USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ -116:sc= 1.45 (180deg=-1.21!) USER MOD Set 1.2: A 33 THR OG1 : rot -160:sc= 0.418 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.00742 USER MOD Set 2.2: A 39 MET CE :methyl 177:sc= -0.0533 (180deg=0) USER MOD Set 2.3: A 43 GLN : amide:sc= -0.199 K(o=-0.25,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 1.58 (180deg=0.296) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -57:sc= 0.879 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 103:sc= 0.513 USER MOD Single : A 24 THR OG1 : rot 86:sc= 0.712 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -29:sc= 0.568 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc=0.000996 USER MOD Single : A 42 ASN : amide:sc= 0.24 K(o=0.24,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.234 K(o=0.23,f=-6.2!) USER MOD Single : A 55 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.937) USER MOD Single : A 69 GLN : amide:sc= 0.347 X(o=0.35,f=-0.035) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 1.14 (180deg=0.764) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -120:sc= 1.25 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -168:sc= -0.387 (180deg=-0.864) USER MOD Single : A 92 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.11) USER MOD Single : A 104 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.14) USER MOD Single : A 106 MET CE :methyl -152:sc= -0.0487 (180deg=-0.357) USER MOD Single : A 108 HIS : no HD1:sc=-0.00499 X(o=-0.005,f=-0.35) USER MOD Single : A 109 SER OG : rot -3:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.497 5.234 2.189 1.00 3.67 N ATOM 2 CA MET A 1 -17.440 5.492 1.200 1.00 2.78 C ATOM 3 C MET A 1 -16.219 4.728 1.663 1.00 1.97 C ATOM 4 O MET A 1 -16.203 4.301 2.817 1.00 2.06 O ATOM 5 CB MET A 1 -17.100 6.983 1.084 1.00 4.34 C ATOM 6 CG MET A 1 -18.314 7.801 0.623 1.00 5.42 C ATOM 7 SD MET A 1 -19.562 8.078 1.903 1.00 6.62 S ATOM 8 CE MET A 1 -20.992 8.515 0.890 1.00 7.30 C ATOM 0 H1 MET A 1 -19.215 4.606 1.774 1.00 3.67 H new ATOM 0 H2 MET A 1 -18.084 4.780 3.028 1.00 3.67 H new ATOM 0 H3 MET A 1 -18.941 6.133 2.465 1.00 3.67 H new ATOM 0 HA MET A 1 -17.778 5.173 0.214 1.00 2.78 H new ATOM 0 HB2 MET A 1 -16.754 7.355 2.049 1.00 4.34 H new ATOM 0 HB3 MET A 1 -16.280 7.117 0.378 1.00 4.34 H new ATOM 0 HG2 MET A 1 -17.967 8.767 0.256 1.00 5.42 H new ATOM 0 HG3 MET A 1 -18.782 7.290 -0.218 1.00 5.42 H new ATOM 0 HE1 MET A 1 -21.847 8.716 1.535 1.00 7.30 H new ATOM 0 HE2 MET A 1 -20.764 9.404 0.303 1.00 7.30 H new ATOM 0 HE3 MET A 1 -21.229 7.689 0.220 1.00 7.30 H new ATOM 20 N SER A 2 -15.238 4.587 0.780 1.00 1.67 N ATOM 21 CA SER A 2 -13.996 3.901 1.042 1.00 1.76 C ATOM 22 C SER A 2 -12.907 4.648 0.282 1.00 1.46 C ATOM 23 O SER A 2 -13.182 5.580 -0.474 1.00 1.89 O ATOM 24 CB SER A 2 -14.113 2.443 0.573 1.00 2.89 C ATOM 25 OG SER A 2 -15.183 1.801 1.241 1.00 3.45 O ATOM 0 H SER A 2 -15.295 4.962 -0.167 1.00 1.67 H new ATOM 0 HA SER A 2 -13.756 3.883 2.105 1.00 1.76 H new ATOM 0 HB2 SER A 2 -14.276 2.411 -0.504 1.00 2.89 H new ATOM 0 HB3 SER A 2 -13.181 1.914 0.770 1.00 2.89 H new ATOM 0 HG SER A 2 -15.250 0.873 0.934 1.00 3.45 H new ATOM 31 N ILE A 3 -11.667 4.207 0.466 1.00 1.02 N ATOM 32 CA ILE A 3 -10.513 4.783 -0.207 1.00 0.93 C ATOM 33 C ILE A 3 -10.754 4.838 -1.726 1.00 1.18 C ATOM 34 O ILE A 3 -10.475 5.845 -2.379 1.00 1.08 O ATOM 35 CB ILE A 3 -9.220 4.061 0.241 1.00 0.88 C ATOM 36 CG1 ILE A 3 -8.966 2.680 -0.394 1.00 1.27 C ATOM 37 CG2 ILE A 3 -9.203 3.887 1.772 1.00 0.71 C ATOM 38 CD1 ILE A 3 -7.904 2.758 -1.496 1.00 1.78 C ATOM 0 H ILE A 3 -11.435 3.435 1.091 1.00 1.02 H new ATOM 0 HA ILE A 3 -10.370 5.822 0.088 1.00 0.93 H new ATOM 0 HB ILE A 3 -8.423 4.716 -0.112 1.00 0.88 H new ATOM 0 HG12 ILE A 3 -8.644 1.978 0.375 1.00 1.27 H new ATOM 0 HG13 ILE A 3 -9.896 2.292 -0.810 1.00 1.27 H new ATOM 0 HG21 ILE A 3 -8.287 3.377 2.070 1.00 0.71 H new ATOM 0 HG22 ILE A 3 -9.246 4.866 2.250 1.00 0.71 H new ATOM 0 HG23 ILE A 3 -10.064 3.295 2.080 1.00 0.71 H new ATOM 0 HD11 ILE A 3 -7.749 1.767 -1.923 1.00 1.78 H new ATOM 0 HD12 ILE A 3 -8.239 3.441 -2.277 1.00 1.78 H new ATOM 0 HD13 ILE A 3 -6.967 3.122 -1.074 1.00 1.78 H new ATOM 50 N THR A 4 -11.383 3.799 -2.285 1.00 1.49 N ATOM 51 CA THR A 4 -11.705 3.657 -3.679 1.00 1.80 C ATOM 52 C THR A 4 -13.006 4.424 -3.971 1.00 1.66 C ATOM 53 O THR A 4 -13.944 3.867 -4.537 1.00 2.02 O ATOM 54 CB THR A 4 -11.768 2.140 -3.959 1.00 2.62 C ATOM 55 OG1 THR A 4 -12.258 1.957 -5.245 1.00 2.71 O ATOM 56 CG2 THR A 4 -12.692 1.341 -3.024 1.00 3.09 C ATOM 0 H THR A 4 -11.691 2.999 -1.733 1.00 1.49 H new ATOM 0 HA THR A 4 -10.962 4.089 -4.350 1.00 1.80 H new ATOM 0 HB THR A 4 -10.753 1.772 -3.807 1.00 2.62 H new ATOM 0 HG1 THR A 4 -13.130 2.397 -5.329 1.00 2.71 H new ATOM 0 HG21 THR A 4 -12.667 0.287 -3.302 1.00 3.09 H new ATOM 0 HG22 THR A 4 -12.353 1.453 -1.994 1.00 3.09 H new ATOM 0 HG23 THR A 4 -13.712 1.716 -3.113 1.00 3.09 H new ATOM 64 N ASP A 5 -13.055 5.699 -3.583 1.00 1.89 N ATOM 65 CA ASP A 5 -14.198 6.590 -3.772 1.00 1.83 C ATOM 66 C ASP A 5 -13.799 7.990 -3.311 1.00 1.79 C ATOM 67 O ASP A 5 -13.927 8.956 -4.057 1.00 3.11 O ATOM 68 CB ASP A 5 -15.420 6.084 -2.991 1.00 1.91 C ATOM 69 CG ASP A 5 -16.558 7.091 -3.015 1.00 1.93 C ATOM 70 OD1 ASP A 5 -17.286 7.108 -4.028 1.00 2.73 O ATOM 71 OD2 ASP A 5 -16.698 7.800 -1.996 1.00 2.33 O ATOM 0 H ASP A 5 -12.273 6.154 -3.113 1.00 1.89 H new ATOM 0 HA ASP A 5 -14.476 6.615 -4.826 1.00 1.83 H new ATOM 0 HB2 ASP A 5 -15.760 5.140 -3.418 1.00 1.91 H new ATOM 0 HB3 ASP A 5 -15.134 5.882 -1.959 1.00 1.91 H new ATOM 76 N VAL A 6 -13.253 8.071 -2.094 1.00 0.81 N ATOM 77 CA VAL A 6 -12.850 9.324 -1.457 1.00 0.74 C ATOM 78 C VAL A 6 -11.959 10.166 -2.377 1.00 0.61 C ATOM 79 O VAL A 6 -12.141 11.376 -2.491 1.00 0.68 O ATOM 80 CB VAL A 6 -12.150 8.999 -0.121 1.00 0.83 C ATOM 81 CG1 VAL A 6 -11.340 10.176 0.440 1.00 1.28 C ATOM 82 CG2 VAL A 6 -13.197 8.587 0.922 1.00 1.86 C ATOM 0 H VAL A 6 -13.076 7.250 -1.515 1.00 0.81 H new ATOM 0 HA VAL A 6 -13.735 9.928 -1.259 1.00 0.74 H new ATOM 0 HB VAL A 6 -11.453 8.187 -0.327 1.00 0.83 H new ATOM 0 HG11 VAL A 6 -10.873 9.881 1.380 1.00 1.28 H new ATOM 0 HG12 VAL A 6 -10.568 10.460 -0.275 1.00 1.28 H new ATOM 0 HG13 VAL A 6 -12.003 11.024 0.614 1.00 1.28 H new ATOM 0 HG21 VAL A 6 -12.701 8.358 1.865 1.00 1.86 H new ATOM 0 HG22 VAL A 6 -13.902 9.405 1.072 1.00 1.86 H new ATOM 0 HG23 VAL A 6 -13.733 7.705 0.571 1.00 1.86 H new ATOM 92 N LEU A 7 -10.964 9.524 -2.987 1.00 0.56 N ATOM 93 CA LEU A 7 -9.982 10.166 -3.850 1.00 0.63 C ATOM 94 C LEU A 7 -9.294 9.063 -4.632 1.00 0.53 C ATOM 95 O LEU A 7 -9.363 9.028 -5.861 1.00 0.63 O ATOM 96 CB LEU A 7 -8.982 10.964 -2.994 1.00 0.87 C ATOM 97 CG LEU A 7 -7.659 11.323 -3.701 1.00 1.10 C ATOM 98 CD1 LEU A 7 -7.872 12.112 -4.999 1.00 1.03 C ATOM 99 CD2 LEU A 7 -6.784 12.148 -2.752 1.00 1.62 C ATOM 0 H LEU A 7 -10.818 8.519 -2.891 1.00 0.56 H new ATOM 0 HA LEU A 7 -10.448 10.872 -4.538 1.00 0.63 H new ATOM 0 HB2 LEU A 7 -9.463 11.886 -2.666 1.00 0.87 H new ATOM 0 HB3 LEU A 7 -8.753 10.387 -2.098 1.00 0.87 H new ATOM 0 HG LEU A 7 -7.172 10.384 -3.966 1.00 1.10 H new ATOM 0 HD11 LEU A 7 -6.906 12.336 -5.451 1.00 1.03 H new ATOM 0 HD12 LEU A 7 -8.468 11.518 -5.692 1.00 1.03 H new ATOM 0 HD13 LEU A 7 -8.393 13.043 -4.777 1.00 1.03 H new ATOM 0 HD21 LEU A 7 -5.848 12.403 -3.249 1.00 1.62 H new ATOM 0 HD22 LEU A 7 -7.309 13.062 -2.476 1.00 1.62 H new ATOM 0 HD23 LEU A 7 -6.571 11.566 -1.855 1.00 1.62 H new ATOM 111 N SER A 8 -8.686 8.134 -3.885 1.00 0.51 N ATOM 112 CA SER A 8 -7.826 7.103 -4.419 1.00 0.54 C ATOM 113 C SER A 8 -8.446 6.364 -5.597 1.00 0.60 C ATOM 114 O SER A 8 -7.695 5.860 -6.408 1.00 0.74 O ATOM 115 CB SER A 8 -7.398 6.142 -3.312 1.00 0.74 C ATOM 116 OG SER A 8 -7.102 6.874 -2.139 1.00 0.99 O ATOM 0 H SER A 8 -8.789 8.088 -2.871 1.00 0.51 H new ATOM 0 HA SER A 8 -6.938 7.596 -4.814 1.00 0.54 H new ATOM 0 HB2 SER A 8 -8.192 5.423 -3.113 1.00 0.74 H new ATOM 0 HB3 SER A 8 -6.524 5.573 -3.628 1.00 0.74 H new ATOM 0 HG SER A 8 -6.829 6.257 -1.428 1.00 0.99 H new ATOM 122 N ALA A 9 -9.778 6.296 -5.714 1.00 0.60 N ATOM 123 CA ALA A 9 -10.476 5.825 -6.910 1.00 0.82 C ATOM 124 C ALA A 9 -9.810 6.227 -8.232 1.00 0.85 C ATOM 125 O ALA A 9 -9.647 5.390 -9.119 1.00 0.95 O ATOM 126 CB ALA A 9 -11.912 6.350 -6.908 1.00 1.06 C ATOM 0 H ALA A 9 -10.410 6.573 -4.963 1.00 0.60 H new ATOM 0 HA ALA A 9 -10.443 4.737 -6.860 1.00 0.82 H new ATOM 0 HB1 ALA A 9 -12.430 5.998 -7.800 1.00 1.06 H new ATOM 0 HB2 ALA A 9 -12.431 5.987 -6.021 1.00 1.06 H new ATOM 0 HB3 ALA A 9 -11.901 7.440 -6.902 1.00 1.06 H new ATOM 132 N ASP A 10 -9.449 7.500 -8.396 1.00 0.83 N ATOM 133 CA ASP A 10 -8.816 7.921 -9.642 1.00 0.84 C ATOM 134 C ASP A 10 -7.404 7.330 -9.720 1.00 0.69 C ATOM 135 O ASP A 10 -6.980 6.748 -10.721 1.00 0.64 O ATOM 136 CB ASP A 10 -8.807 9.449 -9.721 1.00 0.93 C ATOM 137 CG ASP A 10 -8.423 9.906 -11.120 1.00 0.96 C ATOM 138 OD1 ASP A 10 -7.206 10.009 -11.377 1.00 2.09 O ATOM 139 OD2 ASP A 10 -9.363 10.138 -11.912 1.00 1.61 O ATOM 0 H ASP A 10 -9.579 8.237 -7.703 1.00 0.83 H new ATOM 0 HA ASP A 10 -9.379 7.551 -10.499 1.00 0.84 H new ATOM 0 HB2 ASP A 10 -9.791 9.839 -9.462 1.00 0.93 H new ATOM 0 HB3 ASP A 10 -8.103 9.853 -8.994 1.00 0.93 H new ATOM 144 N ASP A 11 -6.697 7.417 -8.597 1.00 0.65 N ATOM 145 CA ASP A 11 -5.302 7.054 -8.474 1.00 0.60 C ATOM 146 C ASP A 11 -5.115 5.556 -8.729 1.00 0.54 C ATOM 147 O ASP A 11 -4.187 5.148 -9.422 1.00 0.50 O ATOM 148 CB ASP A 11 -4.804 7.470 -7.088 1.00 0.65 C ATOM 149 CG ASP A 11 -5.025 8.946 -6.788 1.00 1.35 C ATOM 150 OD1 ASP A 11 -6.155 9.263 -6.357 1.00 1.91 O ATOM 151 OD2 ASP A 11 -4.063 9.723 -6.964 1.00 2.60 O ATOM 0 H ASP A 11 -7.099 7.754 -7.722 1.00 0.65 H new ATOM 0 HA ASP A 11 -4.709 7.577 -9.224 1.00 0.60 H new ATOM 0 HB2 ASP A 11 -5.313 6.872 -6.332 1.00 0.65 H new ATOM 0 HB3 ASP A 11 -3.740 7.245 -7.009 1.00 0.65 H new ATOM 156 N ILE A 12 -6.012 4.715 -8.205 1.00 0.61 N ATOM 157 CA ILE A 12 -6.015 3.293 -8.449 1.00 0.69 C ATOM 158 C ILE A 12 -6.189 3.012 -9.938 1.00 0.76 C ATOM 159 O ILE A 12 -5.533 2.118 -10.463 1.00 0.76 O ATOM 160 CB ILE A 12 -7.042 2.550 -7.581 1.00 0.90 C ATOM 161 CG1 ILE A 12 -8.491 2.975 -7.835 1.00 1.08 C ATOM 162 CG2 ILE A 12 -6.648 2.611 -6.097 1.00 0.87 C ATOM 163 CD1 ILE A 12 -9.571 2.092 -7.214 1.00 1.44 C ATOM 0 H ILE A 12 -6.765 5.022 -7.590 1.00 0.61 H new ATOM 0 HA ILE A 12 -5.045 2.898 -8.148 1.00 0.69 H new ATOM 0 HB ILE A 12 -7.014 1.504 -7.888 1.00 0.90 H new ATOM 0 HG12 ILE A 12 -8.621 3.990 -7.460 1.00 1.08 H new ATOM 0 HG13 ILE A 12 -8.654 3.010 -8.912 1.00 1.08 H new ATOM 0 HG21 ILE A 12 -7.390 2.078 -5.501 1.00 0.87 H new ATOM 0 HG22 ILE A 12 -5.671 2.147 -5.960 1.00 0.87 H new ATOM 0 HG23 ILE A 12 -6.603 3.651 -5.775 1.00 0.87 H new ATOM 0 HD11 ILE A 12 -10.554 2.492 -7.461 1.00 1.44 H new ATOM 0 HD12 ILE A 12 -9.482 1.079 -7.606 1.00 1.44 H new ATOM 0 HD13 ILE A 12 -9.448 2.075 -6.131 1.00 1.44 H new ATOM 175 N ALA A 13 -7.045 3.771 -10.632 1.00 0.86 N ATOM 176 CA ALA A 13 -7.253 3.587 -12.060 1.00 0.93 C ATOM 177 C ALA A 13 -5.953 3.874 -12.814 1.00 0.89 C ATOM 178 O ALA A 13 -5.586 3.131 -13.725 1.00 0.99 O ATOM 179 CB ALA A 13 -8.415 4.454 -12.554 1.00 1.00 C ATOM 0 H ALA A 13 -7.603 4.519 -10.220 1.00 0.86 H new ATOM 0 HA ALA A 13 -7.529 2.551 -12.256 1.00 0.93 H new ATOM 0 HB1 ALA A 13 -8.554 4.301 -13.624 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -9.327 4.175 -12.027 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -8.192 5.504 -12.363 1.00 1.00 H new ATOM 185 N ALA A 14 -5.226 4.920 -12.411 1.00 0.77 N ATOM 186 CA ALA A 14 -3.893 5.167 -12.945 1.00 0.73 C ATOM 187 C ALA A 14 -2.964 3.984 -12.635 1.00 0.65 C ATOM 188 O ALA A 14 -2.444 3.346 -13.550 1.00 0.67 O ATOM 189 CB ALA A 14 -3.338 6.492 -12.410 1.00 0.68 C ATOM 0 H ALA A 14 -5.540 5.603 -11.721 1.00 0.77 H new ATOM 0 HA ALA A 14 -3.955 5.256 -14.030 1.00 0.73 H new ATOM 0 HB1 ALA A 14 -2.342 6.661 -12.819 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -3.996 7.309 -12.708 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -3.281 6.450 -11.322 1.00 0.68 H new ATOM 195 N ALA A 15 -2.774 3.679 -11.346 1.00 0.60 N ATOM 196 CA ALA A 15 -1.881 2.646 -10.836 1.00 0.56 C ATOM 197 C ALA A 15 -2.081 1.320 -11.566 1.00 0.64 C ATOM 198 O ALA A 15 -1.131 0.677 -12.020 1.00 0.66 O ATOM 199 CB ALA A 15 -2.106 2.483 -9.329 1.00 0.55 C ATOM 0 H ALA A 15 -3.264 4.172 -10.600 1.00 0.60 H new ATOM 0 HA ALA A 15 -0.851 2.954 -11.016 1.00 0.56 H new ATOM 0 HB1 ALA A 15 -1.440 1.711 -8.943 1.00 0.55 H new ATOM 0 HB2 ALA A 15 -1.897 3.427 -8.826 1.00 0.55 H new ATOM 0 HB3 ALA A 15 -3.141 2.195 -9.145 1.00 0.55 H new ATOM 205 N LEU A 16 -3.354 0.949 -11.690 1.00 0.72 N ATOM 206 CA LEU A 16 -3.838 -0.239 -12.367 1.00 0.83 C ATOM 207 C LEU A 16 -3.196 -0.360 -13.740 1.00 0.79 C ATOM 208 O LEU A 16 -2.824 -1.461 -14.140 1.00 0.83 O ATOM 209 CB LEU A 16 -5.373 -0.175 -12.476 1.00 1.01 C ATOM 210 CG LEU A 16 -6.017 -1.136 -13.492 1.00 1.77 C ATOM 211 CD1 LEU A 16 -5.830 -2.605 -13.099 1.00 1.74 C ATOM 212 CD2 LEU A 16 -7.513 -0.820 -13.601 1.00 3.07 C ATOM 0 H LEU A 16 -4.113 1.505 -11.296 1.00 0.72 H new ATOM 0 HA LEU A 16 -3.565 -1.124 -11.792 1.00 0.83 H new ATOM 0 HB2 LEU A 16 -5.796 -0.380 -11.493 1.00 1.01 H new ATOM 0 HB3 LEU A 16 -5.657 0.844 -12.739 1.00 1.01 H new ATOM 0 HG LEU A 16 -5.522 -0.990 -14.452 1.00 1.77 H new ATOM 0 HD11 LEU A 16 -6.301 -3.244 -13.846 1.00 1.74 H new ATOM 0 HD12 LEU A 16 -4.766 -2.834 -13.044 1.00 1.74 H new ATOM 0 HD13 LEU A 16 -6.290 -2.783 -12.127 1.00 1.74 H new ATOM 0 HD21 LEU A 16 -7.976 -1.497 -14.319 1.00 3.07 H new ATOM 0 HD22 LEU A 16 -7.984 -0.947 -12.626 1.00 3.07 H new ATOM 0 HD23 LEU A 16 -7.644 0.209 -13.935 1.00 3.07 H new ATOM 224 N GLN A 17 -3.113 0.748 -14.483 1.00 0.77 N ATOM 225 CA GLN A 17 -2.653 0.702 -15.859 1.00 0.77 C ATOM 226 C GLN A 17 -1.143 0.900 -15.912 1.00 0.76 C ATOM 227 O GLN A 17 -0.455 0.203 -16.654 1.00 0.76 O ATOM 228 CB GLN A 17 -3.434 1.698 -16.732 1.00 0.79 C ATOM 229 CG GLN A 17 -4.115 0.930 -17.874 1.00 1.29 C ATOM 230 CD GLN A 17 -4.927 1.829 -18.797 1.00 1.82 C ATOM 231 OE1 GLN A 17 -6.147 1.728 -18.852 1.00 2.68 O ATOM 232 NE2 GLN A 17 -4.257 2.688 -19.559 1.00 2.92 N ATOM 0 H GLN A 17 -3.359 1.680 -14.149 1.00 0.77 H new ATOM 0 HA GLN A 17 -2.855 -0.283 -16.279 1.00 0.77 H new ATOM 0 HB2 GLN A 17 -4.179 2.221 -16.133 1.00 0.79 H new ATOM 0 HB3 GLN A 17 -2.761 2.455 -17.135 1.00 0.79 H new ATOM 0 HG2 GLN A 17 -3.355 0.411 -18.458 1.00 1.29 H new ATOM 0 HG3 GLN A 17 -4.769 0.167 -17.452 1.00 1.29 H new ATOM 0 HE21 GLN A 17 -3.241 2.747 -19.489 1.00 2.92 H new ATOM 0 HE22 GLN A 17 -4.759 3.288 -20.214 1.00 2.92 H new ATOM 241 N GLU A 18 -0.630 1.849 -15.130 1.00 0.77 N ATOM 242 CA GLU A 18 0.770 2.229 -15.185 1.00 0.82 C ATOM 243 C GLU A 18 1.680 1.082 -14.721 1.00 0.86 C ATOM 244 O GLU A 18 2.754 0.892 -15.284 1.00 0.96 O ATOM 245 CB GLU A 18 0.956 3.571 -14.460 1.00 0.87 C ATOM 246 CG GLU A 18 0.973 3.489 -12.929 1.00 1.02 C ATOM 247 CD GLU A 18 2.367 3.511 -12.327 1.00 1.41 C ATOM 248 OE1 GLU A 18 3.232 4.238 -12.860 1.00 2.21 O ATOM 249 OE2 GLU A 18 2.560 2.857 -11.285 1.00 2.31 O ATOM 0 H GLU A 18 -1.176 2.371 -14.445 1.00 0.77 H new ATOM 0 HA GLU A 18 1.088 2.400 -16.213 1.00 0.82 H new ATOM 0 HB2 GLU A 18 1.891 4.020 -14.794 1.00 0.87 H new ATOM 0 HB3 GLU A 18 0.154 4.244 -14.763 1.00 0.87 H new ATOM 0 HG2 GLU A 18 0.400 4.323 -12.524 1.00 1.02 H new ATOM 0 HG3 GLU A 18 0.468 2.574 -12.618 1.00 1.02 H new ATOM 256 N CYS A 19 1.226 0.282 -13.746 1.00 0.82 N ATOM 257 CA CYS A 19 1.892 -0.944 -13.319 1.00 0.88 C ATOM 258 C CYS A 19 0.906 -2.103 -13.453 1.00 0.75 C ATOM 259 O CYS A 19 0.566 -2.758 -12.464 1.00 0.91 O ATOM 260 CB CYS A 19 2.400 -0.817 -11.882 1.00 1.12 C ATOM 261 SG CYS A 19 3.866 0.238 -11.831 1.00 1.81 S ATOM 0 H CYS A 19 0.370 0.477 -13.227 1.00 0.82 H new ATOM 0 HA CYS A 19 2.761 -1.130 -13.950 1.00 0.88 H new ATOM 0 HB2 CYS A 19 1.619 -0.398 -11.248 1.00 1.12 H new ATOM 0 HB3 CYS A 19 2.638 -1.803 -11.484 1.00 1.12 H new ATOM 0 HG CYS A 19 3.537 1.417 -11.393 1.00 1.81 H new ATOM 267 N ARG A 20 0.460 -2.397 -14.677 1.00 0.64 N ATOM 268 CA ARG A 20 -0.432 -3.529 -14.925 1.00 0.70 C ATOM 269 C ARG A 20 0.344 -4.848 -15.047 1.00 0.73 C ATOM 270 O ARG A 20 -0.243 -5.921 -14.908 1.00 0.96 O ATOM 271 CB ARG A 20 -1.304 -3.247 -16.160 1.00 0.87 C ATOM 272 CG ARG A 20 -2.635 -4.016 -16.090 1.00 1.64 C ATOM 273 CD ARG A 20 -3.688 -3.412 -17.026 1.00 2.25 C ATOM 274 NE ARG A 20 -4.965 -4.135 -16.912 1.00 3.67 N ATOM 275 CZ ARG A 20 -6.092 -3.825 -17.572 1.00 4.56 C ATOM 276 NH1 ARG A 20 -6.104 -2.788 -18.418 1.00 4.60 N ATOM 277 NH2 ARG A 20 -7.200 -4.553 -17.386 1.00 5.91 N ATOM 0 H ARG A 20 0.704 -1.865 -15.512 1.00 0.64 H new ATOM 0 HA ARG A 20 -1.093 -3.647 -14.066 1.00 0.70 H new ATOM 0 HB2 ARG A 20 -1.502 -2.178 -16.232 1.00 0.87 H new ATOM 0 HB3 ARG A 20 -0.764 -3.532 -17.063 1.00 0.87 H new ATOM 0 HG2 ARG A 20 -2.467 -5.060 -16.356 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -3.009 -4.005 -15.066 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -3.837 -2.360 -16.782 1.00 2.25 H new ATOM 0 HD3 ARG A 20 -3.332 -3.453 -18.056 1.00 2.25 H new ATOM 0 HE ARG A 20 -4.996 -4.936 -16.281 1.00 3.67 H new ATOM 0 HH11 ARG A 20 -5.258 -2.236 -18.560 1.00 4.60 H new ATOM 0 HH12 ARG A 20 -6.959 -2.550 -18.921 1.00 4.60 H new ATOM 0 HH21 ARG A 20 -7.188 -5.344 -16.742 1.00 5.91 H new ATOM 0 HH22 ARG A 20 -8.056 -4.317 -17.888 1.00 5.91 H new ATOM 291 N ASP A 21 1.652 -4.765 -15.302 1.00 0.76 N ATOM 292 CA ASP A 21 2.492 -5.876 -15.726 1.00 0.84 C ATOM 293 C ASP A 21 3.238 -6.494 -14.540 1.00 0.73 C ATOM 294 O ASP A 21 3.596 -5.774 -13.602 1.00 0.60 O ATOM 295 CB ASP A 21 3.468 -5.345 -16.783 1.00 0.91 C ATOM 296 CG ASP A 21 2.737 -5.029 -18.079 1.00 1.23 C ATOM 297 OD1 ASP A 21 2.091 -3.958 -18.115 1.00 2.23 O ATOM 298 OD2 ASP A 21 2.808 -5.881 -18.990 1.00 2.13 O ATOM 0 H ASP A 21 2.169 -3.890 -15.214 1.00 0.76 H new ATOM 0 HA ASP A 21 1.877 -6.670 -16.150 1.00 0.84 H new ATOM 0 HB2 ASP A 21 3.963 -4.448 -16.411 1.00 0.91 H new ATOM 0 HB3 ASP A 21 4.247 -6.084 -16.970 1.00 0.91 H new ATOM 303 N PRO A 22 3.493 -7.814 -14.559 1.00 0.84 N ATOM 304 CA PRO A 22 4.072 -8.525 -13.433 1.00 0.86 C ATOM 305 C PRO A 22 5.447 -7.964 -13.072 1.00 0.84 C ATOM 306 O PRO A 22 6.316 -7.837 -13.932 1.00 1.25 O ATOM 307 CB PRO A 22 4.157 -9.995 -13.861 1.00 1.00 C ATOM 308 CG PRO A 22 4.214 -9.915 -15.386 1.00 1.08 C ATOM 309 CD PRO A 22 3.321 -8.712 -15.691 1.00 1.01 C ATOM 0 HA PRO A 22 3.462 -8.413 -12.536 1.00 0.86 H new ATOM 0 HB2 PRO A 22 5.041 -10.483 -13.451 1.00 1.00 H new ATOM 0 HB3 PRO A 22 3.292 -10.564 -13.520 1.00 1.00 H new ATOM 0 HG2 PRO A 22 5.232 -9.766 -15.746 1.00 1.08 H new ATOM 0 HG3 PRO A 22 3.841 -10.826 -15.854 1.00 1.08 H new ATOM 0 HD2 PRO A 22 3.614 -8.230 -16.624 1.00 1.01 H new ATOM 0 HD3 PRO A 22 2.279 -9.013 -15.801 1.00 1.01 H new ATOM 317 N ASP A 23 5.614 -7.633 -11.792 1.00 0.64 N ATOM 318 CA ASP A 23 6.865 -7.285 -11.135 1.00 0.62 C ATOM 319 C ASP A 23 7.319 -5.864 -11.484 1.00 0.56 C ATOM 320 O ASP A 23 8.475 -5.506 -11.265 1.00 0.77 O ATOM 321 CB ASP A 23 7.943 -8.364 -11.343 1.00 0.78 C ATOM 322 CG ASP A 23 7.461 -9.753 -10.934 1.00 1.71 C ATOM 323 OD1 ASP A 23 6.750 -9.837 -9.909 1.00 2.92 O ATOM 324 OD2 ASP A 23 7.808 -10.715 -11.653 1.00 2.44 O ATOM 0 H ASP A 23 4.824 -7.600 -11.147 1.00 0.64 H new ATOM 0 HA ASP A 23 6.684 -7.268 -10.060 1.00 0.62 H new ATOM 0 HB2 ASP A 23 8.240 -8.380 -12.392 1.00 0.78 H new ATOM 0 HB3 ASP A 23 8.829 -8.105 -10.764 1.00 0.78 H new ATOM 329 N THR A 24 6.399 -5.029 -11.982 1.00 0.49 N ATOM 330 CA THR A 24 6.692 -3.653 -12.388 1.00 0.46 C ATOM 331 C THR A 24 6.502 -2.661 -11.234 1.00 0.44 C ATOM 332 O THR A 24 6.925 -1.509 -11.323 1.00 0.69 O ATOM 333 CB THR A 24 5.789 -3.278 -13.579 1.00 0.50 C ATOM 334 OG1 THR A 24 5.783 -4.332 -14.513 1.00 0.70 O ATOM 335 CG2 THR A 24 6.246 -2.010 -14.305 1.00 0.60 C ATOM 0 H THR A 24 5.423 -5.294 -12.115 1.00 0.49 H new ATOM 0 HA THR A 24 7.740 -3.596 -12.684 1.00 0.46 H new ATOM 0 HB THR A 24 4.796 -3.094 -13.168 1.00 0.50 H new ATOM 0 HG1 THR A 24 5.095 -4.984 -14.266 1.00 0.70 H new ATOM 0 HG21 THR A 24 5.569 -1.801 -15.133 1.00 0.60 H new ATOM 0 HG22 THR A 24 6.240 -1.170 -13.610 1.00 0.60 H new ATOM 0 HG23 THR A 24 7.255 -2.155 -14.690 1.00 0.60 H new ATOM 343 N PHE A 25 5.792 -3.069 -10.179 1.00 0.43 N ATOM 344 CA PHE A 25 5.148 -2.134 -9.267 1.00 0.63 C ATOM 345 C PHE A 25 6.114 -1.672 -8.168 1.00 0.67 C ATOM 346 O PHE A 25 6.314 -2.371 -7.174 1.00 1.21 O ATOM 347 CB PHE A 25 3.870 -2.797 -8.732 1.00 1.13 C ATOM 348 CG PHE A 25 2.707 -1.936 -8.265 1.00 1.58 C ATOM 349 CD1 PHE A 25 2.589 -0.580 -8.631 1.00 2.97 C ATOM 350 CD2 PHE A 25 1.572 -2.612 -7.776 1.00 2.06 C ATOM 351 CE1 PHE A 25 1.328 0.038 -8.654 1.00 3.75 C ATOM 352 CE2 PHE A 25 0.316 -1.984 -7.766 1.00 2.71 C ATOM 353 CZ PHE A 25 0.187 -0.674 -8.248 1.00 3.31 C ATOM 0 H PHE A 25 5.651 -4.050 -9.938 1.00 0.43 H new ATOM 0 HA PHE A 25 4.864 -1.219 -9.786 1.00 0.63 H new ATOM 0 HB2 PHE A 25 3.493 -3.454 -9.516 1.00 1.13 H new ATOM 0 HB3 PHE A 25 4.160 -3.432 -7.895 1.00 1.13 H new ATOM 0 HD1 PHE A 25 3.471 -0.015 -8.894 1.00 2.97 H new ATOM 0 HD2 PHE A 25 1.669 -3.622 -7.406 1.00 2.06 H new ATOM 0 HE1 PHE A 25 1.235 1.062 -8.984 1.00 3.75 H new ATOM 0 HE2 PHE A 25 -0.549 -2.509 -7.388 1.00 2.71 H new ATOM 0 HZ PHE A 25 -0.788 -0.213 -8.307 1.00 3.31 H new ATOM 363 N GLU A 26 6.735 -0.502 -8.355 1.00 0.46 N ATOM 364 CA GLU A 26 7.698 0.067 -7.419 1.00 0.47 C ATOM 365 C GLU A 26 6.975 0.754 -6.254 1.00 0.45 C ATOM 366 O GLU A 26 5.851 1.230 -6.426 1.00 0.42 O ATOM 367 CB GLU A 26 8.595 1.094 -8.134 1.00 0.48 C ATOM 368 CG GLU A 26 10.067 0.673 -8.242 1.00 0.72 C ATOM 369 CD GLU A 26 10.958 1.903 -8.125 1.00 1.39 C ATOM 370 OE1 GLU A 26 10.754 2.824 -8.945 1.00 1.69 O ATOM 371 OE2 GLU A 26 11.762 1.931 -7.171 1.00 2.71 O ATOM 0 H GLU A 26 6.577 0.082 -9.176 1.00 0.46 H new ATOM 0 HA GLU A 26 8.313 -0.745 -7.031 1.00 0.47 H new ATOM 0 HB2 GLU A 26 8.203 1.267 -9.136 1.00 0.48 H new ATOM 0 HB3 GLU A 26 8.538 2.043 -7.601 1.00 0.48 H new ATOM 0 HG2 GLU A 26 10.310 -0.041 -7.456 1.00 0.72 H new ATOM 0 HG3 GLU A 26 10.244 0.172 -9.194 1.00 0.72 H new ATOM 378 N PRO A 27 7.627 0.886 -5.087 1.00 0.47 N ATOM 379 CA PRO A 27 7.014 1.474 -3.915 1.00 0.48 C ATOM 380 C PRO A 27 6.820 2.977 -4.088 1.00 0.41 C ATOM 381 O PRO A 27 5.688 3.449 -4.090 1.00 0.33 O ATOM 382 CB PRO A 27 7.938 1.140 -2.744 1.00 0.58 C ATOM 383 CG PRO A 27 9.304 0.884 -3.382 1.00 0.63 C ATOM 384 CD PRO A 27 8.983 0.442 -4.809 1.00 0.52 C ATOM 0 HA PRO A 27 6.015 1.074 -3.741 1.00 0.48 H new ATOM 0 HB2 PRO A 27 7.983 1.962 -2.030 1.00 0.58 H new ATOM 0 HB3 PRO A 27 7.585 0.264 -2.200 1.00 0.58 H new ATOM 0 HG2 PRO A 27 9.920 1.783 -3.374 1.00 0.63 H new ATOM 0 HG3 PRO A 27 9.856 0.114 -2.843 1.00 0.63 H new ATOM 0 HD2 PRO A 27 9.687 0.879 -5.517 1.00 0.52 H new ATOM 0 HD3 PRO A 27 9.064 -0.641 -4.907 1.00 0.52 H new ATOM 392 N GLN A 28 7.911 3.736 -4.230 1.00 0.50 N ATOM 393 CA GLN A 28 7.851 5.187 -4.365 1.00 0.52 C ATOM 394 C GLN A 28 7.059 5.587 -5.616 1.00 0.52 C ATOM 395 O GLN A 28 6.364 6.604 -5.615 1.00 0.67 O ATOM 396 CB GLN A 28 9.264 5.783 -4.334 1.00 0.59 C ATOM 397 CG GLN A 28 9.813 5.739 -2.899 1.00 0.85 C ATOM 398 CD GLN A 28 11.281 6.142 -2.823 1.00 1.17 C ATOM 399 OE1 GLN A 28 12.140 5.322 -2.522 1.00 2.46 O ATOM 400 NE2 GLN A 28 11.588 7.411 -3.082 1.00 1.08 N ATOM 0 H GLN A 28 8.858 3.358 -4.254 1.00 0.50 H new ATOM 0 HA GLN A 28 7.312 5.605 -3.515 1.00 0.52 H new ATOM 0 HB2 GLN A 28 9.920 5.224 -5.002 1.00 0.59 H new ATOM 0 HB3 GLN A 28 9.243 6.811 -4.694 1.00 0.59 H new ATOM 0 HG2 GLN A 28 9.224 6.404 -2.268 1.00 0.85 H new ATOM 0 HG3 GLN A 28 9.695 4.732 -2.499 1.00 0.85 H new ATOM 0 HE21 GLN A 28 10.853 8.073 -3.330 1.00 1.08 H new ATOM 0 HE22 GLN A 28 12.558 7.721 -3.032 1.00 1.08 H new ATOM 409 N LYS A 29 7.116 4.767 -6.668 1.00 0.50 N ATOM 410 CA LYS A 29 6.263 4.939 -7.832 1.00 0.40 C ATOM 411 C LYS A 29 4.795 4.823 -7.407 1.00 0.35 C ATOM 412 O LYS A 29 4.035 5.790 -7.508 1.00 0.35 O ATOM 413 CB LYS A 29 6.648 3.909 -8.908 1.00 0.44 C ATOM 414 CG LYS A 29 5.949 4.091 -10.267 1.00 0.49 C ATOM 415 CD LYS A 29 6.306 5.424 -10.952 1.00 1.24 C ATOM 416 CE LYS A 29 5.226 6.508 -10.777 1.00 2.58 C ATOM 417 NZ LYS A 29 4.032 6.264 -11.616 1.00 3.41 N ATOM 0 H LYS A 29 7.752 3.972 -6.731 1.00 0.50 H new ATOM 0 HA LYS A 29 6.401 5.929 -8.266 1.00 0.40 H new ATOM 0 HB2 LYS A 29 7.726 3.954 -9.063 1.00 0.44 H new ATOM 0 HB3 LYS A 29 6.422 2.912 -8.531 1.00 0.44 H new ATOM 0 HG2 LYS A 29 6.223 3.266 -10.924 1.00 0.49 H new ATOM 0 HG3 LYS A 29 4.870 4.039 -10.124 1.00 0.49 H new ATOM 0 HD2 LYS A 29 7.249 5.792 -10.547 1.00 1.24 H new ATOM 0 HD3 LYS A 29 6.464 5.247 -12.016 1.00 1.24 H new ATOM 0 HE2 LYS A 29 4.927 6.551 -9.730 1.00 2.58 H new ATOM 0 HE3 LYS A 29 5.649 7.481 -11.028 1.00 2.58 H new ATOM 0 HZ1 LYS A 29 3.933 7.031 -12.311 1.00 3.41 H new ATOM 0 HZ2 LYS A 29 4.137 5.357 -12.114 1.00 3.41 H new ATOM 0 HZ3 LYS A 29 3.185 6.232 -11.013 1.00 3.41 H new ATOM 431 N PHE A 30 4.397 3.636 -6.932 1.00 0.38 N ATOM 432 CA PHE A 30 3.013 3.332 -6.600 1.00 0.42 C ATOM 433 C PHE A 30 2.458 4.356 -5.612 1.00 0.42 C ATOM 434 O PHE A 30 1.395 4.911 -5.837 1.00 0.49 O ATOM 435 CB PHE A 30 2.907 1.907 -6.043 1.00 0.47 C ATOM 436 CG PHE A 30 1.516 1.442 -5.649 1.00 0.64 C ATOM 437 CD1 PHE A 30 0.360 1.941 -6.279 1.00 2.14 C ATOM 438 CD2 PHE A 30 1.381 0.436 -4.680 1.00 1.82 C ATOM 439 CE1 PHE A 30 -0.914 1.544 -5.841 1.00 2.21 C ATOM 440 CE2 PHE A 30 0.114 0.055 -4.227 1.00 1.94 C ATOM 441 CZ PHE A 30 -1.033 0.679 -4.745 1.00 1.07 C ATOM 0 H PHE A 30 5.037 2.859 -6.769 1.00 0.38 H new ATOM 0 HA PHE A 30 2.411 3.390 -7.507 1.00 0.42 H new ATOM 0 HB2 PHE A 30 3.300 1.217 -6.790 1.00 0.47 H new ATOM 0 HB3 PHE A 30 3.554 1.832 -5.169 1.00 0.47 H new ATOM 0 HD1 PHE A 30 0.453 2.633 -7.103 1.00 2.14 H new ATOM 0 HD2 PHE A 30 2.261 -0.047 -4.282 1.00 1.82 H new ATOM 0 HE1 PHE A 30 -1.798 1.904 -6.347 1.00 2.21 H new ATOM 0 HE2 PHE A 30 0.017 -0.718 -3.479 1.00 1.94 H new ATOM 0 HZ PHE A 30 -2.000 0.493 -4.302 1.00 1.07 H new ATOM 451 N PHE A 31 3.204 4.631 -4.546 1.00 0.45 N ATOM 452 CA PHE A 31 2.988 5.672 -3.552 1.00 0.48 C ATOM 453 C PHE A 31 2.389 6.937 -4.173 1.00 0.46 C ATOM 454 O PHE A 31 1.265 7.326 -3.844 1.00 0.59 O ATOM 455 CB PHE A 31 4.348 5.949 -2.890 1.00 0.79 C ATOM 456 CG PHE A 31 4.538 7.317 -2.279 1.00 1.80 C ATOM 457 CD1 PHE A 31 3.597 7.794 -1.358 1.00 2.71 C ATOM 458 CD2 PHE A 31 5.620 8.135 -2.663 1.00 3.49 C ATOM 459 CE1 PHE A 31 3.730 9.084 -0.833 1.00 4.29 C ATOM 460 CE2 PHE A 31 5.795 9.397 -2.072 1.00 4.91 C ATOM 461 CZ PHE A 31 4.859 9.864 -1.139 1.00 5.11 C ATOM 0 H PHE A 31 4.042 4.087 -4.341 1.00 0.45 H new ATOM 0 HA PHE A 31 2.263 5.343 -2.808 1.00 0.48 H new ATOM 0 HB2 PHE A 31 4.505 5.203 -2.111 1.00 0.79 H new ATOM 0 HB3 PHE A 31 5.127 5.799 -3.637 1.00 0.79 H new ATOM 0 HD1 PHE A 31 2.771 7.168 -1.054 1.00 2.71 H new ATOM 0 HD2 PHE A 31 6.316 7.790 -3.413 1.00 3.49 H new ATOM 0 HE1 PHE A 31 2.961 9.483 -0.189 1.00 4.29 H new ATOM 0 HE2 PHE A 31 6.648 10.005 -2.335 1.00 4.91 H new ATOM 0 HZ PHE A 31 5.005 10.819 -0.657 1.00 5.11 H new ATOM 471 N GLN A 32 3.144 7.584 -5.068 1.00 0.38 N ATOM 472 CA GLN A 32 2.687 8.823 -5.670 1.00 0.42 C ATOM 473 C GLN A 32 1.480 8.524 -6.549 1.00 0.44 C ATOM 474 O GLN A 32 0.457 9.195 -6.444 1.00 0.55 O ATOM 475 CB GLN A 32 3.815 9.490 -6.468 1.00 0.50 C ATOM 476 CG GLN A 32 3.406 10.917 -6.865 1.00 1.56 C ATOM 477 CD GLN A 32 4.363 11.521 -7.885 1.00 1.83 C ATOM 478 OE1 GLN A 32 3.989 11.768 -9.025 1.00 3.32 O ATOM 479 NE2 GLN A 32 5.608 11.766 -7.491 1.00 1.56 N ATOM 0 H GLN A 32 4.061 7.268 -5.383 1.00 0.38 H new ATOM 0 HA GLN A 32 2.393 9.526 -4.890 1.00 0.42 H new ATOM 0 HB2 GLN A 32 4.727 9.517 -5.871 1.00 0.50 H new ATOM 0 HB3 GLN A 32 4.035 8.905 -7.361 1.00 0.50 H new ATOM 0 HG2 GLN A 32 2.397 10.904 -7.278 1.00 1.56 H new ATOM 0 HG3 GLN A 32 3.378 11.547 -5.976 1.00 1.56 H new ATOM 0 HE21 GLN A 32 5.892 11.550 -6.535 1.00 1.56 H new ATOM 0 HE22 GLN A 32 6.279 12.170 -8.144 1.00 1.56 H new ATOM 488 N THR A 33 1.597 7.504 -7.402 1.00 0.39 N ATOM 489 CA THR A 33 0.588 7.160 -8.383 1.00 0.42 C ATOM 490 C THR A 33 -0.754 6.802 -7.734 1.00 0.50 C ATOM 491 O THR A 33 -1.785 6.920 -8.383 1.00 0.67 O ATOM 492 CB THR A 33 1.153 6.056 -9.303 1.00 0.40 C ATOM 493 OG1 THR A 33 1.227 6.571 -10.608 1.00 0.55 O ATOM 494 CG2 THR A 33 0.312 4.785 -9.339 1.00 0.50 C ATOM 0 H THR A 33 2.411 6.890 -7.424 1.00 0.39 H new ATOM 0 HA THR A 33 0.359 8.029 -9.000 1.00 0.42 H new ATOM 0 HB THR A 33 2.127 5.777 -8.901 1.00 0.40 H new ATOM 0 HG1 THR A 33 1.272 5.831 -11.249 1.00 0.55 H new ATOM 0 HG21 THR A 33 0.777 4.060 -10.007 1.00 0.50 H new ATOM 0 HG22 THR A 33 0.246 4.364 -8.336 1.00 0.50 H new ATOM 0 HG23 THR A 33 -0.689 5.021 -9.700 1.00 0.50 H new ATOM 502 N SER A 34 -0.719 6.341 -6.482 1.00 0.46 N ATOM 503 CA SER A 34 -1.856 5.932 -5.678 1.00 0.60 C ATOM 504 C SER A 34 -2.420 7.111 -4.882 1.00 0.75 C ATOM 505 O SER A 34 -3.390 6.935 -4.143 1.00 1.15 O ATOM 506 CB SER A 34 -1.419 4.816 -4.729 1.00 0.67 C ATOM 507 OG SER A 34 -2.523 4.310 -4.000 1.00 1.43 O ATOM 0 H SER A 34 0.162 6.240 -5.978 1.00 0.46 H new ATOM 0 HA SER A 34 -2.644 5.570 -6.338 1.00 0.60 H new ATOM 0 HB2 SER A 34 -0.954 4.011 -5.298 1.00 0.67 H new ATOM 0 HB3 SER A 34 -0.665 5.195 -4.039 1.00 0.67 H new ATOM 0 HG SER A 34 -3.193 5.016 -3.889 1.00 1.43 H new ATOM 513 N GLY A 35 -1.782 8.281 -4.967 1.00 0.56 N ATOM 514 CA GLY A 35 -2.313 9.510 -4.388 1.00 0.68 C ATOM 515 C GLY A 35 -2.033 9.584 -2.894 1.00 0.53 C ATOM 516 O GLY A 35 -2.448 10.521 -2.211 1.00 0.62 O ATOM 0 H GLY A 35 -0.885 8.399 -5.439 1.00 0.56 H new ATOM 0 HA2 GLY A 35 -1.868 10.371 -4.887 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -3.388 9.561 -4.562 1.00 0.68 H new ATOM 520 N LEU A 36 -1.271 8.623 -2.378 1.00 0.54 N ATOM 521 CA LEU A 36 -0.966 8.523 -0.969 1.00 0.52 C ATOM 522 C LEU A 36 -0.056 9.684 -0.548 1.00 0.50 C ATOM 523 O LEU A 36 -0.095 10.128 0.594 1.00 0.50 O ATOM 524 CB LEU A 36 -0.357 7.143 -0.716 1.00 0.63 C ATOM 525 CG LEU A 36 -1.255 5.965 -1.128 1.00 0.96 C ATOM 526 CD1 LEU A 36 -0.537 4.649 -0.805 1.00 1.49 C ATOM 527 CD2 LEU A 36 -2.624 5.980 -0.440 1.00 1.18 C ATOM 0 H LEU A 36 -0.846 7.886 -2.941 1.00 0.54 H new ATOM 0 HA LEU A 36 -1.862 8.611 -0.354 1.00 0.52 H new ATOM 0 HB2 LEU A 36 0.586 7.071 -1.258 1.00 0.63 H new ATOM 0 HB3 LEU A 36 -0.123 7.052 0.345 1.00 0.63 H new ATOM 0 HG LEU A 36 -1.438 6.060 -2.198 1.00 0.96 H new ATOM 0 HD11 LEU A 36 -1.169 3.809 -1.095 1.00 1.49 H new ATOM 0 HD12 LEU A 36 0.403 4.603 -1.355 1.00 1.49 H new ATOM 0 HD13 LEU A 36 -0.334 4.598 0.265 1.00 1.49 H new ATOM 0 HD21 LEU A 36 -3.208 5.123 -0.774 1.00 1.18 H new ATOM 0 HD22 LEU A 36 -2.489 5.928 0.640 1.00 1.18 H new ATOM 0 HD23 LEU A 36 -3.150 6.900 -0.696 1.00 1.18 H new ATOM 539 N SER A 37 0.722 10.217 -1.497 1.00 0.63 N ATOM 540 CA SER A 37 1.477 11.458 -1.350 1.00 0.86 C ATOM 541 C SER A 37 0.546 12.659 -1.161 1.00 0.85 C ATOM 542 O SER A 37 0.928 13.648 -0.541 1.00 1.00 O ATOM 543 CB SER A 37 2.337 11.647 -2.610 1.00 1.24 C ATOM 544 OG SER A 37 3.208 12.754 -2.495 1.00 2.15 O ATOM 0 H SER A 37 0.844 9.782 -2.412 1.00 0.63 H new ATOM 0 HA SER A 37 2.107 11.394 -0.463 1.00 0.86 H new ATOM 0 HB2 SER A 37 2.920 10.744 -2.790 1.00 1.24 H new ATOM 0 HB3 SER A 37 1.688 11.785 -3.475 1.00 1.24 H new ATOM 0 HG SER A 37 3.738 12.840 -3.315 1.00 2.15 H new ATOM 550 N LYS A 38 -0.655 12.605 -1.744 1.00 0.80 N ATOM 551 CA LYS A 38 -1.596 13.707 -1.705 1.00 0.96 C ATOM 552 C LYS A 38 -2.430 13.611 -0.437 1.00 0.84 C ATOM 553 O LYS A 38 -2.751 14.629 0.171 1.00 0.95 O ATOM 554 CB LYS A 38 -2.477 13.701 -2.965 1.00 1.13 C ATOM 555 CG LYS A 38 -2.611 15.115 -3.544 1.00 1.51 C ATOM 556 CD LYS A 38 -1.274 15.606 -4.131 1.00 1.83 C ATOM 557 CE LYS A 38 -0.908 16.996 -3.588 1.00 2.69 C ATOM 558 NZ LYS A 38 0.407 17.455 -4.082 1.00 4.00 N ATOM 0 H LYS A 38 -0.994 11.790 -2.255 1.00 0.80 H new ATOM 0 HA LYS A 38 -1.056 14.653 -1.691 1.00 0.96 H new ATOM 0 HB2 LYS A 38 -2.045 13.037 -3.713 1.00 1.13 H new ATOM 0 HB3 LYS A 38 -3.464 13.308 -2.722 1.00 1.13 H new ATOM 0 HG2 LYS A 38 -3.376 15.122 -4.320 1.00 1.51 H new ATOM 0 HG3 LYS A 38 -2.942 15.800 -2.764 1.00 1.51 H new ATOM 0 HD2 LYS A 38 -0.483 14.897 -3.886 1.00 1.83 H new ATOM 0 HD3 LYS A 38 -1.343 15.643 -5.218 1.00 1.83 H new ATOM 0 HE2 LYS A 38 -1.675 17.713 -3.880 1.00 2.69 H new ATOM 0 HE3 LYS A 38 -0.896 16.968 -2.498 1.00 2.69 H new ATOM 0 HZ1 LYS A 38 0.615 18.396 -3.692 1.00 4.00 H new ATOM 0 HZ2 LYS A 38 1.144 16.785 -3.782 1.00 4.00 H new ATOM 0 HZ3 LYS A 38 0.389 17.507 -5.121 1.00 4.00 H new ATOM 572 N MET A 39 -2.787 12.384 -0.050 1.00 0.68 N ATOM 573 CA MET A 39 -3.483 12.161 1.201 1.00 0.65 C ATOM 574 C MET A 39 -2.686 12.733 2.386 1.00 0.72 C ATOM 575 O MET A 39 -1.508 12.427 2.563 1.00 1.59 O ATOM 576 CB MET A 39 -3.741 10.662 1.378 1.00 0.54 C ATOM 577 CG MET A 39 -4.972 10.209 0.591 1.00 0.75 C ATOM 578 SD MET A 39 -5.411 8.469 0.832 1.00 2.36 S ATOM 579 CE MET A 39 -7.160 8.546 0.386 1.00 3.15 C ATOM 0 H MET A 39 -2.602 11.538 -0.589 1.00 0.68 H new ATOM 0 HA MET A 39 -4.439 12.683 1.175 1.00 0.65 H new ATOM 0 HB2 MET A 39 -2.868 10.100 1.046 1.00 0.54 H new ATOM 0 HB3 MET A 39 -3.881 10.438 2.436 1.00 0.54 H new ATOM 0 HG2 MET A 39 -5.821 10.829 0.878 1.00 0.75 H new ATOM 0 HG3 MET A 39 -4.795 10.383 -0.470 1.00 0.75 H new ATOM 0 HE1 MET A 39 -7.590 7.545 0.425 1.00 3.15 H new ATOM 0 HE2 MET A 39 -7.686 9.194 1.087 1.00 3.15 H new ATOM 0 HE3 MET A 39 -7.261 8.945 -0.623 1.00 3.15 H new ATOM 589 N SER A 40 -3.333 13.554 3.221 1.00 0.82 N ATOM 590 CA SER A 40 -2.742 14.051 4.451 1.00 0.80 C ATOM 591 C SER A 40 -2.465 12.889 5.407 1.00 0.62 C ATOM 592 O SER A 40 -3.120 11.851 5.319 1.00 0.47 O ATOM 593 CB SER A 40 -3.709 15.050 5.097 1.00 0.96 C ATOM 594 OG SER A 40 -4.162 15.965 4.120 1.00 2.10 O ATOM 0 H SER A 40 -4.282 13.888 3.055 1.00 0.82 H new ATOM 0 HA SER A 40 -1.797 14.548 4.231 1.00 0.80 H new ATOM 0 HB2 SER A 40 -4.555 14.522 5.536 1.00 0.96 H new ATOM 0 HB3 SER A 40 -3.211 15.583 5.907 1.00 0.96 H new ATOM 0 HG SER A 40 -4.782 16.603 4.532 1.00 2.10 H new ATOM 600 N ALA A 41 -1.551 13.092 6.365 1.00 0.70 N ATOM 601 CA ALA A 41 -1.211 12.115 7.397 1.00 0.59 C ATOM 602 C ALA A 41 -2.455 11.439 7.978 1.00 0.48 C ATOM 603 O ALA A 41 -2.460 10.230 8.193 1.00 0.40 O ATOM 604 CB ALA A 41 -0.420 12.796 8.516 1.00 0.72 C ATOM 0 H ALA A 41 -1.019 13.959 6.442 1.00 0.70 H new ATOM 0 HA ALA A 41 -0.602 11.341 6.931 1.00 0.59 H new ATOM 0 HB1 ALA A 41 -0.169 12.063 9.283 1.00 0.72 H new ATOM 0 HB2 ALA A 41 0.497 13.221 8.107 1.00 0.72 H new ATOM 0 HB3 ALA A 41 -1.023 13.590 8.957 1.00 0.72 H new ATOM 610 N ASN A 42 -3.511 12.222 8.215 1.00 0.60 N ATOM 611 CA ASN A 42 -4.787 11.731 8.719 1.00 0.66 C ATOM 612 C ASN A 42 -5.316 10.623 7.814 1.00 0.55 C ATOM 613 O ASN A 42 -5.526 9.501 8.268 1.00 0.58 O ATOM 614 CB ASN A 42 -5.808 12.875 8.805 1.00 0.88 C ATOM 615 CG ASN A 42 -5.254 14.060 9.586 1.00 0.97 C ATOM 616 OD1 ASN A 42 -4.427 14.799 9.057 1.00 1.91 O ATOM 617 ND2 ASN A 42 -5.672 14.237 10.834 1.00 2.53 N ATOM 0 H ASN A 42 -3.499 13.230 8.058 1.00 0.60 H new ATOM 0 HA ASN A 42 -4.633 11.328 9.720 1.00 0.66 H new ATOM 0 HB2 ASN A 42 -6.082 13.196 7.800 1.00 0.88 H new ATOM 0 HB3 ASN A 42 -6.719 12.516 9.284 1.00 0.88 H new ATOM 0 HD21 ASN A 42 -5.305 15.009 11.390 1.00 2.53 H new ATOM 0 HD22 ASN A 42 -6.360 13.601 11.236 1.00 2.53 H new ATOM 624 N GLN A 43 -5.509 10.941 6.530 1.00 0.50 N ATOM 625 CA GLN A 43 -6.006 9.988 5.554 1.00 0.45 C ATOM 626 C GLN A 43 -5.042 8.813 5.452 1.00 0.35 C ATOM 627 O GLN A 43 -5.473 7.676 5.538 1.00 0.43 O ATOM 628 CB GLN A 43 -6.246 10.659 4.192 1.00 0.46 C ATOM 629 CG GLN A 43 -7.696 11.146 4.044 1.00 0.72 C ATOM 630 CD GLN A 43 -8.697 9.995 3.911 1.00 1.32 C ATOM 631 OE1 GLN A 43 -8.318 8.847 3.708 1.00 2.85 O ATOM 632 NE2 GLN A 43 -9.989 10.288 4.009 1.00 1.45 N ATOM 0 H GLN A 43 -5.323 11.868 6.146 1.00 0.50 H new ATOM 0 HA GLN A 43 -6.973 9.609 5.885 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -5.566 11.503 4.077 1.00 0.46 H new ATOM 0 HB3 GLN A 43 -6.016 9.953 3.394 1.00 0.46 H new ATOM 0 HG2 GLN A 43 -7.961 11.754 4.909 1.00 0.72 H new ATOM 0 HG3 GLN A 43 -7.771 11.790 3.168 1.00 0.72 H new ATOM 0 HE21 GLN A 43 -10.282 11.250 4.178 1.00 1.45 H new ATOM 0 HE22 GLN A 43 -10.688 9.551 3.915 1.00 1.45 H new ATOM 641 N VAL A 44 -3.738 9.057 5.322 1.00 0.30 N ATOM 642 CA VAL A 44 -2.756 7.989 5.211 1.00 0.34 C ATOM 643 C VAL A 44 -2.885 7.013 6.395 1.00 0.39 C ATOM 644 O VAL A 44 -2.947 5.798 6.213 1.00 0.47 O ATOM 645 CB VAL A 44 -1.366 8.638 5.110 1.00 0.41 C ATOM 646 CG1 VAL A 44 -0.253 7.598 5.131 1.00 0.56 C ATOM 647 CG2 VAL A 44 -1.243 9.443 3.810 1.00 0.44 C ATOM 0 H VAL A 44 -3.339 9.995 5.291 1.00 0.30 H new ATOM 0 HA VAL A 44 -2.923 7.389 4.316 1.00 0.34 H new ATOM 0 HB VAL A 44 -1.261 9.292 5.976 1.00 0.41 H new ATOM 0 HG11 VAL A 44 0.713 8.097 5.058 1.00 0.56 H new ATOM 0 HG12 VAL A 44 -0.300 7.034 6.062 1.00 0.56 H new ATOM 0 HG13 VAL A 44 -0.375 6.918 4.288 1.00 0.56 H new ATOM 0 HG21 VAL A 44 -0.253 9.896 3.755 1.00 0.44 H new ATOM 0 HG22 VAL A 44 -1.387 8.780 2.957 1.00 0.44 H new ATOM 0 HG23 VAL A 44 -2.001 10.226 3.794 1.00 0.44 H new ATOM 657 N LYS A 45 -2.943 7.529 7.623 1.00 0.42 N ATOM 658 CA LYS A 45 -3.039 6.688 8.807 1.00 0.60 C ATOM 659 C LYS A 45 -4.445 6.097 8.974 1.00 0.58 C ATOM 660 O LYS A 45 -4.599 5.075 9.645 1.00 0.73 O ATOM 661 CB LYS A 45 -2.584 7.482 10.040 1.00 0.87 C ATOM 662 CG LYS A 45 -2.018 6.553 11.122 1.00 1.39 C ATOM 663 CD LYS A 45 -1.452 7.377 12.286 1.00 1.98 C ATOM 664 CE LYS A 45 -0.786 6.453 13.317 1.00 2.59 C ATOM 665 NZ LYS A 45 -0.144 7.207 14.414 1.00 3.15 N ATOM 0 H LYS A 45 -2.925 8.530 7.820 1.00 0.42 H new ATOM 0 HA LYS A 45 -2.372 5.834 8.689 1.00 0.60 H new ATOM 0 HB2 LYS A 45 -1.826 8.209 9.748 1.00 0.87 H new ATOM 0 HB3 LYS A 45 -3.426 8.045 10.444 1.00 0.87 H new ATOM 0 HG2 LYS A 45 -2.801 5.887 11.485 1.00 1.39 H new ATOM 0 HG3 LYS A 45 -1.235 5.924 10.698 1.00 1.39 H new ATOM 0 HD2 LYS A 45 -0.726 8.098 11.911 1.00 1.98 H new ATOM 0 HD3 LYS A 45 -2.251 7.946 12.760 1.00 1.98 H new ATOM 0 HE2 LYS A 45 -1.534 5.777 13.732 1.00 2.59 H new ATOM 0 HE3 LYS A 45 -0.039 5.835 12.819 1.00 2.59 H new ATOM 0 HZ1 LYS A 45 0.291 6.542 15.084 1.00 3.15 H new ATOM 0 HZ2 LYS A 45 0.588 7.833 14.023 1.00 3.15 H new ATOM 0 HZ3 LYS A 45 -0.859 7.778 14.908 1.00 3.15 H new ATOM 679 N ASP A 46 -5.475 6.733 8.411 1.00 0.58 N ATOM 680 CA ASP A 46 -6.804 6.143 8.306 1.00 0.63 C ATOM 681 C ASP A 46 -6.739 4.950 7.352 1.00 0.63 C ATOM 682 O ASP A 46 -6.868 3.814 7.799 1.00 0.88 O ATOM 683 CB ASP A 46 -7.828 7.198 7.866 1.00 0.64 C ATOM 684 CG ASP A 46 -9.246 6.652 7.762 1.00 1.65 C ATOM 685 OD1 ASP A 46 -9.444 5.472 8.122 1.00 2.84 O ATOM 686 OD2 ASP A 46 -10.113 7.440 7.329 1.00 2.39 O ATOM 0 H ASP A 46 -5.407 7.671 8.016 1.00 0.58 H new ATOM 0 HA ASP A 46 -7.137 5.781 9.279 1.00 0.63 H new ATOM 0 HB2 ASP A 46 -7.815 8.025 8.576 1.00 0.64 H new ATOM 0 HB3 ASP A 46 -7.530 7.603 6.899 1.00 0.64 H new ATOM 691 N VAL A 47 -6.456 5.183 6.065 1.00 0.45 N ATOM 692 CA VAL A 47 -6.352 4.134 5.057 1.00 0.47 C ATOM 693 C VAL A 47 -5.487 2.978 5.563 1.00 0.57 C ATOM 694 O VAL A 47 -5.944 1.836 5.556 1.00 0.59 O ATOM 695 CB VAL A 47 -5.927 4.662 3.665 1.00 0.42 C ATOM 696 CG1 VAL A 47 -6.843 5.791 3.178 1.00 0.42 C ATOM 697 CG2 VAL A 47 -4.475 5.100 3.530 1.00 0.53 C ATOM 0 H VAL A 47 -6.292 6.119 5.695 1.00 0.45 H new ATOM 0 HA VAL A 47 -7.354 3.737 4.897 1.00 0.47 H new ATOM 0 HB VAL A 47 -6.032 3.782 3.030 1.00 0.42 H new ATOM 0 HG11 VAL A 47 -6.510 6.133 2.198 1.00 0.42 H new ATOM 0 HG12 VAL A 47 -7.867 5.423 3.106 1.00 0.42 H new ATOM 0 HG13 VAL A 47 -6.805 6.621 3.884 1.00 0.42 H new ATOM 0 HG21 VAL A 47 -4.294 5.450 2.514 1.00 0.53 H new ATOM 0 HG22 VAL A 47 -4.272 5.907 4.234 1.00 0.53 H new ATOM 0 HG23 VAL A 47 -3.819 4.257 3.746 1.00 0.53 H new ATOM 707 N PHE A 48 -4.280 3.250 6.073 1.00 0.67 N ATOM 708 CA PHE A 48 -3.453 2.178 6.609 1.00 0.87 C ATOM 709 C PHE A 48 -4.182 1.378 7.686 1.00 0.89 C ATOM 710 O PHE A 48 -4.125 0.155 7.655 1.00 0.90 O ATOM 711 CB PHE A 48 -2.088 2.677 7.100 1.00 1.23 C ATOM 712 CG PHE A 48 -1.070 2.848 5.990 1.00 2.89 C ATOM 713 CD1 PHE A 48 -0.728 1.743 5.188 1.00 4.06 C ATOM 714 CD2 PHE A 48 -0.412 4.076 5.795 1.00 4.16 C ATOM 715 CE1 PHE A 48 0.156 1.902 4.111 1.00 5.84 C ATOM 716 CE2 PHE A 48 0.498 4.225 4.733 1.00 6.04 C ATOM 717 CZ PHE A 48 0.751 3.149 3.867 1.00 6.72 C ATOM 0 H PHE A 48 -3.867 4.181 6.123 1.00 0.67 H new ATOM 0 HA PHE A 48 -3.257 1.499 5.779 1.00 0.87 H new ATOM 0 HB2 PHE A 48 -2.221 3.631 7.610 1.00 1.23 H new ATOM 0 HB3 PHE A 48 -1.697 1.974 7.836 1.00 1.23 H new ATOM 0 HD1 PHE A 48 -1.147 0.771 5.402 1.00 4.06 H new ATOM 0 HD2 PHE A 48 -0.606 4.904 6.461 1.00 4.16 H new ATOM 0 HE1 PHE A 48 0.379 1.063 3.468 1.00 5.84 H new ATOM 0 HE2 PHE A 48 1.003 5.168 4.583 1.00 6.04 H new ATOM 0 HZ PHE A 48 1.402 3.281 3.015 1.00 6.72 H new ATOM 727 N ARG A 49 -4.886 2.028 8.614 1.00 0.97 N ATOM 728 CA ARG A 49 -5.658 1.302 9.615 1.00 1.08 C ATOM 729 C ARG A 49 -6.855 0.570 9.005 1.00 0.81 C ATOM 730 O ARG A 49 -7.188 -0.523 9.448 1.00 0.84 O ATOM 731 CB ARG A 49 -6.085 2.234 10.750 1.00 1.49 C ATOM 732 CG ARG A 49 -4.889 2.470 11.680 1.00 1.99 C ATOM 733 CD ARG A 49 -5.261 3.441 12.798 1.00 2.47 C ATOM 734 NE ARG A 49 -5.455 4.794 12.260 1.00 3.40 N ATOM 735 CZ ARG A 49 -5.817 5.854 12.996 1.00 4.08 C ATOM 736 NH1 ARG A 49 -6.021 5.700 14.311 1.00 3.43 N ATOM 737 NH2 ARG A 49 -5.956 7.055 12.425 1.00 6.09 N ATOM 0 H ARG A 49 -4.936 3.044 8.691 1.00 0.97 H new ATOM 0 HA ARG A 49 -5.008 0.534 10.034 1.00 1.08 H new ATOM 0 HB2 ARG A 49 -6.440 3.182 10.345 1.00 1.49 H new ATOM 0 HB3 ARG A 49 -6.913 1.795 11.306 1.00 1.49 H new ATOM 0 HG2 ARG A 49 -4.562 1.522 12.108 1.00 1.99 H new ATOM 0 HG3 ARG A 49 -4.050 2.868 11.109 1.00 1.99 H new ATOM 0 HD2 ARG A 49 -6.173 3.105 13.291 1.00 2.47 H new ATOM 0 HD3 ARG A 49 -4.476 3.453 13.554 1.00 2.47 H new ATOM 0 HE ARG A 49 -5.304 4.936 11.261 1.00 3.40 H new ATOM 0 HH11 ARG A 49 -5.901 4.783 14.742 1.00 3.43 H new ATOM 0 HH12 ARG A 49 -6.297 6.499 14.881 1.00 3.43 H new ATOM 0 HH21 ARG A 49 -5.786 7.167 11.425 1.00 6.09 H new ATOM 0 HH22 ARG A 49 -6.232 7.859 12.989 1.00 6.09 H new ATOM 751 N PHE A 50 -7.512 1.153 7.999 1.00 0.67 N ATOM 752 CA PHE A 50 -8.662 0.539 7.358 1.00 0.76 C ATOM 753 C PHE A 50 -8.231 -0.759 6.669 1.00 0.64 C ATOM 754 O PHE A 50 -8.925 -1.771 6.728 1.00 0.90 O ATOM 755 CB PHE A 50 -9.286 1.545 6.380 1.00 1.00 C ATOM 756 CG PHE A 50 -10.645 1.143 5.844 1.00 1.15 C ATOM 757 CD1 PHE A 50 -11.769 1.218 6.685 1.00 2.28 C ATOM 758 CD2 PHE A 50 -10.804 0.758 4.497 1.00 2.10 C ATOM 759 CE1 PHE A 50 -13.050 0.929 6.184 1.00 2.80 C ATOM 760 CE2 PHE A 50 -12.088 0.477 3.994 1.00 2.91 C ATOM 761 CZ PHE A 50 -13.211 0.572 4.834 1.00 2.84 C ATOM 0 H PHE A 50 -7.257 2.062 7.612 1.00 0.67 H new ATOM 0 HA PHE A 50 -9.422 0.277 8.094 1.00 0.76 H new ATOM 0 HB2 PHE A 50 -9.378 2.509 6.880 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.606 1.685 5.540 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -11.648 1.499 7.721 1.00 2.28 H new ATOM 0 HD2 PHE A 50 -9.941 0.679 3.852 1.00 2.10 H new ATOM 0 HE1 PHE A 50 -13.910 0.981 6.836 1.00 2.80 H new ATOM 0 HE2 PHE A 50 -12.211 0.188 2.961 1.00 2.91 H new ATOM 0 HZ PHE A 50 -14.197 0.371 4.442 1.00 2.84 H new ATOM 771 N ILE A 51 -7.064 -0.725 6.020 1.00 0.58 N ATOM 772 CA ILE A 51 -6.482 -1.885 5.369 1.00 0.88 C ATOM 773 C ILE A 51 -5.815 -2.839 6.379 1.00 0.68 C ATOM 774 O ILE A 51 -5.854 -4.052 6.160 1.00 1.17 O ATOM 775 CB ILE A 51 -5.579 -1.425 4.209 1.00 1.43 C ATOM 776 CG1 ILE A 51 -6.416 -0.920 3.009 1.00 2.07 C ATOM 777 CG2 ILE A 51 -4.729 -2.593 3.708 1.00 1.52 C ATOM 778 CD1 ILE A 51 -6.669 0.585 2.976 1.00 1.58 C ATOM 0 H ILE A 51 -6.498 0.119 5.935 1.00 0.58 H new ATOM 0 HA ILE A 51 -7.268 -2.494 4.923 1.00 0.88 H new ATOM 0 HB ILE A 51 -4.954 -0.619 4.592 1.00 1.43 H new ATOM 0 HG12 ILE A 51 -5.909 -1.207 2.088 1.00 2.07 H new ATOM 0 HG13 ILE A 51 -7.378 -1.433 3.017 1.00 2.07 H new ATOM 0 HG21 ILE A 51 -4.095 -2.256 2.888 1.00 1.52 H new ATOM 0 HG22 ILE A 51 -4.105 -2.964 4.521 1.00 1.52 H new ATOM 0 HG23 ILE A 51 -5.381 -3.393 3.357 1.00 1.52 H new ATOM 0 HD11 ILE A 51 -7.263 0.835 2.097 1.00 1.58 H new ATOM 0 HD12 ILE A 51 -7.208 0.883 3.875 1.00 1.58 H new ATOM 0 HD13 ILE A 51 -5.717 1.113 2.932 1.00 1.58 H new ATOM 790 N ASP A 52 -5.241 -2.333 7.482 1.00 0.84 N ATOM 791 CA ASP A 52 -4.760 -3.153 8.597 1.00 0.83 C ATOM 792 C ASP A 52 -5.955 -3.808 9.283 1.00 1.00 C ATOM 793 O ASP A 52 -6.390 -3.409 10.365 1.00 1.86 O ATOM 794 CB ASP A 52 -3.924 -2.329 9.595 1.00 0.97 C ATOM 795 CG ASP A 52 -3.315 -3.146 10.738 1.00 0.93 C ATOM 796 OD1 ASP A 52 -3.292 -4.396 10.655 1.00 1.17 O ATOM 797 OD2 ASP A 52 -2.847 -2.518 11.711 1.00 1.77 O ATOM 0 H ASP A 52 -5.098 -1.333 7.623 1.00 0.84 H new ATOM 0 HA ASP A 52 -4.099 -3.926 8.206 1.00 0.83 H new ATOM 0 HB2 ASP A 52 -3.120 -1.831 9.052 1.00 0.97 H new ATOM 0 HB3 ASP A 52 -4.554 -1.547 10.019 1.00 0.97 H new ATOM 802 N ASN A 53 -6.506 -4.837 8.645 1.00 0.55 N ATOM 803 CA ASN A 53 -7.470 -5.713 9.280 1.00 0.82 C ATOM 804 C ASN A 53 -6.837 -6.248 10.562 1.00 1.29 C ATOM 805 O ASN A 53 -5.616 -6.235 10.704 1.00 3.37 O ATOM 806 CB ASN A 53 -7.853 -6.855 8.336 1.00 0.97 C ATOM 807 CG ASN A 53 -9.191 -7.486 8.709 1.00 1.31 C ATOM 808 OD1 ASN A 53 -9.720 -7.270 9.795 1.00 2.76 O ATOM 809 ND2 ASN A 53 -9.766 -8.261 7.792 1.00 1.07 N ATOM 0 H ASN A 53 -6.294 -5.081 7.678 1.00 0.55 H new ATOM 0 HA ASN A 53 -8.385 -5.170 9.517 1.00 0.82 H new ATOM 0 HB2 ASN A 53 -7.903 -6.478 7.314 1.00 0.97 H new ATOM 0 HB3 ASN A 53 -7.075 -7.618 8.357 1.00 0.97 H new ATOM 0 HD21 ASN A 53 -10.670 -8.693 7.984 1.00 1.07 H new ATOM 0 HD22 ASN A 53 -9.303 -8.423 6.898 1.00 1.07 H new ATOM 816 N ASP A 54 -7.651 -6.663 11.526 1.00 1.01 N ATOM 817 CA ASP A 54 -7.200 -7.077 12.850 1.00 0.93 C ATOM 818 C ASP A 54 -6.732 -5.904 13.721 1.00 0.84 C ATOM 819 O ASP A 54 -7.099 -5.827 14.891 1.00 1.20 O ATOM 820 CB ASP A 54 -6.191 -8.247 12.781 1.00 1.11 C ATOM 821 CG ASP A 54 -4.820 -7.912 13.361 1.00 1.88 C ATOM 822 OD1 ASP A 54 -4.019 -7.225 12.675 1.00 1.95 O ATOM 823 OD2 ASP A 54 -4.578 -8.320 14.512 1.00 3.48 O ATOM 0 H ASP A 54 -8.662 -6.722 11.407 1.00 1.01 H new ATOM 0 HA ASP A 54 -8.074 -7.471 13.369 1.00 0.93 H new ATOM 0 HB2 ASP A 54 -6.603 -9.102 13.317 1.00 1.11 H new ATOM 0 HB3 ASP A 54 -6.071 -8.550 11.741 1.00 1.11 H new ATOM 828 N GLN A 55 -5.941 -4.986 13.159 1.00 0.74 N ATOM 829 CA GLN A 55 -5.296 -3.909 13.887 1.00 1.09 C ATOM 830 C GLN A 55 -4.379 -4.452 14.988 1.00 1.11 C ATOM 831 O GLN A 55 -4.376 -3.969 16.118 1.00 1.41 O ATOM 832 CB GLN A 55 -6.307 -2.832 14.333 1.00 1.47 C ATOM 833 CG GLN A 55 -6.552 -1.790 13.229 1.00 2.56 C ATOM 834 CD GLN A 55 -8.030 -1.627 12.896 1.00 2.85 C ATOM 835 OE1 GLN A 55 -8.734 -0.849 13.533 1.00 2.98 O ATOM 836 NE2 GLN A 55 -8.506 -2.349 11.890 1.00 3.84 N ATOM 0 H GLN A 55 -5.731 -4.978 12.161 1.00 0.74 H new ATOM 0 HA GLN A 55 -4.627 -3.377 13.211 1.00 1.09 H new ATOM 0 HB2 GLN A 55 -7.251 -3.307 14.601 1.00 1.47 H new ATOM 0 HB3 GLN A 55 -5.936 -2.333 15.228 1.00 1.47 H new ATOM 0 HG2 GLN A 55 -6.146 -0.829 13.545 1.00 2.56 H new ATOM 0 HG3 GLN A 55 -6.011 -2.084 12.330 1.00 2.56 H new ATOM 0 HE21 GLN A 55 -7.891 -2.986 11.383 1.00 3.84 H new ATOM 0 HE22 GLN A 55 -9.487 -2.268 11.623 1.00 3.84 H new ATOM 845 N SER A 56 -3.486 -5.370 14.599 1.00 1.07 N ATOM 846 CA SER A 56 -2.341 -5.819 15.385 1.00 1.25 C ATOM 847 C SER A 56 -1.393 -4.674 15.778 1.00 1.37 C ATOM 848 O SER A 56 -0.429 -4.909 16.504 1.00 1.94 O ATOM 849 CB SER A 56 -1.578 -6.929 14.627 1.00 1.22 C ATOM 850 OG SER A 56 -1.285 -6.598 13.271 1.00 1.08 O ATOM 0 H SER A 56 -3.548 -5.835 13.693 1.00 1.07 H new ATOM 0 HA SER A 56 -2.734 -6.222 16.318 1.00 1.25 H new ATOM 0 HB2 SER A 56 -0.645 -7.139 15.150 1.00 1.22 H new ATOM 0 HB3 SER A 56 -2.169 -7.844 14.649 1.00 1.22 H new ATOM 856 N GLY A 57 -1.606 -3.453 15.269 1.00 1.19 N ATOM 857 CA GLY A 57 -0.638 -2.372 15.366 1.00 1.38 C ATOM 858 C GLY A 57 0.524 -2.624 14.408 1.00 1.16 C ATOM 859 O GLY A 57 1.562 -1.972 14.500 1.00 1.59 O ATOM 0 H GLY A 57 -2.462 -3.194 14.777 1.00 1.19 H new ATOM 0 HA2 GLY A 57 -1.117 -1.422 15.128 1.00 1.38 H new ATOM 0 HA3 GLY A 57 -0.267 -2.295 16.388 1.00 1.38 H new ATOM 863 N TYR A 58 0.343 -3.563 13.476 1.00 0.75 N ATOM 864 CA TYR A 58 1.325 -3.953 12.496 1.00 0.65 C ATOM 865 C TYR A 58 0.595 -4.371 11.234 1.00 0.67 C ATOM 866 O TYR A 58 -0.473 -4.995 11.278 1.00 0.74 O ATOM 867 CB TYR A 58 2.234 -5.068 13.037 1.00 0.70 C ATOM 868 CG TYR A 58 3.611 -4.581 13.441 1.00 1.02 C ATOM 869 CD1 TYR A 58 4.579 -4.368 12.444 1.00 2.74 C ATOM 870 CD2 TYR A 58 3.900 -4.251 14.777 1.00 1.63 C ATOM 871 CE1 TYR A 58 5.811 -3.774 12.769 1.00 3.40 C ATOM 872 CE2 TYR A 58 5.153 -3.705 15.110 1.00 1.79 C ATOM 873 CZ TYR A 58 6.093 -3.432 14.101 1.00 2.39 C ATOM 874 OH TYR A 58 7.291 -2.866 14.418 1.00 3.11 O ATOM 0 H TYR A 58 -0.529 -4.085 13.391 1.00 0.75 H new ATOM 0 HA TYR A 58 1.981 -3.114 12.266 1.00 0.65 H new ATOM 0 HB2 TYR A 58 1.754 -5.532 13.899 1.00 0.70 H new ATOM 0 HB3 TYR A 58 2.339 -5.842 12.276 1.00 0.70 H new ATOM 0 HD1 TYR A 58 4.375 -4.662 11.425 1.00 2.74 H new ATOM 0 HD2 TYR A 58 3.161 -4.417 15.547 1.00 1.63 H new ATOM 0 HE1 TYR A 58 6.539 -3.581 11.995 1.00 3.40 H new ATOM 0 HE2 TYR A 58 5.393 -3.495 16.142 1.00 1.79 H new ATOM 0 HH TYR A 58 7.325 -2.690 15.382 1.00 3.11 H new ATOM 884 N LEU A 59 1.203 -4.000 10.110 1.00 0.67 N ATOM 885 CA LEU A 59 0.947 -4.578 8.822 1.00 0.61 C ATOM 886 C LEU A 59 2.014 -5.652 8.645 1.00 0.58 C ATOM 887 O LEU A 59 3.055 -5.444 8.021 1.00 0.63 O ATOM 888 CB LEU A 59 0.896 -3.473 7.761 1.00 0.68 C ATOM 889 CG LEU A 59 -0.308 -2.558 8.076 1.00 1.12 C ATOM 890 CD1 LEU A 59 0.052 -1.322 8.916 1.00 3.18 C ATOM 891 CD2 LEU A 59 -1.023 -2.125 6.796 1.00 1.96 C ATOM 0 H LEU A 59 1.908 -3.263 10.085 1.00 0.67 H new ATOM 0 HA LEU A 59 -0.025 -5.060 8.719 1.00 0.61 H new ATOM 0 HB2 LEU A 59 1.822 -2.898 7.766 1.00 0.68 H new ATOM 0 HB3 LEU A 59 0.795 -3.906 6.766 1.00 0.68 H new ATOM 0 HG LEU A 59 -0.978 -3.166 8.684 1.00 1.12 H new ATOM 0 HD11 LEU A 59 -0.845 -0.730 9.095 1.00 3.18 H new ATOM 0 HD12 LEU A 59 0.473 -1.640 9.870 1.00 3.18 H new ATOM 0 HD13 LEU A 59 0.784 -0.718 8.380 1.00 3.18 H new ATOM 0 HD21 LEU A 59 -1.866 -1.482 7.050 1.00 1.96 H new ATOM 0 HD22 LEU A 59 -0.328 -1.578 6.158 1.00 1.96 H new ATOM 0 HD23 LEU A 59 -1.385 -3.006 6.266 1.00 1.96 H new ATOM 903 N ASP A 60 1.750 -6.785 9.299 1.00 0.64 N ATOM 904 CA ASP A 60 2.548 -8.002 9.237 1.00 0.71 C ATOM 905 C ASP A 60 2.531 -8.548 7.793 1.00 0.68 C ATOM 906 O ASP A 60 1.770 -8.043 6.972 1.00 0.64 O ATOM 907 CB ASP A 60 1.980 -9.006 10.259 1.00 0.81 C ATOM 908 CG ASP A 60 1.743 -8.400 11.649 1.00 0.98 C ATOM 909 OD1 ASP A 60 0.629 -7.864 11.891 1.00 1.35 O ATOM 910 OD2 ASP A 60 2.699 -8.461 12.450 1.00 1.50 O ATOM 0 H ASP A 60 0.939 -6.879 9.911 1.00 0.64 H new ATOM 0 HA ASP A 60 3.590 -7.811 9.495 1.00 0.71 H new ATOM 0 HB2 ASP A 60 1.039 -9.404 9.880 1.00 0.81 H new ATOM 0 HB3 ASP A 60 2.668 -9.847 10.351 1.00 0.81 H new ATOM 915 N GLU A 61 3.351 -9.554 7.444 1.00 0.86 N ATOM 916 CA GLU A 61 3.510 -9.982 6.050 1.00 0.87 C ATOM 917 C GLU A 61 2.154 -10.186 5.360 1.00 0.75 C ATOM 918 O GLU A 61 1.838 -9.499 4.390 1.00 0.84 O ATOM 919 CB GLU A 61 4.422 -11.226 5.935 1.00 1.13 C ATOM 920 CG GLU A 61 5.303 -11.148 4.673 1.00 1.64 C ATOM 921 CD GLU A 61 5.125 -12.284 3.669 1.00 2.79 C ATOM 922 OE1 GLU A 61 3.957 -12.637 3.401 1.00 4.08 O ATOM 923 OE2 GLU A 61 6.165 -12.736 3.138 1.00 3.18 O ATOM 0 H GLU A 61 3.913 -10.084 8.111 1.00 0.86 H new ATOM 0 HA GLU A 61 4.013 -9.175 5.517 1.00 0.87 H new ATOM 0 HB2 GLU A 61 5.054 -11.302 6.820 1.00 1.13 H new ATOM 0 HB3 GLU A 61 3.811 -12.128 5.901 1.00 1.13 H new ATOM 0 HG2 GLU A 61 5.097 -10.205 4.167 1.00 1.64 H new ATOM 0 HG3 GLU A 61 6.348 -11.122 4.983 1.00 1.64 H new ATOM 930 N GLU A 62 1.317 -11.057 5.927 1.00 0.83 N ATOM 931 CA GLU A 62 -0.065 -11.277 5.535 1.00 1.13 C ATOM 932 C GLU A 62 -0.888 -10.006 5.299 1.00 1.14 C ATOM 933 O GLU A 62 -1.736 -10.027 4.413 1.00 1.32 O ATOM 934 CB GLU A 62 -0.753 -12.125 6.623 1.00 1.62 C ATOM 935 CG GLU A 62 -0.595 -13.641 6.459 1.00 1.55 C ATOM 936 CD GLU A 62 0.831 -14.082 6.182 1.00 2.27 C ATOM 937 OE1 GLU A 62 1.737 -13.547 6.857 1.00 3.51 O ATOM 938 OE2 GLU A 62 0.958 -14.945 5.282 1.00 2.97 O ATOM 0 H GLU A 62 1.602 -11.651 6.705 1.00 0.83 H new ATOM 0 HA GLU A 62 -0.027 -11.783 4.570 1.00 1.13 H new ATOM 0 HB2 GLU A 62 -0.353 -11.836 7.595 1.00 1.62 H new ATOM 0 HB3 GLU A 62 -1.816 -11.884 6.632 1.00 1.62 H new ATOM 0 HG2 GLU A 62 -0.948 -14.134 7.365 1.00 1.55 H new ATOM 0 HG3 GLU A 62 -1.234 -13.977 5.643 1.00 1.55 H new ATOM 945 N GLU A 63 -0.697 -8.909 6.040 1.00 1.11 N ATOM 946 CA GLU A 63 -1.418 -7.680 5.703 1.00 1.27 C ATOM 947 C GLU A 63 -1.092 -7.280 4.274 1.00 0.94 C ATOM 948 O GLU A 63 -1.968 -6.941 3.482 1.00 0.97 O ATOM 949 CB GLU A 63 -1.050 -6.511 6.622 1.00 1.62 C ATOM 950 CG GLU A 63 -2.225 -6.111 7.506 1.00 2.38 C ATOM 951 CD GLU A 63 -2.270 -6.945 8.761 1.00 1.37 C ATOM 952 OE1 GLU A 63 -1.257 -7.034 9.482 1.00 1.83 O ATOM 953 OE2 GLU A 63 -3.368 -7.218 9.275 1.00 2.08 O ATOM 0 H GLU A 63 -0.075 -8.846 6.846 1.00 1.11 H new ATOM 0 HA GLU A 63 -2.480 -7.890 5.827 1.00 1.27 H new ATOM 0 HB2 GLU A 63 -0.201 -6.790 7.246 1.00 1.62 H new ATOM 0 HB3 GLU A 63 -0.737 -5.657 6.021 1.00 1.62 H new ATOM 0 HG2 GLU A 63 -2.143 -5.056 7.769 1.00 2.38 H new ATOM 0 HG3 GLU A 63 -3.157 -6.230 6.953 1.00 2.38 H new ATOM 960 N LEU A 64 0.192 -7.365 3.941 1.00 0.70 N ATOM 961 CA LEU A 64 0.680 -7.119 2.602 1.00 0.67 C ATOM 962 C LEU A 64 0.418 -8.319 1.686 1.00 0.81 C ATOM 963 O LEU A 64 1.007 -8.397 0.620 1.00 1.82 O ATOM 964 CB LEU A 64 2.163 -6.715 2.670 1.00 0.77 C ATOM 965 CG LEU A 64 2.403 -5.290 2.146 1.00 1.14 C ATOM 966 CD1 LEU A 64 3.865 -4.914 2.394 1.00 2.04 C ATOM 967 CD2 LEU A 64 2.105 -5.152 0.645 1.00 2.44 C ATOM 0 H LEU A 64 0.926 -7.610 4.606 1.00 0.70 H new ATOM 0 HA LEU A 64 0.133 -6.289 2.155 1.00 0.67 H new ATOM 0 HB2 LEU A 64 2.509 -6.784 3.701 1.00 0.77 H new ATOM 0 HB3 LEU A 64 2.756 -7.419 2.087 1.00 0.77 H new ATOM 0 HG LEU A 64 1.723 -4.625 2.678 1.00 1.14 H new ATOM 0 HD11 LEU A 64 4.048 -3.904 2.026 1.00 2.04 H new ATOM 0 HD12 LEU A 64 4.075 -4.955 3.463 1.00 2.04 H new ATOM 0 HD13 LEU A 64 4.515 -5.615 1.870 1.00 2.04 H new ATOM 0 HD21 LEU A 64 2.292 -4.125 0.330 1.00 2.44 H new ATOM 0 HD22 LEU A 64 2.750 -5.827 0.082 1.00 2.44 H new ATOM 0 HD23 LEU A 64 1.062 -5.405 0.456 1.00 2.44 H new ATOM 979 N LYS A 65 -0.473 -9.241 2.066 1.00 0.69 N ATOM 980 CA LYS A 65 -1.100 -10.206 1.177 1.00 0.82 C ATOM 981 C LYS A 65 -2.558 -9.792 0.938 1.00 0.84 C ATOM 982 O LYS A 65 -3.300 -10.524 0.284 1.00 1.27 O ATOM 983 CB LYS A 65 -0.989 -11.596 1.816 1.00 1.09 C ATOM 984 CG LYS A 65 -1.178 -12.766 0.840 1.00 1.37 C ATOM 985 CD LYS A 65 -0.631 -14.067 1.450 1.00 1.58 C ATOM 986 CE LYS A 65 -1.426 -14.533 2.682 1.00 2.01 C ATOM 987 NZ LYS A 65 -0.712 -15.583 3.438 1.00 2.42 N ATOM 0 H LYS A 65 -0.783 -9.333 3.033 1.00 0.69 H new ATOM 0 HA LYS A 65 -0.603 -10.236 0.207 1.00 0.82 H new ATOM 0 HB2 LYS A 65 -0.010 -11.688 2.287 1.00 1.09 H new ATOM 0 HB3 LYS A 65 -1.733 -11.677 2.608 1.00 1.09 H new ATOM 0 HG2 LYS A 65 -2.236 -12.884 0.604 1.00 1.37 H new ATOM 0 HG3 LYS A 65 -0.664 -12.552 -0.097 1.00 1.37 H new ATOM 0 HD2 LYS A 65 -0.649 -14.852 0.694 1.00 1.58 H new ATOM 0 HD3 LYS A 65 0.412 -13.920 1.731 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -1.615 -13.681 3.335 1.00 2.01 H new ATOM 0 HE3 LYS A 65 -2.397 -14.912 2.364 1.00 2.01 H new ATOM 0 HZ1 LYS A 65 -1.378 -16.068 4.073 1.00 2.42 H new ATOM 0 HZ2 LYS A 65 -0.303 -16.271 2.774 1.00 2.42 H new ATOM 0 HZ3 LYS A 65 0.048 -15.150 4.000 1.00 2.42 H new ATOM 1001 N PHE A 66 -2.984 -8.623 1.439 1.00 0.69 N ATOM 1002 CA PHE A 66 -4.282 -8.054 1.126 1.00 0.79 C ATOM 1003 C PHE A 66 -4.285 -6.521 1.234 1.00 0.83 C ATOM 1004 O PHE A 66 -5.339 -5.944 1.502 1.00 1.11 O ATOM 1005 CB PHE A 66 -5.374 -8.702 1.998 1.00 0.98 C ATOM 1006 CG PHE A 66 -5.133 -8.729 3.500 1.00 2.36 C ATOM 1007 CD1 PHE A 66 -5.379 -7.590 4.293 1.00 4.18 C ATOM 1008 CD2 PHE A 66 -4.773 -9.939 4.121 1.00 3.27 C ATOM 1009 CE1 PHE A 66 -5.285 -7.669 5.694 1.00 5.67 C ATOM 1010 CE2 PHE A 66 -4.670 -10.015 5.521 1.00 4.84 C ATOM 1011 CZ PHE A 66 -4.934 -8.881 6.310 1.00 5.75 C ATOM 0 H PHE A 66 -2.427 -8.051 2.075 1.00 0.69 H new ATOM 0 HA PHE A 66 -4.506 -8.280 0.084 1.00 0.79 H new ATOM 0 HB2 PHE A 66 -6.311 -8.176 1.815 1.00 0.98 H new ATOM 0 HB3 PHE A 66 -5.514 -9.728 1.659 1.00 0.98 H new ATOM 0 HD1 PHE A 66 -5.641 -6.653 3.823 1.00 4.18 H new ATOM 0 HD2 PHE A 66 -4.575 -10.814 3.519 1.00 3.27 H new ATOM 0 HE1 PHE A 66 -5.483 -6.796 6.297 1.00 5.67 H new ATOM 0 HE2 PHE A 66 -4.388 -10.945 5.991 1.00 4.84 H new ATOM 0 HZ PHE A 66 -4.867 -8.942 7.386 1.00 5.75 H new ATOM 1021 N PHE A 67 -3.156 -5.847 0.976 1.00 0.73 N ATOM 1022 CA PHE A 67 -3.050 -4.393 1.065 1.00 0.79 C ATOM 1023 C PHE A 67 -4.086 -3.759 0.122 1.00 0.76 C ATOM 1024 O PHE A 67 -5.025 -3.099 0.563 1.00 0.98 O ATOM 1025 CB PHE A 67 -1.584 -3.948 0.834 1.00 0.80 C ATOM 1026 CG PHE A 67 -1.245 -2.469 0.944 1.00 0.96 C ATOM 1027 CD1 PHE A 67 -1.636 -1.727 2.070 1.00 2.20 C ATOM 1028 CD2 PHE A 67 -0.390 -1.866 -0.002 1.00 2.02 C ATOM 1029 CE1 PHE A 67 -1.442 -0.335 2.098 1.00 2.44 C ATOM 1030 CE2 PHE A 67 -0.134 -0.484 0.055 1.00 2.03 C ATOM 1031 CZ PHE A 67 -0.704 0.292 1.078 1.00 1.43 C ATOM 0 H PHE A 67 -2.287 -6.303 0.698 1.00 0.73 H new ATOM 0 HA PHE A 67 -3.293 -4.034 2.065 1.00 0.79 H new ATOM 0 HB2 PHE A 67 -0.959 -4.485 1.548 1.00 0.80 H new ATOM 0 HB3 PHE A 67 -1.290 -4.282 -0.161 1.00 0.80 H new ATOM 0 HD1 PHE A 67 -2.086 -2.226 2.915 1.00 2.20 H new ATOM 0 HD2 PHE A 67 0.070 -2.467 -0.773 1.00 2.02 H new ATOM 0 HE1 PHE A 67 -1.859 0.253 2.902 1.00 2.44 H new ATOM 0 HE2 PHE A 67 0.500 -0.020 -0.686 1.00 2.03 H new ATOM 0 HZ PHE A 67 -0.576 1.364 1.081 1.00 1.43 H new ATOM 1041 N LEU A 68 -3.980 -4.014 -1.182 1.00 0.53 N ATOM 1042 CA LEU A 68 -4.902 -3.474 -2.176 1.00 0.50 C ATOM 1043 C LEU A 68 -6.198 -4.286 -2.304 1.00 0.48 C ATOM 1044 O LEU A 68 -7.182 -3.776 -2.843 1.00 0.49 O ATOM 1045 CB LEU A 68 -4.185 -3.392 -3.521 1.00 0.59 C ATOM 1046 CG LEU A 68 -3.196 -2.228 -3.689 1.00 1.17 C ATOM 1047 CD1 LEU A 68 -2.431 -1.866 -2.416 1.00 2.46 C ATOM 1048 CD2 LEU A 68 -2.246 -2.593 -4.840 1.00 2.37 C ATOM 0 H LEU A 68 -3.248 -4.604 -1.578 1.00 0.53 H new ATOM 0 HA LEU A 68 -5.204 -2.481 -1.843 1.00 0.50 H new ATOM 0 HB2 LEU A 68 -3.646 -4.326 -3.680 1.00 0.59 H new ATOM 0 HB3 LEU A 68 -4.937 -3.320 -4.307 1.00 0.59 H new ATOM 0 HG LEU A 68 -3.762 -1.325 -3.919 1.00 1.17 H new ATOM 0 HD11 LEU A 68 -1.755 -1.036 -2.621 1.00 2.46 H new ATOM 0 HD12 LEU A 68 -3.137 -1.575 -1.638 1.00 2.46 H new ATOM 0 HD13 LEU A 68 -1.855 -2.728 -2.080 1.00 2.46 H new ATOM 0 HD21 LEU A 68 -1.528 -1.787 -4.988 1.00 2.37 H new ATOM 0 HD22 LEU A 68 -1.714 -3.512 -4.595 1.00 2.37 H new ATOM 0 HD23 LEU A 68 -2.821 -2.739 -5.754 1.00 2.37 H new ATOM 1060 N GLN A 69 -6.263 -5.507 -1.756 1.00 0.54 N ATOM 1061 CA GLN A 69 -7.477 -6.335 -1.766 1.00 0.55 C ATOM 1062 C GLN A 69 -8.581 -5.759 -0.853 1.00 0.70 C ATOM 1063 O GLN A 69 -9.503 -6.479 -0.464 1.00 1.53 O ATOM 1064 CB GLN A 69 -7.142 -7.759 -1.290 1.00 0.55 C ATOM 1065 CG GLN A 69 -6.197 -8.541 -2.209 1.00 1.14 C ATOM 1066 CD GLN A 69 -6.923 -9.211 -3.365 1.00 0.88 C ATOM 1067 OE1 GLN A 69 -7.783 -10.056 -3.146 1.00 1.58 O ATOM 1068 NE2 GLN A 69 -6.574 -8.864 -4.599 1.00 1.16 N ATOM 0 H GLN A 69 -5.471 -5.950 -1.291 1.00 0.54 H new ATOM 0 HA GLN A 69 -7.848 -6.347 -2.791 1.00 0.55 H new ATOM 0 HB2 GLN A 69 -6.694 -7.699 -0.298 1.00 0.55 H new ATOM 0 HB3 GLN A 69 -8.071 -8.320 -1.186 1.00 0.55 H new ATOM 0 HG2 GLN A 69 -5.439 -7.865 -2.605 1.00 1.14 H new ATOM 0 HG3 GLN A 69 -5.674 -9.299 -1.626 1.00 1.14 H new ATOM 0 HE21 GLN A 69 -5.854 -8.157 -4.745 1.00 1.16 H new ATOM 0 HE22 GLN A 69 -7.026 -9.305 -5.400 1.00 1.16 H new ATOM 1077 N LYS A 70 -8.471 -4.505 -0.403 1.00 0.64 N ATOM 1078 CA LYS A 70 -9.552 -3.735 0.199 1.00 0.70 C ATOM 1079 C LYS A 70 -10.074 -2.687 -0.790 1.00 0.70 C ATOM 1080 O LYS A 70 -11.227 -2.279 -0.675 1.00 1.01 O ATOM 1081 CB LYS A 70 -9.068 -3.057 1.490 1.00 1.00 C ATOM 1082 CG LYS A 70 -9.283 -3.905 2.753 1.00 1.22 C ATOM 1083 CD LYS A 70 -8.288 -5.071 2.877 1.00 1.03 C ATOM 1084 CE LYS A 70 -8.970 -6.407 3.207 1.00 1.75 C ATOM 1085 NZ LYS A 70 -9.846 -6.885 2.114 1.00 3.64 N ATOM 0 H LYS A 70 -7.595 -3.985 -0.452 1.00 0.64 H new ATOM 0 HA LYS A 70 -10.367 -4.414 0.447 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -8.007 -2.828 1.393 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -9.589 -2.107 1.608 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -9.195 -3.266 3.631 1.00 1.22 H new ATOM 0 HG3 LYS A 70 -10.298 -4.301 2.748 1.00 1.22 H new ATOM 0 HD2 LYS A 70 -7.736 -5.172 1.942 1.00 1.03 H new ATOM 0 HD3 LYS A 70 -7.560 -4.839 3.654 1.00 1.03 H new ATOM 0 HE2 LYS A 70 -8.208 -7.159 3.412 1.00 1.75 H new ATOM 0 HE3 LYS A 70 -9.559 -6.295 4.117 1.00 1.75 H new ATOM 0 HZ1 LYS A 70 -10.174 -7.849 2.328 1.00 3.64 H new ATOM 0 HZ2 LYS A 70 -10.666 -6.252 2.025 1.00 3.64 H new ATOM 0 HZ3 LYS A 70 -9.314 -6.891 1.220 1.00 3.64 H new ATOM 1099 N PHE A 71 -9.248 -2.238 -1.744 1.00 0.68 N ATOM 1100 CA PHE A 71 -9.704 -1.348 -2.802 1.00 0.82 C ATOM 1101 C PHE A 71 -10.382 -2.192 -3.874 1.00 0.84 C ATOM 1102 O PHE A 71 -11.480 -1.860 -4.315 1.00 1.12 O ATOM 1103 CB PHE A 71 -8.554 -0.457 -3.321 1.00 1.02 C ATOM 1104 CG PHE A 71 -7.887 -0.804 -4.645 1.00 3.06 C ATOM 1105 CD1 PHE A 71 -8.605 -0.714 -5.854 1.00 4.98 C ATOM 1106 CD2 PHE A 71 -6.496 -1.005 -4.692 1.00 3.99 C ATOM 1107 CE1 PHE A 71 -7.960 -0.954 -7.083 1.00 7.09 C ATOM 1108 CE2 PHE A 71 -5.846 -1.211 -5.924 1.00 6.13 C ATOM 1109 CZ PHE A 71 -6.585 -1.224 -7.116 1.00 7.53 C ATOM 0 H PHE A 71 -8.259 -2.481 -1.799 1.00 0.68 H new ATOM 0 HA PHE A 71 -10.442 -0.640 -2.425 1.00 0.82 H new ATOM 0 HB2 PHE A 71 -8.938 0.560 -3.403 1.00 1.02 H new ATOM 0 HB3 PHE A 71 -7.778 -0.444 -2.556 1.00 1.02 H new ATOM 0 HD1 PHE A 71 -9.655 -0.460 -5.838 1.00 4.98 H new ATOM 0 HD2 PHE A 71 -5.922 -1.001 -3.777 1.00 3.99 H new ATOM 0 HE1 PHE A 71 -8.526 -0.930 -8.002 1.00 7.09 H new ATOM 0 HE2 PHE A 71 -4.777 -1.359 -5.951 1.00 6.13 H new ATOM 0 HZ PHE A 71 -6.097 -1.441 -8.055 1.00 7.53 H new ATOM 1119 N GLU A 72 -9.718 -3.277 -4.287 1.00 0.76 N ATOM 1120 CA GLU A 72 -10.168 -4.133 -5.371 1.00 1.06 C ATOM 1121 C GLU A 72 -10.374 -5.561 -4.879 1.00 1.29 C ATOM 1122 O GLU A 72 -10.054 -5.898 -3.740 1.00 2.35 O ATOM 1123 CB GLU A 72 -9.113 -4.138 -6.484 1.00 1.20 C ATOM 1124 CG GLU A 72 -9.733 -3.919 -7.868 1.00 1.21 C ATOM 1125 CD GLU A 72 -8.747 -4.352 -8.934 1.00 2.44 C ATOM 1126 OE1 GLU A 72 -8.623 -5.589 -9.059 1.00 4.03 O ATOM 1127 OE2 GLU A 72 -8.126 -3.465 -9.558 1.00 3.02 O ATOM 0 H GLU A 72 -8.841 -3.583 -3.866 1.00 0.76 H new ATOM 0 HA GLU A 72 -11.115 -3.748 -5.748 1.00 1.06 H new ATOM 0 HB2 GLU A 72 -8.378 -3.357 -6.289 1.00 1.20 H new ATOM 0 HB3 GLU A 72 -8.579 -5.088 -6.473 1.00 1.20 H new ATOM 0 HG2 GLU A 72 -10.658 -4.489 -7.959 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -9.992 -2.869 -8.001 1.00 1.21 H new ATOM 1134 N SER A 73 -10.839 -6.411 -5.794 1.00 1.18 N ATOM 1135 CA SER A 73 -10.833 -7.858 -5.658 1.00 1.14 C ATOM 1136 C SER A 73 -9.610 -8.472 -6.355 1.00 1.12 C ATOM 1137 O SER A 73 -9.159 -9.547 -5.972 1.00 2.15 O ATOM 1138 CB SER A 73 -12.127 -8.415 -6.261 1.00 1.53 C ATOM 1139 OG SER A 73 -13.241 -7.673 -5.797 1.00 1.99 O ATOM 0 H SER A 73 -11.242 -6.096 -6.677 1.00 1.18 H new ATOM 0 HA SER A 73 -10.774 -8.119 -4.601 1.00 1.14 H new ATOM 0 HB2 SER A 73 -12.079 -8.370 -7.349 1.00 1.53 H new ATOM 0 HB3 SER A 73 -12.241 -9.465 -5.990 1.00 1.53 H new ATOM 0 HG SER A 73 -14.062 -8.036 -6.190 1.00 1.99 H new ATOM 1145 N GLY A 74 -9.086 -7.821 -7.398 1.00 0.97 N ATOM 1146 CA GLY A 74 -8.121 -8.412 -8.320 1.00 1.03 C ATOM 1147 C GLY A 74 -6.749 -7.750 -8.217 1.00 0.85 C ATOM 1148 O GLY A 74 -5.898 -7.943 -9.084 1.00 1.26 O ATOM 0 H GLY A 74 -9.326 -6.856 -7.626 1.00 0.97 H new ATOM 0 HA2 GLY A 74 -8.026 -9.477 -8.111 1.00 1.03 H new ATOM 0 HA3 GLY A 74 -8.492 -8.320 -9.341 1.00 1.03 H new ATOM 1152 N ALA A 75 -6.517 -6.985 -7.147 1.00 0.64 N ATOM 1153 CA ALA A 75 -5.279 -6.250 -6.981 1.00 0.68 C ATOM 1154 C ALA A 75 -4.124 -7.189 -6.660 1.00 1.02 C ATOM 1155 O ALA A 75 -4.329 -8.279 -6.129 1.00 2.07 O ATOM 1156 CB ALA A 75 -5.432 -5.224 -5.873 1.00 0.69 C ATOM 0 H ALA A 75 -7.181 -6.864 -6.382 1.00 0.64 H new ATOM 0 HA ALA A 75 -5.056 -5.742 -7.919 1.00 0.68 H new ATOM 0 HB1 ALA A 75 -4.498 -4.675 -5.754 1.00 0.69 H new ATOM 0 HB2 ALA A 75 -6.231 -4.528 -6.129 1.00 0.69 H new ATOM 0 HB3 ALA A 75 -5.677 -5.730 -4.939 1.00 0.69 H new ATOM 1162 N ARG A 76 -2.900 -6.738 -6.934 1.00 0.48 N ATOM 1163 CA ARG A 76 -1.737 -7.596 -7.114 1.00 0.53 C ATOM 1164 C ARG A 76 -1.178 -8.236 -5.831 1.00 0.50 C ATOM 1165 O ARG A 76 -0.040 -8.700 -5.823 1.00 0.78 O ATOM 1166 CB ARG A 76 -0.637 -6.779 -7.804 1.00 0.72 C ATOM 1167 CG ARG A 76 0.283 -7.730 -8.570 1.00 1.02 C ATOM 1168 CD ARG A 76 -0.042 -7.736 -10.074 1.00 0.90 C ATOM 1169 NE ARG A 76 0.882 -6.870 -10.815 1.00 1.25 N ATOM 1170 CZ ARG A 76 0.724 -5.609 -11.240 1.00 2.32 C ATOM 1171 NH1 ARG A 76 -0.450 -4.974 -11.236 1.00 3.43 N ATOM 1172 NH2 ARG A 76 1.793 -4.966 -11.693 1.00 2.99 N ATOM 0 H ARG A 76 -2.689 -5.746 -7.038 1.00 0.48 H new ATOM 0 HA ARG A 76 -2.073 -8.438 -7.719 1.00 0.53 H new ATOM 0 HB2 ARG A 76 -1.079 -6.052 -8.486 1.00 0.72 H new ATOM 0 HB3 ARG A 76 -0.066 -6.217 -7.065 1.00 0.72 H new ATOM 0 HG2 ARG A 76 1.321 -7.432 -8.422 1.00 1.02 H new ATOM 0 HG3 ARG A 76 0.180 -8.739 -8.170 1.00 1.02 H new ATOM 0 HD2 ARG A 76 0.020 -8.754 -10.459 1.00 0.90 H new ATOM 0 HD3 ARG A 76 -1.067 -7.398 -10.230 1.00 0.90 H new ATOM 0 HE ARG A 76 1.782 -7.292 -11.041 1.00 1.25 H new ATOM 0 HH11 ARG A 76 -1.286 -5.450 -10.897 1.00 3.43 H new ATOM 0 HH12 ARG A 76 -0.511 -4.013 -11.572 1.00 3.43 H new ATOM 0 HH21 ARG A 76 2.700 -5.433 -11.710 1.00 2.99 H new ATOM 0 HH22 ARG A 76 1.708 -4.005 -12.024 1.00 2.99 H new ATOM 1186 N GLU A 77 -1.949 -8.293 -4.749 1.00 0.60 N ATOM 1187 CA GLU A 77 -1.449 -8.749 -3.461 1.00 0.59 C ATOM 1188 C GLU A 77 -0.906 -10.175 -3.538 1.00 0.46 C ATOM 1189 O GLU A 77 0.050 -10.552 -2.868 1.00 0.46 O ATOM 1190 CB GLU A 77 -2.559 -8.628 -2.423 1.00 0.73 C ATOM 1191 CG GLU A 77 -2.994 -7.168 -2.282 1.00 1.21 C ATOM 1192 CD GLU A 77 -1.871 -6.306 -1.754 1.00 2.54 C ATOM 1193 OE1 GLU A 77 -1.289 -6.702 -0.722 1.00 3.96 O ATOM 1194 OE2 GLU A 77 -1.737 -5.190 -2.295 1.00 3.14 O ATOM 0 H GLU A 77 -2.933 -8.025 -4.742 1.00 0.60 H new ATOM 0 HA GLU A 77 -0.612 -8.117 -3.163 1.00 0.59 H new ATOM 0 HB2 GLU A 77 -3.410 -9.242 -2.717 1.00 0.73 H new ATOM 0 HB3 GLU A 77 -2.211 -9.006 -1.462 1.00 0.73 H new ATOM 0 HG2 GLU A 77 -3.321 -6.789 -3.250 1.00 1.21 H new ATOM 0 HG3 GLU A 77 -3.850 -7.105 -1.610 1.00 1.21 H new ATOM 1201 N LEU A 78 -1.551 -10.971 -4.383 1.00 0.45 N ATOM 1202 CA LEU A 78 -1.149 -12.334 -4.677 1.00 0.43 C ATOM 1203 C LEU A 78 0.309 -12.411 -5.158 1.00 0.39 C ATOM 1204 O LEU A 78 0.987 -13.395 -4.867 1.00 0.51 O ATOM 1205 CB LEU A 78 -2.086 -12.997 -5.704 1.00 0.57 C ATOM 1206 CG LEU A 78 -3.593 -12.683 -5.609 1.00 0.71 C ATOM 1207 CD1 LEU A 78 -4.134 -12.541 -4.177 1.00 0.76 C ATOM 1208 CD2 LEU A 78 -3.959 -11.484 -6.497 1.00 0.75 C ATOM 0 H LEU A 78 -2.385 -10.677 -4.891 1.00 0.45 H new ATOM 0 HA LEU A 78 -1.225 -12.887 -3.741 1.00 0.43 H new ATOM 0 HB2 LEU A 78 -1.747 -12.712 -6.700 1.00 0.57 H new ATOM 0 HB3 LEU A 78 -1.963 -14.077 -5.622 1.00 0.57 H new ATOM 0 HG LEU A 78 -4.103 -13.566 -5.994 1.00 0.71 H new ATOM 0 HD11 LEU A 78 -5.201 -12.321 -4.211 1.00 0.76 H new ATOM 0 HD12 LEU A 78 -3.973 -13.472 -3.633 1.00 0.76 H new ATOM 0 HD13 LEU A 78 -3.612 -11.730 -3.670 1.00 0.76 H new ATOM 0 HD21 LEU A 78 -5.027 -11.282 -6.413 1.00 0.75 H new ATOM 0 HD22 LEU A 78 -3.397 -10.607 -6.174 1.00 0.75 H new ATOM 0 HD23 LEU A 78 -3.713 -11.711 -7.534 1.00 0.75 H new ATOM 1220 N THR A 79 0.800 -11.418 -5.916 1.00 0.42 N ATOM 1221 CA THR A 79 2.170 -11.460 -6.411 1.00 0.44 C ATOM 1222 C THR A 79 3.132 -11.107 -5.290 1.00 0.35 C ATOM 1223 O THR A 79 3.301 -9.938 -4.934 1.00 0.33 O ATOM 1224 CB THR A 79 2.410 -10.543 -7.608 1.00 0.59 C ATOM 1225 OG1 THR A 79 1.496 -10.850 -8.627 1.00 0.85 O ATOM 1226 CG2 THR A 79 3.810 -10.801 -8.187 1.00 0.78 C ATOM 0 H THR A 79 0.271 -10.591 -6.192 1.00 0.42 H new ATOM 0 HA THR A 79 2.347 -12.478 -6.758 1.00 0.44 H new ATOM 0 HB THR A 79 2.303 -9.511 -7.274 1.00 0.59 H new ATOM 0 HG1 THR A 79 1.650 -10.259 -9.394 1.00 0.85 H new ATOM 0 HG21 THR A 79 3.977 -10.145 -9.041 1.00 0.78 H new ATOM 0 HG22 THR A 79 4.562 -10.602 -7.423 1.00 0.78 H new ATOM 0 HG23 THR A 79 3.885 -11.840 -8.508 1.00 0.78 H new ATOM 1234 N GLU A 80 3.815 -12.134 -4.793 1.00 0.41 N ATOM 1235 CA GLU A 80 4.724 -11.994 -3.671 1.00 0.43 C ATOM 1236 C GLU A 80 5.789 -10.936 -3.960 1.00 0.43 C ATOM 1237 O GLU A 80 6.108 -10.140 -3.088 1.00 0.47 O ATOM 1238 CB GLU A 80 5.319 -13.342 -3.252 1.00 0.52 C ATOM 1239 CG GLU A 80 6.198 -14.029 -4.307 1.00 1.71 C ATOM 1240 CD GLU A 80 6.934 -15.204 -3.683 1.00 1.94 C ATOM 1241 OE1 GLU A 80 7.799 -14.913 -2.824 1.00 3.17 O ATOM 1242 OE2 GLU A 80 6.611 -16.353 -4.044 1.00 2.40 O ATOM 0 H GLU A 80 3.751 -13.084 -5.160 1.00 0.41 H new ATOM 0 HA GLU A 80 4.153 -11.640 -2.813 1.00 0.43 H new ATOM 0 HB2 GLU A 80 5.912 -13.194 -2.350 1.00 0.52 H new ATOM 0 HB3 GLU A 80 4.503 -14.015 -2.990 1.00 0.52 H new ATOM 0 HG2 GLU A 80 5.582 -14.374 -5.137 1.00 1.71 H new ATOM 0 HG3 GLU A 80 6.914 -13.316 -4.716 1.00 1.71 H new ATOM 1249 N SER A 81 6.327 -10.910 -5.182 1.00 0.44 N ATOM 1250 CA SER A 81 7.375 -9.976 -5.570 1.00 0.50 C ATOM 1251 C SER A 81 6.903 -8.521 -5.484 1.00 0.43 C ATOM 1252 O SER A 81 7.544 -7.711 -4.816 1.00 0.45 O ATOM 1253 CB SER A 81 7.911 -10.343 -6.955 1.00 0.63 C ATOM 1254 OG SER A 81 8.579 -11.588 -6.873 1.00 1.49 O ATOM 0 H SER A 81 6.043 -11.542 -5.931 1.00 0.44 H new ATOM 0 HA SER A 81 8.199 -10.059 -4.861 1.00 0.50 H new ATOM 0 HB2 SER A 81 7.093 -10.401 -7.673 1.00 0.63 H new ATOM 0 HB3 SER A 81 8.594 -9.572 -7.312 1.00 0.63 H new ATOM 0 HG SER A 81 8.925 -11.833 -7.757 1.00 1.49 H new ATOM 1260 N GLU A 82 5.783 -8.168 -6.123 1.00 0.44 N ATOM 1261 CA GLU A 82 5.247 -6.816 -6.021 1.00 0.45 C ATOM 1262 C GLU A 82 4.955 -6.471 -4.568 1.00 0.42 C ATOM 1263 O GLU A 82 5.356 -5.408 -4.088 1.00 0.51 O ATOM 1264 CB GLU A 82 3.993 -6.650 -6.879 1.00 0.50 C ATOM 1265 CG GLU A 82 4.332 -6.964 -8.339 1.00 0.86 C ATOM 1266 CD GLU A 82 3.420 -6.281 -9.337 1.00 1.62 C ATOM 1267 OE1 GLU A 82 2.584 -5.465 -8.910 1.00 3.17 O ATOM 1268 OE2 GLU A 82 3.516 -6.602 -10.544 1.00 1.94 O ATOM 0 H GLU A 82 5.237 -8.798 -6.711 1.00 0.44 H new ATOM 0 HA GLU A 82 6.000 -6.124 -6.399 1.00 0.45 H new ATOM 0 HB2 GLU A 82 3.206 -7.316 -6.525 1.00 0.50 H new ATOM 0 HB3 GLU A 82 3.612 -5.632 -6.793 1.00 0.50 H new ATOM 0 HG2 GLU A 82 5.361 -6.664 -8.536 1.00 0.86 H new ATOM 0 HG3 GLU A 82 4.280 -8.042 -8.491 1.00 0.86 H new ATOM 1275 N THR A 83 4.298 -7.395 -3.862 1.00 0.35 N ATOM 1276 CA THR A 83 4.052 -7.228 -2.442 1.00 0.39 C ATOM 1277 C THR A 83 5.361 -6.858 -1.728 1.00 0.42 C ATOM 1278 O THR A 83 5.434 -5.882 -0.983 1.00 0.47 O ATOM 1279 CB THR A 83 3.418 -8.504 -1.856 1.00 0.43 C ATOM 1280 OG1 THR A 83 2.028 -8.325 -1.855 1.00 0.55 O ATOM 1281 CG2 THR A 83 3.850 -8.851 -0.425 1.00 0.52 C ATOM 0 H THR A 83 3.931 -8.261 -4.256 1.00 0.35 H new ATOM 0 HA THR A 83 3.345 -6.413 -2.287 1.00 0.39 H new ATOM 0 HB THR A 83 3.756 -9.330 -2.482 1.00 0.43 H new ATOM 0 HG1 THR A 83 1.690 -8.391 -0.937 1.00 0.55 H new ATOM 0 HG21 THR A 83 3.349 -9.764 -0.105 1.00 0.52 H new ATOM 0 HG22 THR A 83 4.929 -9.000 -0.397 1.00 0.52 H new ATOM 0 HG23 THR A 83 3.579 -8.035 0.245 1.00 0.52 H new ATOM 1289 N LYS A 84 6.406 -7.652 -1.976 1.00 0.39 N ATOM 1290 CA LYS A 84 7.716 -7.515 -1.370 1.00 0.40 C ATOM 1291 C LYS A 84 8.409 -6.230 -1.814 1.00 0.39 C ATOM 1292 O LYS A 84 9.201 -5.695 -1.056 1.00 0.42 O ATOM 1293 CB LYS A 84 8.571 -8.761 -1.647 1.00 0.46 C ATOM 1294 CG LYS A 84 8.110 -9.922 -0.755 1.00 1.71 C ATOM 1295 CD LYS A 84 8.670 -11.272 -1.219 1.00 2.43 C ATOM 1296 CE LYS A 84 8.196 -12.370 -0.252 1.00 3.89 C ATOM 1297 NZ LYS A 84 8.628 -13.717 -0.674 1.00 5.02 N ATOM 0 H LYS A 84 6.352 -8.434 -2.629 1.00 0.39 H new ATOM 0 HA LYS A 84 7.586 -7.438 -0.291 1.00 0.40 H new ATOM 0 HB2 LYS A 84 8.489 -9.043 -2.697 1.00 0.46 H new ATOM 0 HB3 LYS A 84 9.622 -8.541 -1.458 1.00 0.46 H new ATOM 0 HG2 LYS A 84 8.424 -9.735 0.272 1.00 1.71 H new ATOM 0 HG3 LYS A 84 7.021 -9.965 -0.753 1.00 1.71 H new ATOM 0 HD2 LYS A 84 8.333 -11.491 -2.232 1.00 2.43 H new ATOM 0 HD3 LYS A 84 9.759 -11.239 -1.246 1.00 2.43 H new ATOM 0 HE2 LYS A 84 8.583 -12.163 0.746 1.00 3.89 H new ATOM 0 HE3 LYS A 84 7.108 -12.345 -0.183 1.00 3.89 H new ATOM 0 HZ1 LYS A 84 8.497 -14.386 0.112 1.00 5.02 H new ATOM 0 HZ2 LYS A 84 8.059 -14.025 -1.489 1.00 5.02 H new ATOM 0 HZ3 LYS A 84 9.632 -13.691 -0.943 1.00 5.02 H new ATOM 1311 N SER A 85 8.123 -5.707 -3.005 1.00 0.39 N ATOM 1312 CA SER A 85 8.592 -4.394 -3.428 1.00 0.41 C ATOM 1313 C SER A 85 8.043 -3.324 -2.475 1.00 0.39 C ATOM 1314 O SER A 85 8.788 -2.478 -1.978 1.00 0.45 O ATOM 1315 CB SER A 85 8.193 -4.135 -4.888 1.00 0.46 C ATOM 1316 OG SER A 85 9.038 -3.161 -5.465 1.00 1.71 O ATOM 0 H SER A 85 7.557 -6.186 -3.705 1.00 0.39 H new ATOM 0 HA SER A 85 9.680 -4.353 -3.382 1.00 0.41 H new ATOM 0 HB2 SER A 85 8.254 -5.062 -5.458 1.00 0.46 H new ATOM 0 HB3 SER A 85 7.157 -3.800 -4.934 1.00 0.46 H new ATOM 0 HG SER A 85 8.773 -3.008 -6.396 1.00 1.71 H new ATOM 1322 N LEU A 86 6.741 -3.382 -2.175 1.00 0.35 N ATOM 1323 CA LEU A 86 6.155 -2.477 -1.190 1.00 0.35 C ATOM 1324 C LEU A 86 6.760 -2.726 0.187 1.00 0.33 C ATOM 1325 O LEU A 86 7.251 -1.779 0.808 1.00 0.40 O ATOM 1326 CB LEU A 86 4.619 -2.528 -1.210 1.00 0.41 C ATOM 1327 CG LEU A 86 4.011 -1.419 -2.090 1.00 1.24 C ATOM 1328 CD1 LEU A 86 4.124 -0.039 -1.420 1.00 2.38 C ATOM 1329 CD2 LEU A 86 4.615 -1.411 -3.505 1.00 3.24 C ATOM 0 H LEU A 86 6.083 -4.038 -2.596 1.00 0.35 H new ATOM 0 HA LEU A 86 6.408 -1.452 -1.461 1.00 0.35 H new ATOM 0 HB2 LEU A 86 4.294 -3.501 -1.579 1.00 0.41 H new ATOM 0 HB3 LEU A 86 4.241 -2.430 -0.192 1.00 0.41 H new ATOM 0 HG LEU A 86 2.950 -1.644 -2.197 1.00 1.24 H new ATOM 0 HD11 LEU A 86 3.685 0.718 -2.070 1.00 2.38 H new ATOM 0 HD12 LEU A 86 3.593 -0.052 -0.468 1.00 2.38 H new ATOM 0 HD13 LEU A 86 5.174 0.196 -1.247 1.00 2.38 H new ATOM 0 HD21 LEU A 86 4.158 -0.614 -4.091 1.00 3.24 H new ATOM 0 HD22 LEU A 86 5.690 -1.243 -3.441 1.00 3.24 H new ATOM 0 HD23 LEU A 86 4.425 -2.370 -3.987 1.00 3.24 H new ATOM 1341 N MET A 87 6.771 -3.986 0.640 1.00 0.29 N ATOM 1342 CA MET A 87 7.451 -4.336 1.883 1.00 0.31 C ATOM 1343 C MET A 87 8.849 -3.703 1.965 1.00 0.34 C ATOM 1344 O MET A 87 9.196 -3.081 2.960 1.00 0.46 O ATOM 1345 CB MET A 87 7.569 -5.858 2.034 1.00 0.44 C ATOM 1346 CG MET A 87 7.923 -6.261 3.474 1.00 0.72 C ATOM 1347 SD MET A 87 8.535 -7.953 3.661 1.00 1.66 S ATOM 1348 CE MET A 87 7.154 -8.852 2.931 1.00 3.09 C ATOM 0 H MET A 87 6.320 -4.769 0.167 1.00 0.29 H new ATOM 0 HA MET A 87 6.845 -3.940 2.698 1.00 0.31 H new ATOM 0 HB2 MET A 87 6.628 -6.326 1.746 1.00 0.44 H new ATOM 0 HB3 MET A 87 8.333 -6.233 1.353 1.00 0.44 H new ATOM 0 HG2 MET A 87 8.678 -5.573 3.854 1.00 0.72 H new ATOM 0 HG3 MET A 87 7.038 -6.139 4.098 1.00 0.72 H new ATOM 0 HE1 MET A 87 7.256 -9.915 3.149 1.00 3.09 H new ATOM 0 HE2 MET A 87 6.218 -8.484 3.350 1.00 3.09 H new ATOM 0 HE3 MET A 87 7.152 -8.702 1.851 1.00 3.09 H new ATOM 1358 N ALA A 88 9.649 -3.888 0.916 1.00 0.35 N ATOM 1359 CA ALA A 88 11.068 -3.578 0.863 1.00 0.40 C ATOM 1360 C ALA A 88 11.347 -2.127 1.242 1.00 0.38 C ATOM 1361 O ALA A 88 12.269 -1.863 2.008 1.00 0.48 O ATOM 1362 CB ALA A 88 11.611 -3.903 -0.535 1.00 0.45 C ATOM 0 H ALA A 88 9.303 -4.278 0.039 1.00 0.35 H new ATOM 0 HA ALA A 88 11.584 -4.196 1.598 1.00 0.40 H new ATOM 0 HB1 ALA A 88 12.675 -3.671 -0.575 1.00 0.45 H new ATOM 0 HB2 ALA A 88 11.463 -4.962 -0.746 1.00 0.45 H new ATOM 0 HB3 ALA A 88 11.081 -3.307 -1.279 1.00 0.45 H new ATOM 1368 N ALA A 89 10.577 -1.186 0.688 1.00 0.33 N ATOM 1369 CA ALA A 89 10.764 0.229 0.985 1.00 0.35 C ATOM 1370 C ALA A 89 9.992 0.649 2.234 1.00 0.33 C ATOM 1371 O ALA A 89 10.500 1.434 3.027 1.00 0.42 O ATOM 1372 CB ALA A 89 10.351 1.074 -0.215 1.00 0.45 C ATOM 0 H ALA A 89 9.820 -1.382 0.033 1.00 0.33 H new ATOM 0 HA ALA A 89 11.822 0.394 1.187 1.00 0.35 H new ATOM 0 HB1 ALA A 89 10.494 2.129 0.017 1.00 0.45 H new ATOM 0 HB2 ALA A 89 10.962 0.805 -1.077 1.00 0.45 H new ATOM 0 HB3 ALA A 89 9.301 0.892 -0.444 1.00 0.45 H new ATOM 1378 N ALA A 90 8.755 0.167 2.402 1.00 0.27 N ATOM 1379 CA ALA A 90 7.952 0.514 3.569 1.00 0.28 C ATOM 1380 C ALA A 90 8.645 0.101 4.859 1.00 0.26 C ATOM 1381 O ALA A 90 8.564 0.818 5.852 1.00 0.31 O ATOM 1382 CB ALA A 90 6.597 -0.178 3.484 1.00 0.30 C ATOM 0 H ALA A 90 8.294 -0.462 1.744 1.00 0.27 H new ATOM 0 HA ALA A 90 7.821 1.596 3.578 1.00 0.28 H new ATOM 0 HB1 ALA A 90 6.000 0.083 4.357 1.00 0.30 H new ATOM 0 HB2 ALA A 90 6.080 0.145 2.581 1.00 0.30 H new ATOM 0 HB3 ALA A 90 6.741 -1.258 3.453 1.00 0.30 H new ATOM 1388 N ASP A 91 9.291 -1.067 4.859 1.00 0.23 N ATOM 1389 CA ASP A 91 10.079 -1.474 5.997 1.00 0.26 C ATOM 1390 C ASP A 91 11.275 -0.536 6.108 1.00 0.37 C ATOM 1391 O ASP A 91 12.167 -0.577 5.264 1.00 1.04 O ATOM 1392 CB ASP A 91 10.556 -2.925 5.879 1.00 0.38 C ATOM 1393 CG ASP A 91 11.519 -3.227 7.011 1.00 0.77 C ATOM 1394 OD1 ASP A 91 11.379 -2.589 8.078 1.00 1.59 O ATOM 1395 OD2 ASP A 91 12.395 -4.093 6.842 1.00 0.82 O ATOM 0 H ASP A 91 9.278 -1.733 4.087 1.00 0.23 H new ATOM 0 HA ASP A 91 9.459 -1.418 6.891 1.00 0.26 H new ATOM 0 HB2 ASP A 91 9.705 -3.605 5.919 1.00 0.38 H new ATOM 0 HB3 ASP A 91 11.045 -3.083 4.918 1.00 0.38 H new ATOM 1400 N ASN A 92 11.313 0.278 7.161 1.00 0.87 N ATOM 1401 CA ASN A 92 12.411 1.212 7.356 1.00 1.00 C ATOM 1402 C ASN A 92 13.503 0.596 8.237 1.00 0.82 C ATOM 1403 O ASN A 92 14.464 1.291 8.560 1.00 1.07 O ATOM 1404 CB ASN A 92 11.882 2.548 7.900 1.00 1.42 C ATOM 1405 CG ASN A 92 10.896 3.198 6.928 1.00 1.41 C ATOM 1406 OD1 ASN A 92 11.237 3.478 5.781 1.00 2.65 O ATOM 1407 ND2 ASN A 92 9.671 3.451 7.375 1.00 2.14 N ATOM 0 H ASN A 92 10.598 0.307 7.887 1.00 0.87 H new ATOM 0 HA ASN A 92 12.879 1.423 6.394 1.00 1.00 H new ATOM 0 HB2 ASN A 92 11.393 2.383 8.860 1.00 1.42 H new ATOM 0 HB3 ASN A 92 12.717 3.225 8.080 1.00 1.42 H new ATOM 0 HD21 ASN A 92 8.984 3.889 6.761 1.00 2.14 H new ATOM 0 HD22 ASN A 92 9.417 3.207 8.332 1.00 2.14 H new ATOM 1414 N ASP A 93 13.384 -0.689 8.617 1.00 0.73 N ATOM 1415 CA ASP A 93 14.363 -1.351 9.477 1.00 0.64 C ATOM 1416 C ASP A 93 15.325 -2.204 8.654 1.00 0.64 C ATOM 1417 O ASP A 93 16.540 -2.081 8.793 1.00 0.79 O ATOM 1418 CB ASP A 93 13.678 -2.266 10.504 1.00 0.67 C ATOM 1419 CG ASP A 93 12.751 -1.538 11.457 1.00 0.76 C ATOM 1420 OD1 ASP A 93 13.249 -0.706 12.241 1.00 1.21 O ATOM 1421 OD2 ASP A 93 11.542 -1.861 11.387 1.00 0.67 O ATOM 0 H ASP A 93 12.609 -1.289 8.335 1.00 0.73 H new ATOM 0 HA ASP A 93 14.909 -0.562 9.994 1.00 0.64 H new ATOM 0 HB2 ASP A 93 13.110 -3.030 9.973 1.00 0.67 H new ATOM 0 HB3 ASP A 93 14.444 -2.783 11.082 1.00 0.67 H new ATOM 1426 N GLY A 94 14.777 -3.138 7.869 1.00 0.58 N ATOM 1427 CA GLY A 94 15.485 -4.321 7.414 1.00 0.66 C ATOM 1428 C GLY A 94 15.085 -5.503 8.300 1.00 0.65 C ATOM 1429 O GLY A 94 15.944 -6.216 8.818 1.00 0.80 O ATOM 0 H GLY A 94 13.816 -3.085 7.532 1.00 0.58 H new ATOM 0 HA2 GLY A 94 15.241 -4.530 6.372 1.00 0.66 H new ATOM 0 HA3 GLY A 94 16.562 -4.159 7.463 1.00 0.66 H new ATOM 1433 N ASP A 95 13.774 -5.704 8.469 1.00 0.57 N ATOM 1434 CA ASP A 95 13.160 -6.798 9.209 1.00 0.62 C ATOM 1435 C ASP A 95 11.996 -7.396 8.416 1.00 0.59 C ATOM 1436 O ASP A 95 11.934 -8.610 8.232 1.00 0.65 O ATOM 1437 CB ASP A 95 12.782 -6.379 10.640 1.00 0.62 C ATOM 1438 CG ASP A 95 11.621 -5.407 10.831 1.00 0.73 C ATOM 1439 OD1 ASP A 95 11.158 -4.725 9.889 1.00 1.92 O ATOM 1440 OD2 ASP A 95 11.140 -5.386 11.980 1.00 1.68 O ATOM 0 H ASP A 95 13.081 -5.071 8.070 1.00 0.57 H new ATOM 0 HA ASP A 95 13.895 -7.593 9.330 1.00 0.62 H new ATOM 0 HB2 ASP A 95 12.552 -7.285 11.201 1.00 0.62 H new ATOM 0 HB3 ASP A 95 13.665 -5.935 11.100 1.00 0.62 H new ATOM 1445 N GLY A 96 11.080 -6.552 7.943 1.00 0.56 N ATOM 1446 CA GLY A 96 10.022 -6.912 7.009 1.00 0.63 C ATOM 1447 C GLY A 96 8.663 -6.493 7.548 1.00 0.66 C ATOM 1448 O GLY A 96 7.873 -5.890 6.830 1.00 0.83 O ATOM 0 H GLY A 96 11.056 -5.568 8.210 1.00 0.56 H new ATOM 0 HA2 GLY A 96 10.201 -6.432 6.047 1.00 0.63 H new ATOM 0 HA3 GLY A 96 10.034 -7.988 6.836 1.00 0.63 H new ATOM 1452 N LYS A 97 8.389 -6.795 8.822 1.00 0.64 N ATOM 1453 CA LYS A 97 7.206 -6.289 9.506 1.00 0.67 C ATOM 1454 C LYS A 97 7.205 -4.754 9.463 1.00 0.62 C ATOM 1455 O LYS A 97 8.252 -4.116 9.657 1.00 0.87 O ATOM 1456 CB LYS A 97 7.126 -6.852 10.936 1.00 0.71 C ATOM 1457 CG LYS A 97 8.265 -6.358 11.836 1.00 1.88 C ATOM 1458 CD LYS A 97 8.291 -7.076 13.194 1.00 1.95 C ATOM 1459 CE LYS A 97 9.381 -8.158 13.229 1.00 3.14 C ATOM 1460 NZ LYS A 97 10.726 -7.570 13.408 1.00 4.36 N ATOM 0 H LYS A 97 8.980 -7.393 9.400 1.00 0.64 H new ATOM 0 HA LYS A 97 6.306 -6.629 8.994 1.00 0.67 H new ATOM 0 HB2 LYS A 97 6.171 -6.570 11.379 1.00 0.71 H new ATOM 0 HB3 LYS A 97 7.149 -7.941 10.894 1.00 0.71 H new ATOM 0 HG2 LYS A 97 9.218 -6.511 11.329 1.00 1.88 H new ATOM 0 HG3 LYS A 97 8.158 -5.285 11.997 1.00 1.88 H new ATOM 0 HD2 LYS A 97 8.469 -6.351 13.988 1.00 1.95 H new ATOM 0 HD3 LYS A 97 7.319 -7.529 13.388 1.00 1.95 H new ATOM 0 HE2 LYS A 97 9.177 -8.855 14.042 1.00 3.14 H new ATOM 0 HE3 LYS A 97 9.355 -8.732 12.303 1.00 3.14 H new ATOM 0 HZ1 LYS A 97 11.440 -8.208 13.003 1.00 4.36 H new ATOM 0 HZ2 LYS A 97 10.770 -6.650 12.925 1.00 4.36 H new ATOM 0 HZ3 LYS A 97 10.915 -7.438 14.422 1.00 4.36 H new ATOM 1474 N ILE A 98 6.039 -4.171 9.174 1.00 0.43 N ATOM 1475 CA ILE A 98 5.868 -2.748 8.923 1.00 0.38 C ATOM 1476 C ILE A 98 4.798 -2.213 9.864 1.00 0.41 C ATOM 1477 O ILE A 98 3.633 -2.604 9.779 1.00 0.67 O ATOM 1478 CB ILE A 98 5.511 -2.557 7.444 1.00 0.40 C ATOM 1479 CG1 ILE A 98 6.765 -2.805 6.600 1.00 0.42 C ATOM 1480 CG2 ILE A 98 5.014 -1.146 7.121 1.00 0.47 C ATOM 1481 CD1 ILE A 98 6.418 -3.492 5.287 1.00 0.48 C ATOM 0 H ILE A 98 5.167 -4.695 9.108 1.00 0.43 H new ATOM 0 HA ILE A 98 6.782 -2.187 9.117 1.00 0.38 H new ATOM 0 HB ILE A 98 4.708 -3.259 7.220 1.00 0.40 H new ATOM 0 HG12 ILE A 98 7.263 -1.857 6.397 1.00 0.42 H new ATOM 0 HG13 ILE A 98 7.468 -3.421 7.161 1.00 0.42 H new ATOM 0 HG21 ILE A 98 4.779 -1.077 6.059 1.00 0.47 H new ATOM 0 HG22 ILE A 98 4.119 -0.933 7.706 1.00 0.47 H new ATOM 0 HG23 ILE A 98 5.790 -0.421 7.368 1.00 0.47 H new ATOM 0 HD11 ILE A 98 7.328 -3.655 4.710 1.00 0.48 H new ATOM 0 HD12 ILE A 98 5.942 -4.451 5.493 1.00 0.48 H new ATOM 0 HD13 ILE A 98 5.734 -2.863 4.717 1.00 0.48 H new ATOM 1493 N GLY A 99 5.190 -1.328 10.780 1.00 0.54 N ATOM 1494 CA GLY A 99 4.226 -0.641 11.618 1.00 0.56 C ATOM 1495 C GLY A 99 3.438 0.376 10.789 1.00 0.55 C ATOM 1496 O GLY A 99 3.883 0.815 9.724 1.00 0.48 O ATOM 0 H GLY A 99 6.163 -1.076 10.955 1.00 0.54 H new ATOM 0 HA2 GLY A 99 3.543 -1.363 12.067 1.00 0.56 H new ATOM 0 HA3 GLY A 99 4.739 -0.135 12.436 1.00 0.56 H new ATOM 1500 N ALA A 100 2.268 0.788 11.288 1.00 0.73 N ATOM 1501 CA ALA A 100 1.522 1.878 10.672 1.00 0.80 C ATOM 1502 C ALA A 100 2.395 3.130 10.633 1.00 0.71 C ATOM 1503 O ALA A 100 2.353 3.868 9.654 1.00 0.68 O ATOM 1504 CB ALA A 100 0.216 2.133 11.423 1.00 1.08 C ATOM 0 H ALA A 100 1.823 0.383 12.112 1.00 0.73 H new ATOM 0 HA ALA A 100 1.259 1.603 9.651 1.00 0.80 H new ATOM 0 HB1 ALA A 100 -0.324 2.951 10.946 1.00 1.08 H new ATOM 0 HB2 ALA A 100 -0.397 1.232 11.403 1.00 1.08 H new ATOM 0 HB3 ALA A 100 0.437 2.399 12.457 1.00 1.08 H new ATOM 1510 N GLU A 101 3.202 3.337 11.682 1.00 0.74 N ATOM 1511 CA GLU A 101 4.292 4.298 11.691 1.00 0.76 C ATOM 1512 C GLU A 101 5.162 4.186 10.433 1.00 0.63 C ATOM 1513 O GLU A 101 5.077 5.060 9.578 1.00 0.72 O ATOM 1514 CB GLU A 101 5.076 4.205 13.004 1.00 0.88 C ATOM 1515 CG GLU A 101 5.518 2.777 13.343 1.00 3.04 C ATOM 1516 CD GLU A 101 5.108 2.386 14.753 1.00 3.44 C ATOM 1517 OE1 GLU A 101 3.876 2.325 14.957 1.00 4.02 O ATOM 1518 OE2 GLU A 101 6.014 2.163 15.582 1.00 3.92 O ATOM 0 H GLU A 101 3.107 2.827 12.560 1.00 0.74 H new ATOM 0 HA GLU A 101 3.876 5.305 11.652 1.00 0.76 H new ATOM 0 HB2 GLU A 101 5.956 4.845 12.941 1.00 0.88 H new ATOM 0 HB3 GLU A 101 4.459 4.590 13.816 1.00 0.88 H new ATOM 0 HG2 GLU A 101 5.079 2.080 12.629 1.00 3.04 H new ATOM 0 HG3 GLU A 101 6.600 2.697 13.242 1.00 3.04 H new ATOM 1525 N GLU A 102 5.930 3.098 10.283 1.00 0.46 N ATOM 1526 CA GLU A 102 6.791 2.848 9.131 1.00 0.33 C ATOM 1527 C GLU A 102 6.085 3.175 7.804 1.00 0.31 C ATOM 1528 O GLU A 102 6.643 3.833 6.923 1.00 0.33 O ATOM 1529 CB GLU A 102 7.262 1.383 9.128 1.00 0.28 C ATOM 1530 CG GLU A 102 8.144 0.981 10.318 1.00 0.48 C ATOM 1531 CD GLU A 102 8.774 -0.387 10.096 1.00 0.44 C ATOM 1532 OE1 GLU A 102 9.669 -0.540 9.238 1.00 2.15 O ATOM 1533 OE2 GLU A 102 8.399 -1.386 10.749 1.00 1.75 O ATOM 0 H GLU A 102 5.967 2.353 10.979 1.00 0.46 H new ATOM 0 HA GLU A 102 7.654 3.508 9.219 1.00 0.33 H new ATOM 0 HB2 GLU A 102 6.385 0.736 9.110 1.00 0.28 H new ATOM 0 HB3 GLU A 102 7.814 1.197 8.207 1.00 0.28 H new ATOM 0 HG2 GLU A 102 8.926 1.726 10.463 1.00 0.48 H new ATOM 0 HG3 GLU A 102 7.546 0.966 11.229 1.00 0.48 H new ATOM 1540 N PHE A 103 4.841 2.711 7.660 1.00 0.32 N ATOM 1541 CA PHE A 103 4.082 2.933 6.436 1.00 0.37 C ATOM 1542 C PHE A 103 3.731 4.421 6.240 1.00 0.41 C ATOM 1543 O PHE A 103 3.952 4.981 5.165 1.00 0.42 O ATOM 1544 CB PHE A 103 2.837 2.026 6.421 1.00 0.57 C ATOM 1545 CG PHE A 103 2.848 0.873 5.424 1.00 1.53 C ATOM 1546 CD1 PHE A 103 3.300 1.058 4.100 1.00 2.15 C ATOM 1547 CD2 PHE A 103 2.255 -0.352 5.779 1.00 2.86 C ATOM 1548 CE1 PHE A 103 3.194 0.014 3.163 1.00 2.88 C ATOM 1549 CE2 PHE A 103 2.182 -1.407 4.854 1.00 3.74 C ATOM 1550 CZ PHE A 103 2.641 -1.222 3.541 1.00 3.43 C ATOM 0 H PHE A 103 4.343 2.182 8.376 1.00 0.32 H new ATOM 0 HA PHE A 103 4.706 2.661 5.584 1.00 0.37 H new ATOM 0 HB2 PHE A 103 2.705 1.612 7.420 1.00 0.57 H new ATOM 0 HB3 PHE A 103 1.965 2.647 6.215 1.00 0.57 H new ATOM 0 HD1 PHE A 103 3.729 2.004 3.805 1.00 2.15 H new ATOM 0 HD2 PHE A 103 1.852 -0.483 6.772 1.00 2.86 H new ATOM 0 HE1 PHE A 103 3.538 0.163 2.150 1.00 2.88 H new ATOM 0 HE2 PHE A 103 1.773 -2.360 5.154 1.00 3.74 H new ATOM 0 HZ PHE A 103 2.570 -2.026 2.824 1.00 3.43 H new ATOM 1560 N GLN A 104 3.171 5.069 7.265 1.00 0.52 N ATOM 1561 CA GLN A 104 2.818 6.488 7.243 1.00 0.64 C ATOM 1562 C GLN A 104 4.067 7.351 7.053 1.00 0.70 C ATOM 1563 O GLN A 104 3.970 8.384 6.405 1.00 0.90 O ATOM 1564 CB GLN A 104 2.037 6.842 8.518 1.00 0.92 C ATOM 1565 CG GLN A 104 1.450 8.266 8.502 1.00 1.03 C ATOM 1566 CD GLN A 104 2.222 9.254 9.375 1.00 1.24 C ATOM 1567 OE1 GLN A 104 2.477 8.987 10.544 1.00 2.21 O ATOM 1568 NE2 GLN A 104 2.549 10.429 8.843 1.00 2.04 N ATOM 0 H GLN A 104 2.947 4.612 8.149 1.00 0.52 H new ATOM 0 HA GLN A 104 2.169 6.696 6.392 1.00 0.64 H new ATOM 0 HB2 GLN A 104 1.227 6.125 8.649 1.00 0.92 H new ATOM 0 HB3 GLN A 104 2.697 6.739 9.379 1.00 0.92 H new ATOM 0 HG2 GLN A 104 1.437 8.633 7.476 1.00 1.03 H new ATOM 0 HG3 GLN A 104 0.414 8.227 8.840 1.00 1.03 H new ATOM 0 HE21 GLN A 104 2.326 10.627 7.868 1.00 2.04 H new ATOM 0 HE22 GLN A 104 3.023 11.132 9.411 1.00 2.04 H new ATOM 1577 N GLU A 105 5.225 6.938 7.567 1.00 0.65 N ATOM 1578 CA GLU A 105 6.504 7.565 7.266 1.00 0.71 C ATOM 1579 C GLU A 105 6.773 7.480 5.768 1.00 0.65 C ATOM 1580 O GLU A 105 6.917 8.507 5.108 1.00 0.74 O ATOM 1581 CB GLU A 105 7.622 6.862 8.045 1.00 0.73 C ATOM 1582 CG GLU A 105 7.564 7.236 9.530 1.00 1.29 C ATOM 1583 CD GLU A 105 8.252 6.201 10.415 1.00 2.90 C ATOM 1584 OE1 GLU A 105 9.158 5.510 9.900 1.00 3.43 O ATOM 1585 OE2 GLU A 105 7.842 6.113 11.592 1.00 4.30 O ATOM 0 H GLU A 105 5.298 6.150 8.211 1.00 0.65 H new ATOM 0 HA GLU A 105 6.474 8.613 7.563 1.00 0.71 H new ATOM 0 HB2 GLU A 105 7.527 5.782 7.933 1.00 0.73 H new ATOM 0 HB3 GLU A 105 8.591 7.141 7.632 1.00 0.73 H new ATOM 0 HG2 GLU A 105 8.036 8.207 9.676 1.00 1.29 H new ATOM 0 HG3 GLU A 105 6.523 7.338 9.836 1.00 1.29 H new ATOM 1592 N MET A 106 6.839 6.252 5.238 1.00 0.54 N ATOM 1593 CA MET A 106 7.214 6.017 3.852 1.00 0.55 C ATOM 1594 C MET A 106 6.323 6.839 2.926 1.00 0.54 C ATOM 1595 O MET A 106 6.795 7.452 1.971 1.00 0.61 O ATOM 1596 CB MET A 106 7.116 4.520 3.534 1.00 0.60 C ATOM 1597 CG MET A 106 7.596 4.154 2.119 1.00 1.21 C ATOM 1598 SD MET A 106 9.378 4.274 1.798 1.00 2.28 S ATOM 1599 CE MET A 106 9.538 5.929 1.089 1.00 2.78 C ATOM 0 H MET A 106 6.633 5.401 5.762 1.00 0.54 H new ATOM 0 HA MET A 106 8.246 6.331 3.695 1.00 0.55 H new ATOM 0 HB2 MET A 106 7.705 3.964 4.263 1.00 0.60 H new ATOM 0 HB3 MET A 106 6.081 4.200 3.651 1.00 0.60 H new ATOM 0 HG2 MET A 106 7.282 3.132 1.908 1.00 1.21 H new ATOM 0 HG3 MET A 106 7.079 4.799 1.408 1.00 1.21 H new ATOM 0 HE1 MET A 106 10.398 5.956 0.419 1.00 2.78 H new ATOM 0 HE2 MET A 106 8.635 6.174 0.530 1.00 2.78 H new ATOM 0 HE3 MET A 106 9.678 6.656 1.889 1.00 2.78 H new ATOM 1609 N VAL A 107 5.021 6.832 3.214 1.00 0.54 N ATOM 1610 CA VAL A 107 4.049 7.581 2.447 1.00 0.61 C ATOM 1611 C VAL A 107 4.163 9.080 2.715 1.00 0.81 C ATOM 1612 O VAL A 107 4.420 9.852 1.801 1.00 1.26 O ATOM 1613 CB VAL A 107 2.651 7.032 2.745 1.00 0.50 C ATOM 1614 CG1 VAL A 107 1.552 7.948 2.210 1.00 0.61 C ATOM 1615 CG2 VAL A 107 2.513 5.662 2.077 1.00 0.57 C ATOM 0 H VAL A 107 4.619 6.303 3.988 1.00 0.54 H new ATOM 0 HA VAL A 107 4.246 7.456 1.382 1.00 0.61 H new ATOM 0 HB VAL A 107 2.537 6.962 3.827 1.00 0.50 H new ATOM 0 HG11 VAL A 107 0.577 7.521 2.443 1.00 0.61 H new ATOM 0 HG12 VAL A 107 1.638 8.930 2.675 1.00 0.61 H new ATOM 0 HG13 VAL A 107 1.655 8.048 1.130 1.00 0.61 H new ATOM 0 HG21 VAL A 107 1.522 5.257 2.280 1.00 0.57 H new ATOM 0 HG22 VAL A 107 2.649 5.767 1.001 1.00 0.57 H new ATOM 0 HG23 VAL A 107 3.270 4.986 2.474 1.00 0.57 H new ATOM 1625 N HIS A 108 3.894 9.530 3.938 1.00 1.03 N ATOM 1626 CA HIS A 108 3.765 10.957 4.196 1.00 1.26 C ATOM 1627 C HIS A 108 5.046 11.691 3.801 1.00 1.49 C ATOM 1628 O HIS A 108 4.985 12.785 3.238 1.00 1.45 O ATOM 1629 CB HIS A 108 3.405 11.210 5.660 1.00 1.70 C ATOM 1630 CG HIS A 108 2.875 12.597 5.917 1.00 2.30 C ATOM 1631 ND1 HIS A 108 1.918 13.249 5.169 1.00 3.16 N ATOM 1632 CD2 HIS A 108 3.231 13.426 6.947 1.00 2.78 C ATOM 1633 CE1 HIS A 108 1.708 14.447 5.738 1.00 3.47 C ATOM 1634 NE2 HIS A 108 2.469 14.595 6.834 1.00 3.18 N ATOM 0 H HIS A 108 3.763 8.934 4.755 1.00 1.03 H new ATOM 0 HA HIS A 108 2.954 11.350 3.583 1.00 1.26 H new ATOM 0 HB2 HIS A 108 2.659 10.480 5.974 1.00 1.70 H new ATOM 0 HB3 HIS A 108 4.289 11.047 6.277 1.00 1.70 H new ATOM 0 HD2 HIS A 108 3.967 13.216 7.709 1.00 2.78 H new ATOM 0 HE1 HIS A 108 1.020 15.191 5.364 1.00 3.47 H new ATOM 0 HE2 HIS A 108 2.488 15.400 7.460 1.00 3.18 H new ATOM 1642 N SER A 109 6.178 11.024 4.033 1.00 1.97 N ATOM 1643 CA SER A 109 7.508 11.440 3.633 1.00 2.30 C ATOM 1644 C SER A 109 7.887 12.831 4.154 1.00 4.18 C ATOM 1645 O SER A 109 8.718 13.486 3.486 1.00 4.40 O ATOM 1646 CB SER A 109 7.694 11.248 2.116 1.00 2.10 C ATOM 1647 OG SER A 109 6.779 11.997 1.333 1.00 3.82 O ATOM 1648 OXT SER A 109 7.378 13.199 5.237 1.00 5.71 O ATOM 0 H SER A 109 6.183 10.134 4.531 1.00 1.97 H new ATOM 0 HA SER A 109 8.232 10.786 4.119 1.00 2.30 H new ATOM 0 HB2 SER A 109 8.710 11.533 1.844 1.00 2.10 H new ATOM 0 HB3 SER A 109 7.584 10.190 1.876 1.00 2.10 H new ATOM 0 HG SER A 109 6.159 12.475 1.922 1.00 3.82 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 10.144 -2.698 9.917 1.00 0.53 CA HETATM 1656 CA CA A 111 -2.516 -6.375 11.272 1.00 0.86 CA