087 7.492 -2.869 1.00 1.51 O ATOM 835 OD2 ASP A 52 7.665 8.184 -0.875 1.00 1.32 O ATOM 0 H ASP A 52 6.044 8.913 -4.185 1.00 0.89 H new ATOM 0 HA ASP A 52 5.898 10.675 -2.046 1.00 0.90 H new ATOM 0 HB2 ASP A 52 8.356 9.668 -3.563 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.374 10.322 -1.937 1.00 0.94 H new ATOM 840 N GLY A 53 7.187 12.029 -4.747 1.00 1.02 N ATOM 841 CA GLY A 53 7.592 13.297 -5.325 1.00 1.10 C ATOM 842 C GLY A 53 6.432 14.176 -5.756 1.00 1.05 C ATOM 843 O GLY A 53 6.618 15.108 -6.540 1.00 1.14 O ATOM 0 H GLY A 53 7.171 11.247 -5.401 1.00 1.02 H new ATOM 0 HA2 GLY A 53 8.196 13.840 -4.598 1.00 1.10 H new ATOM 0 HA3 GLY A 53 8.229 13.104 -6.188 1.00 1.10 H new ATOM 847 N ARG A 54 5.242 13.894 -5.253 1.00 0.93 N ATOM 848 CA ARG A 54 4.070 14.686 -5.602 1.00 0.91 C ATOM 849 C ARG A 54 3.672 15.593 -4.450 1.00 0.83 C ATOM 850 O ARG A 54 4.279 15.557 -3.381 1.00 0.82 O ATOM 851 CB ARG A 54 2.899 13.782 -5.981 1.00 0.93 C ATOM 852 CG ARG A 54 2.880 13.382 -7.447 1.00 1.03 C ATOM 853 CD ARG A 54 2.846 14.596 -8.364 1.00 1.30 C ATOM 854 NE ARG A 54 4.187 15.053 -8.730 1.00 1.89 N ATOM 855 CZ ARG A 54 4.518 16.329 -8.927 1.00 2.64 C ATOM 856 NH1 ARG A 54 3.621 17.292 -8.748 1.00 2.91 N ATOM 857 NH2 ARG A 54 5.759 16.644 -9.275 1.00 3.46 N ATOM 0 H ARG A 54 5.060 13.127 -4.605 1.00 0.93 H new ATOM 0 HA ARG A 54 4.327 15.304 -6.462 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.935 12.881 -5.369 1.00 0.93 H new ATOM 0 HB3 ARG A 54 1.966 14.292 -5.742 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.762 12.782 -7.671 1.00 1.03 H new ATOM 0 HG3 ARG A 54 2.010 12.755 -7.641 1.00 1.03 H new ATOM 0 HD2 ARG A 54 2.289 14.350 -9.268 1.00 1.30 H new ATOM 0 HD3 ARG A 54 2.310 15.407 -7.870 1.00 1.30 H new ATOM 0 HE ARG A 54 4.916 14.349 -8.842 1.00 1.89 H new ATOM 0 HH11 ARG A 54 2.672 17.057 -8.458 1.00 2.91 H new ATOM 0 HH12 ARG A 54 3.881 18.266 -8.901 1.00 2.91 H new ATOM 0 HH21 ARG A 54 6.458 15.910 -9.391 1.00 3.46 H new ATOM 0 HH22 ARG A 54 6.014 17.620 -9.426 1.00 3.46 H new ATOM 871 N THR A 55 2.654 16.405 -4.672 1.00 0.80 N ATOM 872 CA THR A 55 2.173 17.322 -3.657 1.00 0.76 C ATOM 873 C THR A 55 0.767 16.938 -3.209 1.00 0.71 C ATOM 874 O THR A 55 0.060 16.215 -3.912 1.00 0.73 O ATOM 875 CB THR A 55 2.162 18.768 -4.183 1.00 0.81 C ATOM 876 OG1 THR A 55 2.871 18.844 -5.429 1.00 1.06 O ATOM 877 CG2 THR A 55 2.798 19.712 -3.175 1.00 0.96 C ATOM 0 H THR A 55 2.142 16.447 -5.553 1.00 0.80 H new ATOM 0 HA THR A 55 2.852 17.259 -2.807 1.00 0.76 H new ATOM 0 HB THR A 55 1.125 19.068 -4.337 1.00 0.81 H new ATOM 0 HG1 THR A 55 2.303 18.502 -6.150 1.00 1.06 H new ATOM 0 HG21 THR A 55 2.780 20.729 -3.567 1.00 0.96 H new ATOM 0 HG22 THR A 55 2.241 19.674 -2.239 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.830 19.411 -2.995 1.00 0.96 H new ATOM 885 N LEU A 56 0.369 17.422 -2.038 1.00 0.68 N ATOM 886 CA LEU A 56 -0.952 17.134 -1.491 1.00 0.67 C ATOM 887 C LEU A 56 -2.065 17.597 -2.430 1.00 0.70 C ATOM 888 O LEU A 56 -2.973 16.828 -2.757 1.00 0.71 O ATOM 889 CB LEU A 56 -1.104 17.803 -0.125 1.00 0.68 C ATOM 890 CG LEU A 56 -0.181 17.259 0.965 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.130 18.214 2.141 1.00 1.34 C ATOM 892 CD2 LEU A 56 -0.640 15.882 1.421 1.00 1.26 C ATOM 0 H LEU A 56 0.946 18.019 -1.446 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.042 16.053 -1.380 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -0.919 18.871 -0.237 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.137 17.691 0.205 1.00 0.68 H new ATOM 0 HG LEU A 56 0.822 17.166 0.548 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.532 17.812 2.908 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.246 19.181 1.808 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -1.131 18.337 2.554 1.00 1.34 H new ATOM 0 HD21 LEU A 56 0.031 15.513 2.197 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -1.653 15.949 1.819 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -0.627 15.195 0.574 1.00 1.26 H new ATOM 904 N SER A 57 -1.989 18.847 -2.872 1.00 0.74 N ATOM 905 CA SER A 57 -2.989 19.419 -3.766 1.00 0.79 C ATOM 906 C SER A 57 -3.073 18.686 -5.110 1.00 0.82 C ATOM 907 O SER A 57 -4.025 18.879 -5.868 1.00 0.84 O ATOM 908 CB SER A 57 -2.666 20.895 -3.989 1.00 0.86 C ATOM 909 OG SER A 57 -1.285 21.142 -3.770 1.00 0.95 O ATOM 0 H SER A 57 -1.237 19.489 -2.623 1.00 0.74 H new ATOM 0 HA SER A 57 -3.964 19.308 -3.292 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.936 21.183 -5.005 1.00 0.86 H new ATOM 0 HB3 SER A 57 -3.262 21.509 -3.315 1.00 0.86 H new ATOM 0 HG SER A 57 -1.139 21.373 -2.829 1.00 0.95 H new ATOM 915 N ASP A 58 -2.101 17.824 -5.395 1.00 0.83 N ATOM 916 CA ASP A 58 -2.095 17.080 -6.650 1.00 0.88 C ATOM 917 C ASP A 58 -3.148 15.983 -6.613 1.00 0.88 C ATOM 918 O ASP A 58 -3.752 15.649 -7.631 1.00 0.94 O ATOM 919 CB ASP A 58 -0.727 16.443 -6.923 1.00 0.89 C ATOM 920 CG ASP A 58 0.326 17.437 -7.367 1.00 0.87 C ATOM 921 OD1 ASP A 58 -0.016 18.422 -8.053 1.00 1.03 O ATOM 922 OD2 ASP A 58 1.510 17.228 -7.040 1.00 1.03 O ATOM 0 H ASP A 58 -1.313 17.625 -4.779 1.00 0.83 H new ATOM 0 HA ASP A 58 -2.316 17.788 -7.448 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.382 15.941 -6.019 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -0.839 15.677 -7.691 1.00 0.89 H new ATOM 927 N TYR A 59 -3.363 15.428 -5.428 1.00 0.84 N ATOM 928 CA TYR A 59 -4.331 14.352 -5.251 1.00 0.87 C ATOM 929 C TYR A 59 -5.581 14.841 -4.532 1.00 0.86 C ATOM 930 O TYR A 59 -6.261 14.056 -3.867 1.00 0.89 O ATOM 931 CB TYR A 59 -3.712 13.205 -4.452 1.00 0.81 C ATOM 932 CG TYR A 59 -2.515 12.559 -5.109 1.00 0.82 C ATOM 933 CD1 TYR A 59 -2.664 11.758 -6.235 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.238 12.733 -4.589 1.00 0.84 C ATOM 935 CE1 TYR A 59 -1.572 11.150 -6.826 1.00 0.98 C ATOM 936 CE2 TYR A 59 -0.143 12.131 -5.177 1.00 0.91 C ATOM 937 CZ TYR A 59 -0.315 11.341 -6.293 1.00 0.98 C ATOM 938 OH TYR A 59 0.775 10.731 -6.871 1.00 1.11 O ATOM 0 H TYR A 59 -2.880 15.705 -4.573 1.00 0.84 H new ATOM 0 HA TYR A 59 -4.613 14.001 -6.244 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -3.415 13.580 -3.473 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -4.474 12.443 -4.284 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -3.648 11.608 -6.655 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.100 13.348 -3.712 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -1.703 10.529 -7.700 1.00 0.98 H new ATOM 0 HE2 TYR A 59 0.844 12.279 -4.764 1.00 0.91 H new ATOM 0 HH TYR A 59 0.617 10.621 -7.832 1.00 1.11 H new ATOM 948 N ASN A 60 -5.888 16.131 -4.667 1.00 0.86 N ATOM 949 CA ASN A 60 -7.060 16.730 -4.024 1.00 0.87 C ATOM 950 C ASN A 60 -7.030 16.544 -2.507 1.00 0.80 C ATOM 951 O ASN A 60 -8.071 16.444 -1.857 1.00 0.81 O ATOM 952 CB ASN A 60 -8.356 16.146 -4.603 1.00 0.95 C ATOM 953 CG ASN A 60 -9.575 16.996 -4.274 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.485 18.220 -4.177 1.00 0.99 O ATOM 955 ND2 ASN A 60 -10.718 16.352 -4.093 1.00 1.07 N ATOM 0 H ASN A 60 -5.337 16.787 -5.220 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.031 17.800 -4.231 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.260 16.058 -5.685 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -8.503 15.139 -4.213 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.565 16.872 -3.864 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -10.751 15.336 -4.182 1.00 1.07 H new ATOM 962 N ILE A 61 -5.839 16.481 -1.936 1.00 0.75 N ATOM 963 CA ILE A 61 -5.710 16.326 -0.499 1.00 0.70 C ATOM 964 C ILE A 61 -5.815 17.692 0.163 1.00 0.72 C ATOM 965 O ILE A 61 -5.057 18.608 -0.158 1.00 0.76 O ATOM 966 CB ILE A 61 -4.382 15.646 -0.110 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.257 14.296 -0.821 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.306 15.461 1.400 1.00 0.63 C ATOM 969 CD1 ILE A 61 -2.854 13.736 -0.824 1.00 0.63 C ATOM 0 H ILE A 61 -4.955 16.534 -2.441 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.516 15.680 -0.152 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.555 16.284 -0.421 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -4.923 13.580 -0.340 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.597 14.405 -1.851 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.363 14.980 1.661 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.364 16.433 1.889 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.136 14.837 1.732 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -2.845 12.779 -1.345 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.186 14.432 -1.331 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.517 13.593 0.203 1.00 0.63 H new ATOM 981 N GLN A 62 -6.760 17.824 1.077 1.00 0.72 N ATOM 982 CA GLN A 62 -6.990 19.085 1.757 1.00 0.75 C ATOM 983 C GLN A 62 -7.087 18.869 3.262 1.00 0.73 C ATOM 984 O GLN A 62 -6.652 17.843 3.781 1.00 0.70 O ATOM 985 CB GLN A 62 -8.277 19.735 1.236 1.00 0.82 C ATOM 986 CG GLN A 62 -8.295 19.943 -0.270 1.00 0.86 C ATOM 987 CD GLN A 62 -9.614 20.497 -0.768 1.00 0.98 C ATOM 988 OE1 GLN A 62 -10.294 21.248 -0.065 1.00 1.04 O ATOM 989 NE2 GLN A 62 -9.993 20.125 -1.981 1.00 1.14 N ATOM 0 H GLN A 62 -7.383 17.069 1.366 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.149 19.748 1.554 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.127 19.113 1.517 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.411 20.698 1.728 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -7.491 20.625 -0.548 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -8.094 18.994 -0.766 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -9.402 19.502 -2.531 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -10.876 20.461 -2.365 1.00 1.14 H new ATOM 998 N LYS A 63 -7.643 19.851 3.954 1.00 0.78 N ATOM 999 CA LYS A 63 -7.818 19.777 5.395 1.00 0.81 C ATOM 1000 C LYS A 63 -8.757 18.632 5.773 1.00 0.84 C ATOM 1001 O LYS A 63 -9.680 18.299 5.024 1.00 0.88 O ATOM 1002 CB LYS A 63 -8.361 21.112 5.923 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.716 21.494 5.344 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.715 22.913 4.789 1.00 1.05 C ATOM 1005 CE LYS A 63 -9.125 22.969 3.385 1.00 1.20 C ATOM 1006 NZ LYS A 63 -9.307 24.303 2.752 1.00 1.50 N ATOM 0 H LYS A 63 -7.984 20.716 3.535 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.848 19.581 5.853 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -8.442 21.057 7.009 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.644 21.901 5.697 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.983 20.794 4.552 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -10.479 21.407 6.117 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.735 23.297 4.771 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -9.142 23.562 5.451 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -8.062 22.732 3.430 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -9.596 22.207 2.764 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -8.891 24.295 1.799 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -10.322 24.520 2.685 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -8.836 25.028 3.329 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.492 18.029 6.930 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.281 16.913 7.467 1.00 0.91 C ATOM 1022 C GLU A 64 -9.336 15.703 6.529 1.00 0.83 C ATOM 1023 O GLU A 64 -10.107 14.771 6.769 1.00 0.87 O ATOM 1024 CB GLU A 64 -10.707 17.367 7.795 1.00 1.04 C ATOM 1025 CG GLU A 64 -10.856 17.987 9.176 1.00 1.15 C ATOM 1026 CD GLU A 64 -10.086 19.278 9.330 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -10.294 20.199 8.515 1.00 1.64 O ATOM 1028 OE2 GLU A 64 -9.278 19.385 10.278 1.00 1.73 O ATOM 0 H GLU A 64 -7.715 18.302 7.531 1.00 0.86 H new ATOM 0 HA GLU A 64 -8.770 16.596 8.376 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.028 18.091 7.046 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -11.377 16.511 7.718 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -11.912 18.175 9.372 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -10.514 17.275 9.927 1.00 1.15 H new ATOM 1035 N SER A 65 -8.528 15.704 5.475 1.00 0.74 N ATOM 1036 CA SER A 65 -8.516 14.589 4.539 1.00 0.68 C ATOM 1037 C SER A 65 -7.984 13.331 5.216 1.00 0.61 C ATOM 1038 O SER A 65 -7.145 13.406 6.113 1.00 0.59 O ATOM 1039 CB SER A 65 -7.685 14.929 3.303 1.00 0.65 C ATOM 1040 OG SER A 65 -8.330 15.929 2.528 1.00 0.72 O ATOM 0 H SER A 65 -7.879 16.458 5.249 1.00 0.74 H new ATOM 0 HA SER A 65 -9.540 14.400 4.217 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.697 15.277 3.606 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.536 14.033 2.700 1.00 0.65 H new ATOM 0 HG SER A 65 -8.527 15.575 1.636 1.00 0.72 H new ATOM 1046 N THR A 66 -8.483 12.186 4.780 1.00 0.59 N ATOM 1047 CA THR A 66 -8.084 10.913 5.349 1.00 0.57 C ATOM 1048 C THR A 66 -7.251 10.110 4.359 1.00 0.55 C ATOM 1049 O THR A 66 -7.701 9.811 3.250 1.00 0.61 O ATOM 1050 CB THR A 66 -9.317 10.091 5.766 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.230 10.926 6.490 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.916 8.903 6.628 1.00 0.68 C ATOM 0 H THR A 66 -9.169 12.114 4.029 1.00 0.59 H new ATOM 0 HA THR A 66 -7.479 11.123 6.231 1.00 0.57 H new ATOM 0 HB THR A 66 -9.799 9.713 4.864 1.00 0.66 H new ATOM 0 HG1 THR A 66 -11.015 10.401 6.753 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.806 8.340 6.908 1.00 0.68 H new ATOM 0 HG22 THR A 66 -8.240 8.258 6.067 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.414 9.259 7.527 1.00 0.68 H new ATOM 1060 N LEU A 67 -6.038 9.769 4.762 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.140 8.993 3.926 1.00 0.53 C ATOM 1062 C LEU A 67 -4.729 7.734 4.672 1.00 0.56 C ATOM 1063 O LEU A 67 -4.536 7.772 5.887 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.896 9.809 3.561 1.00 0.53 C ATOM 1065 CG LEU A 67 -4.159 11.094 2.773 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.867 11.872 2.584 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.790 10.779 1.426 1.00 0.84 C ATOM 0 H LEU A 67 -5.651 10.021 5.672 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.656 8.727 3.004 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.370 10.068 4.480 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.226 9.177 2.978 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.856 11.709 3.342 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -3.070 12.783 2.022 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.453 12.131 3.558 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -2.150 11.260 2.036 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.969 11.707 0.882 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -4.118 10.144 0.849 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.736 10.261 1.580 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.622 6.622 3.968 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.233 5.374 4.600 1.00 0.54 C ATOM 1081 C HIS A 68 -2.729 5.182 4.550 1.00 0.49 C ATOM 1082 O HIS A 68 -2.102 5.328 3.501 1.00 0.50 O ATOM 1083 CB HIS A 68 -4.947 4.189 3.953 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.366 4.046 4.401 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.754 4.182 5.716 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -7.496 3.797 3.701 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -8.059 4.018 5.803 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -8.534 3.782 4.597 1.00 1.45 N ATOM 0 H HIS A 68 -4.798 6.557 2.965 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.533 5.424 5.647 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -4.924 4.306 2.870 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.404 3.273 4.187 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -6.130 4.379 6.499 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -7.568 3.639 2.635 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -8.641 4.069 6.711 1.00 1.33 H new ATOM 1097 N LEU A 69 -2.164 4.850 5.694 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.734 4.639 5.804 1.00 0.47 C ATOM 1099 C LEU A 69 -0.433 3.191 6.156 1.00 0.53 C ATOM 1100 O LEU A 69 -1.046 2.617 7.060 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.130 5.568 6.856 1.00 0.49 C ATOM 1102 CG LEU A 69 1.395 5.512 6.978 1.00 0.67 C ATOM 1103 CD1 LEU A 69 2.054 6.102 5.741 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.858 6.241 8.228 1.00 1.00 C ATOM 0 H LEU A 69 -2.677 4.720 6.566 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.284 4.867 4.838 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.422 6.592 6.624 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.565 5.324 7.825 1.00 0.49 H new ATOM 0 HG LEU A 69 1.693 4.467 7.059 1.00 0.67 H new ATOM 0 HD11 LEU A 69 3.138 6.053 5.848 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.750 5.535 4.861 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.748 7.142 5.626 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.945 6.190 8.297 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.546 7.284 8.177 1.00 1.00 H new ATOM 0 HD23 LEU A 69 1.416 5.772 9.107 1.00 1.00 H new ATOM 1116 N VAL A 70 0.488 2.603 5.418 1.00 0.53 N ATOM 1117 CA VAL A 70 0.891 1.227 5.643 1.00 0.59 C ATOM 1118 C VAL A 70 2.389 1.162 5.926 1.00 0.57 C ATOM 1119 O VAL A 70 3.179 1.843 5.269 1.00 0.57 O ATOM 1120 CB VAL A 70 0.538 0.341 4.427 1.00 0.65 C ATOM 1121 CG1 VAL A 70 1.194 -1.028 4.531 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -0.971 0.196 4.300 1.00 1.05 C ATOM 0 H VAL A 70 0.976 3.062 4.649 1.00 0.53 H new ATOM 0 HA VAL A 70 0.347 0.847 6.508 1.00 0.59 H new ATOM 0 HB VAL A 70 0.923 0.830 3.532 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.926 -1.627 3.661 1.00 1.08 H new ATOM 0 HG12 VAL A 70 2.277 -0.910 4.571 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.850 -1.529 5.436 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.205 -0.431 3.439 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.370 -0.265 5.204 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -1.421 1.180 4.166 1.00 1.05 H new ATOM 1132 N LEU A 71 2.768 0.359 6.915 1.00 0.61 N ATOM 1133 CA LEU A 71 4.169 0.210 7.281 1.00 0.63 C ATOM 1134 C LEU A 71 4.901 -0.625 6.240 1.00 0.64 C ATOM 1135 O LEU A 71 4.573 -1.792 6.020 1.00 0.70 O ATOM 1136 CB LEU A 71 4.299 -0.443 8.658 1.00 0.73 C ATOM 1137 CG LEU A 71 3.552 0.262 9.794 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.762 -0.476 11.104 1.00 0.97 C ATOM 1139 CD2 LEU A 71 4.000 1.711 9.921 1.00 0.98 C ATOM 0 H LEU A 71 2.124 -0.198 7.476 1.00 0.61 H new ATOM 0 HA LEU A 71 4.619 1.202 7.321 1.00 0.63 H new ATOM 0 HB2 LEU A 71 3.937 -1.469 8.590 1.00 0.73 H new ATOM 0 HB3 LEU A 71 5.356 -0.494 8.918 1.00 0.73 H new ATOM 0 HG LEU A 71 2.488 0.256 9.558 1.00 0.86 H new ATOM 0 HD11 LEU A 71 3.225 0.038 11.901 1.00 0.97 H new ATOM 0 HD12 LEU A 71 3.387 -1.495 11.012 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.826 -0.501 11.341 1.00 0.97 H new ATOM 0 HD21 LEU A 71 3.455 2.190 10.734 1.00 0.98 H new ATOM 0 HD22 LEU A 71 5.069 1.744 10.131 1.00 0.98 H new ATOM 0 HD23 LEU A 71 3.797 2.238 8.989 1.00 0.98 H new ATOM 1151 N ARG A 72 5.888 -0.022 5.601 1.00 0.88 N ATOM 1152 CA ARG A 72 6.661 -0.698 4.572 1.00 0.97 C ATOM 1153 C ARG A 72 8.092 -0.923 5.038 1.00 1.16 C ATOM 1154 O ARG A 72 9.036 -0.367 4.475 1.00 1.48 O ATOM 1155 CB ARG A 72 6.650 0.124 3.283 1.00 1.07 C ATOM 1156 CG ARG A 72 6.559 -0.721 2.025 1.00 1.39 C ATOM 1157 CD ARG A 72 7.883 -1.382 1.693 1.00 1.15 C ATOM 1158 NE ARG A 72 7.696 -2.716 1.133 1.00 1.50 N ATOM 1159 CZ ARG A 72 8.683 -3.578 0.923 1.00 1.88 C ATOM 1160 NH1 ARG A 72 9.937 -3.241 1.201 1.00 2.11 N ATOM 1161 NH2 ARG A 72 8.411 -4.778 0.431 1.00 2.62 N ATOM 0 H ARG A 72 6.175 0.941 5.778 1.00 0.88 H new ATOM 0 HA ARG A 72 6.205 -1.669 4.378 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.807 0.814 3.309 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.556 0.729 3.240 1.00 1.07 H new ATOM 0 HG2 ARG A 72 5.794 -1.486 2.156 1.00 1.39 H new ATOM 0 HG3 ARG A 72 6.245 -0.096 1.189 1.00 1.39 H new ATOM 0 HD2 ARG A 72 8.431 -0.763 0.982 1.00 1.15 H new ATOM 0 HD3 ARG A 72 8.493 -1.448 2.594 1.00 1.15 H new ATOM 0 HE ARG A 72 6.749 -3.004 0.888 1.00 1.50 H new ATOM 0 HH11 ARG A 72 10.145 -2.316 1.578 1.00 2.11 H new ATOM 0 HH12 ARG A 72 10.692 -3.907 1.038 1.00 2.11 H new ATOM 0 HH21 ARG A 72 7.448 -5.035 0.216 1.00 2.62 H new ATOM 0 HH22 ARG A 72 9.165 -5.445 0.267 1.00 2.62 H new ATOM 1175 N LEU A 73 8.244 -1.735 6.070 1.00 1.26 N ATOM 1176 CA LEU A 73 9.560 -2.039 6.608 1.00 1.52 C ATOM 1177 C LEU A 73 10.342 -2.898 5.623 1.00 1.66 C ATOM 1178 O LEU A 73 9.791 -3.818 5.018 1.00 1.74 O ATOM 1179 CB LEU A 73 9.438 -2.755 7.955 1.00 1.76 C ATOM 1180 CG LEU A 73 8.591 -2.025 9.002 1.00 1.75 C ATOM 1181 CD1 LEU A 73 8.532 -2.823 10.294 1.00 2.34 C ATOM 1182 CD2 LEU A 73 9.141 -0.631 9.262 1.00 1.97 C ATOM 0 H LEU A 73 7.473 -2.196 6.553 1.00 1.26 H new ATOM 0 HA LEU A 73 10.096 -1.103 6.763 1.00 1.52 H new ATOM 0 HB2 LEU A 73 9.009 -3.743 7.787 1.00 1.76 H new ATOM 0 HB3 LEU A 73 10.438 -2.907 8.361 1.00 1.76 H new ATOM 0 HG LEU A 73 7.578 -1.927 8.612 1.00 1.75 H new ATOM 0 HD11 LEU A 73 7.926 -2.288 11.025 1.00 2.34 H new ATOM 0 HD12 LEU A 73 8.087 -3.799 10.099 1.00 2.34 H new ATOM 0 HD13 LEU A 73 9.540 -2.955 10.686 1.00 2.34 H new ATOM 0 HD21 LEU A 73 8.525 -0.130 10.009 1.00 1.97 H new ATOM 0 HD22 LEU A 73 10.165 -0.706 9.628 1.00 1.97 H new ATOM 0 HD23 LEU A 73 9.128 -0.056 8.336 1.00 1.97 H new ATOM 1194 N ARG A 74 11.619 -2.585 5.455 1.00 2.10 N ATOM 1195 CA ARG A 74 12.471 -3.335 4.541 1.00 2.39 C ATOM 1196 C ARG A 74 12.703 -4.744 5.068 1.00 2.58 C ATOM 1197 O ARG A 74 12.862 -5.690 4.297 1.00 2.82 O ATOM 1198 CB ARG A 74 13.807 -2.616 4.334 1.00 2.88 C ATOM 1199 CG ARG A 74 13.908 -1.887 3.001 1.00 2.99 C ATOM 1200 CD ARG A 74 14.571 -2.749 1.934 1.00 3.11 C ATOM 1201 NE ARG A 74 14.042 -4.114 1.914 1.00 3.20 N ATOM 1202 CZ ARG A 74 13.181 -4.578 1.008 1.00 3.72 C ATOM 1203 NH1 ARG A 74 12.753 -3.798 0.018 1.00 4.12 N ATOM 1204 NH2 ARG A 74 12.749 -5.831 1.093 1.00 4.33 N ATOM 0 H ARG A 74 12.088 -1.819 5.938 1.00 2.10 H new ATOM 0 HA ARG A 74 11.965 -3.402 3.578 1.00 2.39 H new ATOM 0 HB2 ARG A 74 13.953 -1.899 5.142 1.00 2.88 H new ATOM 0 HB3 ARG A 74 14.616 -3.343 4.403 1.00 2.88 H new ATOM 0 HG2 ARG A 74 12.911 -1.599 2.668 1.00 2.99 H new ATOM 0 HG3 ARG A 74 14.479 -0.967 3.132 1.00 2.99 H new ATOM 0 HD2 ARG A 74 14.423 -2.290 0.956 1.00 3.11 H new ATOM 0 HD3 ARG A 74 15.646 -2.781 2.112 1.00 3.11 H new ATOM 0 HE ARG A 74 14.354 -4.755 2.644 1.00 3.20 H new ATOM 0 HH11 ARG A 74 13.084 -2.836 -0.053 1.00 4.12 H new ATOM 0 HH12 ARG A 74 12.094 -4.163 -0.670 1.00 4.12 H new ATOM 0 HH21 ARG A 74 13.076 -6.433 1.849 1.00 4.33 H new ATOM 0 HH22 ARG A 74 12.090 -6.191 0.403 1.00 4.33 H new ATOM 1218 N GLY A 75 12.707 -4.874 6.386 1.00 2.94 N ATOM 1219 CA GLY A 75 12.902 -6.163 7.010 1.00 3.23 C ATOM 1220 C GLY A 75 11.789 -6.484 7.983 1.00 2.96 C ATOM 1221 O GLY A 75 11.999 -6.509 9.194 1.00 3.19 O ATOM 0 H GLY A 75 12.577 -4.101 7.039 1.00 2.94 H new ATOM 0 HA2 GLY A 75 12.950 -6.936 6.243 1.00 3.23 H new ATOM 0 HA3 GLY A 75 13.858 -6.174 7.533 1.00 3.23 H new ATOM 1225 N GLY A 76 10.598 -6.713 7.456 1.00 2.87 N ATOM 1226 CA GLY A 76 9.462 -7.020 8.301 1.00 2.77 C ATOM 1227 C GLY A 76 8.474 -7.930 7.611 1.00 2.78 C ATOM 1228 O GLY A 76 8.454 -7.931 6.356 1.00 3.13 O ATOM 0 H GLY A 76 10.396 -6.692 6.456 1.00 2.87 H new ATOM 0 HA2 GLY A 76 9.810 -7.493 9.219 1.00 2.77 H new ATOM 0 HA3 GLY A 76 8.963 -6.094 8.588 1.00 2.77 H new TER 1232 GLY A 76 ATOM 1233 N MET B 1 -4.363 -24.276 -0.243 1.00 0.61 N ATOM 1234 CA MET B 1 -5.295 -23.523 0.628 1.00 0.57 C ATOM 1235 C MET B 1 -5.750 -22.260 -0.084 1.00 0.53 C ATOM 1236 O MET B 1 -5.038 -21.735 -0.931 1.00 0.56 O ATOM 1237 CB MET B 1 -4.625 -23.171 1.961 1.00 0.59 C ATOM 1238 CG MET B 1 -3.482 -22.174 1.839 1.00 0.58 C ATOM 1239 SD MET B 1 -2.579 -21.952 3.384 1.00 0.63 S ATOM 1240 CE MET B 1 -1.496 -20.593 2.944 1.00 0.64 C ATOM 0 H1 MET B 1 -3.923 -25.044 0.302 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.887 -24.678 -1.047 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.624 -23.635 -0.597 1.00 0.61 H new ATOM 0 HA MET B 1 -6.163 -24.148 0.839 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.377 -22.764 2.637 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.248 -24.086 2.418 1.00 0.59 H new ATOM 0 HG2 MET B 1 -2.792 -22.512 1.066 1.00 0.58 H new ATOM 0 HG3 MET B 1 -3.878 -21.212 1.514 1.00 0.58 H new ATOM 0 HE1 MET B 1 -0.764 -20.440 3.737 1.00 0.64 H new ATOM 0 HE2 MET B 1 -0.980 -20.826 2.013 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.085 -19.685 2.815 1.00 0.64 H new ATOM 1252 N GLN B 2 -6.925 -21.767 0.250 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.452 -20.578 -0.393 1.00 0.58 C ATOM 1254 C GLN B 2 -7.435 -19.384 0.558 1.00 0.55 C ATOM 1255 O GLN B 2 -7.645 -19.532 1.765 1.00 0.63 O ATOM 1256 CB GLN B 2 -8.879 -20.845 -0.873 1.00 0.69 C ATOM 1257 CG GLN B 2 -9.552 -19.646 -1.519 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.054 -19.811 -1.614 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -11.786 -19.460 -0.689 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -11.521 -20.343 -2.729 1.00 2.50 N ATOM 0 H GLN B 2 -7.534 -22.170 0.962 1.00 0.59 H new ATOM 0 HA GLN B 2 -6.818 -20.338 -1.246 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -8.862 -21.667 -1.588 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.481 -21.172 -0.025 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.323 -18.750 -0.943 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -9.141 -19.496 -2.518 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -10.878 -20.620 -3.471 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -12.525 -20.477 -2.849 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.165 -18.211 0.009 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.141 -16.984 0.789 1.00 0.50 C ATOM 1271 C ILE B 3 -8.127 -15.985 0.206 1.00 0.50 C ATOM 1272 O ILE B 3 -8.572 -16.138 -0.934 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.738 -16.342 0.832 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.160 -16.212 -0.582 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.809 -17.157 1.726 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.949 -15.304 -0.665 1.00 0.55 C ATOM 0 H ILE B 3 -6.958 -18.082 -0.981 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.420 -17.246 1.810 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.827 -15.341 1.253 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.886 -17.202 -0.945 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.935 -15.831 -1.248 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.823 -16.692 1.746 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.215 -17.192 2.737 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.724 -18.171 1.334 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.596 -15.262 -1.695 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.222 -14.302 -0.333 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.157 -15.695 -0.026 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.469 -14.972 0.983 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.402 -13.955 0.535 1.00 0.58 C ATOM 1290 C PHE B 4 -8.654 -12.660 0.280 1.00 0.56 C ATOM 1291 O PHE B 4 -8.105 -12.058 1.205 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.505 -13.739 1.573 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.264 -14.993 1.908 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.232 -15.482 1.048 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.003 -15.683 3.081 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -12.927 -16.636 1.350 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -11.696 -16.837 3.389 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.658 -17.315 2.522 1.00 0.96 C ATOM 0 H PHE B 4 -8.113 -14.832 1.929 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.871 -14.287 -0.391 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.062 -13.337 2.484 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.203 -12.989 1.200 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.446 -14.955 0.130 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.250 -15.314 3.761 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.680 -17.007 0.671 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.486 -17.365 4.307 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.199 -18.219 2.760 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.629 -12.236 -0.970 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.932 -11.020 -1.347 1.00 0.54 C ATOM 1310 C VAL B 5 -8.920 -9.880 -1.544 1.00 0.55 C ATOM 1311 O VAL B 5 -9.563 -9.778 -2.586 1.00 0.55 O ATOM 1312 CB VAL B 5 -7.109 -11.218 -2.638 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -6.186 -10.035 -2.874 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.312 -12.513 -2.578 1.00 0.57 C ATOM 0 H VAL B 5 -9.085 -12.718 -1.744 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.247 -10.771 -0.536 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.804 -11.283 -3.475 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.616 -10.195 -3.789 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.778 -9.125 -2.971 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.501 -9.934 -2.032 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.740 -12.631 -3.498 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.630 -12.481 -1.728 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.994 -13.355 -2.464 1.00 0.57 H new ATOM 1324 N LYS B 6 -9.051 -9.038 -0.531 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.957 -7.904 -0.590 1.00 0.59 C ATOM 1326 C LYS B 6 -9.195 -6.653 -0.983 1.00 0.77 C ATOM 1327 O LYS B 6 -8.274 -6.228 -0.285 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.654 -7.693 0.756 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.800 -8.657 1.005 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.595 -8.273 2.240 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.842 -9.132 2.387 1.00 1.66 C ATOM 1332 NZ LYS B 6 -14.844 -8.859 1.321 1.00 2.10 N ATOM 0 H LYS B 6 -8.538 -9.120 0.346 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.719 -8.111 -1.341 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -9.921 -7.799 1.556 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.032 -6.672 0.804 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.459 -8.671 0.137 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.407 -9.667 1.124 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -11.969 -8.383 3.126 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.880 -7.223 2.179 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -13.561 -10.185 2.358 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.293 -8.950 3.362 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.690 -9.443 1.482 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -15.108 -7.853 1.342 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -14.435 -9.090 0.393 1.00 2.10 H new ATOM 1346 N THR B 7 -9.568 -6.074 -2.107 1.00 0.98 N ATOM 1347 CA THR B 7 -8.909 -4.880 -2.591 1.00 1.24 C ATOM 1348 C THR B 7 -9.413 -3.648 -1.855 1.00 1.28 C ATOM 1349 O THR B 7 -10.522 -3.642 -1.314 1.00 1.19 O ATOM 1350 CB THR B 7 -9.123 -4.692 -4.105 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.518 -4.542 -4.386 1.00 2.41 O ATOM 1352 CG2 THR B 7 -8.568 -5.874 -4.885 1.00 1.57 C ATOM 0 H THR B 7 -10.325 -6.412 -2.702 1.00 0.98 H new ATOM 0 HA THR B 7 -7.843 -5.003 -2.402 1.00 1.24 H new ATOM 0 HB THR B 7 -8.590 -3.793 -4.415 1.00 1.42 H new ATOM 0 HG1 THR B 7 -10.646 -4.421 -5.350 1.00 2.41 H new ATOM 0 HG21 THR B 7 -8.732 -5.716 -5.951 1.00 1.57 H new ATOM 0 HG22 THR B 7 -7.499 -5.968 -4.692 1.00 1.57 H new ATOM 0 HG23 THR B 7 -9.074 -6.787 -4.571 1.00 1.57 H new ATOM 1360 N LEU B 8 -8.592 -2.607 -1.823 1.00 1.48 N ATOM 1361 CA LEU B 8 -8.971 -1.366 -1.172 1.00 1.61 C ATOM 1362 C LEU B 8 -9.936 -0.595 -2.068 1.00 1.52 C ATOM 1363 O LEU B 8 -10.570 0.371 -1.644 1.00 1.55 O ATOM 1364 CB LEU B 8 -7.737 -0.516 -0.871 1.00 1.99 C ATOM 1365 CG LEU B 8 -7.833 0.337 0.395 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -7.213 -0.391 1.579 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.162 1.686 0.187 1.00 3.45 C ATOM 0 H LEU B 8 -7.661 -2.600 -2.240 1.00 1.48 H new ATOM 0 HA LEU B 8 -9.462 -1.599 -0.227 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -6.873 -1.175 -0.782 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -7.551 0.141 -1.721 1.00 1.99 H new ATOM 0 HG LEU B 8 -8.887 0.509 0.611 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -7.291 0.232 2.470 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -7.740 -1.330 1.745 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -6.163 -0.596 1.371 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -7.242 2.277 1.100 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -6.110 1.536 -0.057 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -7.652 2.214 -0.631 1.00 3.45 H new ATOM 1379 N THR B 9 -10.026 -1.035 -3.317 1.00 1.49 N ATOM 1380 CA THR B 9 -10.910 -0.426 -4.291 1.00 1.52 C ATOM 1381 C THR B 9 -12.334 -0.954 -4.126 1.00 1.33 C ATOM 1382 O THR B 9 -13.308 -0.229 -4.340 1.00 1.63 O ATOM 1383 CB THR B 9 -10.413 -0.716 -5.717 1.00 1.73 C ATOM 1384 OG1 THR B 9 -9.427 -1.760 -5.673 1.00 1.99 O ATOM 1385 CG2 THR B 9 -9.812 0.529 -6.348 1.00 1.90 C ATOM 0 H THR B 9 -9.488 -1.822 -3.678 1.00 1.49 H new ATOM 0 HA THR B 9 -10.911 0.651 -4.125 1.00 1.52 H new ATOM 0 HB THR B 9 -11.262 -1.031 -6.324 1.00 1.73 H new ATOM 0 HG1 THR B 9 -9.109 -1.948 -6.581 1.00 1.99 H new ATOM 0 HG21 THR B 9 -9.468 0.296 -7.356 1.00 1.90 H new ATOM 0 HG22 THR B 9 -10.567 1.314 -6.394 1.00 1.90 H new ATOM 0 HG23 THR B 9 -8.969 0.871 -5.747 1.00 1.90 H new ATOM 1393 N GLY B 10 -12.448 -2.220 -3.743 1.00 0.95 N ATOM 1394 CA GLY B 10 -13.751 -2.815 -3.543 1.00 0.85 C ATOM 1395 C GLY B 10 -13.944 -4.080 -4.352 1.00 0.94 C ATOM 1396 O GLY B 10 -14.642 -4.075 -5.367 1.00 1.62 O ATOM 0 H GLY B 10 -11.660 -2.843 -3.568 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -13.885 -3.041 -2.485 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -14.521 -2.093 -3.815 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.315 -5.161 -3.913 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.421 -6.447 -4.590 1.00 0.97 C ATOM 1402 C LYS B 11 -12.800 -7.536 -3.727 1.00 0.86 C ATOM 1403 O LYS B 11 -11.917 -7.260 -2.919 1.00 0.85 O ATOM 1404 CB LYS B 11 -12.722 -6.400 -5.953 1.00 1.16 C ATOM 1405 CG LYS B 11 -13.261 -7.412 -6.949 1.00 1.35 C ATOM 1406 CD LYS B 11 -12.654 -7.214 -8.329 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.602 -7.666 -9.428 1.00 1.46 C ATOM 1408 NZ LYS B 11 -13.674 -9.146 -9.535 1.00 1.62 N ATOM 0 H LYS B 11 -12.721 -5.173 -3.084 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.476 -6.670 -4.750 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -12.828 -5.399 -6.372 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -11.656 -6.575 -5.811 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -13.045 -8.421 -6.597 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -14.345 -7.321 -7.011 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -12.407 -6.162 -8.471 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -11.721 -7.773 -8.400 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -14.598 -7.269 -9.232 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -13.275 -7.250 -10.381 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -14.636 -9.428 -9.811 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -12.997 -9.476 -10.253 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -13.439 -9.572 -8.616 1.00 1.62 H new ATOM 1422 N THR B 12 -13.266 -8.765 -3.890 1.00 0.80 N ATOM 1423 CA THR B 12 -12.742 -9.884 -3.126 1.00 0.72 C ATOM 1424 C THR B 12 -12.424 -11.055 -4.049 1.00 0.71 C ATOM 1425 O THR B 12 -13.324 -11.687 -4.599 1.00 0.85 O ATOM 1426 CB THR B 12 -13.732 -10.332 -2.035 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.132 -9.198 -1.252 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.103 -11.384 -1.132 1.00 0.69 C ATOM 0 H THR B 12 -14.007 -9.012 -4.546 1.00 0.80 H new ATOM 0 HA THR B 12 -11.826 -9.551 -2.639 1.00 0.72 H new ATOM 0 HB THR B 12 -14.605 -10.770 -2.518 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.105 -9.091 -1.305 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.821 -11.685 -0.369 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.820 -12.252 -1.727 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.217 -10.969 -0.652 1.00 0.69 H new ATOM 1436 N ILE B 13 -11.140 -11.318 -4.225 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.683 -12.402 -5.084 1.00 0.59 C ATOM 1438 C ILE B 13 -10.327 -13.634 -4.259 1.00 0.56 C ATOM 1439 O ILE B 13 -9.860 -13.518 -3.125 1.00 0.55 O ATOM 1440 CB ILE B 13 -9.451 -11.978 -5.913 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.539 -10.493 -6.282 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -9.337 -12.830 -7.171 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -8.203 -9.874 -6.626 1.00 0.70 C ATOM 0 H ILE B 13 -10.388 -10.791 -3.781 1.00 0.60 H new ATOM 0 HA ILE B 13 -11.502 -12.643 -5.762 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.558 -12.133 -5.307 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -10.213 -10.378 -7.131 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.980 -9.946 -5.449 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -8.464 -12.518 -7.744 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -9.233 -13.879 -6.892 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -10.233 -12.704 -7.778 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.343 -8.822 -6.877 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.532 -9.957 -5.771 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.769 -10.396 -7.479 1.00 0.70 H new ATOM 1455 N THR B 14 -10.565 -14.810 -4.823 1.00 0.57 N ATOM 1456 CA THR B 14 -10.255 -16.061 -4.151 1.00 0.57 C ATOM 1457 C THR B 14 -9.361 -16.923 -5.037 1.00 0.55 C ATOM 1458 O THR B 14 -9.678 -17.163 -6.206 1.00 0.64 O ATOM 1459 CB THR B 14 -11.539 -16.835 -3.792 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.550 -16.605 -4.783 1.00 0.92 O ATOM 1461 CG2 THR B 14 -12.063 -16.413 -2.428 1.00 1.13 C ATOM 0 H THR B 14 -10.975 -14.922 -5.750 1.00 0.57 H new ATOM 0 HA THR B 14 -9.729 -15.825 -3.226 1.00 0.57 H new ATOM 0 HB THR B 14 -11.294 -17.897 -3.762 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.360 -17.103 -4.546 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.969 -16.973 -2.197 1.00 1.13 H new ATOM 0 HG22 THR B 14 -11.308 -16.617 -1.669 1.00 1.13 H new ATOM 0 HG23 THR B 14 -12.288 -15.347 -2.439 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.230 -17.368 -4.493 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.291 -18.186 -5.254 1.00 0.54 C ATOM 1471 C LEU B 15 -6.644 -19.244 -4.372 1.00 0.53 C ATOM 1472 O LEU B 15 -6.619 -19.111 -3.145 1.00 0.54 O ATOM 1473 CB LEU B 15 -6.192 -17.317 -5.881 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.681 -16.063 -6.606 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -6.518 -14.838 -5.720 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -5.931 -15.881 -7.912 1.00 0.72 C ATOM 0 H LEU B 15 -7.943 -17.177 -3.533 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.859 -18.678 -6.044 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.499 -17.015 -5.096 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.628 -17.927 -6.586 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.741 -16.184 -6.831 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -6.871 -13.955 -6.252 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -7.100 -14.969 -4.808 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -5.466 -14.711 -5.464 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.291 -14.984 -8.416 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -4.865 -15.780 -7.708 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.098 -16.748 -8.551 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.122 -20.287 -5.006 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.459 -21.367 -4.294 1.00 0.55 C ATOM 1490 C GLU B 16 -3.967 -21.086 -4.171 1.00 0.53 C ATOM 1491 O GLU B 16 -3.251 -20.970 -5.165 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.679 -22.703 -5.003 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.858 -23.498 -4.464 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.661 -23.956 -3.030 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.543 -24.392 -2.677 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -7.630 -23.901 -2.246 1.00 1.71 O ATOM 0 H GLU B 16 -6.147 -20.406 -6.019 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.893 -21.428 -3.296 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -5.833 -22.518 -6.066 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -4.775 -23.305 -4.912 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.758 -22.887 -4.524 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.022 -24.369 -5.098 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.516 -20.963 -2.944 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.118 -20.702 -2.654 1.00 0.54 C ATOM 1505 C VAL B 17 -1.560 -21.790 -1.753 1.00 0.56 C ATOM 1506 O VAL B 17 -2.290 -22.381 -0.956 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.918 -19.325 -1.983 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.171 -18.200 -2.976 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.824 -19.181 -0.767 1.00 0.58 C ATOM 0 H VAL B 17 -4.106 -21.041 -2.115 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.583 -20.697 -3.604 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.883 -19.258 -1.648 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -2.025 -17.239 -2.482 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.476 -18.289 -3.811 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.194 -18.265 -3.347 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.667 -18.204 -0.310 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.865 -19.274 -1.076 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.589 -19.962 -0.044 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.283 -22.083 -1.897 1.00 0.59 N ATOM 1520 CA GLU B 18 0.348 -23.096 -1.074 1.00 0.65 C ATOM 1521 C GLU B 18 0.871 -22.457 0.207 1.00 0.68 C ATOM 1522 O GLU B 18 1.176 -21.265 0.222 1.00 0.70 O ATOM 1523 CB GLU B 18 1.483 -23.774 -1.845 1.00 0.73 C ATOM 1524 CG GLU B 18 1.011 -24.544 -3.073 1.00 1.05 C ATOM 1525 CD GLU B 18 1.153 -23.751 -4.358 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.279 -23.685 -4.897 1.00 2.32 O ATOM 1527 OE2 GLU B 18 0.142 -23.201 -4.843 1.00 2.71 O ATOM 0 H GLU B 18 0.336 -21.636 -2.573 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.386 -23.859 -0.813 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.203 -23.017 -2.156 1.00 0.73 H new ATOM 0 HB3 GLU B 18 2.007 -24.457 -1.177 1.00 0.73 H new ATOM 0 HG2 GLU B 18 1.582 -25.468 -3.158 1.00 1.05 H new ATOM 0 HG3 GLU B 18 -0.033 -24.826 -2.940 1.00 1.05 H new ATOM 1534 N PRO B 19 0.957 -23.221 1.311 1.00 0.79 N ATOM 1535 CA PRO B 19 1.447 -22.705 2.593 1.00 0.90 C ATOM 1536 C PRO B 19 2.795 -21.991 2.470 1.00 0.88 C ATOM 1537 O PRO B 19 3.062 -21.021 3.178 1.00 0.99 O ATOM 1538 CB PRO B 19 1.571 -23.953 3.483 1.00 1.03 C ATOM 1539 CG PRO B 19 1.350 -25.127 2.583 1.00 1.09 C ATOM 1540 CD PRO B 19 0.550 -24.628 1.414 1.00 0.88 C ATOM 0 HA PRO B 19 0.770 -21.953 2.999 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.554 -24.001 3.952 1.00 1.03 H new ATOM 0 HB3 PRO B 19 0.835 -23.934 4.286 1.00 1.03 H new ATOM 0 HG2 PRO B 19 2.300 -25.545 2.252 1.00 1.09 H new ATOM 0 HG3 PRO B 19 0.817 -25.921 3.106 1.00 1.09 H new ATOM 0 HD2 PRO B 19 0.778 -25.182 0.503 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.522 -24.726 1.587 1.00 0.88 H new ATOM 1548 N SER B 20 3.638 -22.463 1.561 1.00 0.82 N ATOM 1549 CA SER B 20 4.949 -21.863 1.358 1.00 0.88 C ATOM 1550 C SER B 20 5.004 -21.053 0.062 1.00 0.86 C ATOM 1551 O SER B 20 6.078 -20.868 -0.515 1.00 0.90 O ATOM 1552 CB SER B 20 6.014 -22.956 1.339 1.00 0.92 C ATOM 1553 OG SER B 20 5.677 -24.003 2.237 1.00 0.87 O ATOM 0 H SER B 20 3.438 -23.258 0.954 1.00 0.82 H new ATOM 0 HA SER B 20 5.140 -21.177 2.183 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.115 -23.355 0.330 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.981 -22.533 1.612 1.00 0.92 H new ATOM 0 HG SER B 20 6.371 -24.694 2.209 1.00 0.87 H new ATOM 1559 N ASP B 21 3.852 -20.571 -0.394 1.00 0.81 N ATOM 1560 CA ASP B 21 3.786 -19.777 -1.619 1.00 0.80 C ATOM 1561 C ASP B 21 4.492 -18.437 -1.430 1.00 0.82 C ATOM 1562 O ASP B 21 4.725 -18.003 -0.297 1.00 0.83 O ATOM 1563 CB ASP B 21 2.328 -19.542 -2.024 1.00 0.75 C ATOM 1564 CG ASP B 21 2.134 -19.509 -3.526 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.106 -19.199 -4.248 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.014 -19.804 -3.991 1.00 1.08 O ATOM 0 H ASP B 21 2.952 -20.715 0.064 1.00 0.81 H new ATOM 0 HA ASP B 21 4.290 -20.331 -2.411 1.00 0.80 H new ATOM 0 HB2 ASP B 21 1.706 -20.330 -1.599 1.00 0.75 H new ATOM 0 HB3 ASP B 21 1.984 -18.600 -1.597 1.00 0.75 H new ATOM 1571 N THR B 22 4.802 -17.773 -2.534 1.00 0.85 N ATOM 1572 CA THR B 22 5.489 -16.491 -2.493 1.00 0.89 C ATOM 1573 C THR B 22 4.521 -15.361 -2.818 1.00 0.79 C ATOM 1574 O THR B 22 3.585 -15.549 -3.593 1.00 0.73 O ATOM 1575 CB THR B 22 6.664 -16.452 -3.492 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.498 -17.478 -4.481 1.00 1.11 O ATOM 1577 CG2 THR B 22 7.994 -16.642 -2.779 1.00 1.20 C ATOM 0 H THR B 22 4.587 -18.104 -3.475 1.00 0.85 H new ATOM 0 HA THR B 22 5.882 -16.362 -1.484 1.00 0.89 H new ATOM 0 HB THR B 22 6.667 -15.475 -3.974 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.246 -17.447 -5.113 1.00 1.11 H new ATOM 0 HG21 THR B 22 8.805 -16.610 -3.507 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.132 -15.846 -2.047 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.000 -17.606 -2.271 1.00 1.20 H new ATOM 1585 N ILE B 23 4.752 -14.192 -2.229 1.00 0.80 N ATOM 1586 CA ILE B 23 3.895 -13.033 -2.463 1.00 0.73 C ATOM 1587 C ILE B 23 3.850 -12.687 -3.952 1.00 0.72 C ATOM 1588 O ILE B 23 2.789 -12.382 -4.499 1.00 0.66 O ATOM 1589 CB ILE B 23 4.378 -11.810 -1.649 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.301 -12.104 -0.146 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.559 -10.570 -1.992 1.00 0.70 C ATOM 1592 CD1 ILE B 23 2.900 -12.379 0.358 1.00 0.80 C ATOM 0 H ILE B 23 5.525 -14.021 -1.586 1.00 0.80 H new ATOM 0 HA ILE B 23 2.889 -13.291 -2.131 1.00 0.73 H new ATOM 0 HB ILE B 23 5.417 -11.614 -1.913 1.00 0.78 H new ATOM 0 HG12 ILE B 23 4.932 -12.964 0.078 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.713 -11.256 0.401 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.918 -9.723 -1.407 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.663 -10.347 -3.054 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.509 -10.752 -1.761 1.00 0.70 H new ATOM 0 HD11 ILE B 23 2.931 -12.578 1.429 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.268 -11.511 0.168 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.491 -13.246 -0.160 1.00 0.80 H new ATOM 1604 N GLU B 24 5.007 -12.762 -4.603 1.00 0.80 N ATOM 1605 CA GLU B 24 5.111 -12.477 -6.030 1.00 0.84 C ATOM 1606 C GLU B 24 4.251 -13.451 -6.835 1.00 0.80 C ATOM 1607 O GLU B 24 3.605 -13.067 -7.811 1.00 0.80 O ATOM 1608 CB GLU B 24 6.572 -12.567 -6.483 1.00 0.98 C ATOM 1609 CG GLU B 24 6.842 -11.928 -7.838 1.00 1.20 C ATOM 1610 CD GLU B 24 6.772 -10.414 -7.795 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.614 -9.793 -7.116 1.00 3.05 O ATOM 1612 OE2 GLU B 24 5.876 -9.835 -8.445 1.00 2.73 O ATOM 0 H GLU B 24 5.890 -13.019 -4.162 1.00 0.80 H new ATOM 0 HA GLU B 24 4.748 -11.465 -6.207 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.204 -12.088 -5.735 1.00 0.98 H new ATOM 0 HB3 GLU B 24 6.865 -13.616 -6.523 1.00 0.98 H new ATOM 0 HG2 GLU B 24 7.828 -12.232 -8.189 1.00 1.20 H new ATOM 0 HG3 GLU B 24 6.117 -12.301 -8.562 1.00 1.20 H new ATOM 1619 N ASN B 25 4.225 -14.707 -6.398 1.00 0.80 N ATOM 1620 CA ASN B 25 3.450 -15.740 -7.079 1.00 0.79 C ATOM 1621 C ASN B 25 1.959 -15.521 -6.870 1.00 0.71 C ATOM 1622 O ASN B 25 1.161 -15.762 -7.773 1.00 0.72 O ATOM 1623 CB ASN B 25 3.832 -17.131 -6.577 1.00 0.80 C ATOM 1624 CG ASN B 25 3.310 -18.236 -7.481 1.00 0.84 C ATOM 1625 OD1 ASN B 25 3.325 -18.116 -8.707 1.00 1.06 O ATOM 1626 ND2 ASN B 25 2.830 -19.311 -6.884 1.00 1.12 N ATOM 0 H ASN B 25 4.732 -15.034 -5.575 1.00 0.80 H new ATOM 0 HA ASN B 25 3.677 -15.672 -8.143 1.00 0.79 H new ATOM 0 HB2 ASN B 25 4.917 -17.204 -6.508 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.438 -17.272 -5.570 1.00 0.80 H new ATOM 0 HD21 ASN B 25 2.455 -20.079 -7.441 1.00 1.12 H new ATOM 0 HD22 ASN B 25 2.835 -19.374 -5.866 1.00 1.12 H new ATOM 1633 N VAL B 26 1.586 -15.073 -5.673 1.00 0.67 N ATOM 1634 CA VAL B 26 0.183 -14.806 -5.360 1.00 0.60 C ATOM 1635 C VAL B 26 -0.372 -13.782 -6.342 1.00 0.58 C ATOM 1636 O VAL B 26 -1.457 -13.957 -6.897 1.00 0.58 O ATOM 1637 CB VAL B 26 0.005 -14.287 -3.915 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.454 -13.945 -3.634 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.510 -15.313 -2.913 1.00 0.62 C ATOM 0 H VAL B 26 2.233 -14.888 -4.906 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.363 -15.745 -5.447 1.00 0.60 H new ATOM 0 HB VAL B 26 0.595 -13.377 -3.809 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.552 -13.582 -2.611 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.786 -13.172 -4.327 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -2.068 -14.836 -3.763 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.376 -14.930 -1.901 1.00 0.62 H new ATOM 0 HG22 VAL B 26 -0.052 -16.240 -3.027 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.568 -15.506 -3.091 1.00 0.62 H new ATOM 1649 N LYS B 27 0.404 -12.732 -6.573 1.00 0.60 N ATOM 1650 CA LYS B 27 0.022 -11.680 -7.501 1.00 0.60 C ATOM 1651 C LYS B 27 -0.031 -12.225 -8.925 1.00 0.62 C ATOM 1652 O LYS B 27 -0.870 -11.817 -9.729 1.00 0.61 O ATOM 1653 CB LYS B 27 1.017 -10.526 -7.433 1.00 0.64 C ATOM 1654 CG LYS B 27 1.201 -9.950 -6.040 1.00 0.59 C ATOM 1655 CD LYS B 27 2.188 -8.792 -6.042 1.00 0.66 C ATOM 1656 CE LYS B 27 3.590 -9.255 -6.399 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.472 -8.125 -6.780 1.00 0.99 N ATOM 0 H LYS B 27 1.309 -12.587 -6.126 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.966 -11.316 -7.220 1.00 0.60 H new ATOM 0 HB2 LYS B 27 1.983 -10.870 -7.803 1.00 0.64 H new ATOM 0 HB3 LYS B 27 0.684 -9.733 -8.102 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.239 -9.609 -5.656 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.555 -10.730 -5.366 1.00 0.59 H new ATOM 0 HD2 LYS B 27 1.861 -8.035 -6.755 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.199 -8.320 -5.059 1.00 0.66 H new ATOM 0 HE2 LYS B 27 4.024 -9.782 -5.550 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.537 -9.967 -7.223 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 5.280 -8.485 -7.327 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 3.937 -7.447 -7.359 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 4.818 -7.650 -5.922 1.00 0.99 H new ATOM 1671 N ALA B 28 0.859 -13.168 -9.220 1.00 0.67 N ATOM 1672 CA ALA B 28 0.924 -13.778 -10.541 1.00 0.73 C ATOM 1673 C ALA B 28 -0.310 -14.632 -10.785 1.00 0.71 C ATOM 1674 O ALA B 28 -0.806 -14.725 -11.909 1.00 0.74 O ATOM 1675 CB ALA B 28 2.189 -14.613 -10.683 1.00 0.81 C ATOM 0 H ALA B 28 1.547 -13.526 -8.558 1.00 0.67 H new ATOM 0 HA ALA B 28 0.953 -12.986 -11.289 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.220 -15.061 -11.676 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.063 -13.976 -10.545 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.191 -15.401 -9.930 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.809 -15.250 -9.722 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.000 -16.079 -9.813 1.00 0.70 C ATOM 1683 C LYS B 29 -3.211 -15.197 -10.069 1.00 0.70 C ATOM 1684 O LYS B 29 -4.103 -15.554 -10.841 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.185 -16.902 -8.536 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.165 -18.019 -8.390 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.334 -18.777 -7.083 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.510 -20.054 -7.079 1.00 0.84 C ATOM 1689 NZ LYS B 29 -0.600 -20.774 -5.784 1.00 1.26 N ATOM 0 H LYS B 29 -0.406 -15.192 -8.787 1.00 0.68 H new ATOM 0 HA LYS B 29 -1.888 -16.777 -10.643 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.116 -16.241 -7.672 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.187 -17.331 -8.530 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -1.263 -18.711 -9.226 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.160 -17.601 -8.439 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.031 -18.143 -6.250 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.386 -19.019 -6.933 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -0.852 -20.708 -7.881 1.00 0.84 H new ATOM 0 HE3 LYS B 29 0.532 -19.813 -7.287 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 -0.137 -21.701 -5.869 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 -0.127 -20.217 -5.044 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 -1.600 -20.909 -5.530 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.231 -14.032 -9.424 1.00 0.65 N ATOM 1704 CA ILE B 30 -4.313 -13.074 -9.605 1.00 0.67 C ATOM 1705 C ILE B 30 -4.312 -12.542 -11.040 1.00 0.70 C ATOM 1706 O ILE B 30 -5.349 -12.146 -11.571 1.00 0.72 O ATOM 1707 CB ILE B 30 -4.195 -11.896 -8.605 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -4.276 -12.417 -7.167 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -5.279 -10.854 -8.857 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -4.021 -11.360 -6.115 1.00 0.67 C ATOM 0 H ILE B 30 -2.508 -13.731 -8.771 1.00 0.65 H new ATOM 0 HA ILE B 30 -5.253 -13.590 -9.412 1.00 0.67 H new ATOM 0 HB ILE B 30 -3.228 -11.416 -8.753 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -5.264 -12.848 -7.003 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.552 -13.222 -7.042 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -5.173 -10.038 -8.142 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -5.180 -10.463 -9.870 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -6.260 -11.314 -8.740 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -4.096 -11.807 -5.124 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -3.022 -10.945 -6.251 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.761 -10.565 -6.211 1.00 0.67 H new ATOM 1722 N GLN B 31 -3.147 -12.571 -11.675 1.00 0.74 N ATOM 1723 CA GLN B 31 -3.011 -12.110 -13.049 1.00 0.80 C ATOM 1724 C GLN B 31 -3.713 -13.079 -13.997 1.00 0.88 C ATOM 1725 O GLN B 31 -4.208 -12.691 -15.051 1.00 0.90 O ATOM 1726 CB GLN B 31 -1.536 -11.971 -13.427 1.00 0.83 C ATOM 1727 CG GLN B 31 -1.322 -11.467 -14.844 1.00 0.92 C ATOM 1728 CD GLN B 31 0.136 -11.218 -15.164 1.00 0.95 C ATOM 1729 OE1 GLN B 31 1.027 -11.869 -14.616 1.00 1.10 O ATOM 1730 NE2 GLN B 31 0.392 -10.277 -16.055 1.00 1.26 N ATOM 0 H GLN B 31 -2.280 -12.910 -11.258 1.00 0.74 H new ATOM 0 HA GLN B 31 -3.480 -11.130 -13.135 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -1.052 -11.287 -12.729 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -1.047 -12.939 -13.316 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -1.725 -12.195 -15.548 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -1.883 -10.543 -14.985 1.00 0.92 H new ATOM 0 HE21 GLN B 31 -0.375 -9.761 -16.486 1.00 1.26 H new ATOM 0 HE22 GLN B 31 1.356 -10.067 -16.312 1.00 1.26 H new ATOM 1739 N ASP B 32 -3.765 -14.342 -13.602 1.00 0.95 N ATOM 1740 CA ASP B 32 -4.423 -15.363 -14.410 1.00 1.04 C ATOM 1741 C ASP B 32 -5.911 -15.411 -14.086 1.00 1.07 C ATOM 1742 O ASP B 32 -6.677 -16.130 -14.721 1.00 1.20 O ATOM 1743 CB ASP B 32 -3.792 -16.737 -14.176 1.00 1.03 C ATOM 1744 CG ASP B 32 -2.522 -16.936 -14.977 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -2.488 -16.540 -16.162 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -1.549 -17.492 -14.426 1.00 2.04 O ATOM 0 H ASP B 32 -3.362 -14.686 -12.730 1.00 0.95 H new ATOM 0 HA ASP B 32 -4.294 -15.101 -15.460 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -3.571 -16.856 -13.115 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -4.510 -17.513 -14.441 1.00 1.03 H new ATOM 1751 N LYS B 33 -6.303 -14.646 -13.080 1.00 0.98 N ATOM 1752 CA LYS B 33 -7.696 -14.581 -12.664 1.00 1.04 C ATOM 1753 C LYS B 33 -8.298 -13.229 -13.050 1.00 1.03 C ATOM 1754 O LYS B 33 -9.050 -13.126 -14.015 1.00 1.08 O ATOM 1755 CB LYS B 33 -7.805 -14.812 -11.149 1.00 0.98 C ATOM 1756 CG LYS B 33 -9.197 -15.213 -10.676 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.571 -16.610 -11.150 1.00 1.27 C ATOM 1758 CE LYS B 33 -10.752 -17.175 -10.370 1.00 1.92 C ATOM 1759 NZ LYS B 33 -10.357 -17.661 -9.019 1.00 2.27 N ATOM 0 H LYS B 33 -5.673 -14.058 -12.534 1.00 0.98 H new ATOM 0 HA LYS B 33 -8.257 -15.365 -13.174 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -7.097 -15.589 -10.860 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -7.506 -13.900 -10.632 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -9.237 -15.175 -9.587 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -9.928 -14.495 -11.047 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -9.817 -16.580 -12.211 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -8.713 -17.273 -11.041 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -11.518 -16.406 -10.267 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -11.197 -17.995 -10.933 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -11.084 -18.311 -8.658 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -9.447 -18.160 -9.082 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -10.264 -16.852 -8.372 1.00 2.27 H new ATOM 1773 N GLU B 34 -7.965 -12.199 -12.279 1.00 0.99 N ATOM 1774 CA GLU B 34 -8.459 -10.843 -12.524 1.00 0.98 C ATOM 1775 C GLU B 34 -7.666 -10.123 -13.617 1.00 0.99 C ATOM 1776 O GLU B 34 -8.024 -9.014 -14.019 1.00 0.99 O ATOM 1777 CB GLU B 34 -8.400 -10.030 -11.235 1.00 0.91 C ATOM 1778 CG GLU B 34 -9.280 -10.582 -10.130 1.00 0.92 C ATOM 1779 CD GLU B 34 -10.732 -10.679 -10.540 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -11.350 -9.630 -10.809 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -11.264 -11.806 -10.596 1.00 1.20 O ATOM 0 H GLU B 34 -7.349 -12.277 -11.470 1.00 0.99 H new ATOM 0 HA GLU B 34 -9.490 -10.932 -12.868 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -7.369 -9.995 -10.884 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.699 -9.004 -11.448 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.920 -11.570 -9.843 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -9.196 -9.944 -9.250 1.00 0.92 H new ATOM 1788 N GLY B 35 -6.593 -10.745 -14.086 1.00 1.00 N ATOM 1789 CA GLY B 35 -5.778 -10.148 -15.133 1.00 1.02 C ATOM 1790 C GLY B 35 -4.963 -8.954 -14.669 1.00 0.97 C ATOM 1791 O GLY B 35 -4.459 -8.188 -15.491 1.00 1.00 O ATOM 0 H GLY B 35 -6.269 -11.656 -13.761 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -5.102 -10.905 -15.531 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -6.426 -9.837 -15.952 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.849 -8.774 -13.361 1.00 0.89 N ATOM 1796 CA ILE B 36 -4.083 -7.661 -12.814 1.00 0.84 C ATOM 1797 C ILE B 36 -2.593 -7.998 -12.770 1.00 0.83 C ATOM 1798 O ILE B 36 -2.203 -9.004 -12.185 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.555 -7.289 -11.390 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -6.082 -7.198 -11.336 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.930 -5.969 -10.952 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.631 -7.060 -9.934 1.00 0.81 C ATOM 0 H ILE B 36 -5.275 -9.381 -12.660 1.00 0.89 H new ATOM 0 HA ILE B 36 -4.248 -6.809 -13.473 1.00 0.84 H new ATOM 0 HB ILE B 36 -4.232 -8.073 -10.705 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -6.408 -6.345 -11.930 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.507 -8.089 -11.798 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -4.272 -5.720 -9.947 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.844 -6.063 -10.953 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -4.227 -5.179 -11.642 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.719 -7.001 -9.973 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.336 -7.925 -9.341 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -6.235 -6.154 -9.476 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.745 -7.182 -13.411 1.00 0.87 N ATOM 1815 CA PRO B 37 -0.291 -7.396 -13.418 1.00 0.88 C ATOM 1816 C PRO B 37 0.315 -7.313 -12.010 1.00 0.79 C ATOM 1817 O PRO B 37 0.013 -6.392 -11.251 1.00 0.71 O ATOM 1818 CB PRO B 37 0.238 -6.259 -14.297 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.936 -5.810 -15.096 1.00 1.01 C ATOM 1820 CD PRO B 37 -2.128 -6.009 -14.211 1.00 0.93 C ATOM 0 HA PRO B 37 -0.029 -8.388 -13.785 1.00 0.88 H new ATOM 0 HB2 PRO B 37 0.638 -5.445 -13.692 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.046 -6.603 -14.942 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.835 -4.765 -15.387 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -1.029 -6.389 -16.015 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -2.318 -5.137 -13.585 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -3.035 -6.191 -14.788 1.00 0.93 H new ATOM 1828 N PRO B 38 1.185 -8.276 -11.654 1.00 0.82 N ATOM 1829 CA PRO B 38 1.831 -8.342 -10.330 1.00 0.76 C ATOM 1830 C PRO B 38 2.607 -7.080 -9.946 1.00 0.72 C ATOM 1831 O PRO B 38 2.764 -6.778 -8.759 1.00 0.67 O ATOM 1832 CB PRO B 38 2.798 -9.521 -10.464 1.00 0.86 C ATOM 1833 CG PRO B 38 2.229 -10.359 -11.552 1.00 0.95 C ATOM 1834 CD PRO B 38 1.594 -9.401 -12.516 1.00 0.93 C ATOM 0 HA PRO B 38 1.082 -8.448 -9.545 1.00 0.76 H new ATOM 0 HB2 PRO B 38 3.804 -9.181 -10.712 1.00 0.86 H new ATOM 0 HB3 PRO B 38 2.871 -10.080 -9.531 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.006 -10.947 -12.040 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.495 -11.063 -11.160 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.295 -9.083 -13.288 1.00 0.93 H new ATOM 0 HD3 PRO B 38 0.741 -9.849 -13.025 1.00 0.93 H new ATOM 1842 N ASP B 39 3.090 -6.346 -10.939 1.00 0.79 N ATOM 1843 CA ASP B 39 3.857 -5.127 -10.685 1.00 0.82 C ATOM 1844 C ASP B 39 2.947 -3.985 -10.253 1.00 0.72 C ATOM 1845 O ASP B 39 3.404 -3.000 -9.673 1.00 0.76 O ATOM 1846 CB ASP B 39 4.660 -4.720 -11.922 1.00 0.97 C ATOM 1847 CG ASP B 39 3.789 -4.264 -13.075 1.00 1.25 C ATOM 1848 OD1 ASP B 39 3.065 -5.103 -13.645 1.00 1.92 O ATOM 1849 OD2 ASP B 39 3.840 -3.069 -13.428 1.00 1.76 O ATOM 0 H ASP B 39 2.967 -6.570 -11.926 1.00 0.79 H new ATOM 0 HA ASP B 39 4.552 -5.339 -9.872 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.346 -3.917 -11.654 1.00 0.97 H new ATOM 0 HB3 ASP B 39 5.268 -5.564 -12.246 1.00 0.97 H new ATOM 1854 N GLN B 40 1.661 -4.131 -10.518 1.00 0.64 N ATOM 1855 CA GLN B 40 0.689 -3.111 -10.156 1.00 0.59 C ATOM 1856 C GLN B 40 -0.114 -3.558 -8.941 1.00 0.52 C ATOM 1857 O GLN B 40 -1.090 -2.915 -8.552 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.235 -2.815 -11.340 1.00 0.63 C ATOM 1859 CG GLN B 40 0.400 -1.922 -12.396 1.00 0.74 C ATOM 1860 CD GLN B 40 -0.399 -1.876 -13.683 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -1.327 -1.081 -13.825 1.00 1.81 O ATOM 1862 NE2 GLN B 40 -0.038 -2.718 -14.635 1.00 1.91 N ATOM 0 H GLN B 40 1.264 -4.947 -10.983 1.00 0.64 H new ATOM 0 HA GLN B 40 1.219 -2.194 -9.899 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.533 -3.756 -11.802 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.144 -2.339 -10.972 1.00 0.63 H new ATOM 0 HG2 GLN B 40 0.499 -0.912 -11.999 1.00 0.74 H new ATOM 0 HG3 GLN B 40 1.407 -2.281 -12.611 1.00 0.74 H new ATOM 0 HE21 GLN B 40 0.737 -3.362 -14.479 1.00 1.91 H new ATOM 0 HE22 GLN B 40 -0.534 -2.724 -15.526 1.00 1.91 H new ATOM 1871 N GLN B 41 0.323 -4.655 -8.336 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.342 -5.212 -7.169 1.00 0.42 C ATOM 1873 C GLN B 41 0.504 -5.043 -5.915 1.00 0.46 C ATOM 1874 O GLN B 41 1.697 -5.351 -5.916 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.592 -6.704 -7.357 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.594 -7.062 -8.433 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.962 -8.529 -8.365 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -2.061 -9.102 -7.285 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -2.137 -9.155 -9.513 1.00 0.74 N ATOM 0 H GLN B 41 1.143 -5.180 -8.639 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.284 -4.675 -7.056 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.356 -7.188 -7.591 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.936 -7.120 -6.410 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -2.490 -6.453 -8.317 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -1.177 -6.833 -9.414 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -2.046 -8.644 -10.391 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -2.363 -10.150 -9.522 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.101 -4.520 -4.862 1.00 0.36 N ATOM 1889 CA ARG B 42 0.584 -4.374 -3.586 1.00 0.39 C ATOM 1890 C ARG B 42 -0.215 -5.085 -2.502 1.00 0.37 C ATOM 1891 O ARG B 42 -1.359 -4.720 -2.226 1.00 0.43 O ATOM 1892 CB ARG B 42 0.770 -2.901 -3.221 1.00 0.50 C ATOM 1893 CG ARG B 42 1.741 -2.157 -4.123 1.00 0.95 C ATOM 1894 CD ARG B 42 3.130 -2.772 -4.078 1.00 1.32 C ATOM 1895 NE ARG B 42 4.061 -2.069 -4.952 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.396 -2.481 -6.174 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.867 -3.588 -6.685 1.00 3.02 N ATOM 1898 NH2 ARG B 42 5.256 -1.777 -6.892 1.00 3.22 N ATOM 0 H ARG B 42 -1.066 -4.189 -4.864 1.00 0.36 H new ATOM 0 HA ARG B 42 1.574 -4.823 -3.670 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.199 -2.403 -3.259 1.00 0.50 H new ATOM 0 HB3 ARG B 42 1.123 -2.834 -2.192 1.00 0.50 H new ATOM 0 HG2 ARG B 42 1.370 -2.170 -5.148 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.795 -1.112 -3.817 1.00 0.95 H new ATOM 0 HD2 ARG B 42 3.505 -2.750 -3.055 1.00 1.32 H new ATOM 0 HD3 ARG B 42 3.074 -3.820 -4.374 1.00 1.32 H new ATOM 0 HE ARG B 42 4.483 -1.207 -4.606 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.197 -4.132 -6.141 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.131 -3.894 -7.622 1.00 3.02 H new ATOM 0 HH21 ARG B 42 5.660 -0.922 -6.510 1.00 3.22 H new ATOM 0 HH22 ARG B 42 5.515 -2.089 -7.828 1.00 3.22 H new ATOM 1912 N LEU B 43 0.383 -6.103 -1.899 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.290 -6.873 -0.864 1.00 0.41 C ATOM 1914 C LEU B 43 -0.077 -6.261 0.512 1.00 0.41 C ATOM 1915 O LEU B 43 1.046 -5.918 0.892 1.00 0.45 O ATOM 1916 CB LEU B 43 0.193 -8.327 -0.876 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.681 -9.306 -1.672 1.00 0.64 C ATOM 1918 CD1 LEU B 43 -2.094 -9.347 -1.111 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -0.701 -8.936 -3.148 1.00 0.85 C ATOM 0 H LEU B 43 1.332 -6.414 -2.109 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.358 -6.853 -1.080 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.203 -8.353 -1.285 1.00 0.46 H new ATOM 0 HB3 LEU B 43 0.257 -8.679 0.154 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.247 -10.301 -1.576 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -2.695 -10.047 -1.691 1.00 1.33 H new ATOM 0 HD12 LEU B 43 -2.063 -9.670 -0.070 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -2.538 -8.353 -1.169 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -1.327 -9.644 -3.692 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -1.104 -7.930 -3.266 1.00 0.85 H new ATOM 0 HD23 LEU B 43 0.314 -8.969 -3.545 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.169 -6.123 1.246 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.143 -5.559 2.585 1.00 0.43 C ATOM 1933 C ILE B 44 -1.769 -6.543 3.566 1.00 0.45 C ATOM 1934 O ILE B 44 -2.774 -7.189 3.253 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.918 -4.220 2.664 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -1.555 -3.292 1.496 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.651 -3.530 3.995 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -0.108 -2.841 1.487 1.00 1.03 C ATOM 0 H ILE B 44 -2.099 -6.399 0.930 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.100 -5.369 2.839 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.982 -4.445 2.591 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -1.770 -3.805 0.559 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -2.198 -2.412 1.532 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.203 -2.591 4.035 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -1.975 -4.176 4.811 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.584 -3.329 4.093 1.00 0.52 H new ATOM 0 HD11 ILE B 44 0.065 -2.189 0.631 1.00 1.03 H new ATOM 0 HD12 ILE B 44 0.109 -2.297 2.406 1.00 1.03 H new ATOM 0 HD13 ILE B 44 0.544 -3.712 1.418 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.177 -6.667 4.741 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.694 -7.565 5.757 1.00 0.52 C ATOM 1952 C PHE B 45 -1.628 -6.904 7.126 1.00 0.58 C ATOM 1953 O PHE B 45 -0.551 -6.552 7.602 1.00 0.57 O ATOM 1954 CB PHE B 45 -0.919 -8.883 5.763 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.671 -10.022 6.396 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -2.918 -10.400 5.918 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -1.133 -10.717 7.465 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.609 -11.448 6.496 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.822 -11.766 8.046 1.00 1.31 C ATOM 1960 CZ PHE B 45 -3.061 -12.129 7.560 1.00 0.97 C ATOM 0 H PHE B 45 -0.337 -6.157 5.015 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.736 -7.785 5.523 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -0.667 -9.151 4.737 1.00 0.64 H new ATOM 0 HB3 PHE B 45 0.021 -8.739 6.295 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.353 -9.869 5.085 1.00 0.92 H new ATOM 0 HD2 PHE B 45 -0.164 -10.437 7.850 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.578 -11.733 6.113 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -1.390 -12.300 8.879 1.00 1.31 H new ATOM 0 HZ PHE B 45 -3.601 -12.947 8.014 1.00 0.97 H new ATOM 1970 N ALA B 46 -2.795 -6.740 7.742 1.00 0.75 N ATOM 1971 CA ALA B 46 -2.922 -6.118 9.063 1.00 0.94 C ATOM 1972 C ALA B 46 -2.157 -4.793 9.175 1.00 0.87 C ATOM 1973 O ALA B 46 -1.604 -4.475 10.228 1.00 0.92 O ATOM 1974 CB ALA B 46 -2.458 -7.091 10.138 1.00 1.07 C ATOM 0 H ALA B 46 -3.685 -7.035 7.340 1.00 0.75 H new ATOM 0 HA ALA B 46 -3.976 -5.881 9.208 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -2.554 -6.624 11.118 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -3.072 -7.991 10.103 1.00 1.07 H new ATOM 0 HB3 ALA B 46 -1.415 -7.356 9.963 1.00 1.07 H new ATOM 1980 N GLY B 47 -2.141 -4.013 8.100 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.447 -2.733 8.121 1.00 0.87 C ATOM 1982 C GLY B 47 0.023 -2.817 7.750 1.00 0.74 C ATOM 1983 O GLY B 47 0.712 -1.797 7.698 1.00 0.85 O ATOM 0 H GLY B 47 -2.594 -4.241 7.215 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -1.946 -2.051 7.433 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.535 -2.301 9.118 1.00 0.87 H new ATOM 1987 N LYS B 48 0.506 -4.018 7.490 1.00 0.58 N ATOM 1988 CA LYS B 48 1.899 -4.213 7.119 1.00 0.54 C ATOM 1989 C LYS B 48 2.002 -4.566 5.641 1.00 0.51 C ATOM 1990 O LYS B 48 1.210 -5.360 5.132 1.00 0.55 O ATOM 1991 CB LYS B 48 2.521 -5.324 7.976 1.00 0.56 C ATOM 1992 CG LYS B 48 3.939 -5.710 7.569 1.00 1.38 C ATOM 1993 CD LYS B 48 4.916 -4.563 7.772 1.00 1.44 C ATOM 1994 CE LYS B 48 6.352 -4.999 7.523 1.00 2.31 C ATOM 1995 NZ LYS B 48 6.698 -5.000 6.075 1.00 2.94 N ATOM 0 H LYS B 48 -0.045 -4.875 7.528 1.00 0.58 H new ATOM 0 HA LYS B 48 2.446 -3.287 7.296 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.529 -5.002 9.017 1.00 0.56 H new ATOM 0 HB3 LYS B 48 1.886 -6.208 7.921 1.00 0.56 H new ATOM 0 HG2 LYS B 48 4.263 -6.571 8.153 1.00 1.38 H new ATOM 0 HG3 LYS B 48 3.947 -6.013 6.522 1.00 1.38 H new ATOM 0 HD2 LYS B 48 4.662 -3.744 7.099 1.00 1.44 H new ATOM 0 HD3 LYS B 48 4.822 -4.180 8.788 1.00 1.44 H new ATOM 0 HE2 LYS B 48 7.030 -4.332 8.056 1.00 2.31 H new ATOM 0 HE3 LYS B 48 6.502 -5.999 7.931 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 7.509 -5.631 5.912 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 5.882 -5.335 5.523 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 6.945 -4.035 5.776 1.00 2.94 H new ATOM 2006 N GLN B 49 2.956 -3.957 4.953 1.00 0.54 N ATOM 2007 CA GLN B 49 3.161 -4.232 3.540 1.00 0.54 C ATOM 2008 C GLN B 49 3.893 -5.558 3.387 1.00 0.54 C ATOM 2009 O GLN B 49 4.867 -5.820 4.093 1.00 0.66 O ATOM 2010 CB GLN B 49 3.946 -3.098 2.878 1.00 0.61 C ATOM 2011 CG GLN B 49 3.546 -2.854 1.430 1.00 0.91 C ATOM 2012 CD GLN B 49 4.226 -3.798 0.462 1.00 1.34 C ATOM 2013 OE1 GLN B 49 5.406 -4.112 0.607 1.00 1.56 O ATOM 2014 NE2 GLN B 49 3.479 -4.278 -0.519 1.00 2.24 N ATOM 0 H GLN B 49 3.599 -3.271 5.349 1.00 0.54 H new ATOM 0 HA GLN B 49 2.193 -4.299 3.043 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.797 -2.181 3.448 1.00 0.61 H new ATOM 0 HB3 GLN B 49 5.010 -3.330 2.920 1.00 0.61 H new ATOM 0 HG2 GLN B 49 2.465 -2.961 1.334 1.00 0.91 H new ATOM 0 HG3 GLN B 49 3.790 -1.827 1.159 1.00 0.91 H new ATOM 0 HE21 GLN B 49 2.504 -3.992 -0.604 1.00 2.24 H new ATOM 0 HE22 GLN B 49 3.879 -4.934 -1.190 1.00 2.24 H new ATOM 2023 N LEU B 50 3.414 -6.393 2.482 1.00 0.60 N ATOM 2024 CA LEU B 50 4.009 -7.702 2.260 1.00 0.66 C ATOM 2025 C LEU B 50 5.065 -7.658 1.166 1.00 0.68 C ATOM 2026 O LEU B 50 4.761 -7.365 0.007 1.00 0.66 O ATOM 2027 CB LEU B 50 2.919 -8.709 1.882 1.00 0.70 C ATOM 2028 CG LEU B 50 2.276 -9.481 3.044 1.00 1.06 C ATOM 2029 CD1 LEU B 50 2.211 -8.634 4.305 1.00 1.76 C ATOM 2030 CD2 LEU B 50 0.883 -9.944 2.649 1.00 1.23 C ATOM 0 H LEU B 50 2.612 -6.188 1.886 1.00 0.60 H new ATOM 0 HA LEU B 50 4.494 -8.011 3.186 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.132 -8.177 1.347 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.346 -9.431 1.186 1.00 0.70 H new ATOM 0 HG LEU B 50 2.898 -10.350 3.259 1.00 1.06 H new ATOM 0 HD11 LEU B 50 1.751 -9.211 5.107 1.00 1.76 H new ATOM 0 HD12 LEU B 50 3.219 -8.343 4.600 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.617 -7.741 4.113 1.00 1.76 H new ATOM 0 HD21 LEU B 50 0.433 -10.491 3.478 1.00 1.23 H new ATOM 0 HD22 LEU B 50 0.266 -9.078 2.408 1.00 1.23 H new ATOM 0 HD23 LEU B 50 0.950 -10.596 1.778 1.00 1.23 H new ATOM 2042 N GLU B 51 6.310 -7.926 1.547 1.00 0.75 N ATOM 2043 CA GLU B 51 7.408 -7.956 0.599 1.00 0.83 C ATOM 2044 C GLU B 51 7.149 -9.041 -0.441 1.00 0.76 C ATOM 2045 O GLU B 51 6.904 -10.198 -0.097 1.00 0.70 O ATOM 2046 CB GLU B 51 8.730 -8.202 1.336 1.00 1.00 C ATOM 2047 CG GLU B 51 9.927 -8.469 0.428 1.00 1.33 C ATOM 2048 CD GLU B 51 10.115 -7.401 -0.628 1.00 1.68 C ATOM 2049 OE1 GLU B 51 10.521 -6.272 -0.277 1.00 2.36 O ATOM 2050 OE2 GLU B 51 9.849 -7.681 -1.808 1.00 2.14 O ATOM 0 H GLU B 51 6.580 -8.126 2.510 1.00 0.75 H new ATOM 0 HA GLU B 51 7.481 -6.995 0.089 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.950 -7.335 1.958 1.00 1.00 H new ATOM 0 HB3 GLU B 51 8.603 -9.052 2.007 1.00 1.00 H new ATOM 0 HG2 GLU B 51 10.830 -8.535 1.035 1.00 1.33 H new ATOM 0 HG3 GLU B 51 9.799 -9.436 -0.059 1.00 1.33 H new ATOM 2057 N ASP B 52 7.227 -8.657 -1.705 1.00 0.84 N ATOM 2058 CA ASP B 52 6.973 -9.561 -2.819 1.00 0.88 C ATOM 2059 C ASP B 52 7.955 -10.727 -2.826 1.00 0.92 C ATOM 2060 O ASP B 52 7.630 -11.823 -3.286 1.00 1.42 O ATOM 2061 CB ASP B 52 7.072 -8.801 -4.142 1.00 1.02 C ATOM 2062 CG ASP B 52 6.383 -7.453 -4.093 1.00 1.11 C ATOM 2063 OD1 ASP B 52 5.167 -7.388 -4.371 1.00 1.52 O ATOM 2064 OD2 ASP B 52 7.055 -6.447 -3.783 1.00 1.32 O ATOM 0 H ASP B 52 7.469 -7.708 -1.990 1.00 0.84 H new ATOM 0 HA ASP B 52 5.967 -9.963 -2.699 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.122 -8.659 -4.397 1.00 1.02 H new ATOM 0 HB3 ASP B 52 6.629 -9.402 -4.936 1.00 1.02 H new ATOM 2069 N GLY B 53 9.149 -10.487 -2.305 1.00 0.79 N ATOM 2070 CA GLY B 53 10.169 -11.519 -2.266 1.00 0.88 C ATOM 2071 C GLY B 53 10.033 -12.481 -1.093 1.00 0.84 C ATOM 2072 O GLY B 53 10.846 -13.393 -0.947 1.00 0.93 O ATOM 0 H GLY B 53 9.432 -9.592 -1.906 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.131 -12.088 -3.195 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.149 -11.045 -2.222 1.00 0.88 H new ATOM 2076 N ARG B 54 9.022 -12.293 -0.253 1.00 0.76 N ATOM 2077 CA ARG B 54 8.828 -13.173 0.899 1.00 0.79 C ATOM 2078 C ARG B 54 7.731 -14.204 0.630 1.00 0.72 C ATOM 2079 O ARG B 54 7.102 -14.194 -0.431 1.00 0.69 O ATOM 2080 CB ARG B 54 8.510 -12.359 2.155 1.00 0.83 C ATOM 2081 CG ARG B 54 9.667 -11.483 2.611 1.00 1.00 C ATOM 2082 CD ARG B 54 9.423 -10.894 3.989 1.00 1.22 C ATOM 2083 NE ARG B 54 9.848 -11.797 5.060 1.00 2.01 N ATOM 2084 CZ ARG B 54 10.416 -11.395 6.194 1.00 2.69 C ATOM 2085 NH1 ARG B 54 10.658 -10.105 6.401 1.00 2.90 N ATOM 2086 NH2 ARG B 54 10.750 -12.288 7.120 1.00 3.65 N ATOM 0 H ARG B 54 8.330 -11.549 -0.343 1.00 0.76 H new ATOM 0 HA ARG B 54 9.760 -13.713 1.067 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.641 -11.730 1.962 1.00 0.83 H new ATOM 0 HB3 ARG B 54 8.238 -13.040 2.962 1.00 0.83 H new ATOM 0 HG2 ARG B 54 10.584 -12.072 2.625 1.00 1.00 H new ATOM 0 HG3 ARG B 54 9.817 -10.677 1.893 1.00 1.00 H new ATOM 0 HD2 ARG B 54 9.959 -9.949 4.079 1.00 1.22 H new ATOM 0 HD3 ARG B 54 8.362 -10.671 4.104 1.00 1.22 H new ATOM 0 HE ARG B 54 9.699 -12.798 4.929 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.408 -9.419 5.689 1.00 2.90 H new ATOM 0 HH12 ARG B 54 11.094 -9.801 7.272 1.00 2.90 H new ATOM 0 HH21 ARG B 54 10.571 -13.279 6.961 1.00 3.65 H new ATOM 0 HH22 ARG B 54 11.186 -11.982 7.990 1.00 3.65 H new ATOM 2100 N THR B 55 7.497 -15.083 1.600 1.00 0.72 N ATOM 2101 CA THR B 55 6.495 -16.129 1.461 1.00 0.68 C ATOM 2102 C THR B 55 5.322 -15.909 2.410 1.00 0.66 C ATOM 2103 O THR B 55 5.410 -15.115 3.348 1.00 0.69 O ATOM 2104 CB THR B 55 7.104 -17.519 1.735 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.845 -17.493 2.962 1.00 0.90 O ATOM 2106 CG2 THR B 55 8.013 -17.957 0.594 1.00 0.76 C ATOM 0 H THR B 55 7.991 -15.090 2.493 1.00 0.72 H new ATOM 0 HA THR B 55 6.134 -16.085 0.433 1.00 0.68 H new ATOM 0 HB THR B 55 6.288 -18.237 1.816 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.228 -18.379 3.132 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.427 -18.940 0.816 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.438 -18.006 -0.331 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.825 -17.239 0.479 1.00 0.76 H new ATOM 2114 N LEU B 56 4.226 -16.616 2.155 1.00 0.63 N ATOM 2115 CA LEU B 56 3.027 -16.518 2.982 1.00 0.63 C ATOM 2116 C LEU B 56 3.318 -16.927 4.423 1.00 0.70 C ATOM 2117 O LEU B 56 2.914 -16.247 5.367 1.00 0.71 O ATOM 2118 CB LEU B 56 1.916 -17.401 2.410 1.00 0.62 C ATOM 2119 CG LEU B 56 1.414 -17.008 1.020 1.00 0.58 C ATOM 2120 CD1 LEU B 56 0.310 -17.947 0.573 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.922 -15.568 1.007 1.00 1.26 C ATOM 0 H LEU B 56 4.143 -17.269 1.375 1.00 0.63 H new ATOM 0 HA LEU B 56 2.701 -15.478 2.977 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.277 -18.429 2.370 1.00 0.62 H new ATOM 0 HB3 LEU B 56 1.072 -17.386 3.100 1.00 0.62 H new ATOM 0 HG LEU B 56 2.247 -17.089 0.322 1.00 0.58 H new ATOM 0 HD11 LEU B 56 -0.037 -17.655 -0.418 1.00 1.15 H new ATOM 0 HD12 LEU B 56 0.692 -18.967 0.537 1.00 1.15 H new ATOM 0 HD13 LEU B 56 -0.520 -17.895 1.278 1.00 1.15 H new ATOM 0 HD21 LEU B 56 0.570 -15.313 0.007 1.00 1.26 H new ATOM 0 HD22 LEU B 56 0.104 -15.456 1.719 1.00 1.26 H new ATOM 0 HD23 LEU B 56 1.739 -14.902 1.285 1.00 1.26 H new ATOM 2133 N SER B 57 4.044 -18.023 4.583 1.00 0.76 N ATOM 2134 CA SER B 57 4.388 -18.538 5.902 1.00 0.85 C ATOM 2135 C SER B 57 5.339 -17.596 6.642 1.00 0.90 C ATOM 2136 O SER B 57 5.479 -17.674 7.866 1.00 0.98 O ATOM 2137 CB SER B 57 5.021 -19.917 5.752 1.00 0.95 C ATOM 2138 OG SER B 57 5.249 -20.211 4.381 1.00 0.98 O ATOM 0 H SER B 57 4.410 -18.578 3.809 1.00 0.76 H new ATOM 0 HA SER B 57 3.476 -18.612 6.494 1.00 0.85 H new ATOM 0 HB2 SER B 57 5.963 -19.953 6.300 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.369 -20.673 6.189 1.00 0.95 H new ATOM 0 HG SER B 57 4.545 -20.808 4.053 1.00 0.98 H new ATOM 2144 N ASP B 58 5.976 -16.701 5.894 1.00 0.87 N ATOM 2145 CA ASP B 58 6.913 -15.742 6.471 1.00 0.93 C ATOM 2146 C ASP B 58 6.165 -14.578 7.114 1.00 0.91 C ATOM 2147 O ASP B 58 6.736 -13.804 7.880 1.00 0.95 O ATOM 2148 CB ASP B 58 7.867 -15.225 5.394 1.00 0.97 C ATOM 2149 CG ASP B 58 9.234 -14.882 5.945 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.449 -15.021 7.167 1.00 1.16 O ATOM 2151 OD2 ASP B 58 10.108 -14.472 5.154 1.00 1.61 O ATOM 0 H ASP B 58 5.860 -16.619 4.884 1.00 0.87 H new ATOM 0 HA ASP B 58 7.492 -16.248 7.244 1.00 0.93 H new ATOM 0 HB2 ASP B 58 7.972 -15.979 4.614 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.435 -14.340 4.926 1.00 0.97 H new ATOM 2156 N TYR B 59 4.887 -14.455 6.787 1.00 0.86 N ATOM 2157 CA TYR B 59 4.048 -13.401 7.347 1.00 0.87 C ATOM 2158 C TYR B 59 2.923 -14.007 8.176 1.00 0.88 C ATOM 2159 O TYR B 59 2.019 -13.300 8.628 1.00 0.91 O ATOM 2160 CB TYR B 59 3.456 -12.536 6.236 1.00 0.81 C ATOM 2161 CG TYR B 59 4.393 -11.472 5.714 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.707 -10.359 6.486 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.948 -11.569 4.444 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.547 -9.376 6.006 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.793 -10.590 3.961 1.00 0.80 C ATOM 2166 CZ TYR B 59 6.087 -9.496 4.745 1.00 0.83 C ATOM 2167 OH TYR B 59 6.924 -8.519 4.265 1.00 0.90 O ATOM 0 H TYR B 59 4.405 -15.074 6.135 1.00 0.86 H new ATOM 0 HA TYR B 59 4.670 -12.776 7.987 1.00 0.87 H new ATOM 0 HB2 TYR B 59 3.159 -13.180 5.409 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.551 -12.056 6.608 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.287 -10.263 7.476 1.00 0.84 H new ATOM 0 HD2 TYR B 59 4.715 -12.423 3.825 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.780 -8.516 6.616 1.00 0.87 H new ATOM 0 HE2 TYR B 59 6.221 -10.681 2.974 1.00 0.80 H new ATOM 0 HH TYR B 59 7.694 -8.425 4.864 1.00 0.90 H new ATOM 2177 N ASN B 60 2.993 -15.327 8.357 1.00 0.89 N ATOM 2178 CA ASN B 60 1.994 -16.078 9.120 1.00 0.92 C ATOM 2179 C ASN B 60 0.650 -16.066 8.392 1.00 0.86 C ATOM 2180 O ASN B 60 -0.416 -16.086 9.008 1.00 0.89 O ATOM 2181 CB ASN B 60 1.844 -15.515 10.541 1.00 1.00 C ATOM 2182 CG ASN B 60 1.073 -16.443 11.463 1.00 1.48 C ATOM 2183 OD1 ASN B 60 1.146 -17.666 11.339 1.00 2.05 O ATOM 2184 ND2 ASN B 60 0.326 -15.868 12.391 1.00 1.91 N ATOM 0 H ASN B 60 3.743 -15.905 7.979 1.00 0.89 H new ATOM 0 HA ASN B 60 2.337 -17.109 9.204 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.833 -15.333 10.961 1.00 1.00 H new ATOM 0 HB3 ASN B 60 1.335 -14.552 10.494 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -0.217 -16.442 13.037 1.00 1.91 H new ATOM 0 HD22 ASN B 60 0.293 -14.851 12.461 1.00 1.91 H new ATOM 2191 N ILE B 61 0.708 -16.028 7.069 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.496 -16.027 6.258 1.00 0.74 C ATOM 2193 C ILE B 61 -0.946 -17.457 6.023 1.00 0.74 C ATOM 2194 O ILE B 61 -0.310 -18.212 5.286 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.279 -15.320 4.907 1.00 0.68 C ATOM 2196 CG1 ILE B 61 0.245 -13.902 5.137 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.576 -15.291 4.108 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.744 -13.229 3.879 1.00 0.65 C ATOM 0 H ILE B 61 1.577 -15.997 6.536 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.265 -15.475 6.798 1.00 0.74 H new ATOM 0 HB ILE B 61 0.462 -15.876 4.333 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -0.550 -13.296 5.572 1.00 0.70 H new ATOM 0 HG13 ILE B 61 1.055 -13.937 5.866 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.406 -14.788 3.156 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -1.913 -16.311 3.924 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.338 -14.753 4.671 1.00 0.66 H new ATOM 0 HD11 ILE B 61 1.100 -12.227 4.119 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.561 -13.812 3.454 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.069 -13.162 3.156 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.032 -17.820 6.677 1.00 0.80 N ATOM 2211 CA GLN B 62 -2.572 -19.164 6.579 1.00 0.81 C ATOM 2212 C GLN B 62 -3.821 -19.192 5.705 1.00 0.75 C ATOM 2213 O GLN B 62 -4.125 -18.223 5.006 1.00 0.70 O ATOM 2214 CB GLN B 62 -2.875 -19.689 7.982 1.00 0.91 C ATOM 2215 CG GLN B 62 -1.701 -19.542 8.936 1.00 1.02 C ATOM 2216 CD GLN B 62 -2.034 -19.972 10.344 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -1.843 -21.127 10.715 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -2.548 -19.048 11.134 1.00 1.51 N ATOM 0 H GLN B 62 -2.562 -17.198 7.287 1.00 0.80 H new ATOM 0 HA GLN B 62 -1.832 -19.810 6.107 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -3.734 -19.154 8.387 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -3.155 -20.740 7.918 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -0.864 -20.135 8.568 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -1.375 -18.502 8.946 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -2.690 -18.100 10.785 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -2.803 -19.282 12.093 1.00 1.51 H new ATOM 2227 N LYS B 63 -4.535 -20.304 5.746 1.00 0.78 N ATOM 2228 CA LYS B 63 -5.749 -20.469 4.959 1.00 0.77 C ATOM 2229 C LYS B 63 -6.882 -19.615 5.514 1.00 0.77 C ATOM 2230 O LYS B 63 -6.940 -19.352 6.720 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.165 -21.941 4.939 1.00 0.81 C ATOM 2232 CG LYS B 63 -6.648 -22.455 6.285 1.00 0.91 C ATOM 2233 CD LYS B 63 -6.885 -23.954 6.260 1.00 1.12 C ATOM 2234 CE LYS B 63 -7.622 -24.418 7.500 1.00 1.66 C ATOM 2235 NZ LYS B 63 -9.092 -24.264 7.357 1.00 2.28 N ATOM 0 H LYS B 63 -4.294 -21.112 6.320 1.00 0.78 H new ATOM 0 HA LYS B 63 -5.541 -20.140 3.941 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -6.957 -22.076 4.202 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -5.319 -22.545 4.611 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -5.911 -22.216 7.052 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -7.571 -21.945 6.560 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -7.460 -24.218 5.373 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -5.930 -24.474 6.187 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -7.383 -25.463 7.695 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -7.279 -23.846 8.362 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -9.553 -24.479 8.264 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -9.313 -23.287 7.079 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -9.440 -24.919 6.628 1.00 2.28 H new ATOM 2249 N GLU B 64 -7.764 -19.168 4.621 1.00 0.75 N ATOM 2250 CA GLU B 64 -8.916 -18.354 4.994 1.00 0.79 C ATOM 2251 C GLU B 64 -8.493 -17.036 5.636 1.00 0.78 C ATOM 2252 O GLU B 64 -9.113 -16.573 6.593 1.00 0.90 O ATOM 2253 CB GLU B 64 -9.840 -19.125 5.940 1.00 0.88 C ATOM 2254 CG GLU B 64 -10.816 -20.052 5.233 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.236 -21.423 4.965 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -10.035 -22.187 5.935 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.002 -21.753 3.785 1.00 1.43 O ATOM 0 H GLU B 64 -7.699 -19.360 3.621 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.458 -18.122 4.077 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -9.231 -19.712 6.628 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.403 -18.412 6.542 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -11.715 -20.156 5.840 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.119 -19.600 4.289 1.00 1.05 H new ATOM 2264 N SER B 65 -7.445 -16.430 5.103 1.00 0.69 N ATOM 2265 CA SER B 65 -6.960 -15.160 5.622 1.00 0.70 C ATOM 2266 C SER B 65 -7.379 -14.020 4.703 1.00 0.66 C ATOM 2267 O SER B 65 -7.444 -14.189 3.485 1.00 0.63 O ATOM 2268 CB SER B 65 -5.440 -15.194 5.773 1.00 0.68 C ATOM 2269 OG SER B 65 -5.041 -16.287 6.583 1.00 0.74 O ATOM 0 H SER B 65 -6.914 -16.795 4.313 1.00 0.69 H new ATOM 0 HA SER B 65 -7.401 -14.993 6.605 1.00 0.70 H new ATOM 0 HB2 SER B 65 -4.974 -15.274 4.791 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.093 -14.261 6.216 1.00 0.68 H new ATOM 0 HG SER B 65 -4.978 -17.096 6.033 1.00 0.74 H new ATOM 2275 N THR B 66 -7.685 -12.871 5.290 1.00 0.70 N ATOM 2276 CA THR B 66 -8.103 -11.713 4.516 1.00 0.69 C ATOM 2277 C THR B 66 -6.934 -10.768 4.247 1.00 0.65 C ATOM 2278 O THR B 66 -6.461 -10.070 5.146 1.00 0.68 O ATOM 2279 CB THR B 66 -9.220 -10.932 5.234 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.059 -11.832 5.973 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.061 -10.157 4.232 1.00 0.88 C ATOM 0 H THR B 66 -7.651 -12.717 6.298 1.00 0.70 H new ATOM 0 HA THR B 66 -8.481 -12.093 3.567 1.00 0.69 H new ATOM 0 HB THR B 66 -8.754 -10.227 5.923 1.00 0.79 H new ATOM 0 HG1 THR B 66 -10.764 -11.324 6.426 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.844 -9.612 4.759 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.428 -9.452 3.694 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.515 -10.851 3.524 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.485 -10.740 3.006 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.385 -9.880 2.610 1.00 0.59 C ATOM 2291 C LEU B 67 -5.939 -8.653 1.899 1.00 0.58 C ATOM 2292 O LEU B 67 -6.954 -8.741 1.209 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.414 -10.628 1.688 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.537 -11.688 2.369 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -4.306 -12.985 2.568 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.276 -11.936 1.557 1.00 1.31 C ATOM 0 H LEU B 67 -6.868 -11.307 2.250 1.00 0.61 H new ATOM 0 HA LEU B 67 -4.837 -9.573 3.501 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.990 -11.111 0.899 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.763 -9.898 1.207 1.00 0.59 H new ATOM 0 HG LEU B 67 -3.250 -11.311 3.351 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -3.662 -13.719 3.052 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -5.178 -12.798 3.194 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -4.629 -13.368 1.600 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -1.666 -12.690 2.054 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.547 -12.287 0.562 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -1.709 -11.009 1.472 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.291 -7.516 2.075 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.744 -6.285 1.444 1.00 0.60 C ATOM 2310 C HIS B 68 -4.884 -5.950 0.237 1.00 0.56 C ATOM 2311 O HIS B 68 -3.708 -5.635 0.373 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.729 -5.127 2.441 1.00 0.70 C ATOM 2313 CG HIS B 68 -7.088 -4.766 2.957 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -7.490 -5.006 4.253 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -8.145 -4.182 2.340 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -8.731 -4.585 4.413 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -9.150 -4.082 3.267 1.00 2.10 N ATOM 0 H HIS B 68 -4.452 -7.417 2.647 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.769 -6.438 1.107 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -5.088 -5.390 3.282 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.286 -4.253 1.964 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -8.187 -3.857 1.311 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -9.305 -4.642 5.326 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -10.073 -3.683 3.098 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.468 -6.040 -0.943 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.748 -5.743 -2.171 1.00 0.51 C ATOM 2328 C LEU B 69 -5.043 -4.327 -2.645 1.00 0.52 C ATOM 2329 O LEU B 69 -6.198 -3.943 -2.808 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.127 -6.749 -3.264 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.614 -6.424 -4.672 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.095 -6.462 -4.716 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.200 -7.394 -5.688 1.00 0.71 C ATOM 0 H LEU B 69 -6.440 -6.317 -1.079 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.680 -5.823 -1.966 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -4.749 -7.730 -2.977 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.214 -6.825 -3.301 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.937 -5.415 -4.928 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.754 -6.228 -5.725 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.692 -5.728 -4.018 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -2.748 -7.457 -4.437 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.826 -7.150 -6.682 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -4.907 -8.412 -5.430 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.287 -7.316 -5.680 1.00 0.71 H new ATOM 2345 N VAL B 70 -4.000 -3.544 -2.836 1.00 0.40 N ATOM 2346 CA VAL B 70 -4.158 -2.185 -3.320 1.00 0.44 C ATOM 2347 C VAL B 70 -3.516 -2.062 -4.696 1.00 0.43 C ATOM 2348 O VAL B 70 -2.602 -2.821 -5.033 1.00 0.49 O ATOM 2349 CB VAL B 70 -3.567 -1.139 -2.345 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -4.178 -1.300 -0.961 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -2.054 -1.242 -2.274 1.00 0.77 C ATOM 0 H VAL B 70 -3.034 -3.824 -2.664 1.00 0.40 H new ATOM 0 HA VAL B 70 -5.225 -1.975 -3.391 1.00 0.44 H new ATOM 0 HB VAL B 70 -3.815 -0.148 -2.725 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -3.752 -0.557 -0.287 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -5.257 -1.159 -1.021 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -3.963 -2.299 -0.582 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -1.671 -0.494 -1.581 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -1.773 -2.236 -1.927 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -1.631 -1.070 -3.264 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.996 -1.126 -5.493 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.478 -0.943 -6.836 1.00 0.45 C ATOM 2363 C LEU B 71 -2.362 0.091 -6.858 1.00 0.52 C ATOM 2364 O LEU B 71 -2.496 1.182 -6.302 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.604 -0.519 -7.779 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.711 -1.557 -7.980 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.894 -0.940 -8.711 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -5.182 -2.760 -8.749 1.00 1.04 C ATOM 0 H LEU B 71 -4.743 -0.481 -5.234 1.00 0.44 H new ATOM 0 HA LEU B 71 -3.066 -1.894 -7.173 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.052 0.397 -7.395 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.172 -0.279 -8.751 1.00 0.52 H new ATOM 0 HG LEU B 71 -6.047 -1.894 -6.999 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.671 -1.692 -8.845 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -7.290 -0.109 -8.127 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.570 -0.576 -9.686 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.983 -3.487 -8.882 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.819 -2.437 -9.725 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -4.365 -3.218 -8.191 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.259 -0.255 -7.506 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.124 0.649 -7.618 1.00 0.85 C ATOM 2382 C ARG B 72 -0.377 1.647 -8.742 1.00 1.12 C ATOM 2383 O ARG B 72 0.376 1.719 -9.711 1.00 1.44 O ATOM 2384 CB ARG B 72 1.166 -0.135 -7.878 1.00 1.05 C ATOM 2385 CG ARG B 72 2.379 0.402 -7.127 1.00 1.32 C ATOM 2386 CD ARG B 72 2.930 1.677 -7.754 1.00 1.27 C ATOM 2387 NE ARG B 72 2.222 2.880 -7.305 1.00 1.61 N ATOM 2388 CZ ARG B 72 2.662 4.123 -7.519 1.00 2.00 C ATOM 2389 NH1 ARG B 72 3.823 4.320 -8.126 1.00 2.37 N ATOM 2390 NH2 ARG B 72 1.950 5.174 -7.122 1.00 2.67 N ATOM 0 H ARG B 72 -1.126 -1.157 -7.963 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.007 1.190 -6.679 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.009 -1.176 -7.597 1.00 1.05 H new ATOM 0 HB3 ARG B 72 1.378 -0.122 -8.947 1.00 1.05 H new ATOM 0 HG2 ARG B 72 2.104 0.599 -6.091 1.00 1.32 H new ATOM 0 HG3 ARG B 72 3.159 -0.359 -7.111 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.988 1.770 -7.508 1.00 1.27 H new ATOM 0 HD3 ARG B 72 2.860 1.603 -8.839 1.00 1.27 H new ATOM 0 HE ARG B 72 1.344 2.761 -6.801 1.00 1.61 H new ATOM 0 HH11 ARG B 72 4.381 3.522 -8.430 1.00 2.37 H new ATOM 0 HH12 ARG B 72 4.159 5.269 -8.289 1.00 2.37 H new ATOM 0 HH21 ARG B 72 1.057 5.036 -6.648 1.00 2.67 H new ATOM 0 HH22 ARG B 72 2.297 6.118 -7.291 1.00 2.67 H new ATOM 2404 N LEU B 73 -1.454 2.397 -8.607 1.00 1.43 N ATOM 2405 CA LEU B 73 -1.830 3.392 -9.594 1.00 1.81 C ATOM 2406 C LEU B 73 -1.898 4.760 -8.938 1.00 2.25 C ATOM 2407 O LEU B 73 -1.708 4.874 -7.726 1.00 2.64 O ATOM 2408 CB LEU B 73 -3.187 3.036 -10.207 1.00 2.20 C ATOM 2409 CG LEU B 73 -3.287 1.628 -10.800 1.00 2.74 C ATOM 2410 CD1 LEU B 73 -4.718 1.330 -11.215 1.00 3.46 C ATOM 2411 CD2 LEU B 73 -2.344 1.478 -11.984 1.00 3.06 C ATOM 0 H LEU B 73 -2.091 2.335 -7.813 1.00 1.43 H new ATOM 0 HA LEU B 73 -1.082 3.411 -10.386 1.00 1.81 H new ATOM 0 HB2 LEU B 73 -3.954 3.145 -9.440 1.00 2.20 H new ATOM 0 HB3 LEU B 73 -3.415 3.759 -10.990 1.00 2.20 H new ATOM 0 HG LEU B 73 -2.992 0.909 -10.036 1.00 2.74 H new ATOM 0 HD11 LEU B 73 -4.773 0.326 -11.635 1.00 3.46 H new ATOM 0 HD12 LEU B 73 -5.371 1.396 -10.344 1.00 3.46 H new ATOM 0 HD13 LEU B 73 -5.038 2.054 -11.964 1.00 3.46 H new ATOM 0 HD21 LEU B 73 -2.429 0.471 -12.392 1.00 3.06 H new ATOM 0 HD22 LEU B 73 -2.607 2.204 -12.753 1.00 3.06 H new ATOM 0 HD23 LEU B 73 -1.319 1.651 -11.657 1.00 3.06 H new ATOM 2423 N ARG B 74 -2.167 5.787 -9.726 1.00 2.57 N ATOM 2424 CA ARG B 74 -2.262 7.141 -9.200 1.00 3.21 C ATOM 2425 C ARG B 74 -3.656 7.703 -9.430 1.00 3.66 C ATOM 2426 O ARG B 74 -4.294 7.413 -10.443 1.00 4.13 O ATOM 2427 CB ARG B 74 -1.205 8.046 -9.838 1.00 3.52 C ATOM 2428 CG ARG B 74 -1.307 8.148 -11.352 1.00 3.95 C ATOM 2429 CD ARG B 74 0.042 8.455 -11.982 1.00 3.89 C ATOM 2430 NE ARG B 74 0.981 7.340 -11.833 1.00 3.86 N ATOM 2431 CZ ARG B 74 1.952 7.292 -10.920 1.00 3.91 C ATOM 2432 NH1 ARG B 74 2.119 8.288 -10.061 1.00 3.94 N ATOM 2433 NH2 ARG B 74 2.760 6.244 -10.862 1.00 4.46 N ATOM 0 H ARG B 74 -2.324 5.711 -10.731 1.00 2.57 H new ATOM 0 HA ARG B 74 -2.076 7.106 -8.127 1.00 3.21 H new ATOM 0 HB2 ARG B 74 -1.292 9.045 -9.411 1.00 3.52 H new ATOM 0 HB3 ARG B 74 -0.215 7.672 -9.576 1.00 3.52 H new ATOM 0 HG2 ARG B 74 -1.694 7.212 -11.755 1.00 3.95 H new ATOM 0 HG3 ARG B 74 -2.020 8.928 -11.618 1.00 3.95 H new ATOM 0 HD2 ARG B 74 -0.094 8.676 -13.041 1.00 3.89 H new ATOM 0 HD3 ARG B 74 0.463 9.348 -11.521 1.00 3.89 H new ATOM 0 HE ARG B 74 0.886 6.549 -12.469 1.00 3.86 H new ATOM 0 HH11 ARG B 74 1.502 9.100 -10.095 1.00 3.94 H new ATOM 0 HH12 ARG B 74 2.864 8.243 -9.366 1.00 3.94 H new ATOM 0 HH21 ARG B 74 2.640 5.471 -11.517 1.00 4.46 H new ATOM 0 HH22 ARG B 74 3.502 6.210 -10.163 1.00 4.46 H new ATOM 2447 N GLY B 75 -4.131 8.487 -8.479 1.00 3.91 N ATOM 2448 CA GLY B 75 -5.446 9.077 -8.590 1.00 4.54 C ATOM 2449 C GLY B 75 -6.148 9.135 -7.255 1.00 4.82 C ATOM 2450 O GLY B 75 -5.499 9.107 -6.209 1.00 5.30 O ATOM 0 H GLY B 75 -3.626 8.727 -7.626 1.00 3.91 H new ATOM 0 HA2 GLY B 75 -5.360 10.083 -8.999 1.00 4.54 H new ATOM 0 HA3 GLY B 75 -6.046 8.498 -9.292 1.00 4.54 H new ATOM 2454 N GLY B 76 -7.468 9.204 -7.290 1.00 4.83 N ATOM 2455 CA GLY B 76 -8.244 9.264 -6.072 1.00 5.27 C ATOM 2456 C GLY B 76 -9.628 8.697 -6.273 1.00 5.46 C ATOM 2457 O GLY B 76 -9.775 7.786 -7.112 1.00 5.28 O ATOM 2458 OXT GLY B 76 -10.578 9.168 -5.614 1.00 6.13 O ATOM 0 H GLY B 76 -8.020 9.220 -8.148 1.00 4.83 H new ATOM 0 HA2 GLY B 76 -7.733 8.709 -5.285 1.00 5.27 H new ATOM 0 HA3 GLY B 76 -8.318 10.298 -5.736 1.00 5.27 H new TER 2462 GLY B 76