USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1012 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 62 GLN : amide:sc= -3.39! C(o=-0.14!,f=-1.6!) USER MOD Set 1.2: B 64 SER OG : rot -156:sc= 3.25 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 156:sc= 0.28 (180deg=-0.451) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.813 K(o=-0.53,f=-2!) USER MOD Set 3.1: A 49 GLN : amide:sc= -1.98 K(o=-0.8,f=-4.1!) USER MOD Set 3.2: A 59 TYR OH : rot -50:sc= 1.18 USER MOD Set 4.1: A 7 THR OG1 : rot -78:sc= 1.83 USER MOD Set 4.2: A 9 THR OG1 : rot -40:sc= 0.359 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.312 (180deg=-0.957) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0199 (180deg=-0.184) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 180:sc= 0.097 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.475 (180deg=0.121) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= -1.02 (180deg=-1.14) USER MOD Single : A 31 GLN : amide:sc= -3.79 K(o=-3.8,f=-14!) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.295 (180deg=-1.27) USER MOD Single : A 40 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.28) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.683 F(o=-2.7!,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -0.0264 (180deg=-0.153) USER MOD Single : A 55 THR OG1 : rot -96:sc= 0.00269 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.118 F(o=-2.3!,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 0.262 USER MOD Single : A 66 THR OG1 : rot 29:sc= 0.114 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 CYS SG : rot -15:sc= -3.84! USER MOD Single : B 11 THR OG1 : rot 150:sc= 0.295 USER MOD Single : B 15 TYR OH : rot 15:sc= -0.671 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot -58:sc= 0.812 USER MOD Single : B 19 ASN :FLIP amide:sc= -0.653 F(o=-2.5,f=-0.65) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.152 USER MOD Single : B 32 HIS : no HE2:sc= 0.456 K(o=0.46,f=-2.3!) USER MOD Single : B 35 SER OG : rot 2:sc= 0.495 USER MOD Single : B 36 LYS NZ :NH3+ 167:sc= -1.87! (180deg=-2.48!) USER MOD Single : B 38 THR OG1 : rot -102:sc= 0.563 USER MOD Single : B 45 LYS NZ :NH3+ 167:sc= -0.0337 (180deg=-0.297) USER MOD Single : B 49 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.64) USER MOD Single : B 51 LYS NZ :NH3+ -123:sc= 0.0277 (180deg=0) USER MOD Single : B 58 ASN :FLIP amide:sc=-0.00233 F(o=-1.2,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.798 -20.728 -6.336 1.00 15.13 N ATOM 2 CA MET A 1 -13.957 -20.177 -5.244 1.00 14.88 C ATOM 3 C MET A 1 -13.700 -18.688 -5.456 1.00 13.56 C ATOM 4 O MET A 1 -13.127 -18.284 -6.470 1.00 12.96 O ATOM 5 CB MET A 1 -12.625 -20.930 -5.172 1.00 15.67 C ATOM 6 CG MET A 1 -11.651 -20.358 -4.151 1.00 15.34 C ATOM 7 SD MET A 1 -10.266 -21.461 -3.811 1.00 16.50 S ATOM 8 CE MET A 1 -11.083 -22.765 -2.895 1.00 15.91 C ATOM 0 H1 MET A 1 -14.960 -21.742 -6.171 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.711 -20.230 -6.356 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.313 -20.598 -7.247 1.00 15.13 H new ATOM 0 HA MET A 1 -14.493 -20.306 -4.303 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.821 -21.974 -4.928 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.156 -20.915 -6.156 1.00 15.67 H new ATOM 0 HG2 MET A 1 -11.269 -19.404 -4.515 1.00 15.34 H new ATOM 0 HG3 MET A 1 -12.184 -20.154 -3.222 1.00 15.34 H new ATOM 0 HE1 MET A 1 -10.347 -23.312 -2.306 1.00 15.91 H new ATOM 0 HE2 MET A 1 -11.829 -22.330 -2.230 1.00 15.91 H new ATOM 0 HE3 MET A 1 -11.571 -23.448 -3.591 1.00 15.91 H new ATOM 20 N GLN A 2 -14.126 -17.877 -4.492 1.00 13.22 N ATOM 21 CA GLN A 2 -13.943 -16.431 -4.562 1.00 12.04 C ATOM 22 C GLN A 2 -12.544 -16.044 -4.092 1.00 11.88 C ATOM 23 O GLN A 2 -12.017 -16.631 -3.148 1.00 12.64 O ATOM 24 CB GLN A 2 -14.987 -15.719 -3.694 1.00 11.89 C ATOM 25 CG GLN A 2 -16.424 -16.118 -3.999 1.00 10.95 C ATOM 26 CD GLN A 2 -17.413 -15.582 -2.979 1.00 11.15 C ATOM 27 OE1 GLN A 2 -17.078 -15.398 -1.808 1.00 10.74 O ATOM 28 NE2 GLN A 2 -18.641 -15.333 -3.418 1.00 11.94 N ATOM 0 H GLN A 2 -14.602 -18.199 -3.649 1.00 13.22 H new ATOM 0 HA GLN A 2 -14.067 -16.124 -5.600 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -14.777 -15.930 -2.645 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.883 -14.642 -3.829 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -16.696 -15.752 -4.989 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -16.495 -17.205 -4.031 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -18.876 -15.500 -4.396 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -19.349 -14.975 -2.777 1.00 11.94 H new ATOM 37 N ILE A 3 -11.949 -15.054 -4.755 1.00 10.95 N ATOM 38 CA ILE A 3 -10.613 -14.587 -4.397 1.00 10.68 C ATOM 39 C ILE A 3 -10.471 -13.089 -4.653 1.00 9.47 C ATOM 40 O ILE A 3 -11.109 -12.539 -5.550 1.00 8.82 O ATOM 41 CB ILE A 3 -9.509 -15.342 -5.170 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.673 -15.141 -6.679 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.532 -16.825 -4.820 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.548 -15.737 -7.498 1.00 10.30 C ATOM 0 H ILE A 3 -12.371 -14.561 -5.542 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.488 -14.788 -3.333 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.542 -14.934 -4.875 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.616 -15.586 -6.995 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.738 -14.073 -6.890 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.748 -17.342 -5.373 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.363 -16.949 -3.750 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.501 -17.247 -5.086 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.733 -15.555 -8.557 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.604 -15.275 -7.210 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.496 -16.811 -7.318 1.00 10.30 H new ATOM 56 N PHE A 4 -9.630 -12.440 -3.853 1.00 9.25 N ATOM 57 CA PHE A 4 -9.398 -11.003 -3.979 1.00 8.23 C ATOM 58 C PHE A 4 -8.056 -10.718 -4.651 1.00 7.51 C ATOM 59 O PHE A 4 -7.122 -11.516 -4.563 1.00 7.97 O ATOM 60 CB PHE A 4 -9.432 -10.337 -2.602 1.00 8.76 C ATOM 61 CG PHE A 4 -10.728 -10.536 -1.867 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.875 -9.870 -2.267 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.798 -11.387 -0.776 1.00 10.81 C ATOM 64 CE1 PHE A 4 -13.068 -10.049 -1.592 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.986 -11.570 -0.097 1.00 11.64 C ATOM 66 CZ PHE A 4 -13.123 -10.900 -0.506 1.00 11.33 C ATOM 0 H PHE A 4 -9.096 -12.887 -3.108 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.192 -10.591 -4.601 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.617 -10.733 -1.997 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.252 -9.269 -2.720 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.837 -9.203 -3.116 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.912 -11.914 -0.453 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -13.955 -9.524 -1.913 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -12.027 -12.236 0.752 1.00 11.64 H new ATOM 0 HZ PHE A 4 -14.054 -11.042 0.023 1.00 11.33 H new ATOM 76 N VAL A 5 -7.976 -9.569 -5.321 1.00 6.47 N ATOM 77 CA VAL A 5 -6.758 -9.151 -6.008 1.00 5.80 C ATOM 78 C VAL A 5 -6.574 -7.639 -5.872 1.00 4.97 C ATOM 79 O VAL A 5 -7.212 -6.862 -6.581 1.00 4.55 O ATOM 80 CB VAL A 5 -6.792 -9.531 -7.504 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.525 -9.069 -8.212 1.00 5.38 C ATOM 82 CG2 VAL A 5 -6.984 -11.032 -7.669 1.00 6.66 C ATOM 0 H VAL A 5 -8.748 -8.907 -5.402 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.920 -9.670 -5.542 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.639 -9.023 -7.965 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.574 -9.349 -9.264 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.436 -7.986 -8.128 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.658 -9.541 -7.751 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.006 -11.282 -8.730 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.160 -11.559 -7.189 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -7.925 -11.332 -7.207 1.00 6.66 H new ATOM 92 N LYS A 6 -5.695 -7.230 -4.959 1.00 4.99 N ATOM 93 CA LYS A 6 -5.450 -5.810 -4.711 1.00 4.54 C ATOM 94 C LYS A 6 -4.344 -5.252 -5.602 1.00 3.66 C ATOM 95 O LYS A 6 -3.279 -5.851 -5.735 1.00 3.73 O ATOM 96 CB LYS A 6 -5.085 -5.586 -3.242 1.00 5.41 C ATOM 97 CG LYS A 6 -4.994 -4.117 -2.854 1.00 5.62 C ATOM 98 CD LYS A 6 -4.464 -3.937 -1.438 1.00 6.25 C ATOM 99 CE LYS A 6 -2.997 -4.328 -1.330 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.143 -3.549 -2.269 1.00 6.86 N ATOM 0 H LYS A 6 -5.141 -7.861 -4.379 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.371 -5.279 -4.950 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.829 -6.074 -2.613 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -4.129 -6.067 -3.036 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -4.342 -3.596 -3.555 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -5.980 -3.658 -2.934 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.587 -2.898 -1.133 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -5.053 -4.543 -0.750 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.653 -4.167 -0.308 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -2.889 -5.392 -1.539 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -1.167 -3.525 -1.912 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.158 -3.999 -3.207 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -2.507 -2.578 -2.345 1.00 6.86 H new ATOM 114 N THR A 7 -4.609 -4.090 -6.195 1.00 3.27 N ATOM 115 CA THR A 7 -3.648 -3.425 -7.071 1.00 2.97 C ATOM 116 C THR A 7 -2.970 -2.256 -6.359 1.00 3.21 C ATOM 117 O THR A 7 -3.481 -1.739 -5.364 1.00 3.79 O ATOM 118 CB THR A 7 -4.330 -2.904 -8.352 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.371 -1.981 -8.011 1.00 3.78 O ATOM 120 CG2 THR A 7 -4.911 -4.052 -9.164 1.00 3.68 C ATOM 0 H THR A 7 -5.489 -3.586 -6.083 1.00 3.27 H new ATOM 0 HA THR A 7 -2.896 -4.167 -7.340 1.00 2.97 H new ATOM 0 HB THR A 7 -3.577 -2.398 -8.956 1.00 3.37 H new ATOM 0 HG1 THR A 7 -6.164 -2.476 -7.717 1.00 3.78 H new ATOM 0 HG21 THR A 7 -5.386 -3.658 -10.062 1.00 3.68 H new ATOM 0 HG22 THR A 7 -4.113 -4.738 -9.447 1.00 3.68 H new ATOM 0 HG23 THR A 7 -5.651 -4.583 -8.565 1.00 3.68 H new ATOM 128 N LEU A 8 -1.816 -1.844 -6.880 1.00 3.26 N ATOM 129 CA LEU A 8 -1.057 -0.735 -6.304 1.00 3.74 C ATOM 130 C LEU A 8 -1.831 0.579 -6.412 1.00 4.78 C ATOM 131 O LEU A 8 -1.611 1.503 -5.629 1.00 5.48 O ATOM 132 CB LEU A 8 0.303 -0.609 -7.004 1.00 3.85 C ATOM 133 CG LEU A 8 0.254 -0.532 -8.538 1.00 3.89 C ATOM 134 CD1 LEU A 8 0.018 0.897 -9.005 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.539 -1.083 -9.145 1.00 4.09 C ATOM 0 H LEU A 8 -1.384 -2.263 -7.704 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.897 -0.945 -5.247 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.804 0.284 -6.629 1.00 3.85 H new ATOM 0 HB3 LEU A 8 0.918 -1.463 -6.720 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.581 -1.144 -8.878 1.00 3.89 H new ATOM 0 HD11 LEU A 8 -0.012 0.923 -10.094 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.930 1.258 -8.607 1.00 4.36 H new ATOM 0 HD13 LEU A 8 0.827 1.534 -8.649 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.484 -1.020 -10.232 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.389 -0.500 -8.790 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.664 -2.124 -8.848 1.00 4.09 H new ATOM 147 N THR A 9 -2.736 0.652 -7.386 1.00 5.08 N ATOM 148 CA THR A 9 -3.542 1.851 -7.596 1.00 6.24 C ATOM 149 C THR A 9 -4.517 2.064 -6.440 1.00 6.58 C ATOM 150 O THR A 9 -4.787 3.199 -6.047 1.00 7.61 O ATOM 151 CB THR A 9 -4.338 1.773 -8.915 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.221 0.644 -8.891 1.00 5.90 O ATOM 153 CG2 THR A 9 -3.401 1.663 -10.110 1.00 7.65 C ATOM 0 H THR A 9 -2.929 -0.105 -8.042 1.00 5.08 H new ATOM 0 HA THR A 9 -2.850 2.692 -7.648 1.00 6.24 H new ATOM 0 HB THR A 9 -4.921 2.689 -9.013 1.00 6.63 H new ATOM 0 HG1 THR A 9 -4.766 -0.119 -8.477 1.00 5.90 H new ATOM 0 HG21 THR A 9 -3.987 1.609 -11.028 1.00 7.65 H new ATOM 0 HG22 THR A 9 -2.751 2.537 -10.145 1.00 7.65 H new ATOM 0 HG23 THR A 9 -2.793 0.763 -10.014 1.00 7.65 H new ATOM 161 N GLY A 10 -5.036 0.961 -5.903 1.00 5.95 N ATOM 162 CA GLY A 10 -5.977 1.035 -4.795 1.00 6.60 C ATOM 163 C GLY A 10 -7.282 0.318 -5.087 1.00 6.46 C ATOM 164 O GLY A 10 -8.209 0.347 -4.277 1.00 7.08 O ATOM 0 H GLY A 10 -4.821 0.014 -6.216 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.520 0.601 -3.906 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.184 2.081 -4.569 1.00 6.60 H new ATOM 168 N LYS A 11 -7.351 -0.324 -6.250 1.00 5.81 N ATOM 169 CA LYS A 11 -8.554 -1.043 -6.662 1.00 5.70 C ATOM 170 C LYS A 11 -8.442 -2.546 -6.418 1.00 5.01 C ATOM 171 O LYS A 11 -7.488 -3.190 -6.857 1.00 4.26 O ATOM 172 CB LYS A 11 -8.838 -0.778 -8.144 1.00 5.63 C ATOM 173 CG LYS A 11 -10.096 -1.462 -8.660 1.00 5.81 C ATOM 174 CD LYS A 11 -10.333 -1.151 -10.130 1.00 6.13 C ATOM 175 CE LYS A 11 -11.572 -1.856 -10.659 1.00 6.58 C ATOM 176 NZ LYS A 11 -12.804 -1.430 -9.940 1.00 6.35 N ATOM 0 H LYS A 11 -6.587 -0.361 -6.925 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.379 -0.673 -6.053 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.930 0.297 -8.300 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.985 -1.114 -8.734 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -10.008 -2.540 -8.524 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.956 -1.136 -8.074 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -10.442 -0.075 -10.262 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -9.463 -1.457 -10.712 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -11.682 -1.647 -11.723 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.447 -2.934 -10.558 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -13.641 -1.771 -10.454 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -12.801 -1.829 -8.980 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -12.831 -0.392 -9.883 1.00 6.35 H new ATOM 190 N THR A 12 -9.430 -3.092 -5.709 1.00 5.57 N ATOM 191 CA THR A 12 -9.481 -4.523 -5.420 1.00 5.50 C ATOM 192 C THR A 12 -10.468 -5.198 -6.367 1.00 5.42 C ATOM 193 O THR A 12 -11.580 -4.709 -6.562 1.00 6.02 O ATOM 194 CB THR A 12 -9.902 -4.796 -3.961 1.00 6.58 C ATOM 195 OG1 THR A 12 -9.075 -4.046 -3.064 1.00 6.95 O ATOM 196 CG2 THR A 12 -9.794 -6.280 -3.633 1.00 6.85 C ATOM 0 H THR A 12 -10.210 -2.560 -5.323 1.00 5.57 H new ATOM 0 HA THR A 12 -8.480 -4.930 -5.564 1.00 5.50 H new ATOM 0 HB THR A 12 -10.941 -4.488 -3.844 1.00 6.58 H new ATOM 0 HG1 THR A 12 -9.350 -4.223 -2.140 1.00 6.95 H new ATOM 0 HG21 THR A 12 -10.096 -6.447 -2.599 1.00 6.85 H new ATOM 0 HG22 THR A 12 -10.445 -6.848 -4.298 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.763 -6.608 -3.767 1.00 6.85 H new ATOM 204 N ILE A 13 -10.062 -6.323 -6.949 1.00 4.88 N ATOM 205 CA ILE A 13 -10.909 -7.042 -7.896 1.00 5.00 C ATOM 206 C ILE A 13 -11.258 -8.439 -7.392 1.00 5.65 C ATOM 207 O ILE A 13 -10.430 -9.118 -6.785 1.00 5.97 O ATOM 208 CB ILE A 13 -10.223 -7.163 -9.277 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.831 -5.779 -9.810 1.00 4.64 C ATOM 210 CG2 ILE A 13 -11.134 -7.878 -10.268 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.504 -5.271 -9.282 1.00 5.04 C ATOM 0 H ILE A 13 -9.154 -6.756 -6.782 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.827 -6.463 -7.996 1.00 5.00 H new ATOM 0 HB ILE A 13 -9.315 -7.754 -9.156 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -9.787 -5.819 -10.898 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -10.612 -5.065 -9.549 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.634 -7.953 -11.233 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.361 -8.878 -9.898 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -12.060 -7.315 -10.382 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -8.297 -4.288 -9.704 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -8.549 -5.197 -8.195 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -7.711 -5.962 -9.566 1.00 5.04 H new ATOM 223 N THR A 14 -12.496 -8.855 -7.653 1.00 6.06 N ATOM 224 CA THR A 14 -12.971 -10.174 -7.249 1.00 6.90 C ATOM 225 C THR A 14 -12.929 -11.132 -8.438 1.00 7.04 C ATOM 226 O THR A 14 -13.327 -10.771 -9.546 1.00 6.70 O ATOM 227 CB THR A 14 -14.406 -10.122 -6.683 1.00 7.48 C ATOM 228 OG1 THR A 14 -14.808 -11.428 -6.248 1.00 7.14 O ATOM 229 CG2 THR A 14 -15.393 -9.607 -7.724 1.00 8.28 C ATOM 0 H THR A 14 -13.190 -8.293 -8.145 1.00 6.06 H new ATOM 0 HA THR A 14 -12.310 -10.530 -6.459 1.00 6.90 H new ATOM 0 HB THR A 14 -14.408 -9.435 -5.837 1.00 7.48 H new ATOM 0 HG1 THR A 14 -15.719 -11.387 -5.889 1.00 7.14 H new ATOM 0 HG21 THR A 14 -16.395 -9.582 -7.295 1.00 8.28 H new ATOM 0 HG22 THR A 14 -15.105 -8.602 -8.032 1.00 8.28 H new ATOM 0 HG23 THR A 14 -15.386 -10.268 -8.591 1.00 8.28 H new ATOM 237 N LEU A 15 -12.443 -12.349 -8.204 1.00 7.82 N ATOM 238 CA LEU A 15 -12.338 -13.350 -9.262 1.00 8.34 C ATOM 239 C LEU A 15 -12.848 -14.706 -8.783 1.00 9.47 C ATOM 240 O LEU A 15 -12.849 -14.990 -7.585 1.00 10.02 O ATOM 241 CB LEU A 15 -10.881 -13.482 -9.720 1.00 8.35 C ATOM 242 CG LEU A 15 -10.218 -12.180 -10.181 1.00 8.95 C ATOM 243 CD1 LEU A 15 -8.715 -12.369 -10.318 1.00 8.50 C ATOM 244 CD2 LEU A 15 -10.818 -11.708 -11.499 1.00 9.28 C ATOM 0 H LEU A 15 -12.116 -12.665 -7.291 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.954 -13.023 -10.099 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.296 -13.897 -8.899 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.838 -14.201 -10.538 1.00 8.35 H new ATOM 0 HG LEU A 15 -10.404 -11.415 -9.427 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -8.259 -11.435 -10.646 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -8.295 -12.659 -9.355 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -8.512 -13.149 -11.052 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -10.333 -10.782 -11.809 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -10.665 -12.471 -12.262 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -11.886 -11.533 -11.371 1.00 9.28 H new ATOM 256 N GLU A 16 -13.283 -15.538 -9.728 1.00 9.94 N ATOM 257 CA GLU A 16 -13.794 -16.870 -9.408 1.00 11.04 C ATOM 258 C GLU A 16 -13.012 -17.952 -10.155 1.00 11.87 C ATOM 259 O GLU A 16 -13.254 -18.196 -11.338 1.00 12.00 O ATOM 260 CB GLU A 16 -15.281 -16.967 -9.761 1.00 11.14 C ATOM 261 CG GLU A 16 -16.143 -15.924 -9.068 1.00 10.90 C ATOM 262 CD GLU A 16 -15.955 -15.920 -7.563 1.00 11.52 C ATOM 263 OE1 GLU A 16 -16.133 -16.990 -6.940 1.00 11.47 O ATOM 264 OE2 GLU A 16 -15.624 -14.851 -7.009 1.00 12.19 O ATOM 0 H GLU A 16 -13.292 -15.313 -10.723 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.668 -17.030 -8.337 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.397 -16.863 -10.840 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.644 -17.960 -9.496 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.902 -14.937 -9.463 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -17.191 -16.112 -9.299 1.00 10.90 H new ATOM 271 N VAL A 17 -12.068 -18.591 -9.462 1.00 12.56 N ATOM 272 CA VAL A 17 -11.259 -19.647 -10.069 1.00 13.49 C ATOM 273 C VAL A 17 -10.756 -20.649 -9.023 1.00 14.65 C ATOM 274 O VAL A 17 -9.985 -20.293 -8.130 1.00 14.73 O ATOM 275 CB VAL A 17 -10.059 -19.048 -10.840 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.138 -18.273 -9.905 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.295 -20.138 -11.574 1.00 12.71 C ATOM 0 H VAL A 17 -11.846 -18.397 -8.486 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.902 -20.180 -10.769 1.00 13.49 H new ATOM 0 HB VAL A 17 -10.448 -18.348 -11.579 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.303 -17.863 -10.474 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -9.694 -17.459 -9.439 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -8.757 -18.941 -9.133 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.455 -19.696 -12.110 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -8.923 -20.868 -10.856 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -9.958 -20.632 -12.284 1.00 12.71 H new ATOM 287 N GLU A 18 -11.215 -21.903 -9.128 1.00 15.63 N ATOM 288 CA GLU A 18 -10.828 -22.974 -8.201 1.00 16.83 C ATOM 289 C GLU A 18 -9.314 -23.120 -8.020 1.00 17.34 C ATOM 290 O GLU A 18 -8.525 -22.533 -8.761 1.00 16.99 O ATOM 291 CB GLU A 18 -11.421 -24.301 -8.689 1.00 17.72 C ATOM 292 CG GLU A 18 -12.936 -24.285 -8.806 1.00 17.49 C ATOM 293 CD GLU A 18 -13.501 -25.620 -9.255 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.568 -25.855 -10.480 1.00 16.92 O ATOM 295 OE2 GLU A 18 -13.874 -26.431 -8.381 1.00 18.57 O ATOM 0 H GLU A 18 -11.863 -22.203 -9.856 1.00 15.63 H new ATOM 0 HA GLU A 18 -11.226 -22.702 -7.223 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -10.993 -24.545 -9.661 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -11.126 -25.095 -8.003 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -13.368 -24.018 -7.842 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -13.234 -23.512 -9.514 1.00 17.49 H new ATOM 302 N PRO A 19 -8.902 -23.923 -7.010 1.00 18.22 N ATOM 303 CA PRO A 19 -7.489 -24.172 -6.695 1.00 18.80 C ATOM 304 C PRO A 19 -6.770 -25.007 -7.755 1.00 19.40 C ATOM 305 O PRO A 19 -5.547 -24.951 -7.867 1.00 19.49 O ATOM 306 CB PRO A 19 -7.533 -24.940 -5.364 1.00 19.89 C ATOM 307 CG PRO A 19 -8.923 -24.773 -4.857 1.00 19.55 C ATOM 308 CD PRO A 19 -9.786 -24.637 -6.075 1.00 18.79 C ATOM 0 HA PRO A 19 -6.933 -23.236 -6.650 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.292 -25.993 -5.510 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.806 -24.542 -4.656 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.226 -25.630 -4.256 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -9.004 -23.893 -4.220 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.093 -25.607 -6.466 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.697 -24.075 -5.867 1.00 18.79 H new ATOM 316 N SER A 20 -7.530 -25.781 -8.525 1.00 19.87 N ATOM 317 CA SER A 20 -6.955 -26.634 -9.567 1.00 20.59 C ATOM 318 C SER A 20 -6.729 -25.859 -10.866 1.00 19.81 C ATOM 319 O SER A 20 -6.761 -26.434 -11.954 1.00 20.40 O ATOM 320 CB SER A 20 -7.874 -27.831 -9.825 1.00 21.46 C ATOM 321 OG SER A 20 -8.064 -28.593 -8.645 1.00 21.29 O ATOM 0 H SER A 20 -8.546 -25.837 -8.449 1.00 19.87 H new ATOM 0 HA SER A 20 -5.985 -26.987 -9.216 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.838 -27.480 -10.194 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.445 -28.462 -10.604 1.00 21.46 H new ATOM 0 HG SER A 20 -8.656 -29.350 -8.836 1.00 21.29 H new ATOM 327 N ASP A 21 -6.490 -24.554 -10.744 1.00 18.56 N ATOM 328 CA ASP A 21 -6.254 -23.702 -11.908 1.00 17.80 C ATOM 329 C ASP A 21 -4.844 -23.117 -11.876 1.00 17.76 C ATOM 330 O ASP A 21 -4.349 -22.725 -10.821 1.00 17.65 O ATOM 331 CB ASP A 21 -7.287 -22.577 -11.959 1.00 16.48 C ATOM 332 CG ASP A 21 -8.695 -23.095 -12.193 1.00 16.21 C ATOM 333 OD1 ASP A 21 -9.331 -23.546 -11.219 1.00 16.77 O ATOM 334 OD2 ASP A 21 -9.160 -23.048 -13.352 1.00 15.53 O ATOM 0 H ASP A 21 -6.455 -24.064 -9.850 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.352 -24.315 -12.804 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -7.259 -22.019 -11.023 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.022 -21.880 -12.754 1.00 16.48 H new ATOM 339 N THR A 22 -4.202 -23.064 -13.039 1.00 17.95 N ATOM 340 CA THR A 22 -2.847 -22.530 -13.146 1.00 18.00 C ATOM 341 C THR A 22 -2.836 -21.010 -13.020 1.00 16.68 C ATOM 342 O THR A 22 -3.810 -20.345 -13.372 1.00 15.89 O ATOM 343 CB THR A 22 -2.192 -22.920 -14.487 1.00 18.92 C ATOM 344 OG1 THR A 22 -2.950 -22.383 -15.578 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.097 -24.432 -14.628 1.00 20.15 C ATOM 0 H THR A 22 -4.598 -23.385 -13.922 1.00 17.95 H new ATOM 0 HA THR A 22 -2.276 -22.965 -12.325 1.00 18.00 H new ATOM 0 HB THR A 22 -1.184 -22.506 -14.504 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.526 -22.634 -16.425 1.00 19.12 H new ATOM 0 HG21 THR A 22 -1.632 -24.680 -15.582 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.495 -24.836 -13.814 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.097 -24.865 -14.589 1.00 20.15 H new ATOM 353 N ILE A 23 -1.727 -20.466 -12.521 1.00 16.47 N ATOM 354 CA ILE A 23 -1.591 -19.022 -12.359 1.00 15.26 C ATOM 355 C ILE A 23 -1.720 -18.322 -13.707 1.00 15.04 C ATOM 356 O ILE A 23 -2.289 -17.236 -13.799 1.00 14.00 O ATOM 357 CB ILE A 23 -0.246 -18.644 -11.693 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.347 -18.768 -10.167 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.178 -17.231 -12.080 1.00 14.03 C ATOM 360 CD1 ILE A 23 -0.633 -20.173 -9.676 1.00 14.76 C ATOM 0 H ILE A 23 -0.913 -21.003 -12.223 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.395 -18.689 -11.702 1.00 15.26 H new ATOM 0 HB ILE A 23 0.513 -19.339 -12.052 1.00 15.26 H new ATOM 0 HG12 ILE A 23 0.587 -18.423 -9.723 1.00 15.58 H new ATOM 0 HG13 ILE A 23 -1.134 -18.103 -9.811 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.126 -16.991 -11.598 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.295 -17.170 -13.162 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.583 -16.521 -11.756 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -0.689 -20.174 -8.587 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -1.582 -20.516 -10.088 1.00 14.76 H new ATOM 0 HD13 ILE A 23 0.166 -20.841 -9.999 1.00 14.76 H new ATOM 372 N GLU A 24 -1.192 -18.958 -14.752 1.00 16.12 N ATOM 373 CA GLU A 24 -1.265 -18.402 -16.098 1.00 16.23 C ATOM 374 C GLU A 24 -2.725 -18.290 -16.521 1.00 15.75 C ATOM 375 O GLU A 24 -3.145 -17.282 -17.090 1.00 15.19 O ATOM 376 CB GLU A 24 -0.489 -19.287 -17.080 1.00 17.64 C ATOM 377 CG GLU A 24 -0.099 -18.581 -18.372 1.00 17.99 C ATOM 378 CD GLU A 24 -1.299 -18.128 -19.183 1.00 19.37 C ATOM 379 OE1 GLU A 24 -2.003 -18.997 -19.739 1.00 19.87 O ATOM 380 OE2 GLU A 24 -1.534 -16.903 -19.264 1.00 19.99 O ATOM 0 H GLU A 24 -0.711 -19.855 -14.691 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.815 -17.409 -16.104 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.414 -19.651 -16.590 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.094 -20.160 -17.323 1.00 17.64 H new ATOM 0 HG2 GLU A 24 0.520 -17.716 -18.135 1.00 17.99 H new ATOM 0 HG3 GLU A 24 0.510 -19.252 -18.977 1.00 17.99 H new ATOM 387 N ASN A 25 -3.497 -19.337 -16.225 1.00 16.04 N ATOM 388 CA ASN A 25 -4.917 -19.362 -16.552 1.00 15.65 C ATOM 389 C ASN A 25 -5.638 -18.221 -15.842 1.00 14.26 C ATOM 390 O ASN A 25 -6.483 -17.545 -16.429 1.00 13.66 O ATOM 391 CB ASN A 25 -5.533 -20.708 -16.153 1.00 16.38 C ATOM 392 CG ASN A 25 -7.028 -20.758 -16.402 1.00 16.31 C ATOM 393 OD1 ASN A 25 -7.828 -20.420 -15.528 1.00 16.31 O ATOM 394 ND2 ASN A 25 -7.414 -21.185 -17.600 1.00 16.35 N ATOM 0 H ASN A 25 -3.159 -20.179 -15.759 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.030 -19.234 -17.629 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.047 -21.507 -16.714 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -5.337 -20.895 -15.097 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -8.407 -21.243 -17.825 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -6.717 -21.455 -18.294 1.00 16.35 H new ATOM 401 N VAL A 26 -5.298 -18.019 -14.569 1.00 13.80 N ATOM 402 CA VAL A 26 -5.896 -16.950 -13.778 1.00 12.52 C ATOM 403 C VAL A 26 -5.557 -15.591 -14.379 1.00 11.74 C ATOM 404 O VAL A 26 -6.413 -14.712 -14.467 1.00 10.85 O ATOM 405 CB VAL A 26 -5.415 -16.986 -12.311 1.00 12.37 C ATOM 406 CG1 VAL A 26 -6.016 -15.833 -11.517 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.761 -18.319 -11.663 1.00 13.28 C ATOM 0 H VAL A 26 -4.612 -18.582 -14.066 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.975 -17.105 -13.793 1.00 12.52 H new ATOM 0 HB VAL A 26 -4.331 -16.875 -12.307 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -5.664 -15.878 -10.487 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.712 -14.886 -11.963 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -7.103 -15.909 -11.532 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -5.413 -18.323 -10.630 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.841 -18.464 -11.683 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.277 -19.127 -12.212 1.00 13.28 H new ATOM 417 N LYS A 27 -4.302 -15.430 -14.794 1.00 12.21 N ATOM 418 CA LYS A 27 -3.849 -14.182 -15.396 1.00 11.77 C ATOM 419 C LYS A 27 -4.635 -13.889 -16.666 1.00 11.96 C ATOM 420 O LYS A 27 -4.816 -12.730 -17.042 1.00 11.29 O ATOM 421 CB LYS A 27 -2.349 -14.237 -15.695 1.00 12.57 C ATOM 422 CG LYS A 27 -1.482 -14.148 -14.449 1.00 12.29 C ATOM 423 CD LYS A 27 -0.001 -14.116 -14.793 1.00 13.09 C ATOM 424 CE LYS A 27 0.856 -13.946 -13.548 1.00 12.80 C ATOM 425 NZ LYS A 27 2.309 -13.926 -13.870 1.00 13.67 N ATOM 0 H LYS A 27 -3.582 -16.149 -14.724 1.00 12.21 H new ATOM 0 HA LYS A 27 -4.025 -13.375 -14.685 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.124 -15.166 -16.220 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.090 -13.420 -16.368 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.744 -13.252 -13.887 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.687 -15.001 -13.802 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.275 -15.039 -15.303 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.195 -13.298 -15.486 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.584 -13.019 -13.044 1.00 12.80 H new ATOM 0 HE3 LYS A 27 0.650 -14.759 -12.852 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 2.849 -14.295 -13.061 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 2.488 -14.519 -14.705 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 2.607 -12.950 -14.069 1.00 13.67 H new ATOM 439 N ALA A 28 -5.098 -14.950 -17.326 1.00 12.96 N ATOM 440 CA ALA A 28 -5.891 -14.809 -18.539 1.00 13.31 C ATOM 441 C ALA A 28 -7.271 -14.271 -18.187 1.00 12.36 C ATOM 442 O ALA A 28 -7.827 -13.438 -18.902 1.00 12.18 O ATOM 443 CB ALA A 28 -6.001 -16.144 -19.262 1.00 14.55 C ATOM 0 H ALA A 28 -4.936 -15.915 -17.038 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.398 -14.104 -19.208 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.597 -16.020 -20.166 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.005 -16.496 -19.529 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.480 -16.873 -18.609 1.00 14.55 H new ATOM 449 N LYS A 29 -7.808 -14.752 -17.065 1.00 11.88 N ATOM 450 CA LYS A 29 -9.115 -14.319 -16.586 1.00 11.02 C ATOM 451 C LYS A 29 -9.068 -12.831 -16.266 1.00 9.90 C ATOM 452 O LYS A 29 -9.939 -12.065 -16.677 1.00 9.41 O ATOM 453 CB LYS A 29 -9.510 -15.115 -15.337 1.00 10.98 C ATOM 454 CG LYS A 29 -10.997 -15.068 -15.016 1.00 12.12 C ATOM 455 CD LYS A 29 -11.825 -15.735 -16.106 1.00 12.25 C ATOM 456 CE LYS A 29 -13.242 -16.025 -15.637 1.00 13.42 C ATOM 457 NZ LYS A 29 -13.948 -14.790 -15.196 1.00 13.70 N ATOM 0 H LYS A 29 -7.353 -15.445 -16.471 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.860 -14.498 -17.361 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -9.211 -16.154 -15.472 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -8.952 -14.731 -14.483 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -11.180 -15.565 -14.063 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -11.313 -14.031 -14.901 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -11.857 -15.091 -16.984 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.345 -16.665 -16.410 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -13.803 -16.494 -16.446 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -13.212 -16.739 -14.814 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -14.936 -15.019 -14.965 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -13.476 -14.402 -14.354 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -13.926 -14.085 -15.961 1.00 13.70 H new ATOM 471 N ILE A 30 -8.038 -12.437 -15.520 1.00 9.57 N ATOM 472 CA ILE A 30 -7.838 -11.042 -15.158 1.00 8.57 C ATOM 473 C ILE A 30 -7.653 -10.200 -16.417 1.00 8.97 C ATOM 474 O ILE A 30 -8.203 -9.107 -16.536 1.00 8.49 O ATOM 475 CB ILE A 30 -6.602 -10.871 -14.250 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.759 -11.704 -12.974 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.393 -9.401 -13.907 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.500 -11.782 -12.137 1.00 8.06 C ATOM 0 H ILE A 30 -7.327 -13.071 -15.154 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.721 -10.709 -14.612 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.723 -11.226 -14.788 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.560 -11.279 -12.370 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -7.067 -12.714 -13.246 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.517 -9.298 -13.266 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.241 -8.832 -14.824 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.271 -9.021 -13.385 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.689 -12.388 -11.251 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.701 -12.236 -12.723 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.202 -10.778 -11.833 1.00 8.06 H new ATOM 490 N GLN A 31 -6.871 -10.730 -17.353 1.00 10.07 N ATOM 491 CA GLN A 31 -6.605 -10.055 -18.620 1.00 10.78 C ATOM 492 C GLN A 31 -7.902 -9.826 -19.397 1.00 10.96 C ATOM 493 O GLN A 31 -8.012 -8.879 -20.174 1.00 11.22 O ATOM 494 CB GLN A 31 -5.624 -10.892 -19.456 1.00 12.02 C ATOM 495 CG GLN A 31 -5.580 -10.531 -20.938 1.00 12.96 C ATOM 496 CD GLN A 31 -5.037 -9.138 -21.198 1.00 14.24 C ATOM 497 OE1 GLN A 31 -5.220 -8.227 -20.395 1.00 14.59 O ATOM 498 NE2 GLN A 31 -4.363 -8.967 -22.329 1.00 15.04 N ATOM 0 H GLN A 31 -6.407 -11.633 -17.256 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.160 -9.082 -18.411 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -4.624 -10.779 -19.039 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -5.892 -11.944 -19.360 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -4.962 -11.259 -21.464 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -6.585 -10.606 -21.354 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -4.234 -9.751 -22.969 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -3.975 -8.052 -22.558 1.00 15.04 H new ATOM 507 N ASP A 32 -8.879 -10.701 -19.178 1.00 10.94 N ATOM 508 CA ASP A 32 -10.168 -10.594 -19.855 1.00 11.14 C ATOM 509 C ASP A 32 -11.013 -9.478 -19.246 1.00 10.25 C ATOM 510 O ASP A 32 -11.733 -8.776 -19.954 1.00 10.60 O ATOM 511 CB ASP A 32 -10.931 -11.920 -19.782 1.00 11.35 C ATOM 512 CG ASP A 32 -10.169 -13.074 -20.411 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.484 -12.851 -21.432 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.258 -14.201 -19.880 1.00 12.47 O ATOM 0 H ASP A 32 -8.803 -11.491 -18.538 1.00 10.94 H new ATOM 0 HA ASP A 32 -9.974 -10.355 -20.901 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.142 -12.156 -18.739 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -11.892 -11.809 -20.284 1.00 11.35 H new ATOM 519 N LYS A 33 -10.913 -9.322 -17.928 1.00 9.23 N ATOM 520 CA LYS A 33 -11.674 -8.301 -17.213 1.00 8.49 C ATOM 521 C LYS A 33 -10.950 -6.950 -17.197 1.00 8.32 C ATOM 522 O LYS A 33 -11.433 -5.974 -17.772 1.00 8.52 O ATOM 523 CB LYS A 33 -11.933 -8.757 -15.774 1.00 7.63 C ATOM 524 CG LYS A 33 -12.796 -10.005 -15.671 1.00 7.20 C ATOM 525 CD LYS A 33 -12.918 -10.479 -14.230 1.00 6.55 C ATOM 526 CE LYS A 33 -13.879 -11.650 -14.105 1.00 6.99 C ATOM 527 NZ LYS A 33 -13.960 -12.153 -12.706 1.00 6.67 N ATOM 0 H LYS A 33 -10.311 -9.891 -17.333 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.619 -8.169 -17.741 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -10.977 -8.946 -15.285 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.416 -7.947 -15.227 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -13.788 -9.797 -16.072 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -12.365 -10.799 -16.281 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -11.936 -10.772 -13.859 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -13.263 -9.656 -13.604 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.870 -11.344 -14.439 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -13.556 -12.457 -14.763 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -14.838 -12.697 -12.583 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -13.143 -12.765 -12.509 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -13.956 -11.348 -12.047 1.00 6.67 H new ATOM 541 N GLU A 34 -9.790 -6.902 -16.538 1.00 8.14 N ATOM 542 CA GLU A 34 -9.017 -5.664 -16.409 1.00 8.06 C ATOM 543 C GLU A 34 -8.214 -5.305 -17.664 1.00 9.21 C ATOM 544 O GLU A 34 -7.649 -4.212 -17.740 1.00 9.60 O ATOM 545 CB GLU A 34 -8.067 -5.764 -15.212 1.00 7.25 C ATOM 546 CG GLU A 34 -8.774 -5.995 -13.885 1.00 6.20 C ATOM 547 CD GLU A 34 -7.842 -5.844 -12.695 1.00 6.09 C ATOM 548 OE1 GLU A 34 -7.579 -4.692 -12.289 1.00 6.20 O ATOM 549 OE2 GLU A 34 -7.376 -6.876 -12.166 1.00 6.14 O ATOM 0 H GLU A 34 -9.364 -7.710 -16.084 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.745 -4.866 -16.261 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.364 -6.579 -15.385 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.482 -4.847 -15.147 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.598 -5.289 -13.789 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -9.208 -6.995 -13.878 1.00 6.20 H new ATOM 556 N GLY A 35 -8.159 -6.202 -18.641 1.00 9.92 N ATOM 557 CA GLY A 35 -7.410 -5.920 -19.860 1.00 11.11 C ATOM 558 C GLY A 35 -5.924 -5.698 -19.619 1.00 11.26 C ATOM 559 O GLY A 35 -5.265 -5.000 -20.393 1.00 12.20 O ATOM 0 H GLY A 35 -8.615 -7.114 -18.616 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -7.538 -6.749 -20.556 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.829 -5.035 -20.338 1.00 11.11 H new ATOM 563 N ILE A 36 -5.393 -6.294 -18.553 1.00 10.40 N ATOM 564 CA ILE A 36 -3.974 -6.164 -18.221 1.00 10.49 C ATOM 565 C ILE A 36 -3.192 -7.382 -18.718 1.00 11.27 C ATOM 566 O ILE A 36 -3.460 -8.507 -18.296 1.00 11.07 O ATOM 567 CB ILE A 36 -3.765 -6.019 -16.698 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.614 -4.867 -16.148 1.00 8.55 C ATOM 569 CG2 ILE A 36 -2.292 -5.795 -16.380 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.609 -4.774 -14.637 1.00 7.28 C ATOM 0 H ILE A 36 -5.925 -6.873 -17.903 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.606 -5.265 -18.715 1.00 10.49 H new ATOM 0 HB ILE A 36 -4.084 -6.943 -16.217 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -4.248 -3.928 -16.562 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -5.641 -4.988 -16.492 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -2.164 -5.695 -15.302 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -1.709 -6.644 -16.738 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -1.948 -4.886 -16.872 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -5.231 -3.936 -14.322 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -5.004 -5.698 -14.214 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -3.589 -4.621 -14.285 1.00 7.28 H new ATOM 582 N PRO A 37 -2.219 -7.180 -19.628 1.00 12.32 N ATOM 583 CA PRO A 37 -1.406 -8.276 -20.174 1.00 13.26 C ATOM 584 C PRO A 37 -0.785 -9.138 -19.075 1.00 12.81 C ATOM 585 O PRO A 37 -0.260 -8.614 -18.093 1.00 12.09 O ATOM 586 CB PRO A 37 -0.313 -7.553 -20.966 1.00 14.23 C ATOM 587 CG PRO A 37 -0.911 -6.237 -21.326 1.00 14.14 C ATOM 588 CD PRO A 37 -1.834 -5.873 -20.195 1.00 12.79 C ATOM 0 HA PRO A 37 -2.001 -8.963 -20.776 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.590 -7.427 -20.369 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -0.031 -8.116 -21.856 1.00 14.23 H new ATOM 0 HG2 PRO A 37 -0.137 -5.480 -21.456 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -1.456 -6.301 -22.268 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.335 -5.246 -19.456 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.703 -5.318 -20.549 1.00 12.79 H new ATOM 596 N PRO A 38 -0.830 -10.475 -19.232 1.00 13.33 N ATOM 597 CA PRO A 38 -0.273 -11.408 -18.243 1.00 13.21 C ATOM 598 C PRO A 38 1.235 -11.240 -18.083 1.00 13.55 C ATOM 599 O PRO A 38 1.789 -11.494 -17.012 1.00 13.14 O ATOM 600 CB PRO A 38 -0.602 -12.790 -18.819 1.00 14.22 C ATOM 601 CG PRO A 38 -0.825 -12.559 -20.275 1.00 14.34 C ATOM 602 CD PRO A 38 -1.411 -11.180 -20.387 1.00 14.21 C ATOM 0 HA PRO A 38 -0.689 -11.243 -17.249 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.215 -13.492 -18.651 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.488 -13.214 -18.346 1.00 14.22 H new ATOM 0 HG2 PRO A 38 0.110 -12.632 -20.830 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.502 -13.306 -20.690 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.140 -10.702 -21.329 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.500 -11.200 -20.341 1.00 14.21 H new ATOM 610 N ASP A 39 1.889 -10.810 -19.159 1.00 14.37 N ATOM 611 CA ASP A 39 3.334 -10.604 -19.155 1.00 14.81 C ATOM 612 C ASP A 39 3.722 -9.465 -18.218 1.00 13.75 C ATOM 613 O ASP A 39 4.847 -9.413 -17.720 1.00 13.74 O ATOM 614 CB ASP A 39 3.827 -10.304 -20.573 1.00 15.96 C ATOM 615 CG ASP A 39 3.364 -11.345 -21.577 1.00 16.45 C ATOM 616 OD1 ASP A 39 2.232 -11.213 -22.088 1.00 16.96 O ATOM 617 OD2 ASP A 39 4.132 -12.292 -21.848 1.00 16.42 O ATOM 0 H ASP A 39 1.438 -10.597 -20.049 1.00 14.37 H new ATOM 0 HA ASP A 39 3.806 -11.519 -18.796 1.00 14.81 H new ATOM 0 HB2 ASP A 39 3.468 -9.322 -20.880 1.00 15.96 H new ATOM 0 HB3 ASP A 39 4.916 -10.260 -20.575 1.00 15.96 H new ATOM 622 N GLN A 40 2.778 -8.556 -17.981 1.00 12.90 N ATOM 623 CA GLN A 40 3.010 -7.414 -17.103 1.00 11.90 C ATOM 624 C GLN A 40 2.433 -7.667 -15.714 1.00 10.64 C ATOM 625 O GLN A 40 2.780 -6.977 -14.755 1.00 9.67 O ATOM 626 CB GLN A 40 2.387 -6.149 -17.700 1.00 11.91 C ATOM 627 CG GLN A 40 3.103 -5.640 -18.941 1.00 13.23 C ATOM 628 CD GLN A 40 4.526 -5.202 -18.653 1.00 13.45 C ATOM 629 OE1 GLN A 40 5.464 -5.992 -18.753 1.00 14.45 O ATOM 630 NE2 GLN A 40 4.692 -3.936 -18.287 1.00 12.63 N ATOM 0 H GLN A 40 1.843 -8.590 -18.387 1.00 12.90 H new ATOM 0 HA GLN A 40 4.087 -7.274 -17.011 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.345 -6.351 -17.950 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.387 -5.364 -16.944 1.00 11.91 H new ATOM 0 HG2 GLN A 40 3.114 -6.425 -19.697 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.546 -4.802 -19.359 1.00 13.23 H new ATOM 0 HE21 GLN A 40 3.886 -3.315 -18.217 1.00 12.63 H new ATOM 0 HE22 GLN A 40 5.626 -3.584 -18.076 1.00 12.63 H new ATOM 639 N GLN A 41 1.557 -8.664 -15.610 1.00 10.76 N ATOM 640 CA GLN A 41 0.928 -8.998 -14.336 1.00 9.79 C ATOM 641 C GLN A 41 1.849 -9.831 -13.452 1.00 9.92 C ATOM 642 O GLN A 41 2.321 -10.896 -13.853 1.00 10.91 O ATOM 643 CB GLN A 41 -0.378 -9.768 -14.558 1.00 9.99 C ATOM 644 CG GLN A 41 -1.538 -8.903 -15.028 1.00 9.70 C ATOM 645 CD GLN A 41 -2.855 -9.663 -15.075 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.010 -10.647 -14.194 1.00 9.65 O flip ATOM 647 NE2 GLN A 41 -3.726 -9.368 -15.891 1.00 10.21 N flip ATOM 0 H GLN A 41 1.268 -9.253 -16.391 1.00 10.76 H new ATOM 0 HA GLN A 41 0.718 -8.055 -13.832 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.203 -10.553 -15.293 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.660 -10.260 -13.627 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.641 -8.047 -14.361 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.314 -8.510 -16.020 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -3.570 -8.606 -16.551 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -4.605 -9.885 -15.908 1.00 10.21 H new ATOM 656 N ARG A 42 2.096 -9.331 -12.245 1.00 9.04 N ATOM 657 CA ARG A 42 2.924 -10.027 -11.269 1.00 9.21 C ATOM 658 C ARG A 42 2.097 -10.247 -10.009 1.00 8.55 C ATOM 659 O ARG A 42 1.603 -9.295 -9.412 1.00 7.55 O ATOM 660 CB ARG A 42 4.201 -9.239 -10.961 1.00 8.92 C ATOM 661 CG ARG A 42 5.220 -10.030 -10.151 1.00 9.32 C ATOM 662 CD ARG A 42 6.541 -9.285 -10.018 1.00 8.97 C ATOM 663 NE ARG A 42 6.475 -8.213 -9.026 1.00 9.07 N ATOM 664 CZ ARG A 42 7.504 -7.426 -8.720 1.00 8.61 C ATOM 665 NH1 ARG A 42 8.666 -7.572 -9.344 1.00 8.06 N ATOM 666 NH2 ARG A 42 7.369 -6.488 -7.793 1.00 8.89 N ATOM 0 H ARG A 42 1.730 -8.437 -11.918 1.00 9.04 H new ATOM 0 HA ARG A 42 3.239 -10.988 -11.675 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.659 -8.923 -11.898 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.937 -8.334 -10.414 1.00 8.92 H new ATOM 0 HG2 ARG A 42 4.816 -10.233 -9.159 1.00 9.32 H new ATOM 0 HG3 ARG A 42 5.394 -10.994 -10.628 1.00 9.32 H new ATOM 0 HD2 ARG A 42 7.326 -9.988 -9.739 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.818 -8.866 -10.985 1.00 8.97 H new ATOM 0 HE ARG A 42 5.591 -8.060 -8.541 1.00 9.07 H new ATOM 0 HH11 ARG A 42 8.773 -8.289 -10.061 1.00 8.06 H new ATOM 0 HH12 ARG A 42 9.452 -6.967 -9.107 1.00 8.06 H new ATOM 0 HH21 ARG A 42 6.476 -6.369 -7.314 1.00 8.89 H new ATOM 0 HH22 ARG A 42 8.158 -5.885 -7.559 1.00 8.89 H new ATOM 680 N LEU A 43 1.946 -11.503 -9.606 1.00 9.27 N ATOM 681 CA LEU A 43 1.132 -11.832 -8.440 1.00 9.04 C ATOM 682 C LEU A 43 1.984 -12.216 -7.239 1.00 9.51 C ATOM 683 O LEU A 43 2.883 -13.049 -7.340 1.00 10.56 O ATOM 684 CB LEU A 43 0.165 -12.968 -8.780 1.00 9.79 C ATOM 685 CG LEU A 43 -0.842 -12.660 -9.894 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.730 -13.867 -10.161 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.688 -11.442 -9.538 1.00 8.15 C ATOM 0 H LEU A 43 2.373 -12.307 -10.066 1.00 9.27 H new ATOM 0 HA LEU A 43 0.568 -10.939 -8.171 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.746 -13.843 -9.070 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.386 -13.236 -7.879 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.285 -12.434 -10.803 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.438 -13.629 -10.955 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -1.113 -14.712 -10.466 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -2.276 -14.125 -9.253 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.395 -11.242 -10.343 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.234 -11.636 -8.615 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.040 -10.576 -9.401 1.00 8.15 H new ATOM 699 N ILE A 44 1.693 -11.584 -6.105 1.00 8.83 N ATOM 700 CA ILE A 44 2.401 -11.856 -4.861 1.00 9.35 C ATOM 701 C ILE A 44 1.449 -12.439 -3.820 1.00 9.75 C ATOM 702 O ILE A 44 0.451 -11.816 -3.457 1.00 9.11 O ATOM 703 CB ILE A 44 3.071 -10.585 -4.297 1.00 8.53 C ATOM 704 CG1 ILE A 44 4.016 -9.978 -5.341 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.822 -10.906 -3.008 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.846 -8.822 -4.821 1.00 9.33 C ATOM 0 H ILE A 44 0.965 -10.874 -6.024 1.00 8.83 H new ATOM 0 HA ILE A 44 3.182 -12.582 -5.085 1.00 9.35 H new ATOM 0 HB ILE A 44 2.297 -9.853 -4.066 1.00 8.53 H new ATOM 0 HG12 ILE A 44 4.685 -10.757 -5.707 1.00 8.20 H new ATOM 0 HG13 ILE A 44 3.428 -9.636 -6.193 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.289 -9.999 -2.623 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.124 -11.297 -2.268 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.591 -11.652 -3.211 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.488 -8.448 -5.618 1.00 9.33 H new ATOM 0 HD12 ILE A 44 4.186 -8.024 -4.482 1.00 9.33 H new ATOM 0 HD13 ILE A 44 5.462 -9.162 -3.988 1.00 9.33 H new ATOM 718 N PHE A 45 1.768 -13.642 -3.349 1.00 10.94 N ATOM 719 CA PHE A 45 0.949 -14.325 -2.352 1.00 11.61 C ATOM 720 C PHE A 45 1.803 -14.775 -1.176 1.00 12.55 C ATOM 721 O PHE A 45 2.704 -15.598 -1.332 1.00 13.34 O ATOM 722 CB PHE A 45 0.234 -15.534 -2.963 1.00 12.32 C ATOM 723 CG PHE A 45 -0.551 -16.335 -1.961 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.862 -16.002 -1.658 1.00 12.72 C ATOM 725 CD2 PHE A 45 0.026 -17.421 -1.317 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.582 -16.736 -0.733 1.00 13.62 C ATOM 727 CE2 PHE A 45 -0.689 -18.158 -0.392 1.00 15.27 C ATOM 728 CZ PHE A 45 -1.995 -17.815 -0.100 1.00 14.88 C ATOM 0 H PHE A 45 2.592 -14.166 -3.644 1.00 10.94 H new ATOM 0 HA PHE A 45 0.198 -13.618 -1.998 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.439 -15.190 -3.749 1.00 12.32 H new ATOM 0 HB3 PHE A 45 0.972 -16.182 -3.436 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -2.326 -15.160 -2.150 1.00 12.72 H new ATOM 0 HD2 PHE A 45 1.047 -17.693 -1.542 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.603 -16.466 -0.505 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.228 -19.001 0.102 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.556 -18.389 0.622 1.00 14.88 H new ATOM 738 N ALA A 46 1.507 -14.235 0.002 1.00 12.55 N ATOM 739 CA ALA A 46 2.246 -14.575 1.212 1.00 13.48 C ATOM 740 C ALA A 46 3.730 -14.238 1.072 1.00 13.42 C ATOM 741 O ALA A 46 4.571 -14.790 1.783 1.00 14.38 O ATOM 742 CB ALA A 46 2.059 -16.049 1.550 1.00 14.76 C ATOM 0 H ALA A 46 0.758 -13.558 0.144 1.00 12.55 H new ATOM 0 HA ALA A 46 1.847 -13.975 2.030 1.00 13.48 H new ATOM 0 HB1 ALA A 46 2.616 -16.288 2.456 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.001 -16.254 1.711 1.00 14.76 H new ATOM 0 HB3 ALA A 46 2.426 -16.661 0.726 1.00 14.76 H new ATOM 748 N GLY A 47 4.040 -13.324 0.156 1.00 12.34 N ATOM 749 CA GLY A 47 5.419 -12.919 -0.061 1.00 12.25 C ATOM 750 C GLY A 47 6.077 -13.664 -1.212 1.00 12.73 C ATOM 751 O GLY A 47 7.176 -13.306 -1.640 1.00 12.99 O ATOM 0 H GLY A 47 3.359 -12.855 -0.441 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.451 -11.848 -0.261 1.00 12.25 H new ATOM 0 HA3 GLY A 47 5.991 -13.090 0.851 1.00 12.25 H new ATOM 755 N LYS A 48 5.406 -14.703 -1.712 1.00 12.95 N ATOM 756 CA LYS A 48 5.924 -15.507 -2.819 1.00 13.60 C ATOM 757 C LYS A 48 5.886 -14.724 -4.135 1.00 12.95 C ATOM 758 O LYS A 48 5.748 -13.501 -4.128 1.00 12.25 O ATOM 759 CB LYS A 48 5.111 -16.800 -2.953 1.00 14.88 C ATOM 760 CG LYS A 48 5.049 -17.620 -1.672 1.00 15.77 C ATOM 761 CD LYS A 48 6.409 -18.197 -1.305 1.00 16.95 C ATOM 762 CE LYS A 48 6.367 -18.906 0.039 1.00 16.96 C ATOM 763 NZ LYS A 48 5.331 -19.975 0.074 1.00 17.08 N ATOM 0 H LYS A 48 4.497 -15.008 -1.365 1.00 12.95 H new ATOM 0 HA LYS A 48 6.963 -15.755 -2.602 1.00 13.60 H new ATOM 0 HB2 LYS A 48 4.096 -16.550 -3.263 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.545 -17.411 -3.744 1.00 14.88 H new ATOM 0 HG2 LYS A 48 4.688 -16.994 -0.856 1.00 15.77 H new ATOM 0 HG3 LYS A 48 4.331 -18.431 -1.794 1.00 15.77 H new ATOM 0 HD2 LYS A 48 6.729 -18.897 -2.077 1.00 16.95 H new ATOM 0 HD3 LYS A 48 7.149 -17.397 -1.273 1.00 16.95 H new ATOM 0 HE2 LYS A 48 7.344 -19.341 0.250 1.00 16.96 H new ATOM 0 HE3 LYS A 48 6.165 -18.179 0.826 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 5.447 -20.543 0.938 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 4.385 -19.542 0.068 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 5.436 -20.588 -0.760 1.00 17.08 H new ATOM 777 N GLN A 49 5.995 -15.435 -5.267 1.00 13.28 N ATOM 778 CA GLN A 49 5.999 -14.781 -6.580 1.00 12.91 C ATOM 779 C GLN A 49 4.937 -15.326 -7.544 1.00 13.82 C ATOM 780 O GLN A 49 4.670 -14.703 -8.572 1.00 14.97 O ATOM 781 CB GLN A 49 7.387 -14.904 -7.222 1.00 13.03 C ATOM 782 CG GLN A 49 8.028 -16.277 -7.070 1.00 12.43 C ATOM 783 CD GLN A 49 7.165 -17.398 -7.618 1.00 12.64 C ATOM 784 OE1 GLN A 49 6.387 -18.011 -6.887 1.00 12.65 O ATOM 785 NE2 GLN A 49 7.300 -17.672 -8.911 1.00 12.96 N ATOM 0 H GLN A 49 6.081 -16.451 -5.299 1.00 13.28 H new ATOM 0 HA GLN A 49 5.750 -13.735 -6.400 1.00 12.91 H new ATOM 0 HB2 GLN A 49 7.306 -14.669 -8.283 1.00 13.03 H new ATOM 0 HB3 GLN A 49 8.046 -14.157 -6.780 1.00 13.03 H new ATOM 0 HG2 GLN A 49 8.989 -16.282 -7.583 1.00 12.43 H new ATOM 0 HG3 GLN A 49 8.229 -16.463 -6.015 1.00 12.43 H new ATOM 0 HE21 GLN A 49 7.957 -17.138 -9.480 1.00 12.96 H new ATOM 0 HE22 GLN A 49 6.746 -18.416 -9.335 1.00 12.96 H new ATOM 794 N LEU A 50 4.333 -16.472 -7.224 1.00 13.33 N ATOM 795 CA LEU A 50 3.306 -17.076 -8.089 1.00 14.13 C ATOM 796 C LEU A 50 3.853 -17.362 -9.491 1.00 14.81 C ATOM 797 O LEU A 50 4.051 -16.445 -10.290 1.00 14.27 O ATOM 798 CB LEU A 50 2.078 -16.162 -8.196 1.00 13.38 C ATOM 799 CG LEU A 50 1.229 -16.039 -6.926 1.00 12.72 C ATOM 800 CD1 LEU A 50 0.513 -17.349 -6.626 1.00 12.09 C ATOM 801 CD2 LEU A 50 2.086 -15.615 -5.744 1.00 13.76 C ATOM 0 H LEU A 50 4.533 -17.002 -6.376 1.00 13.33 H new ATOM 0 HA LEU A 50 3.013 -18.020 -7.631 1.00 14.13 H new ATOM 0 HB2 LEU A 50 2.413 -15.166 -8.485 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.443 -16.530 -9.001 1.00 13.38 H new ATOM 0 HG LEU A 50 0.476 -15.269 -7.096 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.084 -17.239 -5.720 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.139 -17.607 -7.461 1.00 12.09 H new ATOM 0 HD13 LEU A 50 1.248 -18.141 -6.482 1.00 12.09 H new ATOM 0 HD21 LEU A 50 1.463 -15.534 -4.853 1.00 13.76 H new ATOM 0 HD22 LEU A 50 2.866 -16.358 -5.575 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.545 -14.649 -5.955 1.00 13.76 H new ATOM 813 N GLU A 51 4.089 -18.640 -9.784 1.00 16.07 N ATOM 814 CA GLU A 51 4.609 -19.049 -11.088 1.00 16.92 C ATOM 815 C GLU A 51 3.482 -19.390 -12.061 1.00 17.12 C ATOM 816 O GLU A 51 2.578 -20.159 -11.732 1.00 17.35 O ATOM 817 CB GLU A 51 5.543 -20.252 -10.931 1.00 18.22 C ATOM 818 CG GLU A 51 6.132 -20.742 -12.245 1.00 19.07 C ATOM 819 CD GLU A 51 6.821 -19.637 -13.024 1.00 20.22 C ATOM 820 OE1 GLU A 51 7.933 -19.233 -12.625 1.00 21.00 O ATOM 821 OE2 GLU A 51 6.247 -19.174 -14.034 1.00 20.40 O ATOM 0 H GLU A 51 3.928 -19.411 -9.135 1.00 16.07 H new ATOM 0 HA GLU A 51 5.167 -18.208 -11.500 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.356 -19.985 -10.256 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.994 -21.069 -10.462 1.00 18.22 H new ATOM 0 HG2 GLU A 51 6.847 -21.539 -12.043 1.00 19.07 H new ATOM 0 HG3 GLU A 51 5.339 -21.172 -12.856 1.00 19.07 H new ATOM 828 N ASP A 52 3.556 -18.812 -13.262 1.00 17.11 N ATOM 829 CA ASP A 52 2.559 -19.042 -14.309 1.00 17.32 C ATOM 830 C ASP A 52 2.129 -20.506 -14.355 1.00 18.50 C ATOM 831 O ASP A 52 0.953 -20.816 -14.167 1.00 18.49 O ATOM 832 CB ASP A 52 3.116 -18.614 -15.670 1.00 17.56 C ATOM 833 CG ASP A 52 3.559 -17.163 -15.678 1.00 16.47 C ATOM 834 OD1 ASP A 52 2.722 -16.287 -15.989 1.00 16.20 O ATOM 835 OD2 ASP A 52 4.740 -16.900 -15.368 1.00 15.96 O ATOM 0 H ASP A 52 4.304 -18.175 -13.535 1.00 17.11 H new ATOM 0 HA ASP A 52 1.681 -18.441 -14.075 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.961 -19.251 -15.932 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.355 -18.764 -16.436 1.00 17.56 H new ATOM 840 N GLY A 53 3.086 -21.402 -14.605 1.00 19.52 N ATOM 841 CA GLY A 53 2.774 -22.821 -14.656 1.00 20.72 C ATOM 842 C GLY A 53 2.000 -23.266 -13.429 1.00 20.81 C ATOM 843 O GLY A 53 0.799 -23.524 -13.511 1.00 21.79 O ATOM 0 H GLY A 53 4.065 -21.171 -14.772 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.191 -23.034 -15.552 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.698 -23.395 -14.733 1.00 20.72 H new ATOM 847 N ARG A 54 2.712 -23.395 -12.307 1.00 19.86 N ATOM 848 CA ARG A 54 2.124 -23.780 -11.015 1.00 20.02 C ATOM 849 C ARG A 54 0.651 -23.385 -10.873 1.00 19.36 C ATOM 850 O ARG A 54 0.180 -22.432 -11.492 1.00 18.53 O ATOM 851 CB ARG A 54 2.927 -23.157 -9.869 1.00 19.57 C ATOM 852 CG ARG A 54 4.353 -23.676 -9.753 1.00 20.34 C ATOM 853 CD ARG A 54 4.387 -25.178 -9.512 1.00 21.73 C ATOM 854 NE ARG A 54 5.685 -25.624 -9.007 1.00 22.50 N ATOM 855 CZ ARG A 54 5.947 -26.879 -8.652 1.00 23.45 C ATOM 856 NH1 ARG A 54 5.010 -27.811 -8.760 1.00 23.75 N ATOM 857 NH2 ARG A 54 7.146 -27.203 -8.190 1.00 24.16 N ATOM 0 H ARG A 54 3.719 -23.235 -12.266 1.00 19.86 H new ATOM 0 HA ARG A 54 2.168 -24.868 -10.971 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.956 -22.076 -10.006 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.406 -23.346 -8.930 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.901 -23.441 -10.665 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.861 -23.165 -8.935 1.00 20.34 H new ATOM 0 HD2 ARG A 54 3.608 -25.448 -8.799 1.00 21.73 H new ATOM 0 HD3 ARG A 54 4.162 -25.699 -10.442 1.00 21.73 H new ATOM 0 HE ARG A 54 6.431 -24.934 -8.922 1.00 22.50 H new ATOM 0 HH11 ARG A 54 4.086 -27.566 -9.116 1.00 23.75 H new ATOM 0 HH12 ARG A 54 5.213 -28.773 -8.487 1.00 23.75 H new ATOM 0 HH21 ARG A 54 7.870 -26.490 -8.106 1.00 24.16 H new ATOM 0 HH22 ARG A 54 7.345 -28.166 -7.918 1.00 24.16 H new ATOM 871 N THR A 55 -0.053 -24.121 -10.011 1.00 19.79 N ATOM 872 CA THR A 55 -1.474 -23.889 -9.759 1.00 19.31 C ATOM 873 C THR A 55 -1.702 -23.357 -8.345 1.00 18.56 C ATOM 874 O THR A 55 -0.817 -23.435 -7.493 1.00 18.57 O ATOM 875 CB THR A 55 -2.290 -25.184 -9.957 1.00 20.43 C ATOM 876 OG1 THR A 55 -3.669 -24.951 -9.654 1.00 21.36 O ATOM 877 CG2 THR A 55 -1.759 -26.307 -9.076 1.00 21.11 C ATOM 0 H THR A 55 0.344 -24.890 -9.471 1.00 19.79 H new ATOM 0 HA THR A 55 -1.812 -23.142 -10.477 1.00 19.31 H new ATOM 0 HB THR A 55 -2.192 -25.484 -11.000 1.00 20.43 H new ATOM 0 HG1 THR A 55 -3.852 -25.226 -8.731 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.353 -27.207 -9.236 1.00 21.11 H new ATOM 0 HG22 THR A 55 -0.719 -26.509 -9.331 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.825 -26.010 -8.029 1.00 21.11 H new ATOM 885 N LEU A 56 -2.891 -22.802 -8.106 1.00 17.96 N ATOM 886 CA LEU A 56 -3.241 -22.262 -6.792 1.00 17.35 C ATOM 887 C LEU A 56 -2.983 -23.286 -5.687 1.00 18.41 C ATOM 888 O LEU A 56 -2.427 -22.955 -4.639 1.00 18.24 O ATOM 889 CB LEU A 56 -4.714 -21.837 -6.756 1.00 16.66 C ATOM 890 CG LEU A 56 -5.059 -20.525 -7.472 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.109 -19.408 -7.061 1.00 14.99 C ATOM 892 CD2 LEU A 56 -5.045 -20.716 -8.980 1.00 14.57 C ATOM 0 H LEU A 56 -3.628 -22.715 -8.806 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.609 -21.391 -6.619 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.311 -22.635 -7.197 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.020 -21.749 -5.713 1.00 16.66 H new ATOM 0 HG LEU A 56 -6.066 -20.235 -7.172 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -4.378 -18.491 -7.584 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -4.181 -19.247 -5.985 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -3.087 -19.686 -7.319 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -5.292 -19.773 -9.468 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -4.053 -21.040 -9.297 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -5.779 -21.472 -9.258 1.00 14.57 H new ATOM 904 N SER A 57 -3.386 -24.531 -5.935 1.00 19.54 N ATOM 905 CA SER A 57 -3.218 -25.610 -4.963 1.00 20.67 C ATOM 906 C SER A 57 -1.750 -25.804 -4.586 1.00 21.10 C ATOM 907 O SER A 57 -1.441 -26.230 -3.473 1.00 21.74 O ATOM 908 CB SER A 57 -3.792 -26.915 -5.520 1.00 21.76 C ATOM 909 OG SER A 57 -3.659 -27.972 -4.587 1.00 21.61 O ATOM 0 H SER A 57 -3.833 -24.818 -6.805 1.00 19.54 H new ATOM 0 HA SER A 57 -3.761 -25.331 -4.060 1.00 20.67 H new ATOM 0 HB2 SER A 57 -4.844 -26.776 -5.768 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.278 -27.176 -6.445 1.00 21.76 H new ATOM 0 HG SER A 57 -4.035 -28.793 -4.967 1.00 21.61 H new ATOM 915 N ASP A 58 -0.852 -25.491 -5.517 1.00 20.79 N ATOM 916 CA ASP A 58 0.582 -25.638 -5.278 1.00 21.19 C ATOM 917 C ASP A 58 1.046 -24.707 -4.160 1.00 20.53 C ATOM 918 O ASP A 58 1.926 -25.060 -3.374 1.00 21.09 O ATOM 919 CB ASP A 58 1.369 -25.353 -6.560 1.00 20.98 C ATOM 920 CG ASP A 58 2.869 -25.486 -6.364 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.376 -26.627 -6.407 1.00 21.87 O ATOM 922 OD2 ASP A 58 3.536 -24.447 -6.170 1.00 23.14 O ATOM 0 H ASP A 58 -1.091 -25.135 -6.442 1.00 20.79 H new ATOM 0 HA ASP A 58 0.770 -26.666 -4.970 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.046 -26.041 -7.341 1.00 20.98 H new ATOM 0 HB3 ASP A 58 1.139 -24.346 -6.907 1.00 20.98 H new ATOM 927 N TYR A 59 0.447 -23.520 -4.095 1.00 19.37 N ATOM 928 CA TYR A 59 0.798 -22.534 -3.076 1.00 18.69 C ATOM 929 C TYR A 59 -0.191 -22.563 -1.910 1.00 18.82 C ATOM 930 O TYR A 59 -0.187 -21.668 -1.064 1.00 18.30 O ATOM 931 CB TYR A 59 0.844 -21.133 -3.692 1.00 17.29 C ATOM 932 CG TYR A 59 1.991 -20.933 -4.660 1.00 17.19 C ATOM 933 CD1 TYR A 59 3.248 -20.550 -4.206 1.00 17.22 C ATOM 934 CD2 TYR A 59 1.817 -21.125 -6.025 1.00 17.17 C ATOM 935 CE1 TYR A 59 4.298 -20.365 -5.086 1.00 17.25 C ATOM 936 CE2 TYR A 59 2.863 -20.942 -6.910 1.00 17.26 C ATOM 937 CZ TYR A 59 4.100 -20.562 -6.437 1.00 17.30 C ATOM 938 OH TYR A 59 5.142 -20.378 -7.316 1.00 17.49 O ATOM 0 H TYR A 59 -0.285 -23.217 -4.737 1.00 19.37 H new ATOM 0 HA TYR A 59 1.784 -22.788 -2.688 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.095 -20.942 -4.211 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.922 -20.396 -2.893 1.00 17.29 H new ATOM 0 HD1 TYR A 59 3.407 -20.395 -3.149 1.00 17.22 H new ATOM 0 HD2 TYR A 59 0.849 -21.422 -6.401 1.00 17.17 H new ATOM 0 HE1 TYR A 59 5.269 -20.068 -4.718 1.00 17.25 H new ATOM 0 HE2 TYR A 59 2.711 -21.096 -7.968 1.00 17.26 H new ATOM 0 HH TYR A 59 5.562 -19.508 -7.148 1.00 17.49 H new ATOM 948 N ASN A 60 -1.034 -23.596 -1.869 1.00 19.61 N ATOM 949 CA ASN A 60 -2.022 -23.746 -0.799 1.00 19.94 C ATOM 950 C ASN A 60 -2.954 -22.537 -0.730 1.00 18.78 C ATOM 951 O ASN A 60 -3.342 -22.098 0.354 1.00 18.73 O ATOM 952 CB ASN A 60 -1.316 -23.958 0.544 1.00 20.73 C ATOM 953 CG ASN A 60 -0.546 -25.264 0.584 1.00 21.53 C ATOM 954 OD1 ASN A 60 -0.981 -26.236 1.199 1.00 21.59 O ATOM 955 ND2 ASN A 60 0.598 -25.297 -0.092 1.00 22.24 N ATOM 0 H ASN A 60 -1.052 -24.342 -2.565 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.632 -24.622 -1.020 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.633 -23.129 0.729 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -2.054 -23.948 1.346 1.00 20.73 H new ATOM 0 HD21 ASN A 60 1.153 -26.153 -0.114 1.00 22.24 H new ATOM 0 HD22 ASN A 60 0.921 -24.467 -0.588 1.00 22.24 H new ATOM 962 N ILE A 61 -3.316 -22.013 -1.898 1.00 17.93 N ATOM 963 CA ILE A 61 -4.203 -20.858 -1.982 1.00 16.80 C ATOM 964 C ILE A 61 -5.664 -21.296 -2.012 1.00 17.14 C ATOM 965 O ILE A 61 -6.104 -21.964 -2.949 1.00 17.46 O ATOM 966 CB ILE A 61 -3.893 -20.001 -3.226 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.416 -19.587 -3.218 1.00 15.44 C ATOM 968 CG2 ILE A 61 -4.797 -18.774 -3.268 1.00 14.52 C ATOM 969 CD1 ILE A 61 -1.980 -18.831 -4.454 1.00 14.60 C ATOM 0 H ILE A 61 -3.007 -22.372 -2.802 1.00 17.93 H new ATOM 0 HA ILE A 61 -4.031 -20.252 -1.092 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.086 -20.593 -4.121 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.228 -18.968 -2.341 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.800 -20.480 -3.115 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.564 -18.181 -4.152 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.839 -19.091 -3.308 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.635 -18.172 -2.374 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -0.924 -18.575 -4.370 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.133 -19.454 -5.335 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.568 -17.918 -4.549 1.00 14.60 H new ATOM 981 N GLN A 62 -6.407 -20.911 -0.976 1.00 17.17 N ATOM 982 CA GLN A 62 -7.820 -21.267 -0.861 1.00 17.56 C ATOM 983 C GLN A 62 -8.710 -20.043 -1.067 1.00 16.44 C ATOM 984 O GLN A 62 -8.244 -18.989 -1.503 1.00 15.35 O ATOM 985 CB GLN A 62 -8.100 -21.896 0.508 1.00 18.57 C ATOM 986 CG GLN A 62 -7.206 -23.085 0.836 1.00 19.77 C ATOM 987 CD GLN A 62 -7.257 -24.170 -0.224 1.00 20.75 C ATOM 988 OE1 GLN A 62 -6.332 -24.116 -1.174 1.00 21.49 O flip ATOM 989 NE2 GLN A 62 -8.114 -25.053 -0.183 1.00 20.83 N flip ATOM 0 H GLN A 62 -6.052 -20.350 -0.201 1.00 17.17 H new ATOM 0 HA GLN A 62 -8.051 -21.994 -1.640 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.974 -21.136 1.279 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -9.141 -22.216 0.544 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -6.178 -22.741 0.948 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -7.507 -23.506 1.795 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -8.807 -25.057 0.566 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -8.131 -25.781 -0.898 1.00 20.83 H new ATOM 998 N LYS A 63 -9.995 -20.196 -0.756 1.00 16.74 N ATOM 999 CA LYS A 63 -10.966 -19.111 -0.900 1.00 15.83 C ATOM 1000 C LYS A 63 -10.609 -17.923 -0.007 1.00 15.40 C ATOM 1001 O LYS A 63 -9.848 -18.059 0.952 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.367 -19.616 -0.544 1.00 16.42 C ATOM 1003 CG LYS A 63 -12.462 -20.204 0.857 1.00 17.58 C ATOM 1004 CD LYS A 63 -13.861 -20.722 1.153 1.00 18.15 C ATOM 1005 CE LYS A 63 -13.927 -21.401 2.513 1.00 19.19 C ATOM 1006 NZ LYS A 63 -15.290 -21.925 2.805 1.00 18.86 N ATOM 0 H LYS A 63 -10.391 -21.066 -0.400 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.946 -18.778 -1.938 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -13.075 -18.792 -0.633 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.667 -20.373 -1.268 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -11.743 -21.017 0.961 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.192 -19.444 1.590 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.570 -19.895 1.123 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.161 -21.427 0.378 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -13.208 -22.220 2.545 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -13.637 -20.691 3.288 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -15.294 -22.380 3.740 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -15.972 -21.140 2.799 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -15.557 -22.621 2.080 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.167 -16.757 -0.339 1.00 14.33 N ATOM 1021 CA GLU A 64 -10.937 -15.536 0.432 1.00 13.93 C ATOM 1022 C GLU A 64 -9.448 -15.187 0.509 1.00 13.56 C ATOM 1023 O GLU A 64 -8.996 -14.577 1.479 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.509 -15.690 1.846 1.00 14.98 C ATOM 1025 CG GLU A 64 -12.963 -16.134 1.872 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.457 -16.419 3.278 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -13.953 -15.480 3.936 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -13.349 -17.582 3.721 1.00 16.92 O ATOM 0 H GLU A 64 -11.785 -16.634 -1.141 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.446 -14.720 -0.081 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -10.907 -16.414 2.395 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.419 -14.739 2.370 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.584 -15.360 1.422 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.077 -17.030 1.261 1.00 15.11 H new ATOM 1035 N SER A 65 -8.697 -15.565 -0.521 1.00 13.38 N ATOM 1036 CA SER A 65 -7.261 -15.293 -0.565 1.00 13.05 C ATOM 1037 C SER A 65 -6.972 -13.945 -1.219 1.00 11.65 C ATOM 1038 O SER A 65 -7.579 -13.594 -2.229 1.00 10.94 O ATOM 1039 CB SER A 65 -6.538 -16.401 -1.330 1.00 13.61 C ATOM 1040 OG SER A 65 -7.062 -16.544 -2.640 1.00 14.92 O ATOM 0 H SER A 65 -9.057 -16.060 -1.337 1.00 13.38 H new ATOM 0 HA SER A 65 -6.896 -15.261 0.462 1.00 13.05 H new ATOM 0 HB2 SER A 65 -5.473 -16.175 -1.384 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.637 -17.343 -0.791 1.00 13.61 H new ATOM 0 HG SER A 65 -7.531 -17.401 -2.713 1.00 14.92 H new ATOM 1046 N THR A 66 -6.035 -13.200 -0.638 1.00 11.29 N ATOM 1047 CA THR A 66 -5.654 -11.892 -1.165 1.00 9.99 C ATOM 1048 C THR A 66 -4.368 -11.990 -1.980 1.00 9.57 C ATOM 1049 O THR A 66 -3.360 -12.515 -1.503 1.00 10.12 O ATOM 1050 CB THR A 66 -5.460 -10.860 -0.036 1.00 9.92 C ATOM 1051 OG1 THR A 66 -4.451 -11.311 0.875 1.00 10.85 O ATOM 1052 CG2 THR A 66 -6.763 -10.628 0.714 1.00 8.71 C ATOM 0 H THR A 66 -5.525 -13.480 0.199 1.00 11.29 H new ATOM 0 HA THR A 66 -6.468 -11.558 -1.808 1.00 9.99 H new ATOM 0 HB THR A 66 -5.145 -9.918 -0.485 1.00 9.92 H new ATOM 0 HG1 THR A 66 -3.812 -11.881 0.399 1.00 10.85 H new ATOM 0 HG21 THR A 66 -6.602 -9.896 1.506 1.00 8.71 H new ATOM 0 HG22 THR A 66 -7.519 -10.255 0.023 1.00 8.71 H new ATOM 0 HG23 THR A 66 -7.103 -11.567 1.151 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.410 -11.486 -3.211 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.251 -11.520 -4.098 1.00 8.45 C ATOM 1062 C LEU A 67 -2.869 -10.113 -4.548 1.00 7.19 C ATOM 1063 O LEU A 67 -3.671 -9.405 -5.156 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.539 -12.392 -5.325 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.536 -13.905 -5.075 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.749 -14.324 -4.255 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.495 -14.659 -6.397 1.00 10.94 C ATOM 0 H LEU A 67 -5.237 -11.048 -3.617 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.417 -11.949 -3.542 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.511 -12.110 -5.729 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.798 -12.167 -6.091 1.00 8.71 H new ATOM 0 HG LEU A 67 -2.642 -14.156 -4.504 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -4.723 -15.401 -4.092 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -4.733 -13.811 -3.294 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -5.660 -14.060 -4.792 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.493 -15.732 -6.204 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -4.371 -14.399 -6.992 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.592 -14.387 -6.943 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.636 -9.719 -4.247 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.138 -8.401 -4.621 1.00 5.99 C ATOM 1081 C HIS A 68 -0.680 -8.384 -6.075 1.00 5.70 C ATOM 1082 O HIS A 68 0.290 -9.049 -6.438 1.00 6.53 O ATOM 1083 CB HIS A 68 0.012 -7.992 -3.696 1.00 6.18 C ATOM 1084 CG HIS A 68 0.739 -6.761 -4.140 1.00 6.68 C ATOM 1085 ND1 HIS A 68 2.021 -6.788 -4.647 1.00 6.45 N ATOM 1086 CD2 HIS A 68 0.366 -5.458 -4.140 1.00 7.71 C ATOM 1087 CE1 HIS A 68 2.405 -5.559 -4.936 1.00 7.36 C ATOM 1088 NE2 HIS A 68 1.419 -4.734 -4.640 1.00 8.09 N ATOM 0 H HIS A 68 -0.962 -10.296 -3.744 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.952 -7.683 -4.514 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.382 -7.827 -2.693 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.722 -8.817 -3.628 1.00 6.18 H new ATOM 0 HD2 HIS A 68 -0.583 -5.063 -3.808 1.00 7.71 H new ATOM 0 HE1 HIS A 68 3.364 -5.277 -5.345 1.00 7.36 H new ATOM 0 HE2 HIS A 68 1.437 -3.722 -4.763 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.383 -7.615 -6.901 1.00 4.81 N ATOM 1098 CA LEU A 69 -1.061 -7.507 -8.318 1.00 4.96 C ATOM 1099 C LEU A 69 -0.168 -6.293 -8.566 1.00 4.58 C ATOM 1100 O LEU A 69 -0.588 -5.149 -8.383 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.345 -7.404 -9.146 1.00 4.80 C ATOM 1102 CG LEU A 69 -2.198 -7.739 -10.636 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -3.563 -7.793 -11.308 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -1.300 -6.725 -11.334 1.00 5.42 C ATOM 0 H LEU A 69 -2.184 -7.055 -6.610 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.521 -8.403 -8.624 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -3.090 -8.071 -8.713 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.734 -6.390 -9.056 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.732 -8.721 -10.719 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -3.439 -8.032 -12.364 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -4.173 -8.560 -10.831 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -4.055 -6.825 -11.210 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -1.211 -6.983 -12.389 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -1.734 -5.729 -11.240 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -0.312 -6.736 -10.873 1.00 5.42 H new ATOM 1116 N VAL A 70 1.067 -6.560 -8.979 1.00 5.29 N ATOM 1117 CA VAL A 70 2.040 -5.511 -9.255 1.00 5.30 C ATOM 1118 C VAL A 70 2.481 -5.545 -10.715 1.00 6.23 C ATOM 1119 O VAL A 70 2.616 -6.616 -11.309 1.00 7.13 O ATOM 1120 CB VAL A 70 3.276 -5.621 -8.328 1.00 5.71 C ATOM 1121 CG1 VAL A 70 3.477 -7.054 -7.850 1.00 5.73 C ATOM 1122 CG2 VAL A 70 4.535 -5.107 -9.020 1.00 5.32 C ATOM 0 H VAL A 70 1.419 -7.505 -9.131 1.00 5.29 H new ATOM 0 HA VAL A 70 1.549 -4.558 -9.057 1.00 5.30 H new ATOM 0 HB VAL A 70 3.088 -4.993 -7.457 1.00 5.71 H new ATOM 0 HG11 VAL A 70 4.351 -7.102 -7.201 1.00 5.73 H new ATOM 0 HG12 VAL A 70 2.596 -7.380 -7.297 1.00 5.73 H new ATOM 0 HG13 VAL A 70 3.627 -7.707 -8.710 1.00 5.73 H new ATOM 0 HG21 VAL A 70 5.385 -5.198 -8.343 1.00 5.32 H new ATOM 0 HG22 VAL A 70 4.722 -5.695 -9.918 1.00 5.32 H new ATOM 0 HG23 VAL A 70 4.399 -4.061 -9.293 1.00 5.32 H new ATOM 1266 N GLU B 7 16.663 12.208 5.802 1.00 7.18 N ATOM 1267 CA GLU B 7 15.287 11.894 5.434 1.00 6.79 C ATOM 1268 C GLU B 7 15.070 10.388 5.527 1.00 6.27 C ATOM 1269 O GLU B 7 15.525 9.632 4.667 1.00 6.06 O ATOM 1270 CB GLU B 7 14.977 12.382 4.016 1.00 6.70 C ATOM 1271 CG GLU B 7 15.122 13.887 3.837 1.00 7.25 C ATOM 1272 CD GLU B 7 14.219 14.682 4.762 1.00 7.37 C ATOM 1273 OE1 GLU B 7 12.983 14.518 4.674 1.00 7.56 O ATOM 1274 OE2 GLU B 7 14.749 15.469 5.576 1.00 7.53 O ATOM 0 HA GLU B 7 14.614 12.404 6.123 1.00 6.79 H new ATOM 0 HB2 GLU B 7 15.641 11.877 3.315 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.959 12.091 3.756 1.00 6.70 H new ATOM 0 HG2 GLU B 7 16.159 14.171 4.017 1.00 7.25 H new ATOM 0 HG3 GLU B 7 14.895 14.148 2.803 1.00 7.25 H new ATOM 1281 N TYR B 8 14.381 9.959 6.579 1.00 6.11 N ATOM 1282 CA TYR B 8 14.110 8.542 6.792 1.00 5.67 C ATOM 1283 C TYR B 8 12.652 8.300 7.171 1.00 5.23 C ATOM 1284 O TYR B 8 11.890 9.241 7.393 1.00 5.37 O ATOM 1285 CB TYR B 8 15.039 7.971 7.867 1.00 5.93 C ATOM 1286 CG TYR B 8 15.120 8.811 9.122 1.00 6.40 C ATOM 1287 CD1 TYR B 8 14.199 8.650 10.149 1.00 6.73 C ATOM 1288 CD2 TYR B 8 16.121 9.759 9.278 1.00 6.75 C ATOM 1289 CE1 TYR B 8 14.274 9.414 11.298 1.00 7.19 C ATOM 1290 CE2 TYR B 8 16.204 10.525 10.423 1.00 7.21 C ATOM 1291 CZ TYR B 8 15.279 10.349 11.430 1.00 7.34 C ATOM 1292 OH TYR B 8 15.359 11.112 12.573 1.00 7.84 O ATOM 0 H TYR B 8 14.000 10.573 7.298 1.00 6.11 H new ATOM 0 HA TYR B 8 14.301 8.027 5.851 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.697 6.971 8.133 1.00 5.93 H new ATOM 0 HB3 TYR B 8 16.040 7.865 7.448 1.00 5.93 H new ATOM 0 HD1 TYR B 8 13.412 7.917 10.048 1.00 6.73 H new ATOM 0 HD2 TYR B 8 16.847 9.900 8.491 1.00 6.75 H new ATOM 0 HE1 TYR B 8 13.550 9.280 12.088 1.00 7.19 H new ATOM 0 HE2 TYR B 8 16.989 11.259 10.530 1.00 7.21 H new ATOM 0 HH TYR B 8 16.124 11.721 12.507 1.00 7.84 H new ATOM 1302 N CYS B 9 12.281 7.033 7.243 1.00 4.73 N ATOM 1303 CA CYS B 9 10.913 6.657 7.578 1.00 4.31 C ATOM 1304 C CYS B 9 10.866 5.336 8.338 1.00 3.91 C ATOM 1305 O CYS B 9 11.737 4.483 8.168 1.00 3.80 O ATOM 1306 CB CYS B 9 10.077 6.556 6.299 1.00 4.13 C ATOM 1307 SG CYS B 9 10.836 5.559 4.995 1.00 4.61 S ATOM 0 H CYS B 9 12.906 6.245 7.074 1.00 4.73 H new ATOM 0 HA CYS B 9 10.499 7.429 8.227 1.00 4.31 H new ATOM 0 HB2 CYS B 9 9.104 6.131 6.547 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.897 7.560 5.915 1.00 4.13 H new ATOM 0 HG CYS B 9 12.092 5.369 5.270 1.00 4.61 H new ATOM 1313 N ARG B 10 9.842 5.173 9.176 1.00 3.77 N ATOM 1314 CA ARG B 10 9.688 3.952 9.961 1.00 3.48 C ATOM 1315 C ARG B 10 8.673 3.030 9.298 1.00 3.02 C ATOM 1316 O ARG B 10 7.657 3.488 8.773 1.00 3.04 O ATOM 1317 CB ARG B 10 9.253 4.280 11.392 1.00 3.74 C ATOM 1318 CG ARG B 10 9.285 3.083 12.330 1.00 3.64 C ATOM 1319 CD ARG B 10 8.990 3.489 13.767 1.00 3.85 C ATOM 1320 NE ARG B 10 9.166 2.374 14.695 1.00 3.92 N ATOM 1321 CZ ARG B 10 9.207 2.510 16.019 1.00 4.05 C ATOM 1322 NH1 ARG B 10 9.085 3.709 16.573 1.00 4.22 N ATOM 1323 NH2 ARG B 10 9.373 1.445 16.790 1.00 4.43 N ATOM 0 H ARG B 10 9.111 5.868 9.327 1.00 3.77 H new ATOM 0 HA ARG B 10 10.651 3.444 10.005 1.00 3.48 H new ATOM 0 HB2 ARG B 10 9.902 5.060 11.790 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.242 4.687 11.371 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.554 2.344 12.003 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.264 2.607 12.280 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.648 4.309 14.055 1.00 3.85 H new ATOM 0 HD3 ARG B 10 7.968 3.861 13.837 1.00 3.85 H new ATOM 0 HE ARG B 10 9.263 1.436 14.306 1.00 3.92 H new ATOM 0 HH11 ARG B 10 8.959 4.532 15.984 1.00 4.22 H new ATOM 0 HH12 ARG B 10 9.117 3.808 17.588 1.00 4.22 H new ATOM 0 HH21 ARG B 10 9.469 0.521 16.369 1.00 4.43 H new ATOM 0 HH22 ARG B 10 9.404 1.549 17.804 1.00 4.43 H new ATOM 1337 N THR B 11 8.948 1.726 9.330 1.00 2.72 N ATOM 1338 CA THR B 11 8.059 0.745 8.720 1.00 2.35 C ATOM 1339 C THR B 11 6.930 0.348 9.665 1.00 2.40 C ATOM 1340 O THR B 11 7.178 -0.100 10.785 1.00 2.57 O ATOM 1341 CB THR B 11 8.826 -0.523 8.300 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.315 -1.205 9.461 1.00 2.48 O ATOM 1343 CG2 THR B 11 9.989 -0.173 7.382 1.00 2.15 C ATOM 0 H THR B 11 9.777 1.328 9.771 1.00 2.72 H new ATOM 0 HA THR B 11 7.634 1.219 7.835 1.00 2.35 H new ATOM 0 HB THR B 11 8.140 -1.174 7.758 1.00 2.15 H new ATOM 0 HG1 THR B 11 9.356 -2.168 9.282 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.516 -1.084 7.099 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.610 0.321 6.487 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.675 0.496 7.902 1.00 2.15 H new ATOM 1351 N LEU B 12 5.692 0.517 9.210 1.00 2.42 N ATOM 1352 CA LEU B 12 4.532 0.175 10.024 1.00 2.61 C ATOM 1353 C LEU B 12 4.140 -1.284 9.810 1.00 2.57 C ATOM 1354 O LEU B 12 3.466 -1.878 10.652 1.00 2.79 O ATOM 1355 CB LEU B 12 3.356 1.093 9.676 1.00 2.93 C ATOM 1356 CG LEU B 12 3.687 2.589 9.636 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.480 3.394 9.174 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.163 3.071 11.000 1.00 3.78 C ATOM 0 H LEU B 12 5.468 0.887 8.286 1.00 2.42 H new ATOM 0 HA LEU B 12 4.791 0.314 11.074 1.00 2.61 H new ATOM 0 HB2 LEU B 12 2.961 0.798 8.704 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.562 0.932 10.405 1.00 2.93 H new ATOM 0 HG LEU B 12 4.494 2.741 8.919 1.00 3.34 H new ATOM 0 HD11 LEU B 12 2.736 4.453 9.153 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.188 3.071 8.175 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.651 3.235 9.864 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.393 4.135 10.950 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.379 2.903 11.739 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.058 2.520 11.289 1.00 3.78 H new ATOM 1370 N PHE B 13 4.565 -1.857 8.687 1.00 2.42 N ATOM 1371 CA PHE B 13 4.265 -3.251 8.376 1.00 2.54 C ATOM 1372 C PHE B 13 5.392 -3.876 7.558 1.00 2.25 C ATOM 1373 O PHE B 13 6.145 -3.171 6.884 1.00 1.97 O ATOM 1374 CB PHE B 13 2.946 -3.347 7.604 1.00 2.93 C ATOM 1375 CG PHE B 13 1.766 -2.810 8.363 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.145 -3.576 9.337 1.00 3.89 C ATOM 1377 CD2 PHE B 13 1.278 -1.538 8.105 1.00 3.98 C ATOM 1378 CE1 PHE B 13 0.061 -3.085 10.038 1.00 4.60 C ATOM 1379 CE2 PHE B 13 0.193 -1.043 8.802 1.00 4.67 C ATOM 1380 CZ PHE B 13 -0.416 -1.817 9.771 1.00 4.88 C ATOM 0 H PHE B 13 5.118 -1.377 7.977 1.00 2.42 H new ATOM 0 HA PHE B 13 4.171 -3.799 9.314 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.043 -2.801 6.666 1.00 2.93 H new ATOM 0 HB3 PHE B 13 2.759 -4.390 7.348 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.513 -4.569 9.550 1.00 3.89 H new ATOM 0 HD2 PHE B 13 1.752 -0.927 7.351 1.00 3.98 H new ATOM 0 HE1 PHE B 13 -0.413 -3.692 10.795 1.00 4.60 H new ATOM 0 HE2 PHE B 13 -0.179 -0.052 8.590 1.00 4.67 H new ATOM 0 HZ PHE B 13 -1.263 -1.431 10.318 1.00 4.88 H new ATOM 1390 N PRO B 14 5.520 -5.213 7.606 1.00 2.42 N ATOM 1391 CA PRO B 14 6.566 -5.934 6.872 1.00 2.31 C ATOM 1392 C PRO B 14 6.310 -5.989 5.366 1.00 2.34 C ATOM 1393 O PRO B 14 5.167 -6.097 4.921 1.00 2.77 O ATOM 1394 CB PRO B 14 6.507 -7.340 7.472 1.00 2.76 C ATOM 1395 CG PRO B 14 5.098 -7.492 7.928 1.00 3.11 C ATOM 1396 CD PRO B 14 4.665 -6.128 8.388 1.00 2.88 C ATOM 0 HA PRO B 14 7.535 -5.445 6.970 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.769 -8.098 6.734 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.206 -7.447 8.301 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.462 -7.852 7.119 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.025 -8.219 8.737 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.607 -5.955 8.191 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.815 -6.000 9.460 1.00 2.88 H new ATOM 1404 N TYR B 15 7.389 -5.903 4.598 1.00 2.05 N ATOM 1405 CA TYR B 15 7.319 -5.965 3.142 1.00 2.18 C ATOM 1406 C TYR B 15 8.332 -6.970 2.604 1.00 2.20 C ATOM 1407 O TYR B 15 9.330 -6.597 1.985 1.00 2.06 O ATOM 1408 CB TYR B 15 7.570 -4.597 2.502 1.00 2.12 C ATOM 1409 CG TYR B 15 7.819 -4.692 1.010 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.936 -5.378 0.185 1.00 3.05 C ATOM 1411 CD2 TYR B 15 8.947 -4.121 0.430 1.00 2.50 C ATOM 1412 CE1 TYR B 15 7.169 -5.493 -1.172 1.00 3.52 C ATOM 1413 CE2 TYR B 15 9.184 -4.228 -0.927 1.00 2.98 C ATOM 1414 CZ TYR B 15 8.292 -4.917 -1.722 1.00 3.45 C ATOM 1415 OH TYR B 15 8.527 -5.030 -3.073 1.00 4.00 O ATOM 0 H TYR B 15 8.334 -5.789 4.964 1.00 2.05 H new ATOM 0 HA TYR B 15 6.310 -6.284 2.880 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.711 -3.951 2.683 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.429 -4.127 2.981 1.00 2.12 H new ATOM 0 HD1 TYR B 15 6.052 -5.829 0.612 1.00 3.05 H new ATOM 0 HD2 TYR B 15 9.649 -3.585 1.051 1.00 2.50 H new ATOM 0 HE1 TYR B 15 6.474 -6.032 -1.798 1.00 3.52 H new ATOM 0 HE2 TYR B 15 10.062 -3.775 -1.363 1.00 2.98 H new ATOM 0 HH TYR B 15 7.709 -5.328 -3.523 1.00 4.00 H new ATOM 1425 N THR B 16 8.089 -8.248 2.873 1.00 2.62 N ATOM 1426 CA THR B 16 8.978 -9.299 2.400 1.00 2.82 C ATOM 1427 C THR B 16 9.179 -9.197 0.891 1.00 2.71 C ATOM 1428 O THR B 16 8.236 -9.357 0.114 1.00 3.05 O ATOM 1429 CB THR B 16 8.445 -10.701 2.759 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.273 -10.810 4.177 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.395 -11.789 2.277 1.00 3.82 C ATOM 0 H THR B 16 7.289 -8.578 3.413 1.00 2.62 H new ATOM 0 HA THR B 16 9.936 -9.159 2.901 1.00 2.82 H new ATOM 0 HB THR B 16 7.485 -10.835 2.261 1.00 3.44 H new ATOM 0 HG1 THR B 16 7.933 -11.702 4.398 1.00 3.72 H new ATOM 0 HG21 THR B 16 8.994 -12.767 2.544 1.00 3.82 H new ATOM 0 HG22 THR B 16 9.503 -11.724 1.194 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.369 -11.656 2.747 1.00 3.82 H new ATOM 1439 N GLY B 17 10.419 -8.918 0.489 1.00 2.63 N ATOM 1440 CA GLY B 17 10.739 -8.796 -0.922 1.00 2.64 C ATOM 1441 C GLY B 17 10.486 -10.083 -1.679 1.00 2.86 C ATOM 1442 O GLY B 17 10.770 -11.171 -1.176 1.00 3.22 O ATOM 0 H GLY B 17 11.208 -8.774 1.119 1.00 2.63 H new ATOM 0 HA2 GLY B 17 10.143 -7.996 -1.360 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.785 -8.511 -1.032 1.00 2.64 H new ATOM 1446 N THR B 18 9.948 -9.959 -2.892 1.00 2.97 N ATOM 1447 CA THR B 18 9.653 -11.120 -3.721 1.00 3.40 C ATOM 1448 C THR B 18 10.706 -11.292 -4.813 1.00 3.24 C ATOM 1449 O THR B 18 10.924 -12.393 -5.320 1.00 3.53 O ATOM 1450 CB THR B 18 8.255 -10.997 -4.362 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.248 -10.994 -3.343 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.990 -12.132 -5.340 1.00 4.64 C ATOM 0 H THR B 18 9.709 -9.064 -3.320 1.00 2.97 H new ATOM 0 HA THR B 18 9.669 -11.998 -3.075 1.00 3.40 H new ATOM 0 HB THR B 18 8.222 -10.058 -4.914 1.00 4.01 H new ATOM 0 HG1 THR B 18 7.318 -11.815 -2.812 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.997 -12.015 -5.773 1.00 4.64 H new ATOM 0 HG22 THR B 18 8.737 -12.110 -6.134 1.00 4.64 H new ATOM 0 HG23 THR B 18 8.046 -13.085 -4.815 1.00 4.64 H new ATOM 1460 N ASN B 19 11.360 -10.182 -5.160 1.00 2.97 N ATOM 1461 CA ASN B 19 12.399 -10.177 -6.185 1.00 2.95 C ATOM 1462 C ASN B 19 13.729 -9.727 -5.589 1.00 2.53 C ATOM 1463 O ASN B 19 13.774 -9.177 -4.487 1.00 2.37 O ATOM 1464 CB ASN B 19 11.994 -9.261 -7.338 1.00 3.31 C ATOM 1465 CG ASN B 19 10.612 -9.591 -7.870 1.00 3.62 C ATOM 1466 OD1 ASN B 19 9.588 -9.031 -7.238 1.00 3.98 O flip ATOM 1467 ND2 ASN B 19 10.468 -10.349 -8.829 1.00 4.05 N flip ATOM 0 H ASN B 19 11.184 -9.269 -4.741 1.00 2.97 H new ATOM 0 HA ASN B 19 12.518 -11.190 -6.569 1.00 2.95 H new ATOM 0 HB2 ASN B 19 12.015 -8.224 -7.001 1.00 3.31 H new ATOM 0 HB3 ASN B 19 12.723 -9.349 -8.144 1.00 3.31 H new ATOM 0 HD21 ASN B 19 11.285 -10.757 -9.284 1.00 4.05 H new ATOM 0 HD22 ASN B 19 9.532 -10.570 -9.169 1.00 4.05 H new ATOM 1474 N GLU B 20 14.811 -9.967 -6.324 1.00 2.59 N ATOM 1475 CA GLU B 20 16.148 -9.617 -5.857 1.00 2.51 C ATOM 1476 C GLU B 20 16.355 -8.107 -5.814 1.00 2.43 C ATOM 1477 O GLU B 20 16.992 -7.593 -4.894 1.00 2.58 O ATOM 1478 CB GLU B 20 17.210 -10.265 -6.749 1.00 2.89 C ATOM 1479 CG GLU B 20 17.103 -11.781 -6.820 1.00 3.34 C ATOM 1480 CD GLU B 20 18.225 -12.408 -7.626 1.00 3.79 C ATOM 1481 OE1 GLU B 20 18.089 -12.496 -8.865 1.00 4.26 O ATOM 1482 OE2 GLU B 20 19.241 -12.807 -7.019 1.00 4.19 O ATOM 0 H GLU B 20 14.788 -10.403 -7.246 1.00 2.59 H new ATOM 0 HA GLU B 20 16.249 -9.997 -4.840 1.00 2.51 H new ATOM 0 HB2 GLU B 20 17.126 -9.856 -7.756 1.00 2.89 H new ATOM 0 HB3 GLU B 20 18.199 -9.996 -6.377 1.00 2.89 H new ATOM 0 HG2 GLU B 20 17.114 -12.190 -5.810 1.00 3.34 H new ATOM 0 HG3 GLU B 20 16.146 -12.054 -7.264 1.00 3.34 H new ATOM 1489 N ASP B 21 15.819 -7.395 -6.805 1.00 2.53 N ATOM 1490 CA ASP B 21 15.970 -5.943 -6.853 1.00 2.79 C ATOM 1491 C ASP B 21 15.087 -5.276 -5.801 1.00 2.58 C ATOM 1492 O ASP B 21 15.148 -4.063 -5.602 1.00 2.78 O ATOM 1493 CB ASP B 21 15.628 -5.409 -8.246 1.00 3.35 C ATOM 1494 CG ASP B 21 14.137 -5.445 -8.529 1.00 3.78 C ATOM 1495 OD1 ASP B 21 13.554 -6.550 -8.518 1.00 4.22 O ATOM 1496 OD2 ASP B 21 13.552 -4.366 -8.758 1.00 4.18 O ATOM 0 H ASP B 21 15.283 -7.794 -7.576 1.00 2.53 H new ATOM 0 HA ASP B 21 17.011 -5.703 -6.636 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.988 -4.384 -8.338 1.00 3.35 H new ATOM 0 HB3 ASP B 21 16.152 -6.000 -8.997 1.00 3.35 H new ATOM 1501 N GLU B 22 14.268 -6.086 -5.135 1.00 2.35 N ATOM 1502 CA GLU B 22 13.370 -5.594 -4.101 1.00 2.22 C ATOM 1503 C GLU B 22 14.046 -5.626 -2.734 1.00 1.84 C ATOM 1504 O GLU B 22 15.054 -6.308 -2.547 1.00 1.91 O ATOM 1505 CB GLU B 22 12.087 -6.432 -4.071 1.00 2.44 C ATOM 1506 CG GLU B 22 10.891 -5.748 -4.716 1.00 2.91 C ATOM 1507 CD GLU B 22 11.105 -5.453 -6.191 1.00 3.33 C ATOM 1508 OE1 GLU B 22 11.813 -4.473 -6.505 1.00 3.77 O ATOM 1509 OE2 GLU B 22 10.560 -6.199 -7.032 1.00 3.68 O ATOM 0 H GLU B 22 14.210 -7.091 -5.296 1.00 2.35 H new ATOM 0 HA GLU B 22 13.115 -4.560 -4.335 1.00 2.22 H new ATOM 0 HB2 GLU B 22 12.270 -7.378 -4.580 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.843 -6.669 -3.035 1.00 2.44 H new ATOM 0 HG2 GLU B 22 10.011 -6.381 -4.601 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.684 -4.816 -4.190 1.00 2.91 H new ATOM 1516 N LEU B 23 13.484 -4.889 -1.789 1.00 1.69 N ATOM 1517 CA LEU B 23 14.003 -4.856 -0.426 1.00 1.59 C ATOM 1518 C LEU B 23 13.042 -5.598 0.494 1.00 1.33 C ATOM 1519 O LEU B 23 11.836 -5.641 0.242 1.00 1.30 O ATOM 1520 CB LEU B 23 14.193 -3.412 0.046 1.00 1.92 C ATOM 1521 CG LEU B 23 15.405 -2.691 -0.555 1.00 2.39 C ATOM 1522 CD1 LEU B 23 15.527 -1.281 0.003 1.00 3.13 C ATOM 1523 CD2 LEU B 23 16.683 -3.477 -0.297 1.00 2.61 C ATOM 0 H LEU B 23 12.664 -4.302 -1.940 1.00 1.69 H new ATOM 0 HA LEU B 23 14.977 -5.345 -0.401 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.294 -2.845 -0.196 1.00 1.92 H new ATOM 0 HB3 LEU B 23 14.289 -3.410 1.132 1.00 1.92 H new ATOM 0 HG LEU B 23 15.255 -2.622 -1.632 1.00 2.39 H new ATOM 0 HD11 LEU B 23 16.394 -0.789 -0.438 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.627 -0.715 -0.238 1.00 3.13 H new ATOM 0 HD13 LEU B 23 15.647 -1.327 1.085 1.00 3.13 H new ATOM 0 HD21 LEU B 23 17.530 -2.947 -0.732 1.00 2.61 H new ATOM 0 HD22 LEU B 23 16.834 -3.583 0.777 1.00 2.61 H new ATOM 0 HD23 LEU B 23 16.601 -4.464 -0.751 1.00 2.61 H new ATOM 1535 N THR B 24 13.582 -6.178 1.562 1.00 1.49 N ATOM 1536 CA THR B 24 12.771 -6.911 2.529 1.00 1.61 C ATOM 1537 C THR B 24 12.784 -6.195 3.876 1.00 1.73 C ATOM 1538 O THR B 24 13.851 -5.900 4.412 1.00 2.12 O ATOM 1539 CB THR B 24 13.271 -8.362 2.702 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.357 -9.003 1.424 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.349 -9.166 3.610 1.00 2.46 C ATOM 0 H THR B 24 14.578 -6.155 1.780 1.00 1.49 H new ATOM 0 HA THR B 24 11.751 -6.948 2.147 1.00 1.61 H new ATOM 0 HB THR B 24 14.257 -8.321 3.165 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.676 -9.922 1.540 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.731 -10.182 3.709 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.306 -8.697 4.593 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.349 -9.195 3.178 1.00 2.46 H new ATOM 1549 N PHE B 25 11.606 -5.925 4.423 1.00 1.59 N ATOM 1550 CA PHE B 25 11.514 -5.206 5.694 1.00 1.85 C ATOM 1551 C PHE B 25 10.550 -5.854 6.676 1.00 2.01 C ATOM 1552 O PHE B 25 9.538 -6.425 6.273 1.00 2.00 O ATOM 1553 CB PHE B 25 11.045 -3.766 5.465 1.00 1.77 C ATOM 1554 CG PHE B 25 11.836 -3.001 4.448 1.00 1.55 C ATOM 1555 CD1 PHE B 25 12.957 -2.283 4.824 1.00 1.69 C ATOM 1556 CD2 PHE B 25 11.445 -2.978 3.119 1.00 1.98 C ATOM 1557 CE1 PHE B 25 13.679 -1.563 3.895 1.00 2.12 C ATOM 1558 CE2 PHE B 25 12.160 -2.256 2.185 1.00 2.46 C ATOM 1559 CZ PHE B 25 13.279 -1.547 2.574 1.00 2.49 C ATOM 0 H PHE B 25 10.709 -6.188 4.015 1.00 1.59 H new ATOM 0 HA PHE B 25 12.517 -5.232 6.120 1.00 1.85 H new ATOM 0 HB2 PHE B 25 10.001 -3.784 5.153 1.00 1.77 H new ATOM 0 HB3 PHE B 25 11.085 -3.231 6.414 1.00 1.77 H new ATOM 0 HD1 PHE B 25 13.271 -2.286 5.857 1.00 1.69 H new ATOM 0 HD2 PHE B 25 10.571 -3.532 2.810 1.00 1.98 H new ATOM 0 HE1 PHE B 25 14.556 -1.012 4.201 1.00 2.12 H new ATOM 0 HE2 PHE B 25 11.845 -2.246 1.152 1.00 2.46 H new ATOM 0 HZ PHE B 25 13.841 -0.981 1.846 1.00 2.49 H new ATOM 1569 N ARG B 26 10.877 -5.790 7.961 1.00 2.36 N ATOM 1570 CA ARG B 26 9.989 -6.301 8.994 1.00 2.64 C ATOM 1571 C ARG B 26 9.410 -5.120 9.770 1.00 2.55 C ATOM 1572 O ARG B 26 9.771 -3.972 9.508 1.00 2.38 O ATOM 1573 CB ARG B 26 10.726 -7.264 9.932 1.00 3.25 C ATOM 1574 CG ARG B 26 11.899 -6.631 10.666 1.00 3.51 C ATOM 1575 CD ARG B 26 12.545 -7.609 11.637 1.00 4.14 C ATOM 1576 NE ARG B 26 13.029 -8.813 10.966 1.00 4.69 N ATOM 1577 CZ ARG B 26 13.805 -9.723 11.549 1.00 5.47 C ATOM 1578 NH1 ARG B 26 14.188 -9.566 12.810 1.00 5.83 N ATOM 1579 NH2 ARG B 26 14.200 -10.792 10.870 1.00 6.21 N ATOM 0 H ARG B 26 11.748 -5.390 8.310 1.00 2.36 H new ATOM 0 HA ARG B 26 9.181 -6.865 8.528 1.00 2.64 H new ATOM 0 HB2 ARG B 26 10.019 -7.655 10.664 1.00 3.25 H new ATOM 0 HB3 ARG B 26 11.088 -8.114 9.353 1.00 3.25 H new ATOM 0 HG2 ARG B 26 12.641 -6.291 9.943 1.00 3.51 H new ATOM 0 HG3 ARG B 26 11.557 -5.750 11.209 1.00 3.51 H new ATOM 0 HD2 ARG B 26 13.376 -7.119 12.145 1.00 4.14 H new ATOM 0 HD3 ARG B 26 11.822 -7.888 12.404 1.00 4.14 H new ATOM 0 HE ARG B 26 12.756 -8.965 9.995 1.00 4.69 H new ATOM 0 HH11 ARG B 26 13.887 -8.745 13.336 1.00 5.83 H new ATOM 0 HH12 ARG B 26 14.783 -10.266 13.253 1.00 5.83 H new ATOM 0 HH21 ARG B 26 13.909 -10.917 9.900 1.00 6.21 H new ATOM 0 HH22 ARG B 26 14.795 -11.489 11.317 1.00 6.21 H new ATOM 1593 N GLU B 27 8.517 -5.386 10.713 1.00 2.79 N ATOM 1594 CA GLU B 27 7.918 -4.313 11.500 1.00 2.80 C ATOM 1595 C GLU B 27 8.875 -3.885 12.609 1.00 3.17 C ATOM 1596 O GLU B 27 9.352 -4.699 13.401 1.00 3.57 O ATOM 1597 CB GLU B 27 6.581 -4.760 12.093 1.00 3.01 C ATOM 1598 CG GLU B 27 5.805 -3.637 12.764 1.00 2.98 C ATOM 1599 CD GLU B 27 4.443 -4.087 13.261 1.00 3.49 C ATOM 1600 OE1 GLU B 27 3.487 -4.087 12.457 1.00 3.87 O ATOM 1601 OE2 GLU B 27 4.333 -4.439 14.454 1.00 3.83 O ATOM 0 H GLU B 27 8.193 -6.323 10.951 1.00 2.79 H new ATOM 0 HA GLU B 27 7.732 -3.462 10.845 1.00 2.80 H new ATOM 0 HB2 GLU B 27 5.968 -5.191 11.301 1.00 3.01 H new ATOM 0 HB3 GLU B 27 6.763 -5.550 12.821 1.00 3.01 H new ATOM 0 HG2 GLU B 27 6.384 -3.250 13.602 1.00 2.98 H new ATOM 0 HG3 GLU B 27 5.678 -2.816 12.059 1.00 2.98 H new ATOM 1608 N GLY B 28 9.139 -2.580 12.633 1.00 3.14 N ATOM 1609 CA GLY B 28 10.070 -2.000 13.587 1.00 3.60 C ATOM 1610 C GLY B 28 11.399 -1.688 12.920 1.00 3.75 C ATOM 1611 O GLY B 28 12.447 -1.653 13.567 1.00 4.23 O ATOM 0 H GLY B 28 8.716 -1.904 11.997 1.00 3.14 H new ATOM 0 HA2 GLY B 28 9.646 -1.088 14.008 1.00 3.60 H new ATOM 0 HA3 GLY B 28 10.227 -2.691 14.415 1.00 3.60 H new ATOM 1615 N GLU B 29 11.329 -1.463 11.607 1.00 3.41 N ATOM 1616 CA GLU B 29 12.500 -1.192 10.774 1.00 3.61 C ATOM 1617 C GLU B 29 12.728 0.294 10.496 1.00 3.65 C ATOM 1618 O GLU B 29 11.967 1.164 10.925 1.00 3.39 O ATOM 1619 CB GLU B 29 12.399 -1.956 9.450 1.00 3.33 C ATOM 1620 CG GLU B 29 12.707 -3.440 9.572 1.00 3.45 C ATOM 1621 CD GLU B 29 14.150 -3.708 9.954 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.016 -3.694 9.053 1.00 4.19 O ATOM 1623 OE2 GLU B 29 14.414 -3.933 11.155 1.00 3.93 O ATOM 0 H GLU B 29 10.451 -1.464 11.088 1.00 3.41 H new ATOM 0 HA GLU B 29 13.361 -1.538 11.346 1.00 3.61 H new ATOM 0 HB2 GLU B 29 11.393 -1.835 9.048 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.086 -1.510 8.731 1.00 3.33 H new ATOM 0 HG2 GLU B 29 12.049 -3.883 10.319 1.00 3.45 H new ATOM 0 HG3 GLU B 29 12.489 -3.931 8.624 1.00 3.45 H new ATOM 1630 N ILE B 30 13.793 0.534 9.767 1.00 4.10 N ATOM 1631 CA ILE B 30 14.202 1.888 9.401 1.00 4.32 C ATOM 1632 C ILE B 30 14.606 1.954 7.931 1.00 4.27 C ATOM 1633 O ILE B 30 15.576 1.316 7.516 1.00 4.58 O ATOM 1634 CB ILE B 30 15.371 2.395 10.272 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.000 2.348 11.760 1.00 5.06 C ATOM 1636 CG2 ILE B 30 15.766 3.810 9.861 1.00 5.23 C ATOM 1637 CD1 ILE B 30 13.945 3.361 12.161 1.00 4.81 C ATOM 0 H ILE B 30 14.406 -0.197 9.407 1.00 4.10 H new ATOM 0 HA ILE B 30 13.340 2.533 9.573 1.00 4.32 H new ATOM 0 HB ILE B 30 16.226 1.738 10.115 1.00 4.94 H new ATOM 0 HG12 ILE B 30 14.641 1.348 12.004 1.00 5.06 H new ATOM 0 HG13 ILE B 30 15.898 2.518 12.354 1.00 5.06 H new ATOM 0 HG21 ILE B 30 16.592 4.153 10.485 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.075 3.812 8.816 1.00 5.23 H new ATOM 0 HG23 ILE B 30 14.914 4.477 9.988 1.00 5.23 H new ATOM 0 HD11 ILE B 30 13.736 3.266 13.227 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.308 4.367 11.950 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.032 3.179 11.595 1.00 4.81 H new ATOM 1649 N ILE B 31 13.856 2.725 7.155 1.00 3.95 N ATOM 1650 CA ILE B 31 14.119 2.878 5.728 1.00 3.95 C ATOM 1651 C ILE B 31 14.677 4.261 5.409 1.00 4.46 C ATOM 1652 O ILE B 31 14.143 5.275 5.859 1.00 4.64 O ATOM 1653 CB ILE B 31 12.837 2.654 4.897 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.329 1.220 5.078 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.091 2.957 3.424 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.104 0.896 4.247 1.00 2.59 C ATOM 0 H ILE B 31 13.054 3.258 7.492 1.00 3.95 H new ATOM 0 HA ILE B 31 14.860 2.123 5.463 1.00 3.95 H new ATOM 0 HB ILE B 31 12.068 3.339 5.255 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.128 0.526 4.817 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.096 1.057 6.130 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.175 2.793 2.856 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.405 3.995 3.315 1.00 3.48 H new ATOM 0 HG23 ILE B 31 13.875 2.300 3.047 1.00 3.48 H new ATOM 0 HD11 ILE B 31 10.804 -0.136 4.429 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.289 1.565 4.524 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.337 1.026 3.190 1.00 2.59 H new ATOM 1668 N HIS B 32 15.754 4.294 4.628 1.00 4.75 N ATOM 1669 CA HIS B 32 16.365 5.552 4.214 1.00 5.28 C ATOM 1670 C HIS B 32 15.756 5.987 2.885 1.00 5.20 C ATOM 1671 O HIS B 32 15.762 5.227 1.917 1.00 5.08 O ATOM 1672 CB HIS B 32 17.881 5.390 4.078 1.00 5.69 C ATOM 1673 CG HIS B 32 18.530 4.800 5.291 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.455 3.461 5.609 1.00 6.55 N ATOM 1675 CD2 HIS B 32 19.271 5.375 6.270 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.118 3.235 6.727 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.623 4.380 7.148 1.00 7.14 N ATOM 0 H HIS B 32 16.222 3.462 4.269 1.00 4.75 H new ATOM 0 HA HIS B 32 16.173 6.314 4.969 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.095 4.757 3.217 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.326 6.364 3.875 1.00 5.69 H new ATOM 0 HD1 HIS B 32 17.963 2.753 5.064 1.00 6.55 H new ATOM 0 HD2 HIS B 32 19.535 6.420 6.345 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.229 2.278 7.214 1.00 7.12 H new ATOM 1686 N LEU B 33 15.233 7.209 2.841 1.00 5.34 N ATOM 1687 CA LEU B 33 14.598 7.724 1.630 1.00 5.40 C ATOM 1688 C LEU B 33 15.638 8.028 0.555 1.00 5.86 C ATOM 1689 O LEU B 33 16.314 9.058 0.596 1.00 6.33 O ATOM 1690 CB LEU B 33 13.783 8.983 1.951 1.00 5.56 C ATOM 1691 CG LEU B 33 12.663 9.316 0.956 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.961 10.607 1.355 1.00 5.60 C ATOM 1693 CD2 LEU B 33 13.209 9.419 -0.462 1.00 5.63 C ATOM 0 H LEU B 33 15.236 7.860 3.626 1.00 5.34 H new ATOM 0 HA LEU B 33 13.926 6.956 1.246 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.343 8.867 2.941 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.464 9.832 2.002 1.00 5.56 H new ATOM 0 HG LEU B 33 11.935 8.505 0.980 1.00 5.46 H new ATOM 0 HD11 LEU B 33 11.170 10.828 0.638 1.00 5.60 H new ATOM 0 HD12 LEU B 33 11.529 10.494 2.349 1.00 5.60 H new ATOM 0 HD13 LEU B 33 12.681 11.425 1.364 1.00 5.60 H new ATOM 0 HD21 LEU B 33 12.396 9.656 -1.149 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.962 10.206 -0.506 1.00 5.63 H new ATOM 0 HD23 LEU B 33 13.660 8.469 -0.748 1.00 5.63 H new ATOM 1705 N ILE B 34 15.764 7.113 -0.398 1.00 5.75 N ATOM 1706 CA ILE B 34 16.705 7.270 -1.501 1.00 6.18 C ATOM 1707 C ILE B 34 16.112 8.140 -2.605 1.00 6.46 C ATOM 1708 O ILE B 34 16.674 9.177 -2.961 1.00 6.97 O ATOM 1709 CB ILE B 34 17.105 5.901 -2.098 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.823 5.045 -1.048 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.984 6.084 -3.331 1.00 6.44 C ATOM 1712 CD1 ILE B 34 19.081 5.683 -0.494 1.00 6.06 C ATOM 0 H ILE B 34 15.223 6.249 -0.429 1.00 5.75 H new ATOM 0 HA ILE B 34 17.593 7.755 -1.096 1.00 6.18 H new ATOM 0 HB ILE B 34 16.195 5.383 -2.402 1.00 5.96 H new ATOM 0 HG12 ILE B 34 17.136 4.844 -0.226 1.00 5.72 H new ATOM 0 HG13 ILE B 34 18.080 4.083 -1.491 1.00 5.72 H new ATOM 0 HG21 ILE B 34 18.253 5.108 -3.734 1.00 6.44 H new ATOM 0 HG22 ILE B 34 17.439 6.650 -4.086 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.889 6.625 -3.055 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.532 5.018 0.242 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.787 5.859 -1.305 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.829 6.632 -0.020 1.00 6.06 H new ATOM 1724 N SER B 35 14.973 7.706 -3.137 1.00 6.18 N ATOM 1725 CA SER B 35 14.297 8.434 -4.208 1.00 6.50 C ATOM 1726 C SER B 35 12.809 8.095 -4.268 1.00 6.25 C ATOM 1727 O SER B 35 12.423 7.012 -4.710 1.00 5.79 O ATOM 1728 CB SER B 35 14.954 8.125 -5.556 1.00 6.64 C ATOM 1729 OG SER B 35 16.296 8.577 -5.586 1.00 7.03 O ATOM 0 H SER B 35 14.498 6.853 -2.844 1.00 6.18 H new ATOM 0 HA SER B 35 14.392 9.498 -3.993 1.00 6.50 H new ATOM 0 HB2 SER B 35 14.925 7.051 -5.740 1.00 6.64 H new ATOM 0 HB3 SER B 35 14.389 8.601 -6.357 1.00 6.64 H new ATOM 0 HG SER B 35 16.529 8.969 -4.718 1.00 7.03 H new ATOM 1735 N LYS B 36 11.981 9.032 -3.816 1.00 6.58 N ATOM 1736 CA LYS B 36 10.530 8.856 -3.828 1.00 6.47 C ATOM 1737 C LYS B 36 9.973 8.804 -5.253 1.00 6.70 C ATOM 1738 O LYS B 36 8.758 8.749 -5.445 1.00 6.67 O ATOM 1739 CB LYS B 36 9.854 9.988 -3.049 1.00 6.78 C ATOM 1740 CG LYS B 36 10.208 11.378 -3.555 1.00 6.60 C ATOM 1741 CD LYS B 36 9.318 12.448 -2.939 1.00 6.92 C ATOM 1742 CE LYS B 36 8.024 12.630 -3.722 1.00 7.04 C ATOM 1743 NZ LYS B 36 7.235 11.370 -3.810 1.00 7.52 N ATOM 0 H LYS B 36 12.291 9.926 -3.435 1.00 6.58 H new ATOM 0 HA LYS B 36 10.313 7.901 -3.349 1.00 6.47 H new ATOM 0 HB2 LYS B 36 8.773 9.857 -3.101 1.00 6.78 H new ATOM 0 HB3 LYS B 36 10.134 9.912 -1.998 1.00 6.78 H new ATOM 0 HG2 LYS B 36 11.251 11.595 -3.323 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.111 11.405 -4.640 1.00 6.60 H new ATOM 0 HD2 LYS B 36 9.084 12.177 -1.909 1.00 6.92 H new ATOM 0 HD3 LYS B 36 9.858 13.394 -2.905 1.00 6.92 H new ATOM 0 HE2 LYS B 36 7.419 13.402 -3.246 1.00 7.04 H new ATOM 0 HE3 LYS B 36 8.256 12.982 -4.727 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 6.276 11.584 -4.152 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 7.700 10.715 -4.470 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 7.177 10.930 -2.869 1.00 7.52 H new ATOM 1757 N GLU B 37 10.863 8.817 -6.254 1.00 7.01 N ATOM 1758 CA GLU B 37 10.447 8.757 -7.653 1.00 7.29 C ATOM 1759 C GLU B 37 11.061 7.542 -8.340 1.00 7.12 C ATOM 1760 O GLU B 37 12.239 7.554 -8.698 1.00 7.28 O ATOM 1761 CB GLU B 37 10.867 10.036 -8.384 1.00 7.94 C ATOM 1762 CG GLU B 37 10.406 10.091 -9.835 1.00 8.15 C ATOM 1763 CD GLU B 37 8.901 9.948 -9.975 1.00 8.62 C ATOM 1764 OE1 GLU B 37 8.191 10.967 -9.839 1.00 8.93 O ATOM 1765 OE2 GLU B 37 8.432 8.815 -10.219 1.00 8.92 O ATOM 0 H GLU B 37 11.872 8.868 -6.117 1.00 7.01 H new ATOM 0 HA GLU B 37 9.361 8.668 -7.687 1.00 7.29 H new ATOM 0 HB2 GLU B 37 10.464 10.897 -7.851 1.00 7.94 H new ATOM 0 HB3 GLU B 37 11.953 10.121 -8.354 1.00 7.94 H new ATOM 0 HG2 GLU B 37 10.720 11.037 -10.277 1.00 8.15 H new ATOM 0 HG3 GLU B 37 10.897 9.298 -10.399 1.00 8.15 H new ATOM 1772 N THR B 38 10.260 6.491 -8.517 1.00 6.83 N ATOM 1773 CA THR B 38 10.735 5.267 -9.151 1.00 6.67 C ATOM 1774 C THR B 38 10.105 5.062 -10.525 1.00 7.05 C ATOM 1775 O THR B 38 10.452 4.123 -11.240 1.00 7.02 O ATOM 1776 CB THR B 38 10.414 4.041 -8.275 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.997 3.832 -8.223 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.951 4.231 -6.865 1.00 5.76 C ATOM 0 H THR B 38 9.282 6.465 -8.230 1.00 6.83 H new ATOM 0 HA THR B 38 11.814 5.370 -9.268 1.00 6.67 H new ATOM 0 HB THR B 38 10.895 3.169 -8.719 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.648 4.165 -7.370 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.713 3.354 -6.264 1.00 5.76 H new ATOM 0 HG22 THR B 38 12.032 4.363 -6.902 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.493 5.113 -6.417 1.00 5.76 H new ATOM 1786 N GLY B 39 9.177 5.944 -10.884 1.00 7.47 N ATOM 1787 CA GLY B 39 8.512 5.847 -12.172 1.00 7.90 C ATOM 1788 C GLY B 39 7.225 5.051 -12.100 1.00 7.94 C ATOM 1789 O GLY B 39 6.530 4.892 -13.103 1.00 8.42 O ATOM 0 H GLY B 39 8.873 6.726 -10.304 1.00 7.47 H new ATOM 0 HA2 GLY B 39 8.296 6.849 -12.542 1.00 7.90 H new ATOM 0 HA3 GLY B 39 9.185 5.380 -12.891 1.00 7.90 H new ATOM 1793 N GLU B 40 6.910 4.547 -10.905 1.00 7.48 N ATOM 1794 CA GLU B 40 5.698 3.763 -10.692 1.00 7.53 C ATOM 1795 C GLU B 40 4.924 4.305 -9.494 1.00 7.35 C ATOM 1796 O GLU B 40 5.442 4.348 -8.377 1.00 6.94 O ATOM 1797 CB GLU B 40 6.052 2.287 -10.474 1.00 7.20 C ATOM 1798 CG GLU B 40 4.888 1.335 -10.721 1.00 7.44 C ATOM 1799 CD GLU B 40 5.329 -0.113 -10.850 1.00 7.63 C ATOM 1800 OE1 GLU B 40 6.016 -0.441 -11.842 1.00 7.96 O ATOM 1801 OE2 GLU B 40 4.991 -0.920 -9.958 1.00 7.73 O ATOM 0 H GLU B 40 7.482 4.670 -10.069 1.00 7.48 H new ATOM 0 HA GLU B 40 5.069 3.842 -11.579 1.00 7.53 H new ATOM 0 HB2 GLU B 40 6.876 2.019 -11.135 1.00 7.20 H new ATOM 0 HB3 GLU B 40 6.407 2.155 -9.452 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.174 1.421 -9.902 1.00 7.44 H new ATOM 0 HG3 GLU B 40 4.367 1.634 -11.631 1.00 7.44 H new ATOM 1808 N ALA B 41 3.684 4.720 -9.737 1.00 7.70 N ATOM 1809 CA ALA B 41 2.833 5.266 -8.683 1.00 7.61 C ATOM 1810 C ALA B 41 2.630 4.253 -7.561 1.00 7.15 C ATOM 1811 O ALA B 41 2.333 3.085 -7.809 1.00 7.30 O ATOM 1812 CB ALA B 41 1.490 5.687 -9.261 1.00 8.20 C ATOM 0 H ALA B 41 3.245 4.689 -10.657 1.00 7.70 H new ATOM 0 HA ALA B 41 3.330 6.140 -8.263 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.863 6.093 -8.467 1.00 8.20 H new ATOM 0 HB2 ALA B 41 1.645 6.448 -10.025 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.998 4.822 -9.705 1.00 8.20 H new ATOM 1818 N GLY B 42 2.799 4.719 -6.325 1.00 6.68 N ATOM 1819 CA GLY B 42 2.647 3.853 -5.168 1.00 6.22 C ATOM 1820 C GLY B 42 3.939 3.148 -4.800 1.00 5.64 C ATOM 1821 O GLY B 42 3.967 2.357 -3.857 1.00 5.21 O ATOM 0 H GLY B 42 3.040 5.685 -6.104 1.00 6.68 H new ATOM 0 HA2 GLY B 42 2.304 4.443 -4.318 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.876 3.110 -5.372 1.00 6.22 H new ATOM 1825 N TRP B 43 5.012 3.432 -5.540 1.00 5.67 N ATOM 1826 CA TRP B 43 6.305 2.802 -5.284 1.00 5.17 C ATOM 1827 C TRP B 43 7.385 3.835 -4.970 1.00 5.12 C ATOM 1828 O TRP B 43 7.642 4.742 -5.761 1.00 5.51 O ATOM 1829 CB TRP B 43 6.752 1.981 -6.495 1.00 5.28 C ATOM 1830 CG TRP B 43 5.951 0.737 -6.724 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.678 0.657 -7.209 1.00 5.83 C ATOM 1832 CD2 TRP B 43 6.377 -0.609 -6.486 1.00 4.91 C ATOM 1833 NE1 TRP B 43 4.285 -0.658 -7.285 1.00 5.80 N ATOM 1834 CE2 TRP B 43 5.312 -1.454 -6.849 1.00 5.25 C ATOM 1835 CE3 TRP B 43 7.556 -1.184 -6.004 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 5.390 -2.839 -6.743 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 7.632 -2.559 -5.898 1.00 4.21 C ATOM 1838 CH2 TRP B 43 6.556 -3.374 -6.267 1.00 4.58 C ATOM 0 H TRP B 43 5.010 4.092 -6.318 1.00 5.67 H new ATOM 0 HA TRP B 43 6.175 2.153 -4.418 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.693 2.607 -7.386 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.799 1.707 -6.367 1.00 5.28 H new ATOM 0 HD1 TRP B 43 4.069 1.503 -7.492 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.377 -0.988 -7.613 1.00 5.80 H new ATOM 0 HE3 TRP B 43 8.393 -0.564 -5.719 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 4.560 -3.469 -7.026 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 8.538 -3.013 -5.524 1.00 4.21 H new ATOM 0 HH2 TRP B 43 6.648 -4.446 -6.174 1.00 4.58 H new ATOM 1849 N TRP B 44 8.011 3.680 -3.800 1.00 4.72 N ATOM 1850 CA TRP B 44 9.091 4.561 -3.362 1.00 4.75 C ATOM 1851 C TRP B 44 10.392 3.769 -3.317 1.00 4.41 C ATOM 1852 O TRP B 44 10.363 2.538 -3.284 1.00 3.96 O ATOM 1853 CB TRP B 44 8.786 5.130 -1.973 1.00 4.63 C ATOM 1854 CG TRP B 44 8.127 6.477 -1.994 1.00 5.05 C ATOM 1855 CD1 TRP B 44 7.598 7.123 -3.077 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.931 7.346 -0.874 1.00 5.06 C ATOM 1857 NE1 TRP B 44 7.088 8.340 -2.695 1.00 5.87 N ATOM 1858 CE2 TRP B 44 7.280 8.500 -1.349 1.00 5.57 C ATOM 1859 CE3 TRP B 44 8.245 7.259 0.486 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 6.936 9.558 -0.512 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.903 8.310 1.316 1.00 4.91 C ATOM 1862 CH2 TRP B 44 7.254 9.445 0.814 1.00 5.40 C ATOM 0 H TRP B 44 7.783 2.942 -3.134 1.00 4.72 H new ATOM 0 HA TRP B 44 9.184 5.390 -4.064 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.142 4.431 -1.439 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.716 5.201 -1.409 1.00 4.63 H new ATOM 0 HD1 TRP B 44 7.583 6.734 -4.084 1.00 5.56 H new ATOM 0 HE1 TRP B 44 6.639 9.015 -3.314 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.745 6.387 0.880 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 6.437 10.436 -0.895 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 8.140 8.255 2.368 1.00 4.91 H new ATOM 0 HH2 TRP B 44 6.999 10.249 1.489 1.00 5.40 H new ATOM 1873 N LYS B 45 11.532 4.459 -3.313 1.00 4.69 N ATOM 1874 CA LYS B 45 12.822 3.778 -3.278 1.00 4.50 C ATOM 1875 C LYS B 45 13.580 4.099 -1.997 1.00 4.49 C ATOM 1876 O LYS B 45 13.720 5.262 -1.615 1.00 4.93 O ATOM 1877 CB LYS B 45 13.674 4.158 -4.491 1.00 4.91 C ATOM 1878 CG LYS B 45 15.003 3.421 -4.545 1.00 4.77 C ATOM 1879 CD LYS B 45 15.799 3.779 -5.791 1.00 5.23 C ATOM 1880 CE LYS B 45 17.140 3.061 -5.817 1.00 5.18 C ATOM 1881 NZ LYS B 45 16.983 1.582 -5.710 1.00 5.33 N ATOM 0 H LYS B 45 11.587 5.477 -3.333 1.00 4.69 H new ATOM 0 HA LYS B 45 12.625 2.706 -3.306 1.00 4.50 H new ATOM 0 HB2 LYS B 45 13.112 3.948 -5.401 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.862 5.232 -4.473 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.589 3.663 -3.658 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.823 2.346 -4.525 1.00 4.77 H new ATOM 0 HD2 LYS B 45 15.226 3.515 -6.680 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.961 4.856 -5.825 1.00 5.23 H new ATOM 0 HE2 LYS B 45 17.664 3.304 -6.741 1.00 5.18 H new ATOM 0 HE3 LYS B 45 17.760 3.420 -4.996 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 17.883 1.119 -5.950 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 16.713 1.331 -4.737 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 16.243 1.263 -6.368 1.00 5.33 H new ATOM 1895 N GLY B 46 14.063 3.051 -1.344 1.00 4.06 N ATOM 1896 CA GLY B 46 14.813 3.217 -0.114 1.00 4.14 C ATOM 1897 C GLY B 46 16.024 2.312 -0.075 1.00 4.03 C ATOM 1898 O GLY B 46 16.226 1.505 -0.982 1.00 3.73 O ATOM 0 H GLY B 46 13.948 2.083 -1.646 1.00 4.06 H new ATOM 0 HA2 GLY B 46 15.131 4.255 -0.018 1.00 4.14 H new ATOM 0 HA3 GLY B 46 14.169 3.001 0.738 1.00 4.14 H new ATOM 1902 N GLU B 47 16.840 2.447 0.969 1.00 4.35 N ATOM 1903 CA GLU B 47 18.029 1.614 1.113 1.00 4.42 C ATOM 1904 C GLU B 47 18.017 0.904 2.459 1.00 4.29 C ATOM 1905 O GLU B 47 17.766 1.513 3.500 1.00 4.48 O ATOM 1906 CB GLU B 47 19.300 2.453 0.941 1.00 5.05 C ATOM 1907 CG GLU B 47 20.571 1.767 1.424 1.00 5.29 C ATOM 1908 CD GLU B 47 20.726 1.814 2.935 1.00 5.65 C ATOM 1909 OE1 GLU B 47 20.695 2.927 3.502 1.00 5.74 O ATOM 1910 OE2 GLU B 47 20.874 0.739 3.552 1.00 6.02 O ATOM 0 H GLU B 47 16.700 3.121 1.722 1.00 4.35 H new ATOM 0 HA GLU B 47 18.022 0.856 0.330 1.00 4.42 H new ATOM 0 HB2 GLU B 47 19.415 2.706 -0.113 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.179 3.391 1.482 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.565 0.728 1.096 1.00 5.29 H new ATOM 0 HG3 GLU B 47 21.435 2.243 0.959 1.00 5.29 H new ATOM 1917 N LEU B 48 18.290 -0.395 2.416 1.00 4.02 N ATOM 1918 CA LEU B 48 18.336 -1.227 3.608 1.00 3.99 C ATOM 1919 C LEU B 48 19.682 -1.944 3.700 1.00 4.21 C ATOM 1920 O LEU B 48 20.462 -1.909 2.760 1.00 4.01 O ATOM 1921 CB LEU B 48 17.174 -2.226 3.630 1.00 3.43 C ATOM 1922 CG LEU B 48 17.091 -3.125 4.870 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.876 -2.295 6.129 1.00 3.78 C ATOM 1924 CD2 LEU B 48 15.980 -4.150 4.710 1.00 2.98 C ATOM 0 H LEU B 48 18.486 -0.900 1.551 1.00 4.02 H new ATOM 0 HA LEU B 48 18.229 -0.583 4.481 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.240 -1.670 3.544 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.249 -2.862 2.748 1.00 3.43 H new ATOM 0 HG LEU B 48 18.039 -3.654 4.971 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.820 -2.955 6.995 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.708 -1.602 6.254 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.946 -1.734 6.040 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.935 -4.780 5.599 1.00 2.98 H new ATOM 0 HD22 LEU B 48 15.027 -3.637 4.580 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.180 -4.770 3.836 1.00 2.98 H new ATOM 1936 N ASN B 49 19.928 -2.557 4.858 1.00 4.70 N ATOM 1937 CA ASN B 49 21.182 -3.263 5.173 1.00 5.05 C ATOM 1938 C ASN B 49 22.043 -3.652 3.954 1.00 5.24 C ATOM 1939 O ASN B 49 22.185 -4.833 3.635 1.00 5.39 O ATOM 1940 CB ASN B 49 20.845 -4.533 5.962 1.00 4.80 C ATOM 1941 CG ASN B 49 20.037 -4.243 7.214 1.00 4.86 C ATOM 1942 OD1 ASN B 49 20.171 -3.183 7.825 1.00 5.32 O ATOM 1943 ND2 ASN B 49 19.189 -5.189 7.602 1.00 4.62 N ATOM 0 H ASN B 49 19.252 -2.580 5.621 1.00 4.70 H new ATOM 0 HA ASN B 49 21.783 -2.558 5.747 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.286 -5.216 5.323 1.00 4.80 H new ATOM 0 HB3 ASN B 49 21.769 -5.040 6.239 1.00 4.80 H new ATOM 0 HD21 ASN B 49 18.618 -5.051 8.436 1.00 4.62 H new ATOM 0 HD22 ASN B 49 19.109 -6.053 7.066 1.00 4.62 H new ATOM 1950 N GLY B 50 22.602 -2.646 3.273 1.00 5.30 N ATOM 1951 CA GLY B 50 23.491 -2.897 2.139 1.00 5.53 C ATOM 1952 C GLY B 50 22.788 -3.103 0.804 1.00 5.10 C ATOM 1953 O GLY B 50 23.448 -3.132 -0.236 1.00 5.29 O ATOM 0 H GLY B 50 22.455 -1.659 3.486 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.180 -2.058 2.044 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.092 -3.780 2.356 1.00 5.53 H new ATOM 1957 N LYS B 51 21.467 -3.246 0.812 1.00 4.57 N ATOM 1958 CA LYS B 51 20.717 -3.431 -0.430 1.00 4.17 C ATOM 1959 C LYS B 51 19.869 -2.201 -0.747 1.00 3.96 C ATOM 1960 O LYS B 51 19.511 -1.433 0.143 1.00 3.78 O ATOM 1961 CB LYS B 51 19.819 -4.669 -0.335 1.00 3.78 C ATOM 1962 CG LYS B 51 20.576 -5.990 -0.331 1.00 4.06 C ATOM 1963 CD LYS B 51 21.323 -6.214 0.975 1.00 4.39 C ATOM 1964 CE LYS B 51 21.913 -7.614 1.050 1.00 4.78 C ATOM 1965 NZ LYS B 51 22.626 -7.850 2.335 1.00 5.33 N ATOM 0 H LYS B 51 20.895 -3.238 1.656 1.00 4.57 H new ATOM 0 HA LYS B 51 21.437 -3.573 -1.236 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.222 -4.602 0.575 1.00 3.78 H new ATOM 0 HB3 LYS B 51 19.123 -4.664 -1.174 1.00 3.78 H new ATOM 0 HG2 LYS B 51 19.876 -6.810 -0.494 1.00 4.06 H new ATOM 0 HG3 LYS B 51 21.283 -6.005 -1.160 1.00 4.06 H new ATOM 0 HD2 LYS B 51 22.120 -5.477 1.070 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.645 -6.059 1.814 1.00 4.39 H new ATOM 0 HE2 LYS B 51 21.117 -8.350 0.937 1.00 4.78 H new ATOM 0 HE3 LYS B 51 22.604 -7.761 0.220 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 23.610 -8.125 2.141 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 22.616 -6.979 2.903 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 22.151 -8.612 2.861 1.00 5.33 H new ATOM 1979 N GLU B 52 19.566 -2.021 -2.029 1.00 4.08 N ATOM 1980 CA GLU B 52 18.732 -0.916 -2.502 1.00 4.05 C ATOM 1981 C GLU B 52 17.604 -1.480 -3.359 1.00 3.71 C ATOM 1982 O GLU B 52 17.818 -2.411 -4.139 1.00 3.93 O ATOM 1983 CB GLU B 52 19.558 0.102 -3.299 1.00 4.59 C ATOM 1984 CG GLU B 52 20.194 -0.462 -4.564 1.00 4.83 C ATOM 1985 CD GLU B 52 21.104 -1.646 -4.291 1.00 5.32 C ATOM 1986 OE1 GLU B 52 22.184 -1.441 -3.699 1.00 5.49 O ATOM 1987 OE2 GLU B 52 20.733 -2.778 -4.667 1.00 5.79 O ATOM 0 H GLU B 52 19.892 -2.638 -2.773 1.00 4.08 H new ATOM 0 HA GLU B 52 18.314 -0.392 -1.642 1.00 4.05 H new ATOM 0 HB2 GLU B 52 18.916 0.940 -3.571 1.00 4.59 H new ATOM 0 HB3 GLU B 52 20.344 0.498 -2.656 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.408 -0.766 -5.255 1.00 4.83 H new ATOM 0 HG3 GLU B 52 20.766 0.323 -5.058 1.00 4.83 H new ATOM 1994 N GLY B 53 16.399 -0.922 -3.217 1.00 3.32 N ATOM 1995 CA GLY B 53 15.279 -1.399 -4.009 1.00 3.12 C ATOM 1996 C GLY B 53 14.029 -0.553 -3.858 1.00 3.18 C ATOM 1997 O GLY B 53 14.044 0.478 -3.184 1.00 3.35 O ATOM 0 H GLY B 53 16.183 -0.159 -2.576 1.00 3.32 H new ATOM 0 HA2 GLY B 53 15.570 -1.420 -5.059 1.00 3.12 H new ATOM 0 HA3 GLY B 53 15.051 -2.425 -3.721 1.00 3.12 H new ATOM 2001 N VAL B 54 12.942 -1.001 -4.491 1.00 3.17 N ATOM 2002 CA VAL B 54 11.671 -0.281 -4.447 1.00 3.38 C ATOM 2003 C VAL B 54 10.616 -1.077 -3.687 1.00 3.02 C ATOM 2004 O VAL B 54 10.648 -2.309 -3.680 1.00 2.70 O ATOM 2005 CB VAL B 54 11.157 0.018 -5.871 1.00 3.83 C ATOM 2006 CG1 VAL B 54 12.112 0.959 -6.596 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.975 -1.275 -6.657 1.00 3.70 C ATOM 0 H VAL B 54 12.919 -1.860 -5.040 1.00 3.17 H new ATOM 0 HA VAL B 54 11.849 0.660 -3.926 1.00 3.38 H new ATOM 0 HB VAL B 54 10.187 0.508 -5.792 1.00 3.83 H new ATOM 0 HG11 VAL B 54 11.734 1.159 -7.599 1.00 4.30 H new ATOM 0 HG12 VAL B 54 12.189 1.895 -6.044 1.00 4.30 H new ATOM 0 HG13 VAL B 54 13.096 0.496 -6.665 1.00 4.30 H new ATOM 0 HG21 VAL B 54 10.612 -1.044 -7.658 1.00 3.70 H new ATOM 0 HG22 VAL B 54 11.930 -1.795 -6.728 1.00 3.70 H new ATOM 0 HG23 VAL B 54 10.252 -1.912 -6.147 1.00 3.70 H new ATOM 2017 N PHE B 55 9.680 -0.371 -3.045 1.00 3.13 N ATOM 2018 CA PHE B 55 8.623 -1.039 -2.289 1.00 2.90 C ATOM 2019 C PHE B 55 7.242 -0.428 -2.561 1.00 3.35 C ATOM 2020 O PHE B 55 7.098 0.789 -2.678 1.00 3.72 O ATOM 2021 CB PHE B 55 8.931 -0.977 -0.791 1.00 2.46 C ATOM 2022 CG PHE B 55 8.883 0.414 -0.218 1.00 2.71 C ATOM 2023 CD1 PHE B 55 10.017 1.211 -0.203 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.704 0.922 0.306 1.00 2.88 C ATOM 2025 CE1 PHE B 55 9.976 2.489 0.321 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.656 2.198 0.832 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.794 2.983 0.840 1.00 3.42 C ATOM 0 H PHE B 55 9.634 0.648 -3.034 1.00 3.13 H new ATOM 0 HA PHE B 55 8.594 -2.078 -2.618 1.00 2.90 H new ATOM 0 HB2 PHE B 55 8.218 -1.605 -0.257 1.00 2.46 H new ATOM 0 HB3 PHE B 55 9.921 -1.398 -0.615 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.943 0.829 -0.606 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.812 0.312 0.303 1.00 2.88 H new ATOM 0 HE1 PHE B 55 10.866 3.101 0.325 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.731 2.582 1.236 1.00 3.20 H new ATOM 0 HZ PHE B 55 8.759 3.981 1.251 1.00 3.42 H new ATOM 2037 N PRO B 56 6.211 -1.292 -2.661 1.00 3.43 N ATOM 2038 CA PRO B 56 4.822 -0.899 -2.886 1.00 3.90 C ATOM 2039 C PRO B 56 4.051 -0.788 -1.578 1.00 3.87 C ATOM 2040 O PRO B 56 4.574 -1.093 -0.507 1.00 3.45 O ATOM 2041 CB PRO B 56 4.282 -2.060 -3.708 1.00 3.97 C ATOM 2042 CG PRO B 56 5.041 -3.258 -3.228 1.00 3.68 C ATOM 2043 CD PRO B 56 6.320 -2.759 -2.591 1.00 3.17 C ATOM 0 HA PRO B 56 4.731 0.075 -3.366 1.00 3.90 H new ATOM 0 HB2 PRO B 56 3.210 -2.185 -3.558 1.00 3.97 H new ATOM 0 HB3 PRO B 56 4.437 -1.895 -4.774 1.00 3.97 H new ATOM 0 HG2 PRO B 56 4.449 -3.824 -2.508 1.00 3.68 H new ATOM 0 HG3 PRO B 56 5.262 -3.930 -4.057 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.412 -3.103 -1.561 1.00 3.17 H new ATOM 0 HD3 PRO B 56 7.198 -3.119 -3.127 1.00 3.17 H new ATOM 2051 N ASP B 57 2.802 -0.323 -1.692 1.00 4.36 N ATOM 2052 CA ASP B 57 1.883 -0.242 -0.556 1.00 4.47 C ATOM 2053 C ASP B 57 2.115 0.931 0.384 1.00 4.41 C ATOM 2054 O ASP B 57 1.253 1.213 1.218 1.00 4.40 O ATOM 2055 CB ASP B 57 1.963 -1.532 0.261 1.00 5.09 C ATOM 2056 CG ASP B 57 1.776 -2.777 -0.588 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.627 -3.054 -0.993 1.00 5.85 O ATOM 2058 OD2 ASP B 57 2.777 -3.476 -0.845 1.00 5.83 O ATOM 0 H ASP B 57 2.403 0.006 -2.571 1.00 4.36 H new ATOM 0 HA ASP B 57 0.899 -0.091 -1.000 1.00 4.47 H new ATOM 0 HB2 ASP B 57 2.930 -1.581 0.761 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.201 -1.511 1.040 1.00 5.09 H new ATOM 2063 N ASN B 58 3.239 1.621 0.278 1.00 4.46 N ATOM 2064 CA ASN B 58 3.534 2.721 1.188 1.00 4.51 C ATOM 2065 C ASN B 58 3.479 2.209 2.625 1.00 3.97 C ATOM 2066 O ASN B 58 2.502 2.427 3.344 1.00 4.05 O ATOM 2067 CB ASN B 58 2.555 3.884 0.986 1.00 4.96 C ATOM 2068 CG ASN B 58 2.638 4.483 -0.407 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.831 4.474 -0.992 1.00 5.40 O flip ATOM 2070 ND2 ASN B 58 1.638 4.956 -0.951 1.00 5.67 N flip ATOM 0 H ASN B 58 3.959 1.443 -0.423 1.00 4.46 H new ATOM 0 HA ASN B 58 4.534 3.099 0.976 1.00 4.51 H new ATOM 0 HB2 ASN B 58 1.539 3.534 1.167 1.00 4.96 H new ATOM 0 HB3 ASN B 58 2.761 4.660 1.724 1.00 4.96 H new ATOM 0 HD21 ASN B 58 0.740 4.943 -0.467 1.00 5.67 H new ATOM 0 HD22 ASN B 58 1.708 5.360 -1.885 1.00 5.67 H new ATOM 2077 N PHE B 59 4.543 1.516 3.025 1.00 3.50 N ATOM 2078 CA PHE B 59 4.629 0.932 4.362 1.00 3.01 C ATOM 2079 C PHE B 59 5.506 1.765 5.284 1.00 2.75 C ATOM 2080 O PHE B 59 5.787 1.354 6.410 1.00 2.44 O ATOM 2081 CB PHE B 59 5.206 -0.485 4.284 1.00 2.72 C ATOM 2082 CG PHE B 59 4.270 -1.510 3.704 1.00 3.03 C ATOM 2083 CD1 PHE B 59 2.994 -1.679 4.219 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.676 -2.317 2.652 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.140 -2.631 3.693 1.00 3.86 C ATOM 2086 CE2 PHE B 59 3.828 -3.272 2.126 1.00 3.79 C ATOM 2087 CZ PHE B 59 2.558 -3.429 2.647 1.00 3.89 C ATOM 0 H PHE B 59 5.361 1.345 2.440 1.00 3.50 H new ATOM 0 HA PHE B 59 3.618 0.907 4.768 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.115 -0.461 3.683 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.495 -0.801 5.286 1.00 2.72 H new ATOM 0 HD1 PHE B 59 2.663 -1.060 5.040 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.667 -2.197 2.239 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.147 -2.750 4.100 1.00 3.86 H new ATOM 0 HE2 PHE B 59 4.157 -3.896 1.308 1.00 3.79 H new ATOM 0 HZ PHE B 59 1.893 -4.175 2.237 1.00 3.89 H new ATOM 2097 N ALA B 60 5.938 2.934 4.817 1.00 3.02 N ATOM 2098 CA ALA B 60 6.810 3.783 5.615 1.00 3.01 C ATOM 2099 C ALA B 60 6.423 5.257 5.538 1.00 3.51 C ATOM 2100 O ALA B 60 6.097 5.768 4.466 1.00 3.89 O ATOM 2101 CB ALA B 60 8.250 3.595 5.166 1.00 2.92 C ATOM 0 H ALA B 60 5.700 3.310 3.899 1.00 3.02 H new ATOM 0 HA ALA B 60 6.700 3.481 6.657 1.00 3.01 H new ATOM 0 HB1 ALA B 60 8.903 4.231 5.763 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.539 2.552 5.298 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.342 3.867 4.114 1.00 2.92 H new ATOM 2107 N VAL B 61 6.466 5.926 6.680 1.00 3.59 N ATOM 2108 CA VAL B 61 6.106 7.339 6.761 1.00 4.08 C ATOM 2109 C VAL B 61 7.304 8.208 7.137 1.00 4.32 C ATOM 2110 O VAL B 61 8.018 7.909 8.095 1.00 4.19 O ATOM 2111 CB VAL B 61 4.967 7.566 7.779 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.358 7.053 9.158 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.579 9.038 7.839 1.00 4.64 C ATOM 0 H VAL B 61 6.748 5.513 7.569 1.00 3.59 H new ATOM 0 HA VAL B 61 5.763 7.633 5.769 1.00 4.08 H new ATOM 0 HB VAL B 61 4.098 7.000 7.443 1.00 4.13 H new ATOM 0 HG11 VAL B 61 4.539 7.225 9.856 1.00 3.91 H new ATOM 0 HG12 VAL B 61 5.569 5.985 9.102 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.246 7.581 9.504 1.00 3.91 H new ATOM 0 HG21 VAL B 61 3.775 9.173 8.563 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.443 9.630 8.141 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.241 9.366 6.856 1.00 4.64 H new ATOM 2123 N GLN B 62 7.529 9.283 6.373 1.00 4.79 N ATOM 2124 CA GLN B 62 8.634 10.197 6.646 1.00 5.14 C ATOM 2125 C GLN B 62 8.477 10.794 8.044 1.00 5.36 C ATOM 2126 O GLN B 62 7.397 11.258 8.410 1.00 5.56 O ATOM 2127 CB GLN B 62 8.674 11.305 5.587 1.00 5.63 C ATOM 2128 CG GLN B 62 10.078 11.705 5.161 1.00 6.02 C ATOM 2129 CD GLN B 62 10.839 12.433 6.251 1.00 6.30 C ATOM 2130 OE1 GLN B 62 11.574 11.821 7.025 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.660 13.747 6.318 1.00 6.72 N ATOM 0 H GLN B 62 6.961 9.537 5.565 1.00 4.79 H new ATOM 0 HA GLN B 62 9.574 9.647 6.604 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.120 10.974 4.709 1.00 5.63 H new ATOM 0 HB3 GLN B 62 8.160 12.184 5.976 1.00 5.63 H new ATOM 0 HG2 GLN B 62 10.633 10.813 4.871 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.017 12.343 4.279 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.040 14.212 5.654 1.00 6.72 H new ATOM 0 HE22 GLN B 62 11.142 14.292 7.033 1.00 6.72 H new ATOM 2140 N ILE B 63 9.559 10.778 8.820 1.00 5.39 N ATOM 2141 CA ILE B 63 9.533 11.307 10.183 1.00 5.68 C ATOM 2142 C ILE B 63 10.803 12.090 10.507 1.00 6.23 C ATOM 2143 O ILE B 63 11.305 12.045 11.631 1.00 6.54 O ATOM 2144 CB ILE B 63 9.359 10.174 11.217 1.00 5.55 C ATOM 2145 CG1 ILE B 63 10.402 9.073 10.993 1.00 5.23 C ATOM 2146 CG2 ILE B 63 7.951 9.601 11.142 1.00 5.71 C ATOM 2147 CD1 ILE B 63 10.374 7.990 12.050 1.00 5.25 C ATOM 0 H ILE B 63 10.463 10.405 8.529 1.00 5.39 H new ATOM 0 HA ILE B 63 8.679 11.982 10.241 1.00 5.68 H new ATOM 0 HB ILE B 63 9.511 10.589 12.213 1.00 5.55 H new ATOM 0 HG12 ILE B 63 10.236 8.620 10.016 1.00 5.23 H new ATOM 0 HG13 ILE B 63 11.395 9.523 10.971 1.00 5.23 H new ATOM 0 HG21 ILE B 63 7.843 8.803 11.877 1.00 5.71 H new ATOM 0 HG22 ILE B 63 7.226 10.388 11.352 1.00 5.71 H new ATOM 0 HG23 ILE B 63 7.774 9.201 10.144 1.00 5.71 H new ATOM 0 HD11 ILE B 63 11.138 7.245 11.828 1.00 5.25 H new ATOM 0 HD12 ILE B 63 10.570 8.431 13.028 1.00 5.25 H new ATOM 0 HD13 ILE B 63 9.394 7.514 12.057 1.00 5.25 H new ATOM 2159 N SER B 64 11.309 12.820 9.519 1.00 6.41 N ATOM 2160 CA SER B 64 12.517 13.619 9.692 1.00 6.97 C ATOM 2161 C SER B 64 12.785 14.473 8.456 1.00 7.20 C ATOM 2162 O SER B 64 12.400 15.661 8.464 1.00 7.43 O ATOM 2163 CB SER B 64 13.718 12.714 9.979 1.00 7.23 C ATOM 2164 OG SER B 64 13.831 11.691 9.004 1.00 7.19 O ATOM 2165 OXT SER B 64 13.369 13.947 7.487 1.00 7.37 O ATOM 0 H SER B 64 10.900 12.875 8.586 1.00 6.41 H new ATOM 0 HA SER B 64 12.366 14.284 10.542 1.00 6.97 H new ATOM 0 HB2 SER B 64 14.631 13.310 9.993 1.00 7.23 H new ATOM 0 HB3 SER B 64 13.613 12.268 10.968 1.00 7.23 H new ATOM 0 HG SER B 64 14.325 10.933 9.381 1.00 7.19 H new