USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 143:sc= 0.917 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.518 USER MOD Set 2.1: A 22 THR OG1 : rot -10:sc= 0.308 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.27 K(o=1.6,f=-4.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 141:sc= 1.57 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.959 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -115:sc= 1.83 (180deg=-0.157) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.566 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0227 (180deg=-0.0227) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.28 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -0.954 K(o=-0.95,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 0.956 (180deg=0.472) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.963 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 2.05 (180deg=1.95) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.49 (180deg=0.372) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -0.733 K(o=-0.73,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.52) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.503 USER MOD Single : A 60 ASN : amide:sc=-0.00385 X(o=-0.0038,f=-0.0072) USER MOD Single : A 62 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.043) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 105:sc= 0.235 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.040 -4.336 -3.733 1.00 0.78 N ATOM 2 CA MET A 1 12.806 -5.041 -2.452 1.00 0.70 C ATOM 3 C MET A 1 11.412 -5.522 -2.241 1.00 0.62 C ATOM 4 O MET A 1 10.419 -5.090 -2.824 1.00 0.68 O ATOM 5 CB MET A 1 13.434 -4.305 -1.256 1.00 0.75 C ATOM 6 CG MET A 1 12.490 -3.256 -0.668 1.00 0.79 C ATOM 7 SD MET A 1 12.404 -1.648 -1.514 1.00 1.10 S ATOM 8 CE MET A 1 11.126 -1.046 -0.373 1.00 0.84 C ATOM 0 H1 MET A 1 14.012 -3.966 -3.753 1.00 0.78 H new ATOM 0 H2 MET A 1 12.905 -4.998 -4.523 1.00 0.78 H new ATOM 0 H3 MET A 1 12.368 -3.548 -3.823 1.00 0.78 H new ATOM 0 HA MET A 1 13.355 -5.979 -2.532 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.699 -5.028 -0.484 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.359 -3.823 -1.572 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.486 -3.680 -0.645 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.785 -3.078 0.366 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.846 -0.028 -0.645 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.250 -1.692 -0.434 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.514 -1.056 0.646 1.00 0.84 H new ATOM 20 N GLN A 2 11.226 -6.601 -1.459 1.00 0.59 N ATOM 21 CA GLN A 2 9.939 -7.152 -1.167 1.00 0.56 C ATOM 22 C GLN A 2 9.325 -6.502 0.025 1.00 0.50 C ATOM 23 O GLN A 2 9.871 -6.308 1.110 1.00 0.60 O ATOM 24 CB GLN A 2 10.023 -8.655 -0.857 1.00 0.71 C ATOM 25 CG GLN A 2 9.955 -9.550 -2.096 1.00 1.15 C ATOM 26 CD GLN A 2 10.102 -11.029 -1.767 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.687 -11.853 -2.581 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.701 -11.369 -0.595 1.00 1.72 N ATOM 0 H GLN A 2 11.994 -7.105 -1.017 1.00 0.59 H new ATOM 0 HA GLN A 2 9.334 -6.978 -2.057 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.955 -8.855 -0.328 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.209 -8.923 -0.183 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.004 -9.389 -2.603 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.741 -9.258 -2.793 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.026 -10.641 0.042 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.826 -12.352 -0.352 1.00 1.72 H new ATOM 37 N ILE A 3 8.073 -6.035 -0.122 1.00 0.44 N ATOM 38 CA ILE A 3 7.275 -5.585 0.977 1.00 0.42 C ATOM 39 C ILE A 3 5.989 -6.332 0.903 1.00 0.40 C ATOM 40 O ILE A 3 5.730 -7.053 -0.060 1.00 0.50 O ATOM 41 CB ILE A 3 7.173 -4.089 1.035 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.326 -3.442 -0.074 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.523 -3.361 1.151 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.984 -1.978 0.197 1.00 0.72 C ATOM 0 H ILE A 3 7.604 -5.968 -1.025 1.00 0.44 H new ATOM 0 HA ILE A 3 7.737 -5.808 1.939 1.00 0.42 H new ATOM 0 HB ILE A 3 6.633 -3.948 1.971 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.864 -3.512 -1.019 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.401 -4.007 -0.191 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.354 -2.285 1.187 1.00 0.61 H new ATOM 0 HG22 ILE A 3 9.031 -3.679 2.062 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.142 -3.603 0.287 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.386 -1.586 -0.625 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.418 -1.902 1.126 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.904 -1.400 0.284 1.00 0.72 H new ATOM 56 N PHE A 4 5.143 -6.166 1.935 1.00 0.37 N ATOM 57 CA PHE A 4 3.897 -6.858 2.054 1.00 0.38 C ATOM 58 C PHE A 4 2.777 -5.900 2.278 1.00 0.39 C ATOM 59 O PHE A 4 2.901 -5.037 3.145 1.00 0.60 O ATOM 60 CB PHE A 4 3.828 -7.724 3.323 1.00 0.45 C ATOM 61 CG PHE A 4 4.787 -8.861 3.243 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.774 -9.895 2.338 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.774 -8.826 4.200 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.681 -10.927 2.403 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.764 -9.781 4.202 1.00 1.40 C ATOM 66 CZ PHE A 4 6.701 -10.835 3.322 1.00 0.85 C ATOM 0 H PHE A 4 5.331 -5.531 2.711 1.00 0.37 H new ATOM 0 HA PHE A 4 3.820 -7.438 1.135 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.054 -7.114 4.197 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.815 -8.106 3.453 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.031 -9.897 1.554 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.772 -8.049 4.950 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.595 -11.784 1.752 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.590 -9.703 4.894 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.462 -11.601 3.352 1.00 0.85 H new ATOM 76 N VAL A 5 1.629 -6.053 1.596 1.00 0.35 N ATOM 77 CA VAL A 5 0.492 -5.212 1.811 1.00 0.35 C ATOM 78 C VAL A 5 -0.514 -6.198 2.298 1.00 0.35 C ATOM 79 O VAL A 5 -0.853 -7.207 1.683 1.00 0.46 O ATOM 80 CB VAL A 5 0.006 -4.539 0.561 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.308 -3.751 0.699 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.134 -3.639 0.029 1.00 0.56 C ATOM 0 H VAL A 5 1.487 -6.770 0.885 1.00 0.35 H new ATOM 0 HA VAL A 5 0.703 -4.385 2.489 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.242 -5.332 -0.144 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.568 -3.306 -0.261 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.105 -4.425 1.014 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.184 -2.964 1.442 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.802 -3.139 -0.881 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.389 -2.892 0.781 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.012 -4.247 -0.191 1.00 0.56 H new ATOM 92 N LYS A 6 -1.013 -6.052 3.538 1.00 0.36 N ATOM 93 CA LYS A 6 -2.059 -6.905 4.011 1.00 0.39 C ATOM 94 C LYS A 6 -3.406 -6.267 3.983 1.00 0.46 C ATOM 95 O LYS A 6 -3.589 -5.090 4.289 1.00 0.53 O ATOM 96 CB LYS A 6 -1.687 -7.404 5.418 1.00 0.54 C ATOM 97 CG LYS A 6 -2.185 -8.826 5.679 1.00 1.22 C ATOM 98 CD LYS A 6 -1.792 -9.352 7.061 1.00 1.37 C ATOM 99 CE LYS A 6 -2.596 -10.587 7.471 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.328 -11.697 6.529 1.00 2.09 N ATOM 0 H LYS A 6 -0.696 -5.351 4.208 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.143 -7.751 3.328 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.604 -7.373 5.538 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.110 -6.731 6.164 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.271 -8.848 5.583 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.783 -9.492 4.915 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.730 -9.597 7.064 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.939 -8.565 7.801 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.329 -10.886 8.485 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.661 -10.353 7.478 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.199 -11.931 6.011 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.590 -11.409 5.854 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.006 -12.532 7.059 1.00 2.09 H new ATOM 114 N THR A 7 -4.465 -7.066 3.761 1.00 0.58 N ATOM 115 CA THR A 7 -5.824 -6.622 3.766 1.00 0.78 C ATOM 116 C THR A 7 -6.417 -6.910 5.102 1.00 0.94 C ATOM 117 O THR A 7 -5.954 -7.685 5.938 1.00 0.99 O ATOM 118 CB THR A 7 -6.679 -7.263 2.714 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.957 -8.641 2.913 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.093 -7.266 1.291 1.00 0.92 C ATOM 0 H THR A 7 -4.370 -8.063 3.570 1.00 0.58 H new ATOM 0 HA THR A 7 -5.804 -5.555 3.546 1.00 0.78 H new ATOM 0 HB THR A 7 -7.559 -6.628 2.811 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.884 -8.828 2.655 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.792 -7.753 0.611 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.924 -6.240 0.965 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.147 -7.808 1.288 1.00 0.92 H new ATOM 128 N LEU A 8 -7.639 -6.386 5.310 1.00 1.17 N ATOM 129 CA LEU A 8 -8.422 -6.688 6.468 1.00 1.39 C ATOM 130 C LEU A 8 -9.202 -7.953 6.365 1.00 1.44 C ATOM 131 O LEU A 8 -9.669 -8.496 7.365 1.00 1.60 O ATOM 132 CB LEU A 8 -9.509 -5.621 6.687 1.00 1.66 C ATOM 133 CG LEU A 8 -8.961 -4.294 7.241 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.949 -3.147 6.967 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.558 -4.448 8.716 1.00 2.43 C ATOM 0 H LEU A 8 -8.091 -5.741 4.662 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.682 -6.748 7.266 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.015 -5.430 5.741 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.258 -6.012 7.376 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.045 -4.024 6.716 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.545 -2.216 7.366 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.100 -3.046 5.892 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.902 -3.365 7.449 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.173 -3.499 9.089 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.429 -4.742 9.302 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.786 -5.212 8.804 1.00 2.43 H new ATOM 147 N THR A 9 -9.167 -8.605 5.189 1.00 1.41 N ATOM 148 CA THR A 9 -9.824 -9.839 4.890 1.00 1.51 C ATOM 149 C THR A 9 -8.856 -10.907 5.270 1.00 1.37 C ATOM 150 O THR A 9 -9.351 -11.950 5.693 1.00 1.62 O ATOM 151 CB THR A 9 -10.317 -10.069 3.492 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.296 -9.956 2.512 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.250 -8.888 3.177 1.00 2.08 C ATOM 0 H THR A 9 -8.643 -8.243 4.392 1.00 1.41 H new ATOM 0 HA THR A 9 -10.759 -9.831 5.451 1.00 1.51 H new ATOM 0 HB THR A 9 -10.756 -11.066 3.455 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.676 -10.117 1.623 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.645 -8.996 2.167 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.075 -8.876 3.890 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.693 -7.954 3.251 1.00 2.08 H new ATOM 161 N GLY A 10 -7.561 -10.564 5.145 1.00 1.18 N ATOM 162 CA GLY A 10 -6.462 -11.346 5.619 1.00 1.22 C ATOM 163 C GLY A 10 -5.461 -11.750 4.593 1.00 0.99 C ATOM 164 O GLY A 10 -4.512 -12.460 4.922 1.00 1.31 O ATOM 0 H GLY A 10 -7.267 -9.699 4.691 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.948 -10.782 6.397 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.858 -12.247 6.087 1.00 1.22 H new ATOM 168 N LYS A 11 -5.690 -11.392 3.317 1.00 0.73 N ATOM 169 CA LYS A 11 -4.832 -11.793 2.246 1.00 0.60 C ATOM 170 C LYS A 11 -3.566 -11.017 2.360 1.00 0.51 C ATOM 171 O LYS A 11 -3.600 -9.821 2.646 1.00 0.63 O ATOM 172 CB LYS A 11 -5.587 -11.530 0.932 1.00 0.75 C ATOM 173 CG LYS A 11 -4.875 -12.043 -0.322 1.00 0.87 C ATOM 174 CD LYS A 11 -5.631 -11.737 -1.616 1.00 1.04 C ATOM 175 CE LYS A 11 -4.995 -12.364 -2.858 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.879 -12.425 -4.044 1.00 1.40 N ATOM 0 H LYS A 11 -6.480 -10.817 3.025 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.570 -12.851 2.277 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.570 -11.997 0.993 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.749 -10.457 0.829 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.882 -11.597 -0.376 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.736 -13.121 -0.237 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.656 -12.096 -1.522 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.683 -10.657 -1.750 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.101 -11.796 -3.117 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.670 -13.375 -2.612 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.307 -12.603 -4.894 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.569 -13.194 -3.923 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.382 -11.521 -4.149 1.00 1.40 H new ATOM 190 N THR A 12 -2.380 -11.603 2.111 1.00 0.49 N ATOM 191 CA THR A 12 -1.111 -10.946 2.138 1.00 0.48 C ATOM 192 C THR A 12 -0.719 -10.868 0.702 1.00 0.52 C ATOM 193 O THR A 12 -0.622 -11.833 -0.055 1.00 0.72 O ATOM 194 CB THR A 12 -0.077 -11.677 2.943 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.514 -11.867 4.281 1.00 0.77 O ATOM 196 CG2 THR A 12 1.205 -10.837 3.063 1.00 0.78 C ATOM 0 H THR A 12 -2.304 -12.593 1.877 1.00 0.49 H new ATOM 0 HA THR A 12 -1.181 -9.972 2.623 1.00 0.48 H new ATOM 0 HB THR A 12 0.095 -12.625 2.433 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.176 -12.347 4.785 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.944 -11.383 3.650 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.605 -10.640 2.068 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.976 -9.892 3.556 1.00 0.78 H new ATOM 204 N ILE A 13 -0.437 -9.639 0.238 1.00 0.48 N ATOM 205 CA ILE A 13 0.032 -9.362 -1.085 1.00 0.55 C ATOM 206 C ILE A 13 1.503 -9.125 -1.059 1.00 0.51 C ATOM 207 O ILE A 13 1.934 -8.209 -0.361 1.00 0.56 O ATOM 208 CB ILE A 13 -0.522 -8.157 -1.787 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.045 -8.016 -1.624 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.322 -8.211 -3.311 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.888 -9.194 -2.110 1.00 1.55 C ATOM 0 H ILE A 13 -0.540 -8.800 0.809 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.301 -10.245 -1.630 1.00 0.55 H new ATOM 0 HB ILE A 13 0.021 -7.332 -1.326 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.263 -7.851 -0.569 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.365 -7.122 -2.159 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.742 -7.314 -3.765 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.743 -8.267 -3.536 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.825 -9.091 -3.713 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.944 -8.979 -1.943 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.713 -9.352 -3.174 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.609 -10.093 -1.560 1.00 1.55 H new ATOM 223 N THR A 14 2.355 -9.938 -1.711 1.00 0.55 N ATOM 224 CA THR A 14 3.766 -9.712 -1.665 1.00 0.54 C ATOM 225 C THR A 14 4.134 -8.873 -2.841 1.00 0.55 C ATOM 226 O THR A 14 3.798 -9.306 -3.942 1.00 0.72 O ATOM 227 CB THR A 14 4.655 -10.917 -1.584 1.00 0.67 C ATOM 228 OG1 THR A 14 4.230 -11.589 -0.408 1.00 1.08 O ATOM 229 CG2 THR A 14 6.152 -10.572 -1.510 1.00 1.03 C ATOM 0 H THR A 14 2.069 -10.745 -2.265 1.00 0.55 H new ATOM 0 HA THR A 14 3.949 -9.216 -0.712 1.00 0.54 H new ATOM 0 HB THR A 14 4.566 -11.524 -2.485 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.672 -11.194 0.372 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.735 -11.491 -1.453 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.441 -10.013 -2.400 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.342 -9.967 -0.624 1.00 1.03 H new ATOM 237 N LEU A 15 4.722 -7.669 -2.736 1.00 0.50 N ATOM 238 CA LEU A 15 5.015 -6.717 -3.762 1.00 0.55 C ATOM 239 C LEU A 15 6.459 -6.352 -3.730 1.00 0.52 C ATOM 240 O LEU A 15 6.931 -5.886 -2.694 1.00 0.58 O ATOM 241 CB LEU A 15 4.135 -5.458 -3.683 1.00 0.69 C ATOM 242 CG LEU A 15 2.686 -5.741 -4.115 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.909 -4.414 -4.074 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.642 -6.231 -5.572 1.00 1.55 C ATOM 0 H LEU A 15 5.026 -7.326 -1.825 1.00 0.50 H new ATOM 0 HA LEU A 15 4.784 -7.196 -4.713 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.141 -5.075 -2.663 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.558 -4.680 -4.318 1.00 0.69 H new ATOM 0 HG LEU A 15 2.263 -6.495 -3.452 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.876 -4.588 -4.377 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.928 -4.013 -3.061 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.372 -3.700 -4.755 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.609 -6.426 -5.859 1.00 1.55 H new ATOM 0 HD22 LEU A 15 3.062 -5.467 -6.226 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.224 -7.148 -5.665 1.00 1.55 H new ATOM 256 N GLU A 16 7.088 -6.486 -4.911 1.00 0.59 N ATOM 257 CA GLU A 16 8.378 -5.956 -5.232 1.00 0.63 C ATOM 258 C GLU A 16 8.326 -4.550 -5.724 1.00 0.65 C ATOM 259 O GLU A 16 7.621 -4.204 -6.671 1.00 0.81 O ATOM 260 CB GLU A 16 9.025 -6.835 -6.316 1.00 0.76 C ATOM 261 CG GLU A 16 9.326 -8.264 -5.860 1.00 1.41 C ATOM 262 CD GLU A 16 10.553 -8.685 -6.656 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.445 -8.978 -7.876 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.705 -8.643 -6.149 1.00 1.92 O ATOM 0 H GLU A 16 6.670 -6.996 -5.690 1.00 0.59 H new ATOM 0 HA GLU A 16 8.963 -5.958 -4.312 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.364 -6.872 -7.182 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.953 -6.366 -6.644 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.519 -8.303 -4.788 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.483 -8.926 -6.056 1.00 1.41 H new ATOM 271 N VAL A 17 8.892 -3.589 -4.973 1.00 0.61 N ATOM 272 CA VAL A 17 8.960 -2.183 -5.224 1.00 0.63 C ATOM 273 C VAL A 17 10.372 -1.729 -5.077 1.00 0.65 C ATOM 274 O VAL A 17 11.197 -2.487 -4.570 1.00 0.76 O ATOM 275 CB VAL A 17 8.108 -1.381 -4.285 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.615 -1.671 -4.509 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.444 -1.736 -2.827 1.00 0.92 C ATOM 0 H VAL A 17 9.352 -3.827 -4.094 1.00 0.61 H new ATOM 0 HA VAL A 17 8.587 -2.021 -6.235 1.00 0.63 H new ATOM 0 HB VAL A 17 8.312 -0.328 -4.480 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.021 -1.076 -3.815 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.344 -1.413 -5.533 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.420 -2.730 -4.338 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.819 -1.147 -2.156 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.258 -2.797 -2.659 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.494 -1.516 -2.632 1.00 0.92 H new ATOM 287 N GLU A 18 10.715 -0.506 -5.519 1.00 0.68 N ATOM 288 CA GLU A 18 11.951 0.093 -5.118 1.00 0.74 C ATOM 289 C GLU A 18 11.652 1.236 -4.211 1.00 0.71 C ATOM 290 O GLU A 18 10.521 1.718 -4.248 1.00 0.74 O ATOM 291 CB GLU A 18 12.622 0.792 -6.312 1.00 0.88 C ATOM 292 CG GLU A 18 13.020 -0.156 -7.446 1.00 1.16 C ATOM 293 CD GLU A 18 13.910 -1.272 -6.919 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.980 -1.033 -6.299 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.576 -2.476 -7.088 1.00 2.33 O ATOM 0 H GLU A 18 10.145 0.062 -6.146 1.00 0.68 H new ATOM 0 HA GLU A 18 12.566 -0.693 -4.680 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.943 1.548 -6.706 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.511 1.315 -5.961 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.126 -0.581 -7.904 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.544 0.398 -8.225 1.00 1.16 H new ATOM 302 N PRO A 19 12.500 1.694 -3.340 1.00 0.74 N ATOM 303 CA PRO A 19 12.103 2.730 -2.431 1.00 0.74 C ATOM 304 C PRO A 19 11.921 4.060 -3.076 1.00 0.70 C ATOM 305 O PRO A 19 11.399 4.996 -2.472 1.00 0.74 O ATOM 306 CB PRO A 19 13.212 2.715 -1.381 1.00 0.86 C ATOM 307 CG PRO A 19 14.309 1.678 -1.675 1.00 0.95 C ATOM 308 CD PRO A 19 13.815 1.152 -3.032 1.00 0.82 C ATOM 0 HA PRO A 19 11.116 2.550 -2.006 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.663 3.706 -1.324 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.776 2.506 -0.404 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.301 2.126 -1.737 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.359 0.896 -0.917 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.521 1.428 -3.815 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.771 0.063 -3.012 1.00 0.82 H new ATOM 316 N SER A 20 12.282 4.252 -4.357 1.00 0.70 N ATOM 317 CA SER A 20 12.165 5.430 -5.159 1.00 0.74 C ATOM 318 C SER A 20 10.805 5.615 -5.739 1.00 0.71 C ATOM 319 O SER A 20 10.369 6.728 -6.029 1.00 0.80 O ATOM 320 CB SER A 20 13.185 5.352 -6.309 1.00 0.89 C ATOM 321 OG SER A 20 12.917 4.146 -7.007 1.00 1.45 O ATOM 0 H SER A 20 12.704 3.491 -4.889 1.00 0.70 H new ATOM 0 HA SER A 20 12.356 6.282 -4.506 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.089 6.212 -6.971 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.205 5.358 -5.924 1.00 0.89 H new ATOM 0 HG SER A 20 13.545 4.054 -7.754 1.00 1.45 H new ATOM 327 N ASP A 21 10.083 4.491 -5.889 1.00 0.70 N ATOM 328 CA ASP A 21 8.753 4.539 -6.415 1.00 0.73 C ATOM 329 C ASP A 21 7.814 5.238 -5.494 1.00 0.64 C ATOM 330 O ASP A 21 8.097 5.259 -4.297 1.00 0.66 O ATOM 331 CB ASP A 21 8.206 3.105 -6.527 1.00 0.87 C ATOM 332 CG ASP A 21 8.901 2.445 -7.710 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.888 3.030 -8.826 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.438 1.311 -7.595 1.00 1.50 O ATOM 0 H ASP A 21 10.415 3.557 -5.649 1.00 0.70 H new ATOM 0 HA ASP A 21 8.812 5.059 -7.371 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.397 2.548 -5.610 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.126 3.116 -6.674 1.00 0.87 H new ATOM 339 N THR A 22 6.710 5.825 -5.991 1.00 0.63 N ATOM 340 CA THR A 22 5.772 6.556 -5.199 1.00 0.58 C ATOM 341 C THR A 22 4.795 5.557 -4.679 1.00 0.53 C ATOM 342 O THR A 22 4.860 4.396 -5.080 1.00 0.58 O ATOM 343 CB THR A 22 5.052 7.700 -5.849 1.00 0.63 C ATOM 344 OG1 THR A 22 4.538 7.292 -7.109 1.00 0.70 O ATOM 345 CG2 THR A 22 6.011 8.893 -5.995 1.00 0.75 C ATOM 0 H THR A 22 6.463 5.789 -6.980 1.00 0.63 H new ATOM 0 HA THR A 22 6.351 7.062 -4.427 1.00 0.58 H new ATOM 0 HB THR A 22 4.212 8.010 -5.228 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.909 6.416 -7.345 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.488 9.725 -6.467 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.364 9.199 -5.010 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.862 8.603 -6.611 1.00 0.75 H new ATOM 353 N ILE A 23 3.849 5.993 -3.828 1.00 0.51 N ATOM 354 CA ILE A 23 2.798 5.172 -3.317 1.00 0.48 C ATOM 355 C ILE A 23 1.765 4.887 -4.353 1.00 0.48 C ATOM 356 O ILE A 23 1.261 3.772 -4.475 1.00 0.51 O ATOM 357 CB ILE A 23 2.223 5.877 -2.123 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.131 5.965 -0.885 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.859 5.347 -1.651 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.180 4.875 -0.667 1.00 0.73 C ATOM 0 H ILE A 23 3.816 6.953 -3.484 1.00 0.51 H new ATOM 0 HA ILE A 23 3.187 4.197 -3.023 1.00 0.48 H new ATOM 0 HB ILE A 23 2.109 6.877 -2.541 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.651 6.922 -0.924 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.489 5.987 -0.005 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.526 5.919 -0.785 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.130 5.450 -2.455 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.952 4.296 -1.378 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.736 5.083 0.247 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.686 3.907 -0.580 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.867 4.857 -1.513 1.00 0.73 H new ATOM 372 N GLU A 24 1.490 5.834 -5.268 1.00 0.50 N ATOM 373 CA GLU A 24 0.744 5.739 -6.485 1.00 0.53 C ATOM 374 C GLU A 24 1.097 4.553 -7.314 1.00 0.50 C ATOM 375 O GLU A 24 0.251 3.912 -7.935 1.00 0.55 O ATOM 376 CB GLU A 24 0.880 7.047 -7.283 1.00 0.64 C ATOM 377 CG GLU A 24 0.319 7.075 -8.706 1.00 0.95 C ATOM 378 CD GLU A 24 0.452 8.382 -9.474 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.706 9.451 -8.856 1.00 1.62 O ATOM 380 OE2 GLU A 24 0.248 8.440 -10.717 1.00 1.56 O ATOM 0 H GLU A 24 1.836 6.784 -5.133 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.300 5.591 -6.208 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.392 7.839 -6.715 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.939 7.299 -7.335 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.814 6.292 -9.281 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.739 6.816 -8.659 1.00 0.95 H new ATOM 387 N ASN A 25 2.369 4.146 -7.479 1.00 0.51 N ATOM 388 CA ASN A 25 2.790 3.013 -8.244 1.00 0.52 C ATOM 389 C ASN A 25 2.496 1.699 -7.603 1.00 0.47 C ATOM 390 O ASN A 25 2.350 0.640 -8.212 1.00 0.53 O ATOM 391 CB ASN A 25 4.300 2.925 -8.524 1.00 0.64 C ATOM 392 CG ASN A 25 4.788 4.227 -9.143 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.457 5.062 -8.536 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.480 4.271 -10.467 1.00 1.57 N ATOM 0 H ASN A 25 3.152 4.640 -7.051 1.00 0.51 H new ATOM 0 HA ASN A 25 2.219 3.184 -9.156 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.840 2.728 -7.598 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.506 2.092 -9.197 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.812 5.045 -11.042 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.917 3.530 -10.885 1.00 1.57 H new ATOM 401 N VAL A 26 2.333 1.772 -6.270 1.00 0.45 N ATOM 402 CA VAL A 26 1.954 0.642 -5.479 1.00 0.44 C ATOM 403 C VAL A 26 0.507 0.359 -5.697 1.00 0.40 C ATOM 404 O VAL A 26 0.202 -0.773 -6.068 1.00 0.44 O ATOM 405 CB VAL A 26 2.266 0.772 -4.017 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.910 -0.542 -3.299 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.751 1.045 -3.724 1.00 0.62 C ATOM 0 H VAL A 26 2.466 2.629 -5.733 1.00 0.45 H new ATOM 0 HA VAL A 26 2.563 -0.197 -5.815 1.00 0.44 H new ATOM 0 HB VAL A 26 1.680 1.621 -3.664 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.136 -0.449 -2.237 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.848 -0.750 -3.427 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.494 -1.359 -3.724 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.900 1.127 -2.647 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.355 0.225 -4.113 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.051 1.977 -4.204 1.00 0.62 H new ATOM 417 N LYS A 27 -0.272 1.454 -5.626 1.00 0.40 N ATOM 418 CA LYS A 27 -1.629 1.427 -6.072 1.00 0.41 C ATOM 419 C LYS A 27 -1.949 0.936 -7.442 1.00 0.38 C ATOM 420 O LYS A 27 -2.939 0.268 -7.735 1.00 0.42 O ATOM 421 CB LYS A 27 -2.333 2.785 -5.906 1.00 0.51 C ATOM 422 CG LYS A 27 -2.272 3.378 -4.497 1.00 0.76 C ATOM 423 CD LYS A 27 -3.110 4.655 -4.421 1.00 0.82 C ATOM 424 CE LYS A 27 -3.519 5.092 -3.013 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.645 6.051 -3.002 1.00 1.11 N ATOM 0 H LYS A 27 0.037 2.355 -5.261 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.003 0.656 -5.399 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.888 3.495 -6.602 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.379 2.672 -6.191 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.639 2.651 -3.773 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.238 3.597 -4.232 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.548 5.466 -4.885 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.013 4.512 -5.015 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.795 4.212 -2.433 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.660 5.545 -2.517 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.984 6.177 -2.027 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.325 6.966 -3.379 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.419 5.685 -3.593 1.00 1.11 H new ATOM 439 N ALA A 28 -1.010 1.066 -8.396 1.00 0.39 N ATOM 440 CA ALA A 28 -1.033 0.543 -9.727 1.00 0.39 C ATOM 441 C ALA A 28 -0.741 -0.917 -9.726 1.00 0.36 C ATOM 442 O ALA A 28 -1.287 -1.702 -10.500 1.00 0.42 O ATOM 443 CB ALA A 28 0.069 1.246 -10.538 1.00 0.51 C ATOM 0 H ALA A 28 -0.153 1.588 -8.216 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.021 0.711 -10.157 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.071 0.863 -11.558 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.120 2.319 -10.554 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.038 1.055 -10.077 1.00 0.51 H new ATOM 449 N LYS A 29 0.138 -1.548 -8.927 1.00 0.39 N ATOM 450 CA LYS A 29 0.331 -2.965 -8.938 1.00 0.43 C ATOM 451 C LYS A 29 -0.854 -3.662 -8.363 1.00 0.44 C ATOM 452 O LYS A 29 -1.393 -4.640 -8.879 1.00 0.54 O ATOM 453 CB LYS A 29 1.544 -3.265 -8.041 1.00 0.54 C ATOM 454 CG LYS A 29 2.866 -2.991 -8.763 1.00 0.65 C ATOM 455 CD LYS A 29 4.042 -2.644 -7.846 1.00 1.08 C ATOM 456 CE LYS A 29 5.221 -2.140 -8.681 1.00 1.24 C ATOM 457 NZ LYS A 29 6.047 -3.288 -9.119 1.00 1.44 N ATOM 0 H LYS A 29 0.730 -1.060 -8.255 1.00 0.39 H new ATOM 0 HA LYS A 29 0.479 -3.309 -9.962 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.489 -2.655 -7.139 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.512 -4.307 -7.723 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.130 -3.869 -9.352 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.717 -2.170 -9.464 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.742 -1.882 -7.127 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.340 -3.522 -7.273 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.856 -1.590 -9.548 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.825 -1.447 -8.095 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.663 -2.993 -9.904 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.632 -3.618 -8.325 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.427 -4.060 -9.437 1.00 1.44 H new ATOM 471 N ILE A 30 -1.475 -3.146 -7.287 1.00 0.41 N ATOM 472 CA ILE A 30 -2.695 -3.609 -6.703 1.00 0.44 C ATOM 473 C ILE A 30 -3.813 -3.557 -7.687 1.00 0.45 C ATOM 474 O ILE A 30 -4.674 -4.434 -7.736 1.00 0.56 O ATOM 475 CB ILE A 30 -2.996 -2.937 -5.396 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.870 -3.269 -4.404 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.327 -3.420 -4.797 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.681 -2.328 -3.215 1.00 1.32 C ATOM 0 H ILE A 30 -1.093 -2.343 -6.788 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.568 -4.661 -6.446 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.070 -1.864 -5.576 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.048 -4.272 -4.015 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.932 -3.304 -4.958 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.507 -2.909 -3.851 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.139 -3.199 -5.490 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.280 -4.495 -4.625 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.854 -2.682 -2.599 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.460 -1.324 -3.577 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.594 -2.306 -2.619 1.00 1.32 H new ATOM 490 N GLN A 31 -3.963 -2.501 -8.507 1.00 0.41 N ATOM 491 CA GLN A 31 -4.929 -2.277 -9.538 1.00 0.48 C ATOM 492 C GLN A 31 -4.689 -3.284 -10.609 1.00 0.52 C ATOM 493 O GLN A 31 -5.610 -3.833 -11.212 1.00 0.66 O ATOM 494 CB GLN A 31 -4.963 -0.859 -10.135 1.00 0.52 C ATOM 495 CG GLN A 31 -5.905 -0.642 -11.320 1.00 0.70 C ATOM 496 CD GLN A 31 -5.846 0.712 -12.012 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.833 1.427 -12.179 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.693 1.020 -12.665 1.00 1.43 N ATOM 0 H GLN A 31 -3.325 -1.708 -8.434 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.909 -2.384 -9.073 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.242 -0.162 -9.345 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.953 -0.596 -10.449 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.697 -1.411 -12.063 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.926 -0.801 -10.974 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.864 0.439 -12.539 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.657 1.832 -13.281 1.00 1.43 H new ATOM 507 N ASP A 32 -3.459 -3.546 -11.086 1.00 0.50 N ATOM 508 CA ASP A 32 -3.125 -4.630 -11.957 1.00 0.60 C ATOM 509 C ASP A 32 -3.491 -6.001 -11.502 1.00 0.65 C ATOM 510 O ASP A 32 -4.237 -6.794 -12.072 1.00 0.81 O ATOM 511 CB ASP A 32 -1.656 -4.432 -12.363 1.00 0.67 C ATOM 512 CG ASP A 32 -1.078 -5.291 -13.479 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.591 -6.389 -13.097 1.00 1.55 O ATOM 514 OD2 ASP A 32 -1.230 -4.932 -14.676 1.00 1.51 O ATOM 0 H ASP A 32 -2.652 -2.968 -10.850 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.769 -4.585 -12.835 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.532 -3.389 -12.653 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.045 -4.591 -11.475 1.00 0.67 H new ATOM 519 N LYS A 33 -2.844 -6.417 -10.398 1.00 0.62 N ATOM 520 CA LYS A 33 -2.991 -7.729 -9.849 1.00 0.73 C ATOM 521 C LYS A 33 -4.385 -8.034 -9.422 1.00 0.69 C ATOM 522 O LYS A 33 -4.870 -9.095 -9.811 1.00 0.83 O ATOM 523 CB LYS A 33 -2.065 -7.896 -8.631 1.00 0.85 C ATOM 524 CG LYS A 33 -2.068 -9.228 -7.881 1.00 1.31 C ATOM 525 CD LYS A 33 -1.812 -10.529 -8.646 1.00 1.71 C ATOM 526 CE LYS A 33 -0.349 -10.844 -8.966 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.234 -12.120 -9.706 1.00 2.62 N ATOM 0 H LYS A 33 -2.201 -5.824 -9.873 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.725 -8.423 -10.646 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.044 -7.707 -8.964 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.317 -7.114 -7.915 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.317 -9.160 -7.093 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -3.037 -9.324 -7.391 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -2.222 -11.355 -8.065 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -2.368 -10.491 -9.583 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.080 -10.036 -9.558 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.225 -10.902 -8.041 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.767 -12.313 -9.912 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.624 -12.892 -9.129 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.764 -12.053 -10.598 1.00 2.62 H new ATOM 541 N GLU A 34 -4.991 -7.238 -8.522 1.00 0.63 N ATOM 542 CA GLU A 34 -6.182 -7.477 -7.769 1.00 0.67 C ATOM 543 C GLU A 34 -7.352 -6.770 -8.366 1.00 0.69 C ATOM 544 O GLU A 34 -8.449 -7.308 -8.504 1.00 0.95 O ATOM 545 CB GLU A 34 -6.015 -7.260 -6.255 1.00 0.73 C ATOM 546 CG GLU A 34 -4.976 -8.015 -5.425 1.00 0.83 C ATOM 547 CD GLU A 34 -5.391 -9.472 -5.281 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.436 -9.725 -4.622 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.762 -10.370 -5.900 1.00 1.37 O ATOM 0 H GLU A 34 -4.598 -6.323 -8.300 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.397 -8.543 -7.847 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.815 -6.198 -6.113 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.985 -7.466 -5.802 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.999 -7.951 -5.904 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.880 -7.556 -4.441 1.00 0.83 H new ATOM 556 N GLY A 35 -7.258 -5.484 -8.750 1.00 0.63 N ATOM 557 CA GLY A 35 -8.262 -4.797 -9.500 1.00 0.68 C ATOM 558 C GLY A 35 -8.922 -3.691 -8.749 1.00 0.76 C ATOM 559 O GLY A 35 -9.980 -3.206 -9.147 1.00 1.12 O ATOM 0 H GLY A 35 -6.451 -4.901 -8.529 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.812 -4.391 -10.406 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.021 -5.513 -9.815 1.00 0.68 H new ATOM 563 N ILE A 36 -8.223 -3.174 -7.722 1.00 0.70 N ATOM 564 CA ILE A 36 -8.753 -2.210 -6.806 1.00 0.76 C ATOM 565 C ILE A 36 -8.341 -0.929 -7.445 1.00 0.71 C ATOM 566 O ILE A 36 -7.144 -0.842 -7.716 1.00 0.73 O ATOM 567 CB ILE A 36 -8.226 -2.393 -5.414 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.212 -3.850 -4.921 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.033 -1.421 -4.535 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.843 -4.010 -3.447 1.00 1.16 C ATOM 0 H ILE A 36 -7.257 -3.435 -7.522 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.830 -2.280 -6.654 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.163 -2.156 -5.369 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.197 -4.287 -5.087 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.505 -4.419 -5.525 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.699 -1.503 -3.501 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.880 -0.401 -4.886 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.092 -1.671 -4.594 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.857 -5.067 -3.181 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.845 -3.606 -3.276 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.563 -3.472 -2.831 1.00 1.16 H new ATOM 582 N PRO A 37 -9.168 0.044 -7.692 1.00 0.75 N ATOM 583 CA PRO A 37 -8.764 1.312 -8.224 1.00 0.79 C ATOM 584 C PRO A 37 -8.006 2.178 -7.278 1.00 0.75 C ATOM 585 O PRO A 37 -8.332 1.998 -6.105 1.00 0.75 O ATOM 586 CB PRO A 37 -10.059 2.032 -8.597 1.00 0.95 C ATOM 587 CG PRO A 37 -11.091 1.370 -7.671 1.00 1.02 C ATOM 588 CD PRO A 37 -10.610 -0.084 -7.547 1.00 0.85 C ATOM 0 HA PRO A 37 -8.085 1.129 -9.057 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.990 3.106 -8.424 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.311 1.894 -9.648 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.127 1.862 -6.699 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.095 1.423 -8.092 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.883 -0.521 -6.586 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.040 -0.720 -8.320 1.00 0.85 H new ATOM 596 N PRO A 38 -7.181 3.118 -7.630 1.00 0.81 N ATOM 597 CA PRO A 38 -6.473 3.900 -6.659 1.00 0.85 C ATOM 598 C PRO A 38 -7.259 4.798 -5.767 1.00 0.89 C ATOM 599 O PRO A 38 -6.884 5.020 -4.616 1.00 0.99 O ATOM 600 CB PRO A 38 -5.459 4.715 -7.458 1.00 1.01 C ATOM 601 CG PRO A 38 -5.106 3.795 -8.637 1.00 1.25 C ATOM 602 CD PRO A 38 -6.490 3.187 -8.909 1.00 0.98 C ATOM 0 HA PRO A 38 -6.048 3.197 -5.943 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.883 5.659 -7.799 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.580 4.957 -6.861 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.714 4.344 -9.493 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.363 3.043 -8.373 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.048 3.800 -9.617 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.396 2.195 -9.351 1.00 0.98 H new ATOM 610 N ASP A 39 -8.455 5.194 -6.236 1.00 0.96 N ATOM 611 CA ASP A 39 -9.376 5.931 -5.428 1.00 1.11 C ATOM 612 C ASP A 39 -9.930 5.226 -4.238 1.00 1.00 C ATOM 613 O ASP A 39 -10.047 5.848 -3.183 1.00 1.14 O ATOM 614 CB ASP A 39 -10.448 6.514 -6.362 1.00 1.39 C ATOM 615 CG ASP A 39 -11.640 7.080 -5.604 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.565 8.176 -4.986 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.682 6.411 -5.834 1.00 2.23 O ATOM 0 H ASP A 39 -8.786 5.002 -7.181 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.819 6.729 -4.938 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.004 7.300 -6.973 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.792 5.737 -7.044 1.00 1.39 H new ATOM 622 N GLN A 40 -10.168 3.902 -4.251 1.00 0.87 N ATOM 623 CA GLN A 40 -10.738 3.178 -3.156 1.00 0.84 C ATOM 624 C GLN A 40 -9.724 2.792 -2.135 1.00 0.67 C ATOM 625 O GLN A 40 -9.931 2.605 -0.937 1.00 0.80 O ATOM 626 CB GLN A 40 -11.463 1.908 -3.632 1.00 0.95 C ATOM 627 CG GLN A 40 -12.900 2.245 -4.033 1.00 1.32 C ATOM 628 CD GLN A 40 -13.432 0.989 -4.706 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.820 -0.068 -4.559 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.665 1.067 -5.275 1.00 2.02 N ATOM 0 H GLN A 40 -9.955 3.312 -5.056 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.454 3.860 -2.697 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.933 1.473 -4.479 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.464 1.161 -2.838 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.500 2.509 -3.162 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.930 3.098 -4.711 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -15.126 1.972 -5.371 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.129 0.221 -5.605 1.00 2.02 H new ATOM 639 N GLN A 41 -8.494 2.467 -2.569 1.00 0.56 N ATOM 640 CA GLN A 41 -7.446 2.001 -1.716 1.00 0.51 C ATOM 641 C GLN A 41 -6.792 3.120 -0.980 1.00 0.49 C ATOM 642 O GLN A 41 -6.401 4.124 -1.573 1.00 0.65 O ATOM 643 CB GLN A 41 -6.443 1.100 -2.458 1.00 0.67 C ATOM 644 CG GLN A 41 -5.952 1.707 -3.773 1.00 0.69 C ATOM 645 CD GLN A 41 -5.010 0.837 -4.594 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.967 0.460 -4.062 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.326 0.495 -5.871 1.00 0.61 N ATOM 0 H GLN A 41 -8.219 2.531 -3.549 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.908 1.366 -0.960 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.587 0.909 -1.811 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -6.910 0.136 -2.661 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.820 1.948 -4.386 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.447 2.647 -3.551 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.198 0.823 -6.286 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.691 -0.089 -6.415 1.00 0.61 H new ATOM 656 N ARG A 42 -6.665 2.949 0.348 1.00 0.47 N ATOM 657 CA ARG A 42 -5.850 3.740 1.217 1.00 0.55 C ATOM 658 C ARG A 42 -4.930 2.798 1.916 1.00 0.46 C ATOM 659 O ARG A 42 -5.399 1.796 2.452 1.00 0.52 O ATOM 660 CB ARG A 42 -6.725 4.544 2.194 1.00 0.73 C ATOM 661 CG ARG A 42 -7.605 5.499 1.386 1.00 1.04 C ATOM 662 CD ARG A 42 -8.395 6.504 2.227 1.00 1.28 C ATOM 663 NE ARG A 42 -9.164 7.357 1.278 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.694 8.569 1.616 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.859 8.861 2.940 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.161 9.380 0.624 1.00 2.78 N ATOM 0 H ARG A 42 -7.163 2.211 0.846 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.269 4.478 0.664 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.343 3.872 2.790 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.100 5.103 2.890 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.975 6.047 0.685 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.306 4.912 0.792 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.067 5.989 2.913 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.723 7.111 2.834 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.302 7.018 0.326 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.588 8.180 3.650 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.253 9.760 3.219 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.110 9.077 -0.349 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.561 10.290 0.855 1.00 2.78 H new ATOM 680 N LEU A 43 -3.623 3.115 1.898 1.00 0.46 N ATOM 681 CA LEU A 43 -2.669 2.357 2.648 1.00 0.42 C ATOM 682 C LEU A 43 -2.348 2.950 3.977 1.00 0.43 C ATOM 683 O LEU A 43 -2.121 4.154 4.077 1.00 0.55 O ATOM 684 CB LEU A 43 -1.400 2.042 1.840 1.00 0.55 C ATOM 685 CG LEU A 43 -1.678 1.210 0.577 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.591 1.678 -0.403 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.626 -0.320 0.726 1.00 1.12 C ATOM 0 H LEU A 43 -3.228 3.891 1.368 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.161 1.407 2.856 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.918 2.977 1.553 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.697 1.503 2.475 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.709 1.377 0.264 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.697 1.143 -1.347 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.696 2.749 -0.579 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.393 1.475 0.020 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.840 -0.787 -0.236 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.633 -0.619 1.062 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.368 -0.640 1.457 1.00 1.12 H new ATOM 699 N ILE A 44 -2.198 2.188 5.075 1.00 0.42 N ATOM 700 CA ILE A 44 -1.775 2.666 6.355 1.00 0.46 C ATOM 701 C ILE A 44 -0.454 2.045 6.654 1.00 0.42 C ATOM 702 O ILE A 44 -0.163 0.877 6.405 1.00 0.53 O ATOM 703 CB ILE A 44 -2.744 2.376 7.464 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.081 3.059 7.130 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.257 3.093 8.734 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.251 2.481 7.926 1.00 1.27 C ATOM 0 H ILE A 44 -2.382 1.185 5.069 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.712 3.753 6.304 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.835 1.297 7.591 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.000 4.127 7.333 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.283 2.952 6.064 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.949 2.894 9.552 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.265 2.728 9.001 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.211 4.166 8.551 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.170 2.999 7.651 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.353 1.419 7.703 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.066 2.612 8.992 1.00 1.27 H new ATOM 718 N PHE A 45 0.492 2.822 7.213 1.00 0.42 N ATOM 719 CA PHE A 45 1.720 2.325 7.752 1.00 0.46 C ATOM 720 C PHE A 45 2.185 3.128 8.919 1.00 0.68 C ATOM 721 O PHE A 45 2.119 4.356 8.897 1.00 1.50 O ATOM 722 CB PHE A 45 2.715 2.189 6.587 1.00 0.56 C ATOM 723 CG PHE A 45 4.044 1.635 6.969 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.146 0.270 7.099 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.132 2.429 7.251 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.286 -0.302 7.613 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.251 1.870 7.822 1.00 1.33 C ATOM 728 CZ PHE A 45 6.355 0.503 7.928 1.00 1.02 C ATOM 0 H PHE A 45 0.398 3.835 7.292 1.00 0.42 H new ATOM 0 HA PHE A 45 1.596 1.334 8.189 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.275 1.548 5.823 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.861 3.170 6.135 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.323 -0.359 6.794 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.107 3.485 7.025 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.341 -1.370 7.767 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.046 2.503 8.186 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.282 0.059 8.261 1.00 1.02 H new ATOM 738 N ALA A 46 2.655 2.459 9.987 1.00 0.81 N ATOM 739 CA ALA A 46 3.105 3.086 11.189 1.00 0.96 C ATOM 740 C ALA A 46 2.088 3.849 11.967 1.00 0.97 C ATOM 741 O ALA A 46 2.408 4.344 13.046 1.00 1.21 O ATOM 742 CB ALA A 46 4.480 3.749 11.000 1.00 1.20 C ATOM 0 H ALA A 46 2.724 1.442 10.013 1.00 0.81 H new ATOM 0 HA ALA A 46 3.271 2.276 11.900 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.790 4.216 11.935 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.211 2.994 10.711 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.414 4.508 10.220 1.00 1.20 H new ATOM 748 N GLY A 47 0.841 3.933 11.467 1.00 0.99 N ATOM 749 CA GLY A 47 -0.273 4.691 11.944 1.00 1.10 C ATOM 750 C GLY A 47 -0.626 5.844 11.069 1.00 1.03 C ATOM 751 O GLY A 47 -1.566 6.623 11.224 1.00 1.30 O ATOM 0 H GLY A 47 0.589 3.406 10.631 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.138 4.034 12.032 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.049 5.060 12.945 1.00 1.10 H new ATOM 755 N LYS A 48 0.277 6.139 10.117 1.00 0.98 N ATOM 756 CA LYS A 48 0.140 7.209 9.180 1.00 1.05 C ATOM 757 C LYS A 48 -0.561 6.699 7.968 1.00 0.84 C ATOM 758 O LYS A 48 -0.138 5.721 7.354 1.00 0.81 O ATOM 759 CB LYS A 48 1.506 7.786 8.773 1.00 1.42 C ATOM 760 CG LYS A 48 2.389 8.167 9.963 1.00 1.61 C ATOM 761 CD LYS A 48 3.521 9.112 9.554 1.00 1.87 C ATOM 762 CE LYS A 48 4.380 9.545 10.744 1.00 2.22 C ATOM 763 NZ LYS A 48 5.211 10.663 10.243 1.00 2.55 N ATOM 0 H LYS A 48 1.140 5.608 9.996 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.433 8.008 9.651 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.032 7.054 8.160 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.348 8.667 8.151 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.778 8.643 10.731 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.811 7.265 10.405 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.152 8.619 8.814 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.098 9.995 9.075 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.759 9.862 11.582 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.001 8.723 11.100 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.825 11.009 11.008 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.798 10.332 9.451 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.595 11.435 9.918 1.00 2.55 H new ATOM 777 N GLN A 49 -1.635 7.327 7.455 1.00 0.84 N ATOM 778 CA GLN A 49 -2.288 7.040 6.216 1.00 0.80 C ATOM 779 C GLN A 49 -1.461 7.607 5.115 1.00 0.72 C ATOM 780 O GLN A 49 -1.143 8.792 5.036 1.00 0.83 O ATOM 781 CB GLN A 49 -3.729 7.575 6.165 1.00 1.03 C ATOM 782 CG GLN A 49 -4.581 7.071 4.997 1.00 1.67 C ATOM 783 CD GLN A 49 -6.058 7.388 5.178 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.872 6.470 5.082 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.473 8.671 5.349 1.00 2.48 N ATOM 0 H GLN A 49 -2.082 8.099 7.950 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.375 5.959 6.106 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.229 7.310 7.097 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.692 8.663 6.121 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.226 7.522 4.071 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.453 5.993 4.896 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.788 9.423 5.427 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.470 8.882 5.399 1.00 2.48 H new ATOM 794 N LEU A 50 -1.113 6.762 4.128 1.00 0.69 N ATOM 795 CA LEU A 50 -0.165 7.104 3.113 1.00 0.66 C ATOM 796 C LEU A 50 -0.624 7.960 1.982 1.00 0.72 C ATOM 797 O LEU A 50 -1.647 7.683 1.357 1.00 0.90 O ATOM 798 CB LEU A 50 0.671 5.937 2.563 1.00 0.65 C ATOM 799 CG LEU A 50 1.268 5.031 3.653 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.024 3.874 2.979 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.199 5.705 4.676 1.00 0.74 C ATOM 0 H LEU A 50 -1.498 5.822 4.033 1.00 0.69 H new ATOM 0 HA LEU A 50 0.476 7.740 3.724 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.046 5.334 1.905 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.481 6.338 1.954 1.00 0.65 H new ATOM 0 HG LEU A 50 0.410 4.698 4.237 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.452 3.225 3.743 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.334 3.300 2.360 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.823 4.276 2.355 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.554 4.962 5.390 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.051 6.146 4.158 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.653 6.486 5.206 1.00 0.74 H new ATOM 813 N GLU A 51 0.070 9.068 1.670 1.00 0.70 N ATOM 814 CA GLU A 51 -0.301 9.821 0.513 1.00 0.76 C ATOM 815 C GLU A 51 0.240 9.348 -0.792 1.00 0.77 C ATOM 816 O GLU A 51 1.351 8.821 -0.815 1.00 1.23 O ATOM 817 CB GLU A 51 0.183 11.277 0.623 1.00 0.88 C ATOM 818 CG GLU A 51 -0.430 11.982 1.834 1.00 1.35 C ATOM 819 CD GLU A 51 0.316 13.295 2.035 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.562 13.401 1.888 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.405 14.313 2.213 1.00 1.94 O ATOM 0 H GLU A 51 0.862 9.434 2.198 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.385 9.703 0.507 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.270 11.295 0.702 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.080 11.818 -0.286 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.492 12.167 1.671 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.348 11.356 2.723 1.00 1.35 H new ATOM 828 N ASP A 52 -0.466 9.541 -1.922 1.00 0.66 N ATOM 829 CA ASP A 52 -0.199 9.026 -3.229 1.00 0.65 C ATOM 830 C ASP A 52 0.986 9.636 -3.894 1.00 0.60 C ATOM 831 O ASP A 52 1.713 8.925 -4.588 1.00 0.62 O ATOM 832 CB ASP A 52 -1.365 9.379 -4.169 1.00 0.81 C ATOM 833 CG ASP A 52 -2.694 8.887 -3.615 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.155 9.308 -2.521 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.279 7.973 -4.255 1.00 1.56 O ATOM 0 H ASP A 52 -1.308 10.116 -1.916 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.040 7.959 -3.076 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.406 10.459 -4.311 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.191 8.935 -5.149 1.00 0.81 H new ATOM 840 N GLY A 53 1.263 10.940 -3.714 1.00 0.68 N ATOM 841 CA GLY A 53 2.526 11.358 -4.240 1.00 0.73 C ATOM 842 C GLY A 53 3.743 11.239 -3.387 1.00 0.72 C ATOM 843 O GLY A 53 4.765 11.717 -3.877 1.00 0.97 O ATOM 0 H GLY A 53 0.683 11.642 -3.255 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.707 10.788 -5.151 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.430 12.404 -4.532 1.00 0.73 H new ATOM 847 N ARG A 54 3.653 10.547 -2.238 1.00 0.64 N ATOM 848 CA ARG A 54 4.863 10.265 -1.529 1.00 0.63 C ATOM 849 C ARG A 54 5.616 9.108 -2.089 1.00 0.59 C ATOM 850 O ARG A 54 5.081 8.225 -2.757 1.00 0.62 O ATOM 851 CB ARG A 54 4.642 10.104 -0.016 1.00 0.69 C ATOM 852 CG ARG A 54 4.112 11.274 0.815 1.00 0.82 C ATOM 853 CD ARG A 54 5.132 12.310 1.292 1.00 1.18 C ATOM 854 NE ARG A 54 4.374 13.317 2.086 1.00 1.50 N ATOM 855 CZ ARG A 54 4.964 14.361 2.738 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.275 14.312 3.118 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.174 15.405 3.121 1.00 2.49 N ATOM 0 H ARG A 54 2.792 10.198 -1.816 1.00 0.64 H new ATOM 0 HA ARG A 54 5.487 11.147 -1.674 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.953 9.271 0.123 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.595 9.805 0.419 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.355 11.791 0.226 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.610 10.866 1.692 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.906 11.841 1.899 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.632 12.780 0.445 1.00 1.18 H new ATOM 0 HE ARG A 54 3.360 13.221 2.146 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.834 13.483 2.916 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.695 15.104 3.604 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.174 15.389 2.918 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.583 16.201 3.610 1.00 2.49 H new ATOM 871 N THR A 55 6.939 9.137 -1.846 1.00 0.63 N ATOM 872 CA THR A 55 7.785 8.008 -2.076 1.00 0.61 C ATOM 873 C THR A 55 7.737 7.059 -0.928 1.00 0.59 C ATOM 874 O THR A 55 7.311 7.332 0.193 1.00 0.64 O ATOM 875 CB THR A 55 9.253 8.241 -2.282 1.00 0.68 C ATOM 876 OG1 THR A 55 9.828 9.036 -1.256 1.00 0.75 O ATOM 877 CG2 THR A 55 9.588 8.887 -3.637 1.00 0.76 C ATOM 0 H THR A 55 7.428 9.956 -1.485 1.00 0.63 H new ATOM 0 HA THR A 55 7.366 7.644 -3.014 1.00 0.61 H new ATOM 0 HB THR A 55 9.684 7.240 -2.257 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.731 8.712 -1.059 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.666 9.026 -3.717 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.245 8.239 -4.444 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.091 9.854 -3.712 1.00 0.76 H new ATOM 885 N LEU A 56 8.210 5.813 -1.110 1.00 0.58 N ATOM 886 CA LEU A 56 8.319 4.919 0.002 1.00 0.59 C ATOM 887 C LEU A 56 9.475 5.245 0.884 1.00 0.64 C ATOM 888 O LEU A 56 9.457 5.049 2.098 1.00 0.70 O ATOM 889 CB LEU A 56 8.523 3.504 -0.566 1.00 0.60 C ATOM 890 CG LEU A 56 7.377 2.755 -1.264 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.921 1.874 -2.400 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.858 1.776 -0.196 1.00 1.03 C ATOM 0 H LEU A 56 8.511 5.430 -2.006 1.00 0.58 H new ATOM 0 HA LEU A 56 7.415 5.002 0.605 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.346 3.562 -1.278 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.859 2.875 0.258 1.00 0.60 H new ATOM 0 HG LEU A 56 6.640 3.453 -1.660 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.095 1.351 -2.883 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.432 2.499 -3.132 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.622 1.146 -1.992 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.033 1.194 -0.606 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.662 1.104 0.103 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.511 2.336 0.673 1.00 1.03 H new ATOM 904 N SER A 57 10.549 5.831 0.326 1.00 0.68 N ATOM 905 CA SER A 57 11.682 6.318 1.050 1.00 0.75 C ATOM 906 C SER A 57 11.329 7.422 1.985 1.00 0.76 C ATOM 907 O SER A 57 11.848 7.439 3.100 1.00 0.84 O ATOM 908 CB SER A 57 12.858 6.737 0.153 1.00 0.84 C ATOM 909 OG SER A 57 12.393 7.650 -0.830 1.00 1.19 O ATOM 0 H SER A 57 10.631 5.972 -0.681 1.00 0.68 H new ATOM 0 HA SER A 57 12.018 5.463 1.637 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.642 7.198 0.753 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.296 5.861 -0.325 1.00 0.84 H new ATOM 0 HG SER A 57 13.140 7.921 -1.404 1.00 1.19 H new ATOM 915 N ASP A 58 10.459 8.380 1.620 1.00 0.75 N ATOM 916 CA ASP A 58 9.950 9.391 2.495 1.00 0.78 C ATOM 917 C ASP A 58 9.313 8.970 3.775 1.00 0.77 C ATOM 918 O ASP A 58 9.492 9.698 4.750 1.00 0.86 O ATOM 919 CB ASP A 58 9.132 10.441 1.724 1.00 0.83 C ATOM 920 CG ASP A 58 9.210 11.766 2.468 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.280 12.407 2.291 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.185 12.185 3.071 1.00 1.86 O ATOM 0 H ASP A 58 10.093 8.454 0.671 1.00 0.75 H new ATOM 0 HA ASP A 58 10.860 9.853 2.878 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.520 10.553 0.712 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.094 10.119 1.634 1.00 0.83 H new ATOM 927 N TYR A 59 8.513 7.890 3.731 1.00 0.72 N ATOM 928 CA TYR A 59 7.976 7.290 4.913 1.00 0.73 C ATOM 929 C TYR A 59 8.897 6.395 5.670 1.00 0.76 C ATOM 930 O TYR A 59 8.540 6.070 6.801 1.00 0.89 O ATOM 931 CB TYR A 59 6.666 6.560 4.575 1.00 0.73 C ATOM 932 CG TYR A 59 5.527 7.482 4.308 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.003 8.248 5.323 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.955 7.527 3.059 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.955 9.094 5.044 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.871 8.335 2.804 1.00 0.70 C ATOM 937 CZ TYR A 59 3.330 9.086 3.820 1.00 0.74 C ATOM 938 OH TYR A 59 2.157 9.853 3.654 1.00 0.86 O ATOM 0 H TYR A 59 8.235 7.427 2.865 1.00 0.72 H new ATOM 0 HA TYR A 59 7.797 8.121 5.595 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.826 5.929 3.701 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.403 5.899 5.401 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.408 8.186 6.322 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.363 6.919 2.265 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.615 9.781 5.805 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.448 8.379 1.811 1.00 0.70 H new ATOM 0 HH TYR A 59 2.398 10.792 3.508 1.00 0.86 H new ATOM 948 N ASN A 60 10.071 6.075 5.100 1.00 0.74 N ATOM 949 CA ASN A 60 11.115 5.213 5.562 1.00 0.79 C ATOM 950 C ASN A 60 10.636 3.804 5.484 1.00 0.75 C ATOM 951 O ASN A 60 10.440 3.154 6.510 1.00 0.86 O ATOM 952 CB ASN A 60 11.724 5.475 6.950 1.00 0.95 C ATOM 953 CG ASN A 60 12.225 6.911 6.986 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.455 7.724 7.496 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.346 7.261 6.302 1.00 1.83 N ATOM 0 H ASN A 60 10.317 6.476 4.195 1.00 0.74 H new ATOM 0 HA ASN A 60 11.947 5.432 4.893 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.979 5.313 7.729 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.543 4.782 7.143 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.588 8.245 6.189 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.945 6.539 5.902 1.00 1.83 H new ATOM 962 N ILE A 61 10.364 3.198 4.314 1.00 0.67 N ATOM 963 CA ILE A 61 9.867 1.865 4.174 1.00 0.65 C ATOM 964 C ILE A 61 10.915 0.959 3.625 1.00 0.66 C ATOM 965 O ILE A 61 11.466 1.155 2.543 1.00 0.75 O ATOM 966 CB ILE A 61 8.608 1.735 3.370 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.511 2.554 4.072 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.222 0.253 3.239 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.315 2.910 3.190 1.00 0.82 C ATOM 0 H ILE A 61 10.499 3.665 3.417 1.00 0.67 H new ATOM 0 HA ILE A 61 9.601 1.566 5.188 1.00 0.65 H new ATOM 0 HB ILE A 61 8.747 2.119 2.360 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.154 1.992 4.935 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.952 3.476 4.452 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.307 0.166 2.654 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.025 -0.289 2.740 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.060 -0.170 4.231 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.594 3.487 3.770 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.653 3.502 2.340 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.843 1.996 2.831 1.00 0.82 H new ATOM 981 N GLN A 62 11.190 -0.127 4.369 1.00 0.67 N ATOM 982 CA GLN A 62 12.181 -1.113 4.066 1.00 0.70 C ATOM 983 C GLN A 62 11.645 -2.425 3.606 1.00 0.62 C ATOM 984 O GLN A 62 10.456 -2.552 3.317 1.00 0.64 O ATOM 985 CB GLN A 62 13.080 -1.276 5.303 1.00 0.85 C ATOM 986 CG GLN A 62 13.806 -0.047 5.854 1.00 1.27 C ATOM 987 CD GLN A 62 14.481 -0.288 7.197 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.341 0.629 8.005 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.261 -1.395 7.323 1.00 2.16 N ATOM 0 H GLN A 62 10.690 -0.329 5.235 1.00 0.67 H new ATOM 0 HA GLN A 62 12.748 -0.753 3.208 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.466 -1.684 6.106 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.834 -2.026 5.066 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.557 0.275 5.132 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.092 0.770 5.957 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.289 -2.087 6.574 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.818 -1.533 8.166 1.00 2.16 H new ATOM 998 N LYS A 63 12.479 -3.462 3.413 1.00 0.64 N ATOM 999 CA LYS A 63 11.999 -4.757 3.039 1.00 0.62 C ATOM 1000 C LYS A 63 11.273 -5.449 4.140 1.00 0.59 C ATOM 1001 O LYS A 63 11.522 -5.302 5.335 1.00 0.66 O ATOM 1002 CB LYS A 63 13.219 -5.613 2.658 1.00 0.74 C ATOM 1003 CG LYS A 63 14.051 -6.238 3.780 1.00 0.89 C ATOM 1004 CD LYS A 63 15.421 -6.684 3.266 1.00 1.11 C ATOM 1005 CE LYS A 63 15.310 -7.761 2.185 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.633 -8.163 1.661 1.00 2.12 N ATOM 0 H LYS A 63 13.492 -3.403 3.517 1.00 0.64 H new ATOM 0 HA LYS A 63 11.297 -4.630 2.215 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.869 -6.421 2.015 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.885 -4.993 2.058 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.179 -5.517 4.587 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.520 -7.093 4.198 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.955 -5.822 2.865 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.013 -7.066 4.098 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.803 -8.634 2.595 1.00 1.47 H new ATOM 0 HE3 LYS A 63 14.694 -7.390 1.366 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.510 -8.894 0.932 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.108 -7.336 1.246 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.213 -8.542 2.437 1.00 2.12 H new ATOM 1020 N GLU A 64 10.260 -6.213 3.696 1.00 0.57 N ATOM 1021 CA GLU A 64 9.532 -7.219 4.405 1.00 0.58 C ATOM 1022 C GLU A 64 8.513 -6.638 5.326 1.00 0.56 C ATOM 1023 O GLU A 64 8.034 -7.233 6.290 1.00 0.70 O ATOM 1024 CB GLU A 64 10.412 -8.354 4.955 1.00 0.72 C ATOM 1025 CG GLU A 64 10.985 -9.182 3.804 1.00 0.96 C ATOM 1026 CD GLU A 64 11.504 -10.530 4.287 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.883 -11.235 5.126 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.593 -10.897 3.770 1.00 1.69 O ATOM 0 H GLU A 64 9.917 -6.114 2.740 1.00 0.57 H new ATOM 0 HA GLU A 64 8.927 -7.759 3.676 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.223 -7.938 5.553 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.825 -8.992 5.615 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.215 -9.338 3.048 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.794 -8.630 3.326 1.00 0.96 H new ATOM 1035 N SER A 65 8.269 -5.342 5.065 1.00 0.51 N ATOM 1036 CA SER A 65 7.491 -4.597 6.007 1.00 0.51 C ATOM 1037 C SER A 65 6.039 -4.752 5.714 1.00 0.43 C ATOM 1038 O SER A 65 5.676 -4.847 4.543 1.00 0.50 O ATOM 1039 CB SER A 65 7.814 -3.106 5.820 1.00 0.65 C ATOM 1040 OG SER A 65 9.187 -2.880 6.109 1.00 1.04 O ATOM 0 H SER A 65 8.591 -4.829 4.245 1.00 0.51 H new ATOM 0 HA SER A 65 7.718 -4.952 7.012 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.591 -2.800 4.798 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.189 -2.502 6.477 1.00 0.65 H new ATOM 0 HG SER A 65 9.680 -2.748 5.272 1.00 1.04 H new ATOM 1046 N THR A 66 5.121 -4.773 6.697 1.00 0.45 N ATOM 1047 CA THR A 66 3.709 -4.905 6.512 1.00 0.45 C ATOM 1048 C THR A 66 2.938 -3.632 6.437 1.00 0.43 C ATOM 1049 O THR A 66 2.809 -2.865 7.391 1.00 0.58 O ATOM 1050 CB THR A 66 2.969 -5.786 7.474 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.660 -7.021 7.592 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.522 -6.124 7.079 1.00 0.78 C ATOM 0 H THR A 66 5.381 -4.693 7.680 1.00 0.45 H new ATOM 0 HA THR A 66 3.741 -5.391 5.537 1.00 0.45 H new ATOM 0 HB THR A 66 2.925 -5.215 8.401 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.184 -7.603 8.221 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.077 -6.765 7.840 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.943 -5.204 6.996 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.518 -6.643 6.120 1.00 0.78 H new ATOM 1060 N LEU A 67 2.410 -3.301 5.245 1.00 0.38 N ATOM 1061 CA LEU A 67 1.524 -2.190 5.092 1.00 0.38 C ATOM 1062 C LEU A 67 0.119 -2.613 5.353 1.00 0.37 C ATOM 1063 O LEU A 67 -0.260 -3.744 5.056 1.00 0.50 O ATOM 1064 CB LEU A 67 1.539 -1.532 3.702 1.00 0.46 C ATOM 1065 CG LEU A 67 2.792 -0.706 3.363 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.144 -1.399 3.605 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.715 -0.182 1.919 1.00 1.31 C ATOM 0 H LEU A 67 2.599 -3.808 4.380 1.00 0.38 H new ATOM 0 HA LEU A 67 1.887 -1.456 5.812 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.428 -2.313 2.950 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.667 -0.884 3.619 1.00 0.46 H new ATOM 0 HG LEU A 67 2.774 0.117 4.077 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.954 -0.723 3.331 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.233 -1.664 4.658 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.204 -2.302 2.997 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.609 0.400 1.695 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.648 -1.024 1.230 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.833 0.449 1.808 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.764 -1.715 5.826 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.118 -2.087 6.097 1.00 0.37 C ATOM 1081 C HIS A 68 -3.120 -1.514 5.154 1.00 0.35 C ATOM 1082 O HIS A 68 -3.486 -0.345 5.271 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.481 -1.645 7.525 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.705 -2.218 8.674 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.981 -1.453 9.566 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.714 -3.504 9.117 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.678 -2.311 10.575 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.046 -3.554 10.323 1.00 1.51 N ATOM 0 H HIS A 68 -0.543 -0.738 6.020 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.163 -3.169 5.974 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.386 -0.560 7.570 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.533 -1.880 7.687 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.167 -4.343 8.611 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.187 -2.008 11.488 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.873 -4.378 10.899 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.620 -2.265 4.158 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.473 -1.756 3.129 1.00 0.38 C ATOM 1098 C LEU A 69 -5.877 -1.770 3.629 1.00 0.41 C ATOM 1099 O LEU A 69 -6.448 -2.832 3.875 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.527 -2.734 1.944 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.592 -2.465 0.866 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.288 -1.151 0.126 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.510 -3.505 -0.263 1.00 1.14 C ATOM 0 H LEU A 69 -3.424 -3.262 4.065 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.099 -0.771 2.850 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.550 -2.737 1.462 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.690 -3.737 2.339 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.549 -2.468 1.389 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.051 -0.976 -0.633 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.287 -0.325 0.837 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.310 -1.220 -0.351 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.274 -3.291 -1.011 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.525 -3.461 -0.727 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.673 -4.501 0.148 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.470 -0.571 3.762 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.834 -0.338 4.121 1.00 0.56 C ATOM 1117 C VAL A 70 -8.616 0.140 2.946 1.00 0.55 C ATOM 1118 O VAL A 70 -8.047 0.759 2.047 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.037 0.505 5.346 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.084 -0.032 6.426 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.681 1.984 5.119 1.00 0.97 C ATOM 0 H VAL A 70 -5.958 0.298 3.607 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.230 -1.308 4.422 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.089 0.451 5.625 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.199 0.555 7.337 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.321 -1.075 6.634 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.055 0.043 6.074 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.848 2.544 6.039 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.633 2.066 4.829 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.309 2.392 4.327 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.941 -0.070 2.850 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.621 0.434 1.698 1.00 0.84 C ATOM 1133 C LEU A 71 -11.695 1.352 2.169 1.00 0.85 C ATOM 1134 O LEU A 71 -12.325 1.133 3.201 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.226 -0.664 0.807 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.298 -1.667 0.099 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.129 -2.583 -0.816 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.200 -1.004 -0.751 1.00 2.78 C ATOM 0 H LEU A 71 -10.518 -0.563 3.532 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.889 0.950 1.076 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.918 -1.239 1.423 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.819 -0.169 0.038 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.803 -2.229 0.891 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.470 -3.292 -1.316 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.861 -3.127 -0.219 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.646 -1.980 -1.562 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.587 -1.774 -1.218 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.660 -0.388 -1.524 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.574 -0.379 -0.114 1.00 2.78 H new