USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 760 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 36 MET CE :methyl 175:sc= -0.341 (180deg=-0.365) USER MOD Set 1.2: A 51 MET CE :methyl -151:sc= -2.15 (180deg=-4.41!) USER MOD Set 2.1: A 1 ALA N :NH3+ 178:sc= 0.614 (180deg=0) USER MOD Set 2.2: A 3 GLN : amide:sc= 0.563 K(o=1.2,f=-0.27) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0.369 USER MOD Single : A 8 GLN : amide:sc= 1.15 K(o=1.2,f=-0.051) USER MOD Single : A 13 LYS NZ :NH3+ 130:sc= 0.217! (180deg=-0.38) USER MOD Single : A 17 SER OG : rot 75:sc= 1.06 USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 2.44 (180deg=-0.128) USER MOD Single : A 26 THR OG1 : rot 38:sc= 1.18 USER MOD Single : A 28 THR OG1 : rot -20:sc= 1.27 USER MOD Single : A 29 THR OG1 : rot -75:sc= 0.167 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.14 (180deg=1.01) USER MOD Single : A 34 THR OG1 : rot -87:sc= -0.424! USER MOD Single : A 38 SER OG : rot 78:sc= 1.18 USER MOD Single : A 41 GLN : amide:sc= 1.12 K(o=1.1,f=-9.3!) USER MOD Single : A 42 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.68) USER MOD Single : A 44 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.955 K(o=0.96,f=-6.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 71 MET CE :methyl 168:sc= -3! (180deg=-3.63!) USER MOD Single : A 72 MET CE :methyl 180:sc= -0.596 (180deg=-0.596) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.56 (180deg=1.51) USER MOD Single : A 76 MET CE :methyl 161:sc= -0.0372 (180deg=-0.332) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : B 290 ASN : amide:sc= -0.92 K(o=-0.92,f=-3.3!) USER MOD Single : B 294 SER OG : rot 180:sc= 0 USER MOD Single : B 297 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 299 LYS NZ :NH3+ 161:sc= -0.301 (180deg=-1.3!) USER MOD Single : B 301 SER OG : rot 69:sc= 1.1 USER MOD Single : B 302 LYS NZ :NH3+ -152:sc= 0.929 (180deg=-0.0795) USER MOD Single : B 303 LYS NZ :NH3+ 166:sc= 2.2 (180deg=1.03) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : B 305 SER OG : rot 77:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 23.063 -17.227 -5.802 1.00 2.58 N ATOM 2 CA ALA A 1 22.887 -15.805 -6.168 1.00 2.36 C ATOM 3 C ALA A 1 21.592 -15.266 -5.576 1.00 2.09 C ATOM 4 O ALA A 1 20.825 -16.013 -4.966 1.00 2.15 O ATOM 5 CB ALA A 1 22.904 -15.634 -7.678 1.00 2.57 C ATOM 0 H1 ALA A 1 23.933 -17.593 -6.240 1.00 2.58 H new ATOM 0 H2 ALA A 1 23.133 -17.313 -4.768 1.00 2.58 H new ATOM 0 H3 ALA A 1 22.247 -17.776 -6.141 1.00 2.58 H new ATOM 0 HA ALA A 1 23.719 -15.234 -5.756 1.00 2.36 H new ATOM 0 HB1 ALA A 1 22.773 -14.581 -7.926 1.00 2.57 H new ATOM 0 HB2 ALA A 1 23.858 -15.984 -8.073 1.00 2.57 H new ATOM 0 HB3 ALA A 1 22.094 -16.214 -8.119 1.00 2.57 H new ATOM 13 N ASP A 2 21.338 -13.978 -5.759 1.00 1.93 N ATOM 14 CA ASP A 2 20.130 -13.368 -5.218 1.00 1.85 C ATOM 15 C ASP A 2 18.919 -13.673 -6.084 1.00 1.77 C ATOM 16 O ASP A 2 18.394 -12.801 -6.777 1.00 2.06 O ATOM 17 CB ASP A 2 20.300 -11.857 -5.080 1.00 2.06 C ATOM 18 CG ASP A 2 20.357 -11.429 -3.632 1.00 2.70 C ATOM 19 OD1 ASP A 2 19.682 -12.061 -2.797 1.00 3.47 O ATOM 20 OD2 ASP A 2 21.090 -10.465 -3.322 1.00 2.98 O ATOM 0 H ASP A 2 21.945 -13.340 -6.273 1.00 1.93 H new ATOM 0 HA ASP A 2 19.964 -13.798 -4.230 1.00 1.85 H new ATOM 0 HB2 ASP A 2 21.213 -11.546 -5.587 1.00 2.06 H new ATOM 0 HB3 ASP A 2 19.472 -11.351 -5.576 1.00 2.06 H new ATOM 25 N GLN A 3 18.492 -14.919 -6.057 1.00 1.60 N ATOM 26 CA GLN A 3 17.342 -15.345 -6.829 1.00 1.62 C ATOM 27 C GLN A 3 16.136 -15.468 -5.915 1.00 1.52 C ATOM 28 O GLN A 3 15.097 -14.851 -6.147 1.00 1.55 O ATOM 29 CB GLN A 3 17.615 -16.688 -7.508 1.00 1.75 C ATOM 30 CG GLN A 3 18.954 -16.748 -8.232 1.00 2.06 C ATOM 31 CD GLN A 3 19.718 -18.026 -7.950 1.00 2.43 C ATOM 32 OE1 GLN A 3 20.511 -18.095 -7.011 1.00 2.68 O ATOM 33 NE2 GLN A 3 19.506 -19.036 -8.775 1.00 2.95 N ATOM 0 H GLN A 3 18.927 -15.659 -5.505 1.00 1.60 H new ATOM 0 HA GLN A 3 17.143 -14.602 -7.601 1.00 1.62 H new ATOM 0 HB2 GLN A 3 17.582 -17.478 -6.757 1.00 1.75 H new ATOM 0 HB3 GLN A 3 16.817 -16.893 -8.221 1.00 1.75 H new ATOM 0 HG2 GLN A 3 18.786 -16.660 -9.305 1.00 2.06 H new ATOM 0 HG3 GLN A 3 19.562 -15.894 -7.934 1.00 2.06 H new ATOM 0 HE21 GLN A 3 18.840 -18.938 -9.541 1.00 2.95 H new ATOM 0 HE22 GLN A 3 20.008 -19.914 -8.646 1.00 2.95 H new ATOM 42 N LEU A 4 16.295 -16.256 -4.864 1.00 1.47 N ATOM 43 CA LEU A 4 15.227 -16.466 -3.905 1.00 1.42 C ATOM 44 C LEU A 4 15.415 -15.556 -2.696 1.00 1.35 C ATOM 45 O LEU A 4 15.878 -15.989 -1.640 1.00 1.37 O ATOM 46 CB LEU A 4 15.172 -17.931 -3.470 1.00 1.54 C ATOM 47 CG LEU A 4 14.731 -18.914 -4.555 1.00 1.78 C ATOM 48 CD1 LEU A 4 14.803 -20.354 -4.055 1.00 1.97 C ATOM 49 CD2 LEU A 4 13.324 -18.567 -5.029 1.00 1.88 C ATOM 0 H LEU A 4 17.156 -16.761 -4.655 1.00 1.47 H new ATOM 0 HA LEU A 4 14.280 -16.217 -4.384 1.00 1.42 H new ATOM 0 HB2 LEU A 4 16.159 -18.226 -3.114 1.00 1.54 H new ATOM 0 HB3 LEU A 4 14.490 -18.017 -2.624 1.00 1.54 H new ATOM 0 HG LEU A 4 15.414 -18.829 -5.400 1.00 1.78 H new ATOM 0 HD11 LEU A 4 14.484 -21.031 -4.848 1.00 1.97 H new ATOM 0 HD12 LEU A 4 15.828 -20.589 -3.768 1.00 1.97 H new ATOM 0 HD13 LEU A 4 14.149 -20.472 -3.191 1.00 1.97 H new ATOM 0 HD21 LEU A 4 13.016 -19.271 -5.802 1.00 1.88 H new ATOM 0 HD22 LEU A 4 12.632 -18.625 -4.189 1.00 1.88 H new ATOM 0 HD23 LEU A 4 13.316 -17.556 -5.436 1.00 1.88 H new ATOM 61 N THR A 5 15.077 -14.288 -2.879 1.00 1.33 N ATOM 62 CA THR A 5 15.200 -13.299 -1.826 1.00 1.31 C ATOM 63 C THR A 5 14.085 -13.457 -0.795 1.00 1.19 C ATOM 64 O THR A 5 14.288 -14.065 0.257 1.00 1.18 O ATOM 65 CB THR A 5 15.165 -11.883 -2.425 1.00 1.42 C ATOM 66 OG1 THR A 5 14.121 -11.805 -3.404 1.00 1.68 O ATOM 67 CG2 THR A 5 16.486 -11.532 -3.085 1.00 1.63 C ATOM 0 H THR A 5 14.712 -13.920 -3.758 1.00 1.33 H new ATOM 0 HA THR A 5 16.155 -13.453 -1.324 1.00 1.31 H new ATOM 0 HB THR A 5 14.982 -11.177 -1.615 1.00 1.42 H new ATOM 0 HG1 THR A 5 14.288 -11.045 -4.000 1.00 1.68 H new ATOM 0 HG21 THR A 5 16.430 -10.525 -3.499 1.00 1.63 H new ATOM 0 HG22 THR A 5 17.285 -11.576 -2.345 1.00 1.63 H new ATOM 0 HG23 THR A 5 16.693 -12.242 -3.886 1.00 1.63 H new ATOM 75 N GLU A 6 12.917 -12.895 -1.111 1.00 1.16 N ATOM 76 CA GLU A 6 11.742 -12.973 -0.249 1.00 1.10 C ATOM 77 C GLU A 6 12.085 -12.597 1.193 1.00 1.10 C ATOM 78 O GLU A 6 11.703 -13.283 2.137 1.00 1.15 O ATOM 79 CB GLU A 6 11.114 -14.374 -0.317 1.00 1.08 C ATOM 80 CG GLU A 6 10.626 -14.751 -1.709 1.00 1.08 C ATOM 81 CD GLU A 6 9.291 -14.116 -2.050 1.00 1.03 C ATOM 82 OE1 GLU A 6 9.101 -12.915 -1.772 1.00 1.31 O ATOM 83 OE2 GLU A 6 8.416 -14.823 -2.596 1.00 1.44 O ATOM 0 H GLU A 6 12.762 -12.373 -1.973 1.00 1.16 H new ATOM 0 HA GLU A 6 11.010 -12.251 -0.612 1.00 1.10 H new ATOM 0 HB2 GLU A 6 11.847 -15.109 0.014 1.00 1.08 H new ATOM 0 HB3 GLU A 6 10.277 -14.423 0.379 1.00 1.08 H new ATOM 0 HG2 GLU A 6 11.369 -14.445 -2.446 1.00 1.08 H new ATOM 0 HG3 GLU A 6 10.537 -15.835 -1.778 1.00 1.08 H new ATOM 90 N GLU A 7 12.802 -11.495 1.351 1.00 1.09 N ATOM 91 CA GLU A 7 13.193 -11.026 2.671 1.00 1.13 C ATOM 92 C GLU A 7 12.488 -9.710 2.986 1.00 1.08 C ATOM 93 O GLU A 7 11.784 -9.590 3.988 1.00 1.13 O ATOM 94 CB GLU A 7 14.716 -10.866 2.768 1.00 1.25 C ATOM 95 CG GLU A 7 15.436 -10.899 1.421 1.00 1.28 C ATOM 96 CD GLU A 7 15.227 -9.638 0.609 1.00 1.24 C ATOM 97 OE1 GLU A 7 14.147 -9.501 -0.009 1.00 1.16 O ATOM 98 OE2 GLU A 7 16.134 -8.779 0.597 1.00 1.35 O ATOM 0 H GLU A 7 13.125 -10.909 0.581 1.00 1.09 H new ATOM 0 HA GLU A 7 12.891 -11.770 3.408 1.00 1.13 H new ATOM 0 HB2 GLU A 7 14.940 -9.922 3.264 1.00 1.25 H new ATOM 0 HB3 GLU A 7 15.114 -11.660 3.400 1.00 1.25 H new ATOM 0 HG2 GLU A 7 16.503 -11.044 1.589 1.00 1.28 H new ATOM 0 HG3 GLU A 7 15.084 -11.757 0.848 1.00 1.28 H new ATOM 105 N GLN A 8 12.654 -8.737 2.101 1.00 1.08 N ATOM 106 CA GLN A 8 12.039 -7.432 2.267 1.00 1.06 C ATOM 107 C GLN A 8 10.721 -7.390 1.506 1.00 0.96 C ATOM 108 O GLN A 8 9.761 -6.738 1.919 1.00 0.95 O ATOM 109 CB GLN A 8 12.967 -6.329 1.750 1.00 1.17 C ATOM 110 CG GLN A 8 14.293 -6.234 2.481 1.00 1.31 C ATOM 111 CD GLN A 8 15.306 -5.405 1.720 1.00 1.48 C ATOM 112 OE1 GLN A 8 15.341 -4.179 1.837 1.00 1.56 O ATOM 113 NE2 GLN A 8 16.142 -6.071 0.937 1.00 1.61 N ATOM 0 H GLN A 8 13.215 -8.831 1.254 1.00 1.08 H new ATOM 0 HA GLN A 8 11.856 -7.264 3.328 1.00 1.06 H new ATOM 0 HB2 GLN A 8 13.161 -6.500 0.691 1.00 1.17 H new ATOM 0 HB3 GLN A 8 12.453 -5.371 1.829 1.00 1.17 H new ATOM 0 HG2 GLN A 8 14.133 -5.795 3.466 1.00 1.31 H new ATOM 0 HG3 GLN A 8 14.691 -7.236 2.640 1.00 1.31 H new ATOM 0 HE21 GLN A 8 16.078 -7.087 0.870 1.00 1.61 H new ATOM 0 HE22 GLN A 8 16.850 -5.568 0.402 1.00 1.61 H new ATOM 122 N ILE A 9 10.687 -8.111 0.389 1.00 0.93 N ATOM 123 CA ILE A 9 9.500 -8.181 -0.456 1.00 0.90 C ATOM 124 C ILE A 9 8.301 -8.703 0.327 1.00 0.82 C ATOM 125 O ILE A 9 7.157 -8.383 0.013 1.00 0.80 O ATOM 126 CB ILE A 9 9.721 -9.071 -1.698 1.00 0.96 C ATOM 127 CG1 ILE A 9 11.142 -8.900 -2.242 1.00 1.15 C ATOM 128 CG2 ILE A 9 8.706 -8.723 -2.778 1.00 1.14 C ATOM 129 CD1 ILE A 9 11.513 -9.914 -3.301 1.00 1.23 C ATOM 0 H ILE A 9 11.476 -8.659 0.046 1.00 0.93 H new ATOM 0 HA ILE A 9 9.301 -7.164 -0.793 1.00 0.90 H new ATOM 0 HB ILE A 9 9.587 -10.112 -1.403 1.00 0.96 H new ATOM 0 HG12 ILE A 9 11.244 -7.898 -2.659 1.00 1.15 H new ATOM 0 HG13 ILE A 9 11.849 -8.975 -1.416 1.00 1.15 H new ATOM 0 HG21 ILE A 9 8.871 -9.356 -3.650 1.00 1.14 H new ATOM 0 HG22 ILE A 9 7.698 -8.886 -2.396 1.00 1.14 H new ATOM 0 HG23 ILE A 9 8.822 -7.677 -3.062 1.00 1.14 H new ATOM 0 HD11 ILE A 9 12.533 -9.731 -3.639 1.00 1.23 H new ATOM 0 HD12 ILE A 9 11.444 -10.918 -2.883 1.00 1.23 H new ATOM 0 HD13 ILE A 9 10.829 -9.825 -4.145 1.00 1.23 H new ATOM 141 N ALA A 10 8.576 -9.495 1.358 1.00 0.85 N ATOM 142 CA ALA A 10 7.522 -10.055 2.196 1.00 0.85 C ATOM 143 C ALA A 10 6.755 -8.948 2.917 1.00 0.75 C ATOM 144 O ALA A 10 5.553 -9.061 3.157 1.00 0.79 O ATOM 145 CB ALA A 10 8.116 -11.030 3.197 1.00 0.98 C ATOM 0 H ALA A 10 9.521 -9.764 1.633 1.00 0.85 H new ATOM 0 HA ALA A 10 6.820 -10.590 1.557 1.00 0.85 H new ATOM 0 HB1 ALA A 10 7.321 -11.443 3.818 1.00 0.98 H new ATOM 0 HB2 ALA A 10 8.617 -11.838 2.664 1.00 0.98 H new ATOM 0 HB3 ALA A 10 8.837 -10.510 3.828 1.00 0.98 H new ATOM 151 N GLU A 11 7.451 -7.867 3.241 1.00 0.69 N ATOM 152 CA GLU A 11 6.832 -6.745 3.923 1.00 0.64 C ATOM 153 C GLU A 11 6.093 -5.853 2.933 1.00 0.63 C ATOM 154 O GLU A 11 5.128 -5.168 3.294 1.00 0.64 O ATOM 155 CB GLU A 11 7.889 -5.934 4.656 1.00 0.69 C ATOM 156 CG GLU A 11 7.715 -5.932 6.163 1.00 0.59 C ATOM 157 CD GLU A 11 6.435 -5.250 6.595 1.00 0.65 C ATOM 158 OE1 GLU A 11 6.438 -4.007 6.736 1.00 1.18 O ATOM 159 OE2 GLU A 11 5.412 -5.946 6.769 1.00 0.81 O ATOM 0 H GLU A 11 8.444 -7.746 3.042 1.00 0.69 H new ATOM 0 HA GLU A 11 6.113 -7.136 4.643 1.00 0.64 H new ATOM 0 HB2 GLU A 11 8.874 -6.332 4.413 1.00 0.69 H new ATOM 0 HB3 GLU A 11 7.862 -4.906 4.294 1.00 0.69 H new ATOM 0 HG2 GLU A 11 7.717 -6.959 6.528 1.00 0.59 H new ATOM 0 HG3 GLU A 11 8.565 -5.429 6.624 1.00 0.59 H new ATOM 166 N PHE A 12 6.566 -5.850 1.691 1.00 0.64 N ATOM 167 CA PHE A 12 5.941 -5.064 0.636 1.00 0.67 C ATOM 168 C PHE A 12 4.616 -5.700 0.235 1.00 0.66 C ATOM 169 O PHE A 12 3.635 -5.008 -0.043 1.00 0.68 O ATOM 170 CB PHE A 12 6.877 -4.945 -0.575 1.00 0.75 C ATOM 171 CG PHE A 12 8.102 -4.106 -0.320 1.00 0.76 C ATOM 172 CD1 PHE A 12 8.021 -2.953 0.445 1.00 0.98 C ATOM 173 CD2 PHE A 12 9.331 -4.464 -0.854 1.00 1.23 C ATOM 174 CE1 PHE A 12 9.142 -2.176 0.673 1.00 1.03 C ATOM 175 CE2 PHE A 12 10.457 -3.691 -0.626 1.00 1.27 C ATOM 176 CZ PHE A 12 10.361 -2.545 0.139 1.00 0.88 C ATOM 0 H PHE A 12 7.381 -6.384 1.391 1.00 0.64 H new ATOM 0 HA PHE A 12 5.748 -4.059 1.011 1.00 0.67 H new ATOM 0 HB2 PHE A 12 7.190 -5.944 -0.880 1.00 0.75 H new ATOM 0 HB3 PHE A 12 6.322 -4.516 -1.410 1.00 0.75 H new ATOM 0 HD1 PHE A 12 7.072 -2.658 0.868 1.00 0.98 H new ATOM 0 HD2 PHE A 12 9.411 -5.357 -1.456 1.00 1.23 H new ATOM 0 HE1 PHE A 12 9.064 -1.279 1.270 1.00 1.03 H new ATOM 0 HE2 PHE A 12 11.408 -3.984 -1.045 1.00 1.27 H new ATOM 0 HZ PHE A 12 11.237 -1.939 0.319 1.00 0.88 H new ATOM 186 N LYS A 13 4.587 -7.025 0.239 1.00 0.65 N ATOM 187 CA LYS A 13 3.380 -7.761 -0.104 1.00 0.66 C ATOM 188 C LYS A 13 2.311 -7.551 0.967 1.00 0.61 C ATOM 189 O LYS A 13 1.112 -7.631 0.694 1.00 0.66 O ATOM 190 CB LYS A 13 3.694 -9.249 -0.261 1.00 0.71 C ATOM 191 CG LYS A 13 4.633 -9.549 -1.415 1.00 0.80 C ATOM 192 CD LYS A 13 4.967 -11.022 -1.503 1.00 0.86 C ATOM 193 CE LYS A 13 6.141 -11.250 -2.436 1.00 0.97 C ATOM 194 NZ LYS A 13 6.463 -12.686 -2.592 1.00 0.99 N ATOM 0 H LYS A 13 5.387 -7.612 0.476 1.00 0.65 H new ATOM 0 HA LYS A 13 2.998 -7.386 -1.053 1.00 0.66 H new ATOM 0 HB2 LYS A 13 4.137 -9.619 0.664 1.00 0.71 H new ATOM 0 HB3 LYS A 13 2.763 -9.796 -0.409 1.00 0.71 H new ATOM 0 HG2 LYS A 13 4.175 -9.224 -2.349 1.00 0.80 H new ATOM 0 HG3 LYS A 13 5.552 -8.975 -1.294 1.00 0.80 H new ATOM 0 HD2 LYS A 13 5.204 -11.406 -0.511 1.00 0.86 H new ATOM 0 HD3 LYS A 13 4.099 -11.576 -1.860 1.00 0.86 H new ATOM 0 HE2 LYS A 13 5.915 -10.822 -3.413 1.00 0.97 H new ATOM 0 HE3 LYS A 13 7.015 -10.723 -2.052 1.00 0.97 H new ATOM 0 HZ1 LYS A 13 6.538 -12.917 -3.603 1.00 0.99 H new ATOM 0 HZ2 LYS A 13 7.367 -12.892 -2.122 1.00 0.99 H new ATOM 0 HZ3 LYS A 13 5.710 -13.259 -2.161 1.00 0.99 H new ATOM 208 N GLU A 14 2.766 -7.263 2.182 1.00 0.57 N ATOM 209 CA GLU A 14 1.858 -7.013 3.296 1.00 0.54 C ATOM 210 C GLU A 14 0.976 -5.813 2.987 1.00 0.50 C ATOM 211 O GLU A 14 -0.186 -5.760 3.380 1.00 0.49 O ATOM 212 CB GLU A 14 2.626 -6.756 4.585 1.00 0.52 C ATOM 213 CG GLU A 14 1.827 -7.077 5.829 1.00 0.54 C ATOM 214 CD GLU A 14 1.552 -8.553 6.008 1.00 0.62 C ATOM 215 OE1 GLU A 14 2.404 -9.247 6.600 1.00 1.29 O ATOM 216 OE2 GLU A 14 0.479 -9.013 5.572 1.00 1.28 O ATOM 0 H GLU A 14 3.756 -7.197 2.420 1.00 0.57 H new ATOM 0 HA GLU A 14 1.240 -7.901 3.432 1.00 0.54 H new ATOM 0 HB2 GLU A 14 3.538 -7.353 4.582 1.00 0.52 H new ATOM 0 HB3 GLU A 14 2.931 -5.710 4.616 1.00 0.52 H new ATOM 0 HG2 GLU A 14 2.366 -6.708 6.702 1.00 0.54 H new ATOM 0 HG3 GLU A 14 0.878 -6.541 5.790 1.00 0.54 H new ATOM 223 N ALA A 15 1.536 -4.853 2.265 1.00 0.51 N ATOM 224 CA ALA A 15 0.802 -3.656 1.901 1.00 0.52 C ATOM 225 C ALA A 15 -0.378 -4.026 1.020 1.00 0.50 C ATOM 226 O ALA A 15 -1.483 -3.542 1.215 1.00 0.51 O ATOM 227 CB ALA A 15 1.708 -2.657 1.193 1.00 0.58 C ATOM 0 H ALA A 15 2.496 -4.882 1.921 1.00 0.51 H new ATOM 0 HA ALA A 15 0.431 -3.183 2.810 1.00 0.52 H new ATOM 0 HB1 ALA A 15 1.134 -1.768 0.930 1.00 0.58 H new ATOM 0 HB2 ALA A 15 2.528 -2.377 1.854 1.00 0.58 H new ATOM 0 HB3 ALA A 15 2.111 -3.110 0.287 1.00 0.58 H new ATOM 233 N PHE A 16 -0.151 -4.943 0.094 1.00 0.50 N ATOM 234 CA PHE A 16 -1.200 -5.381 -0.820 1.00 0.53 C ATOM 235 C PHE A 16 -2.171 -6.342 -0.140 1.00 0.56 C ATOM 236 O PHE A 16 -3.098 -6.849 -0.765 1.00 0.74 O ATOM 237 CB PHE A 16 -0.571 -6.039 -2.046 1.00 0.60 C ATOM 238 CG PHE A 16 0.289 -5.102 -2.842 1.00 0.64 C ATOM 239 CD1 PHE A 16 -0.286 -4.183 -3.702 1.00 0.78 C ATOM 240 CD2 PHE A 16 1.668 -5.150 -2.739 1.00 0.87 C ATOM 241 CE1 PHE A 16 0.500 -3.323 -4.443 1.00 0.90 C ATOM 242 CE2 PHE A 16 2.460 -4.294 -3.478 1.00 0.98 C ATOM 243 CZ PHE A 16 1.875 -3.380 -4.335 1.00 0.91 C ATOM 0 H PHE A 16 0.750 -5.400 -0.047 1.00 0.50 H new ATOM 0 HA PHE A 16 -1.770 -4.505 -1.130 1.00 0.53 H new ATOM 0 HB2 PHE A 16 0.030 -6.890 -1.726 1.00 0.60 H new ATOM 0 HB3 PHE A 16 -1.361 -6.430 -2.687 1.00 0.60 H new ATOM 0 HD1 PHE A 16 -1.361 -4.138 -3.795 1.00 0.78 H new ATOM 0 HD2 PHE A 16 2.130 -5.865 -2.074 1.00 0.87 H new ATOM 0 HE1 PHE A 16 0.039 -2.606 -5.107 1.00 0.90 H new ATOM 0 HE2 PHE A 16 3.535 -4.338 -3.387 1.00 0.98 H new ATOM 0 HZ PHE A 16 2.492 -2.713 -4.918 1.00 0.91 H new ATOM 253 N SER A 17 -1.960 -6.573 1.143 1.00 0.49 N ATOM 254 CA SER A 17 -2.802 -7.475 1.903 1.00 0.54 C ATOM 255 C SER A 17 -3.529 -6.744 3.034 1.00 0.51 C ATOM 256 O SER A 17 -4.684 -7.037 3.330 1.00 0.59 O ATOM 257 CB SER A 17 -1.950 -8.609 2.473 1.00 0.62 C ATOM 258 OG SER A 17 -1.099 -9.159 1.472 1.00 0.73 O ATOM 0 H SER A 17 -1.207 -6.145 1.682 1.00 0.49 H new ATOM 0 HA SER A 17 -3.558 -7.884 1.233 1.00 0.54 H new ATOM 0 HB2 SER A 17 -1.349 -8.236 3.302 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.597 -9.389 2.874 1.00 0.62 H new ATOM 0 HG SER A 17 -0.358 -8.542 1.297 1.00 0.73 H new ATOM 264 N LEU A 18 -2.858 -5.785 3.659 1.00 0.44 N ATOM 265 CA LEU A 18 -3.461 -5.049 4.760 1.00 0.42 C ATOM 266 C LEU A 18 -4.074 -3.730 4.301 1.00 0.41 C ATOM 267 O LEU A 18 -4.921 -3.161 4.990 1.00 0.46 O ATOM 268 CB LEU A 18 -2.425 -4.794 5.854 1.00 0.42 C ATOM 269 CG LEU A 18 -1.827 -6.050 6.485 1.00 0.45 C ATOM 270 CD1 LEU A 18 -0.703 -5.694 7.454 1.00 0.47 C ATOM 271 CD2 LEU A 18 -2.916 -6.849 7.185 1.00 0.55 C ATOM 0 H LEU A 18 -1.906 -5.502 3.425 1.00 0.44 H new ATOM 0 HA LEU A 18 -4.268 -5.664 5.159 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -1.616 -4.196 5.434 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -2.888 -4.197 6.639 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.397 -6.665 5.694 1.00 0.45 H new ATOM 0 HD11 LEU A 18 -0.295 -6.606 7.889 1.00 0.47 H new ATOM 0 HD12 LEU A 18 0.084 -5.164 6.919 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -1.095 -5.057 8.247 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -2.481 -7.743 7.632 1.00 0.55 H new ATOM 0 HD22 LEU A 18 -3.371 -6.238 7.964 1.00 0.55 H new ATOM 0 HD23 LEU A 18 -3.677 -7.139 6.461 1.00 0.55 H new ATOM 283 N PHE A 19 -3.652 -3.231 3.146 1.00 0.43 N ATOM 284 CA PHE A 19 -4.184 -1.974 2.634 1.00 0.47 C ATOM 285 C PHE A 19 -5.462 -2.225 1.850 1.00 0.48 C ATOM 286 O PHE A 19 -6.503 -1.628 2.129 1.00 0.61 O ATOM 287 CB PHE A 19 -3.164 -1.271 1.734 1.00 0.52 C ATOM 288 CG PHE A 19 -3.251 0.227 1.767 1.00 0.39 C ATOM 289 CD1 PHE A 19 -3.335 0.896 2.972 1.00 0.58 C ATOM 290 CD2 PHE A 19 -3.235 0.967 0.591 1.00 0.50 C ATOM 291 CE1 PHE A 19 -3.409 2.271 3.010 1.00 0.75 C ATOM 292 CE2 PHE A 19 -3.308 2.345 0.625 1.00 0.70 C ATOM 293 CZ PHE A 19 -3.392 2.998 1.839 1.00 0.79 C ATOM 0 H PHE A 19 -2.950 -3.672 2.551 1.00 0.43 H new ATOM 0 HA PHE A 19 -4.400 -1.330 3.487 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -2.161 -1.573 2.034 1.00 0.52 H new ATOM 0 HB3 PHE A 19 -3.305 -1.610 0.708 1.00 0.52 H new ATOM 0 HD1 PHE A 19 -3.343 0.335 3.895 1.00 0.58 H new ATOM 0 HD2 PHE A 19 -3.165 0.459 -0.359 1.00 0.50 H new ATOM 0 HE1 PHE A 19 -3.481 2.781 3.960 1.00 0.75 H new ATOM 0 HE2 PHE A 19 -3.299 2.911 -0.295 1.00 0.70 H new ATOM 0 HZ PHE A 19 -3.444 4.076 1.871 1.00 0.79 H new ATOM 303 N ASP A 20 -5.369 -3.125 0.880 1.00 0.44 N ATOM 304 CA ASP A 20 -6.505 -3.470 0.033 1.00 0.45 C ATOM 305 C ASP A 20 -7.409 -4.506 0.698 1.00 0.51 C ATOM 306 O ASP A 20 -6.933 -5.411 1.383 1.00 0.58 O ATOM 307 CB ASP A 20 -6.033 -4.003 -1.321 1.00 0.45 C ATOM 308 CG ASP A 20 -7.174 -4.057 -2.309 1.00 0.46 C ATOM 309 OD1 ASP A 20 -7.667 -2.983 -2.697 1.00 0.58 O ATOM 310 OD2 ASP A 20 -7.602 -5.162 -2.688 1.00 0.59 O ATOM 0 H ASP A 20 -4.513 -3.633 0.659 1.00 0.44 H new ATOM 0 HA ASP A 20 -7.079 -2.556 -0.119 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -5.240 -3.365 -1.711 1.00 0.45 H new ATOM 0 HB3 ASP A 20 -5.608 -4.999 -1.196 1.00 0.45 H new ATOM 315 N LYS A 21 -8.716 -4.354 0.498 1.00 0.58 N ATOM 316 CA LYS A 21 -9.699 -5.273 1.067 1.00 0.71 C ATOM 317 C LYS A 21 -10.641 -5.794 -0.019 1.00 0.68 C ATOM 318 O LYS A 21 -11.414 -6.724 0.212 1.00 0.86 O ATOM 319 CB LYS A 21 -10.518 -4.589 2.168 1.00 0.82 C ATOM 320 CG LYS A 21 -9.788 -4.443 3.493 1.00 1.05 C ATOM 321 CD LYS A 21 -9.069 -3.112 3.587 1.00 1.10 C ATOM 322 CE LYS A 21 -8.227 -3.029 4.841 1.00 1.41 C ATOM 323 NZ LYS A 21 -7.272 -1.893 4.781 1.00 1.57 N ATOM 0 H LYS A 21 -9.120 -3.599 -0.056 1.00 0.58 H new ATOM 0 HA LYS A 21 -9.154 -6.111 1.502 1.00 0.71 H new ATOM 0 HB2 LYS A 21 -10.817 -3.600 1.821 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -11.432 -5.159 2.332 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -10.500 -4.532 4.314 1.00 1.05 H new ATOM 0 HG3 LYS A 21 -9.069 -5.255 3.605 1.00 1.05 H new ATOM 0 HD2 LYS A 21 -8.435 -2.976 2.711 1.00 1.10 H new ATOM 0 HD3 LYS A 21 -9.798 -2.301 3.582 1.00 1.10 H new ATOM 0 HE2 LYS A 21 -8.876 -2.915 5.709 1.00 1.41 H new ATOM 0 HE3 LYS A 21 -7.678 -3.961 4.974 1.00 1.41 H new ATOM 0 HZ1 LYS A 21 -6.375 -2.169 5.229 1.00 1.57 H new ATOM 0 HZ2 LYS A 21 -7.098 -1.638 3.788 1.00 1.57 H new ATOM 0 HZ3 LYS A 21 -7.673 -1.076 5.284 1.00 1.57 H new ATOM 337 N ASP A 22 -10.564 -5.198 -1.208 1.00 0.58 N ATOM 338 CA ASP A 22 -11.429 -5.590 -2.319 1.00 0.61 C ATOM 339 C ASP A 22 -10.907 -6.862 -2.967 1.00 0.69 C ATOM 340 O ASP A 22 -11.674 -7.766 -3.296 1.00 0.82 O ATOM 341 CB ASP A 22 -11.507 -4.487 -3.390 1.00 0.55 C ATOM 342 CG ASP A 22 -11.383 -3.087 -2.827 1.00 0.52 C ATOM 343 OD1 ASP A 22 -12.404 -2.523 -2.394 1.00 0.60 O ATOM 344 OD2 ASP A 22 -10.247 -2.540 -2.832 1.00 0.55 O ATOM 0 H ASP A 22 -9.913 -4.444 -1.426 1.00 0.58 H new ATOM 0 HA ASP A 22 -12.426 -5.757 -1.911 1.00 0.61 H new ATOM 0 HB2 ASP A 22 -10.716 -4.647 -4.123 1.00 0.55 H new ATOM 0 HB3 ASP A 22 -12.455 -4.574 -3.921 1.00 0.55 H new ATOM 349 N GLY A 23 -9.595 -6.930 -3.122 1.00 0.65 N ATOM 350 CA GLY A 23 -8.978 -8.076 -3.752 1.00 0.73 C ATOM 351 C GLY A 23 -8.293 -7.687 -5.044 1.00 0.71 C ATOM 352 O GLY A 23 -7.742 -8.533 -5.748 1.00 0.87 O ATOM 0 H GLY A 23 -8.943 -6.206 -2.820 1.00 0.65 H new ATOM 0 HA2 GLY A 23 -8.252 -8.521 -3.072 1.00 0.73 H new ATOM 0 HA3 GLY A 23 -9.734 -8.835 -3.952 1.00 0.73 H new ATOM 356 N ASP A 24 -8.337 -6.397 -5.363 1.00 0.59 N ATOM 357 CA ASP A 24 -7.707 -5.897 -6.577 1.00 0.60 C ATOM 358 C ASP A 24 -6.189 -5.909 -6.417 1.00 0.59 C ATOM 359 O ASP A 24 -5.459 -6.206 -7.364 1.00 0.74 O ATOM 360 CB ASP A 24 -8.210 -4.488 -6.936 1.00 0.58 C ATOM 361 CG ASP A 24 -8.040 -3.491 -5.809 1.00 0.48 C ATOM 362 OD1 ASP A 24 -6.918 -3.017 -5.590 1.00 0.74 O ATOM 363 OD2 ASP A 24 -9.033 -3.172 -5.126 1.00 0.61 O ATOM 0 H ASP A 24 -8.800 -5.683 -4.800 1.00 0.59 H new ATOM 0 HA ASP A 24 -7.981 -6.556 -7.400 1.00 0.60 H new ATOM 0 HB2 ASP A 24 -7.673 -4.130 -7.814 1.00 0.58 H new ATOM 0 HB3 ASP A 24 -9.264 -4.543 -7.208 1.00 0.58 H new ATOM 368 N GLY A 25 -5.723 -5.615 -5.207 1.00 0.54 N ATOM 369 CA GLY A 25 -4.295 -5.610 -4.939 1.00 0.64 C ATOM 370 C GLY A 25 -3.588 -4.437 -5.588 1.00 0.69 C ATOM 371 O GLY A 25 -2.454 -4.564 -6.053 1.00 1.30 O ATOM 0 H GLY A 25 -6.309 -5.380 -4.406 1.00 0.54 H new ATOM 0 HA2 GLY A 25 -4.131 -5.579 -3.862 1.00 0.64 H new ATOM 0 HA3 GLY A 25 -3.857 -6.540 -5.301 1.00 0.64 H new ATOM 375 N THR A 26 -4.264 -3.303 -5.629 1.00 0.46 N ATOM 376 CA THR A 26 -3.712 -2.097 -6.218 1.00 0.48 C ATOM 377 C THR A 26 -4.078 -0.885 -5.377 1.00 0.46 C ATOM 378 O THR A 26 -5.152 -0.839 -4.778 1.00 0.63 O ATOM 379 CB THR A 26 -4.226 -1.896 -7.658 1.00 0.53 C ATOM 380 OG1 THR A 26 -5.540 -2.459 -7.791 1.00 0.66 O ATOM 381 CG2 THR A 26 -3.289 -2.545 -8.665 1.00 0.66 C ATOM 0 H THR A 26 -5.207 -3.192 -5.257 1.00 0.46 H new ATOM 0 HA THR A 26 -2.628 -2.207 -6.247 1.00 0.48 H new ATOM 0 HB THR A 26 -4.265 -0.826 -7.860 1.00 0.53 H new ATOM 0 HG1 THR A 26 -6.052 -2.292 -6.972 1.00 0.66 H new ATOM 0 HG21 THR A 26 -3.674 -2.389 -9.673 1.00 0.66 H new ATOM 0 HG22 THR A 26 -2.299 -2.098 -8.581 1.00 0.66 H new ATOM 0 HG23 THR A 26 -3.222 -3.614 -8.463 1.00 0.66 H new ATOM 389 N ILE A 27 -3.181 0.081 -5.316 1.00 0.37 N ATOM 390 CA ILE A 27 -3.437 1.282 -4.539 1.00 0.36 C ATOM 391 C ILE A 27 -4.163 2.325 -5.379 1.00 0.32 C ATOM 392 O ILE A 27 -3.600 2.867 -6.335 1.00 0.37 O ATOM 393 CB ILE A 27 -2.142 1.899 -3.962 1.00 0.40 C ATOM 394 CG1 ILE A 27 -1.388 0.859 -3.123 1.00 0.46 C ATOM 395 CG2 ILE A 27 -2.470 3.142 -3.132 1.00 0.42 C ATOM 396 CD1 ILE A 27 -0.052 1.353 -2.614 1.00 0.50 C ATOM 0 H ILE A 27 -2.278 0.060 -5.789 1.00 0.37 H new ATOM 0 HA ILE A 27 -4.067 0.980 -3.702 1.00 0.36 H new ATOM 0 HB ILE A 27 -1.497 2.204 -4.786 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -2.007 0.569 -2.274 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -1.231 -0.037 -3.724 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -1.549 3.566 -2.732 1.00 0.42 H new ATOM 0 HG22 ILE A 27 -2.965 3.880 -3.763 1.00 0.42 H new ATOM 0 HG23 ILE A 27 -3.130 2.866 -2.309 1.00 0.42 H new ATOM 0 HD11 ILE A 27 0.427 0.568 -2.029 1.00 0.50 H new ATOM 0 HD12 ILE A 27 0.585 1.616 -3.459 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -0.204 2.232 -1.987 1.00 0.50 H new ATOM 408 N THR A 28 -5.415 2.574 -5.038 1.00 0.28 N ATOM 409 CA THR A 28 -6.215 3.564 -5.733 1.00 0.28 C ATOM 410 C THR A 28 -6.726 4.579 -4.721 1.00 0.27 C ATOM 411 O THR A 28 -6.386 4.507 -3.534 1.00 0.29 O ATOM 412 CB THR A 28 -7.410 2.937 -6.492 1.00 0.32 C ATOM 413 OG1 THR A 28 -8.374 2.419 -5.570 1.00 0.73 O ATOM 414 CG2 THR A 28 -6.939 1.823 -7.404 1.00 0.77 C ATOM 0 H THR A 28 -5.902 2.099 -4.278 1.00 0.28 H new ATOM 0 HA THR A 28 -5.581 4.044 -6.479 1.00 0.28 H new ATOM 0 HB THR A 28 -7.872 3.720 -7.094 1.00 0.32 H new ATOM 0 HG1 THR A 28 -7.951 2.282 -4.697 1.00 0.73 H new ATOM 0 HG21 THR A 28 -7.794 1.396 -7.928 1.00 0.77 H new ATOM 0 HG22 THR A 28 -6.231 2.222 -8.130 1.00 0.77 H new ATOM 0 HG23 THR A 28 -6.453 1.048 -6.811 1.00 0.77 H new ATOM 422 N THR A 29 -7.520 5.527 -5.190 1.00 0.29 N ATOM 423 CA THR A 29 -8.096 6.548 -4.330 1.00 0.33 C ATOM 424 C THR A 29 -8.935 5.950 -3.188 1.00 0.31 C ATOM 425 O THR A 29 -9.013 6.526 -2.100 1.00 0.32 O ATOM 426 CB THR A 29 -8.981 7.489 -5.162 1.00 0.40 C ATOM 427 OG1 THR A 29 -9.012 7.052 -6.531 1.00 0.48 O ATOM 428 CG2 THR A 29 -8.468 8.917 -5.091 1.00 0.59 C ATOM 0 H THR A 29 -7.783 5.611 -6.172 1.00 0.29 H new ATOM 0 HA THR A 29 -7.266 7.096 -3.883 1.00 0.33 H new ATOM 0 HB THR A 29 -9.990 7.462 -4.750 1.00 0.40 H new ATOM 0 HG1 THR A 29 -8.165 7.282 -6.967 1.00 0.48 H new ATOM 0 HG21 THR A 29 -9.111 9.565 -5.688 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.474 9.255 -4.055 1.00 0.59 H new ATOM 0 HG23 THR A 29 -7.450 8.958 -5.480 1.00 0.59 H new ATOM 436 N LYS A 30 -9.550 4.801 -3.436 1.00 0.31 N ATOM 437 CA LYS A 30 -10.396 4.142 -2.441 1.00 0.33 C ATOM 438 C LYS A 30 -9.620 3.689 -1.200 1.00 0.33 C ATOM 439 O LYS A 30 -10.020 3.976 -0.070 1.00 0.38 O ATOM 440 CB LYS A 30 -11.080 2.933 -3.083 1.00 0.36 C ATOM 441 CG LYS A 30 -12.147 2.291 -2.209 1.00 0.38 C ATOM 442 CD LYS A 30 -12.681 1.013 -2.834 1.00 0.43 C ATOM 443 CE LYS A 30 -13.799 0.419 -2.000 1.00 0.51 C ATOM 444 NZ LYS A 30 -14.351 -0.807 -2.627 1.00 0.56 N ATOM 0 H LYS A 30 -9.480 4.301 -4.322 1.00 0.31 H new ATOM 0 HA LYS A 30 -11.131 4.874 -2.107 1.00 0.33 H new ATOM 0 HB2 LYS A 30 -11.534 3.242 -4.025 1.00 0.36 H new ATOM 0 HB3 LYS A 30 -10.324 2.186 -3.324 1.00 0.36 H new ATOM 0 HG2 LYS A 30 -11.730 2.071 -1.226 1.00 0.38 H new ATOM 0 HG3 LYS A 30 -12.966 2.994 -2.057 1.00 0.38 H new ATOM 0 HD2 LYS A 30 -13.046 1.222 -3.840 1.00 0.43 H new ATOM 0 HD3 LYS A 30 -11.873 0.288 -2.932 1.00 0.43 H new ATOM 0 HE2 LYS A 30 -13.425 0.183 -1.004 1.00 0.51 H new ATOM 0 HE3 LYS A 30 -14.593 1.155 -1.877 1.00 0.51 H new ATOM 0 HZ1 LYS A 30 -15.312 -0.978 -2.269 1.00 0.56 H new ATOM 0 HZ2 LYS A 30 -14.383 -0.685 -3.659 1.00 0.56 H new ATOM 0 HZ3 LYS A 30 -13.745 -1.619 -2.393 1.00 0.56 H new ATOM 458 N GLU A 31 -8.489 3.016 -1.397 1.00 0.31 N ATOM 459 CA GLU A 31 -7.702 2.495 -0.286 1.00 0.35 C ATOM 460 C GLU A 31 -6.863 3.595 0.350 1.00 0.34 C ATOM 461 O GLU A 31 -6.476 3.515 1.518 1.00 0.39 O ATOM 462 CB GLU A 31 -6.795 1.353 -0.762 1.00 0.37 C ATOM 463 CG GLU A 31 -7.548 0.192 -1.393 1.00 0.41 C ATOM 464 CD GLU A 31 -7.801 0.394 -2.872 1.00 0.35 C ATOM 465 OE1 GLU A 31 -7.350 1.425 -3.419 1.00 0.86 O ATOM 466 OE2 GLU A 31 -8.453 -0.480 -3.495 1.00 0.87 O ATOM 0 H GLU A 31 -8.098 2.819 -2.318 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.393 2.110 0.465 1.00 0.35 H new ATOM 0 HB2 GLU A 31 -6.081 1.746 -1.485 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -6.219 0.982 0.086 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -6.979 -0.726 -1.248 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -8.501 0.061 -0.880 1.00 0.41 H new ATOM 473 N LEU A 32 -6.616 4.631 -0.425 1.00 0.31 N ATOM 474 CA LEU A 32 -5.820 5.760 0.033 1.00 0.33 C ATOM 475 C LEU A 32 -6.619 6.626 1.008 1.00 0.35 C ATOM 476 O LEU A 32 -6.070 7.149 1.978 1.00 0.47 O ATOM 477 CB LEU A 32 -5.351 6.586 -1.167 1.00 0.34 C ATOM 478 CG LEU A 32 -4.348 7.702 -0.855 1.00 0.37 C ATOM 479 CD1 LEU A 32 -3.039 7.140 -0.300 1.00 0.36 C ATOM 480 CD2 LEU A 32 -4.100 8.531 -2.104 1.00 0.43 C ATOM 0 H LEU A 32 -6.956 4.718 -1.383 1.00 0.31 H new ATOM 0 HA LEU A 32 -4.945 5.381 0.562 1.00 0.33 H new ATOM 0 HB2 LEU A 32 -4.901 5.911 -1.895 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -6.225 7.031 -1.642 1.00 0.34 H new ATOM 0 HG LEU A 32 -4.773 8.343 -0.083 1.00 0.37 H new ATOM 0 HD11 LEU A 32 -2.351 7.959 -0.090 1.00 0.36 H new ATOM 0 HD12 LEU A 32 -3.240 6.590 0.620 1.00 0.36 H new ATOM 0 HD13 LEU A 32 -2.591 6.469 -1.033 1.00 0.36 H new ATOM 0 HD21 LEU A 32 -3.386 9.324 -1.879 1.00 0.43 H new ATOM 0 HD22 LEU A 32 -3.697 7.893 -2.890 1.00 0.43 H new ATOM 0 HD23 LEU A 32 -5.038 8.972 -2.440 1.00 0.43 H new ATOM 492 N GLY A 33 -7.918 6.754 0.762 1.00 0.30 N ATOM 493 CA GLY A 33 -8.762 7.567 1.623 1.00 0.33 C ATOM 494 C GLY A 33 -9.335 6.794 2.797 1.00 0.34 C ATOM 495 O GLY A 33 -9.587 7.368 3.854 1.00 0.36 O ATOM 0 H GLY A 33 -8.403 6.310 -0.018 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -8.182 8.410 1.999 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -9.580 7.981 1.034 1.00 0.33 H new ATOM 499 N THR A 34 -9.537 5.492 2.620 1.00 0.36 N ATOM 500 CA THR A 34 -10.111 4.665 3.677 1.00 0.39 C ATOM 501 C THR A 34 -9.236 4.668 4.929 1.00 0.40 C ATOM 502 O THR A 34 -9.744 4.748 6.052 1.00 0.46 O ATOM 503 CB THR A 34 -10.331 3.215 3.205 1.00 0.43 C ATOM 504 OG1 THR A 34 -9.311 2.851 2.271 1.00 0.42 O ATOM 505 CG2 THR A 34 -11.697 3.045 2.554 1.00 0.47 C ATOM 0 H THR A 34 -9.314 4.989 1.761 1.00 0.36 H new ATOM 0 HA THR A 34 -11.078 5.103 3.925 1.00 0.39 H new ATOM 0 HB THR A 34 -10.285 2.566 4.079 1.00 0.43 H new ATOM 0 HG1 THR A 34 -9.587 3.110 1.367 1.00 0.42 H new ATOM 0 HG21 THR A 34 -11.821 2.011 2.232 1.00 0.47 H new ATOM 0 HG22 THR A 34 -12.477 3.297 3.273 1.00 0.47 H new ATOM 0 HG23 THR A 34 -11.773 3.705 1.690 1.00 0.47 H new ATOM 513 N VAL A 35 -7.926 4.599 4.736 1.00 0.40 N ATOM 514 CA VAL A 35 -6.999 4.588 5.855 1.00 0.43 C ATOM 515 C VAL A 35 -6.990 5.950 6.554 1.00 0.40 C ATOM 516 O VAL A 35 -7.113 6.023 7.775 1.00 0.42 O ATOM 517 CB VAL A 35 -5.571 4.187 5.414 1.00 0.51 C ATOM 518 CG1 VAL A 35 -4.986 5.195 4.441 1.00 1.14 C ATOM 519 CG2 VAL A 35 -4.663 4.029 6.619 1.00 1.38 C ATOM 0 H VAL A 35 -7.484 4.550 3.818 1.00 0.40 H new ATOM 0 HA VAL A 35 -7.343 3.834 6.563 1.00 0.43 H new ATOM 0 HB VAL A 35 -5.642 3.228 4.901 1.00 0.51 H new ATOM 0 HG11 VAL A 35 -3.983 4.882 4.152 1.00 1.14 H new ATOM 0 HG12 VAL A 35 -5.617 5.253 3.554 1.00 1.14 H new ATOM 0 HG13 VAL A 35 -4.938 6.174 4.917 1.00 1.14 H new ATOM 0 HG21 VAL A 35 -3.664 3.747 6.287 1.00 1.38 H new ATOM 0 HG22 VAL A 35 -4.612 4.973 7.162 1.00 1.38 H new ATOM 0 HG23 VAL A 35 -5.060 3.254 7.275 1.00 1.38 H new ATOM 529 N MET A 36 -6.871 7.022 5.773 1.00 0.38 N ATOM 530 CA MET A 36 -6.849 8.380 6.318 1.00 0.40 C ATOM 531 C MET A 36 -8.137 8.694 7.074 1.00 0.37 C ATOM 532 O MET A 36 -8.100 9.290 8.153 1.00 0.39 O ATOM 533 CB MET A 36 -6.640 9.393 5.193 1.00 0.46 C ATOM 534 CG MET A 36 -5.308 9.230 4.470 1.00 0.82 C ATOM 535 SD MET A 36 -4.975 10.539 3.273 1.00 0.85 S ATOM 536 CE MET A 36 -3.467 9.924 2.520 1.00 0.83 C ATOM 0 H MET A 36 -6.788 6.977 4.757 1.00 0.38 H new ATOM 0 HA MET A 36 -6.020 8.448 7.022 1.00 0.40 H new ATOM 0 HB2 MET A 36 -7.451 9.295 4.471 1.00 0.46 H new ATOM 0 HB3 MET A 36 -6.700 10.400 5.605 1.00 0.46 H new ATOM 0 HG2 MET A 36 -4.504 9.208 5.206 1.00 0.82 H new ATOM 0 HG3 MET A 36 -5.297 8.268 3.957 1.00 0.82 H new ATOM 0 HE1 MET A 36 -3.179 10.577 1.696 1.00 0.83 H new ATOM 0 HE2 MET A 36 -2.670 9.906 3.264 1.00 0.83 H new ATOM 0 HE3 MET A 36 -3.634 8.915 2.142 1.00 0.83 H new ATOM 546 N ARG A 37 -9.266 8.285 6.508 1.00 0.36 N ATOM 547 CA ARG A 37 -10.566 8.509 7.128 1.00 0.38 C ATOM 548 C ARG A 37 -10.638 7.833 8.491 1.00 0.40 C ATOM 549 O ARG A 37 -11.257 8.348 9.420 1.00 0.45 O ATOM 550 CB ARG A 37 -11.684 7.971 6.232 1.00 0.41 C ATOM 551 CG ARG A 37 -13.083 8.247 6.768 1.00 0.51 C ATOM 552 CD ARG A 37 -13.980 8.870 5.706 1.00 0.71 C ATOM 553 NE ARG A 37 -14.456 10.197 6.093 1.00 1.03 N ATOM 554 CZ ARG A 37 -15.351 10.903 5.398 1.00 1.51 C ATOM 555 NH1 ARG A 37 -15.861 10.418 4.271 1.00 1.88 N ATOM 556 NH2 ARG A 37 -15.722 12.104 5.827 1.00 1.95 N ATOM 0 H ARG A 37 -9.307 7.793 5.615 1.00 0.36 H new ATOM 0 HA ARG A 37 -10.695 9.583 7.259 1.00 0.38 H new ATOM 0 HB2 ARG A 37 -11.590 8.416 5.241 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -11.556 6.895 6.112 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -13.528 7.316 7.120 1.00 0.51 H new ATOM 0 HG3 ARG A 37 -13.018 8.915 7.627 1.00 0.51 H new ATOM 0 HD2 ARG A 37 -13.432 8.942 4.767 1.00 0.71 H new ATOM 0 HD3 ARG A 37 -14.835 8.218 5.527 1.00 0.71 H new ATOM 0 HE ARG A 37 -14.081 10.609 6.947 1.00 1.03 H new ATOM 0 HH11 ARG A 37 -15.569 9.501 3.932 1.00 1.88 H new ATOM 0 HH12 ARG A 37 -16.544 10.962 3.745 1.00 1.88 H new ATOM 0 HH21 ARG A 37 -15.323 12.485 6.685 1.00 1.95 H new ATOM 0 HH22 ARG A 37 -16.406 12.646 5.298 1.00 1.95 H new ATOM 570 N SER A 38 -9.993 6.680 8.609 1.00 0.42 N ATOM 571 CA SER A 38 -9.996 5.936 9.858 1.00 0.45 C ATOM 572 C SER A 38 -8.814 6.328 10.742 1.00 0.46 C ATOM 573 O SER A 38 -8.641 5.787 11.832 1.00 0.59 O ATOM 574 CB SER A 38 -9.951 4.438 9.575 1.00 0.53 C ATOM 575 OG SER A 38 -10.829 4.092 8.518 1.00 0.58 O ATOM 0 H SER A 38 -9.463 6.242 7.856 1.00 0.42 H new ATOM 0 HA SER A 38 -10.916 6.180 10.390 1.00 0.45 H new ATOM 0 HB2 SER A 38 -8.933 4.144 9.318 1.00 0.53 H new ATOM 0 HB3 SER A 38 -10.225 3.886 10.474 1.00 0.53 H new ATOM 0 HG SER A 38 -10.421 4.336 7.661 1.00 0.58 H new ATOM 581 N LEU A 39 -7.993 7.257 10.267 1.00 0.40 N ATOM 582 CA LEU A 39 -6.829 7.705 11.023 1.00 0.43 C ATOM 583 C LEU A 39 -7.078 9.068 11.649 1.00 0.46 C ATOM 584 O LEU A 39 -6.988 9.228 12.865 1.00 0.58 O ATOM 585 CB LEU A 39 -5.588 7.777 10.131 1.00 0.44 C ATOM 586 CG LEU A 39 -4.311 7.190 10.748 1.00 0.46 C ATOM 587 CD1 LEU A 39 -4.460 5.694 10.979 1.00 0.72 C ATOM 588 CD2 LEU A 39 -3.104 7.472 9.868 1.00 0.52 C ATOM 0 H LEU A 39 -8.111 7.714 9.363 1.00 0.40 H new ATOM 0 HA LEU A 39 -6.656 6.975 11.814 1.00 0.43 H new ATOM 0 HB2 LEU A 39 -5.798 7.252 9.199 1.00 0.44 H new ATOM 0 HB3 LEU A 39 -5.403 8.820 9.875 1.00 0.44 H new ATOM 0 HG LEU A 39 -4.153 7.673 11.712 1.00 0.46 H new ATOM 0 HD11 LEU A 39 -3.543 5.300 11.417 1.00 0.72 H new ATOM 0 HD12 LEU A 39 -5.293 5.512 11.658 1.00 0.72 H new ATOM 0 HD13 LEU A 39 -4.651 5.196 10.028 1.00 0.72 H new ATOM 0 HD21 LEU A 39 -2.212 7.046 10.327 1.00 0.52 H new ATOM 0 HD22 LEU A 39 -3.257 7.023 8.886 1.00 0.52 H new ATOM 0 HD23 LEU A 39 -2.977 8.549 9.759 1.00 0.52 H new ATOM 600 N GLY A 40 -7.390 10.054 10.816 1.00 0.44 N ATOM 601 CA GLY A 40 -7.641 11.393 11.315 1.00 0.50 C ATOM 602 C GLY A 40 -8.604 12.153 10.431 1.00 0.50 C ATOM 603 O GLY A 40 -8.366 13.315 10.101 1.00 0.56 O ATOM 0 H GLY A 40 -7.474 9.950 9.805 1.00 0.44 H new ATOM 0 HA2 GLY A 40 -8.045 11.334 12.326 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -6.700 11.939 11.380 1.00 0.50 H new ATOM 607 N GLN A 41 -9.688 11.474 10.053 1.00 0.49 N ATOM 608 CA GLN A 41 -10.732 12.035 9.192 1.00 0.54 C ATOM 609 C GLN A 41 -10.230 12.195 7.755 1.00 0.51 C ATOM 610 O GLN A 41 -9.031 12.281 7.505 1.00 0.60 O ATOM 611 CB GLN A 41 -11.256 13.367 9.747 1.00 0.62 C ATOM 612 CG GLN A 41 -12.494 13.888 9.033 1.00 1.04 C ATOM 613 CD GLN A 41 -13.642 12.895 9.044 1.00 1.93 C ATOM 614 OE1 GLN A 41 -13.769 12.049 8.153 1.00 2.45 O ATOM 615 NE2 GLN A 41 -14.493 12.999 10.049 1.00 2.83 N ATOM 0 H GLN A 41 -9.868 10.511 10.338 1.00 0.49 H new ATOM 0 HA GLN A 41 -11.566 11.333 9.180 1.00 0.54 H new ATOM 0 HB2 GLN A 41 -11.484 13.244 10.806 1.00 0.62 H new ATOM 0 HB3 GLN A 41 -10.466 14.115 9.676 1.00 0.62 H new ATOM 0 HG2 GLN A 41 -12.817 14.815 9.506 1.00 1.04 H new ATOM 0 HG3 GLN A 41 -12.238 14.129 8.001 1.00 1.04 H new ATOM 0 HE21 GLN A 41 -14.352 13.712 10.765 1.00 2.83 H new ATOM 0 HE22 GLN A 41 -15.291 12.366 10.109 1.00 2.83 H new ATOM 624 N ASN A 42 -11.155 12.211 6.811 1.00 0.53 N ATOM 625 CA ASN A 42 -10.803 12.334 5.407 1.00 0.53 C ATOM 626 C ASN A 42 -11.143 13.721 4.883 1.00 0.50 C ATOM 627 O ASN A 42 -12.196 14.271 5.213 1.00 0.56 O ATOM 628 CB ASN A 42 -11.570 11.286 4.601 1.00 0.67 C ATOM 629 CG ASN A 42 -11.006 11.062 3.209 1.00 0.73 C ATOM 630 OD1 ASN A 42 -10.157 10.200 3.010 1.00 0.96 O ATOM 631 ND2 ASN A 42 -11.477 11.829 2.237 1.00 0.63 N ATOM 0 H ASN A 42 -12.156 12.140 6.991 1.00 0.53 H new ATOM 0 HA ASN A 42 -9.729 12.177 5.302 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.560 10.342 5.145 1.00 0.67 H new ATOM 0 HB3 ASN A 42 -12.612 11.594 4.517 1.00 0.67 H new ATOM 0 HD21 ASN A 42 -11.133 11.713 1.284 1.00 0.63 H new ATOM 0 HD22 ASN A 42 -12.183 12.536 2.442 1.00 0.63 H new ATOM 638 N PRO A 43 -10.251 14.309 4.078 1.00 0.49 N ATOM 639 CA PRO A 43 -10.478 15.625 3.478 1.00 0.54 C ATOM 640 C PRO A 43 -11.549 15.564 2.384 1.00 0.50 C ATOM 641 O PRO A 43 -12.288 14.581 2.280 1.00 0.48 O ATOM 642 CB PRO A 43 -9.113 15.973 2.883 1.00 0.61 C ATOM 643 CG PRO A 43 -8.455 14.666 2.625 1.00 0.60 C ATOM 644 CD PRO A 43 -8.934 13.748 3.711 1.00 0.56 C ATOM 0 HA PRO A 43 -10.839 16.361 4.196 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -9.220 16.548 1.963 1.00 0.61 H new ATOM 0 HB3 PRO A 43 -8.526 16.580 3.573 1.00 0.61 H new ATOM 0 HG2 PRO A 43 -8.722 14.281 1.641 1.00 0.60 H new ATOM 0 HG3 PRO A 43 -7.370 14.763 2.645 1.00 0.60 H new ATOM 0 HD2 PRO A 43 -9.019 12.720 3.359 1.00 0.56 H new ATOM 0 HD3 PRO A 43 -8.250 13.739 4.560 1.00 0.56 H new ATOM 652 N THR A 44 -11.626 16.596 1.554 1.00 0.57 N ATOM 653 CA THR A 44 -12.611 16.620 0.483 1.00 0.59 C ATOM 654 C THR A 44 -12.180 15.701 -0.655 1.00 0.53 C ATOM 655 O THR A 44 -11.014 15.305 -0.741 1.00 0.50 O ATOM 656 CB THR A 44 -12.839 18.046 -0.067 1.00 0.71 C ATOM 657 OG1 THR A 44 -11.611 18.580 -0.567 1.00 0.72 O ATOM 658 CG2 THR A 44 -13.393 18.961 1.017 1.00 0.80 C ATOM 0 H THR A 44 -11.025 17.419 1.601 1.00 0.57 H new ATOM 0 HA THR A 44 -13.551 16.268 0.907 1.00 0.59 H new ATOM 0 HB THR A 44 -13.565 17.988 -0.878 1.00 0.71 H new ATOM 0 HG1 THR A 44 -11.079 18.929 0.178 1.00 0.72 H new ATOM 0 HG21 THR A 44 -13.546 19.959 0.607 1.00 0.80 H new ATOM 0 HG22 THR A 44 -14.344 18.566 1.375 1.00 0.80 H new ATOM 0 HG23 THR A 44 -12.687 19.013 1.845 1.00 0.80 H new ATOM 666 N GLU A 45 -13.123 15.369 -1.523 1.00 0.58 N ATOM 667 CA GLU A 45 -12.845 14.494 -2.652 1.00 0.58 C ATOM 668 C GLU A 45 -11.827 15.126 -3.594 1.00 0.57 C ATOM 669 O GLU A 45 -11.047 14.425 -4.234 1.00 0.56 O ATOM 670 CB GLU A 45 -14.134 14.168 -3.405 1.00 0.68 C ATOM 671 CG GLU A 45 -15.261 13.723 -2.488 1.00 0.81 C ATOM 672 CD GLU A 45 -16.491 13.261 -3.237 1.00 1.39 C ATOM 673 OE1 GLU A 45 -16.563 12.065 -3.586 1.00 1.82 O ATOM 674 OE2 GLU A 45 -17.397 14.088 -3.473 1.00 2.13 O ATOM 0 H GLU A 45 -14.089 15.693 -1.467 1.00 0.58 H new ATOM 0 HA GLU A 45 -12.421 13.567 -2.265 1.00 0.58 H new ATOM 0 HB2 GLU A 45 -14.454 15.047 -3.964 1.00 0.68 H new ATOM 0 HB3 GLU A 45 -13.934 13.382 -4.133 1.00 0.68 H new ATOM 0 HG2 GLU A 45 -14.905 12.912 -1.852 1.00 0.81 H new ATOM 0 HG3 GLU A 45 -15.533 14.548 -1.830 1.00 0.81 H new ATOM 681 N ALA A 46 -11.829 16.456 -3.659 1.00 0.60 N ATOM 682 CA ALA A 46 -10.899 17.188 -4.512 1.00 0.61 C ATOM 683 C ALA A 46 -9.461 16.944 -4.073 1.00 0.55 C ATOM 684 O ALA A 46 -8.566 16.750 -4.899 1.00 0.54 O ATOM 685 CB ALA A 46 -11.216 18.673 -4.491 1.00 0.70 C ATOM 0 H ALA A 46 -12.467 17.049 -3.129 1.00 0.60 H new ATOM 0 HA ALA A 46 -11.012 16.824 -5.533 1.00 0.61 H new ATOM 0 HB1 ALA A 46 -10.513 19.204 -5.132 1.00 0.70 H new ATOM 0 HB2 ALA A 46 -12.231 18.834 -4.854 1.00 0.70 H new ATOM 0 HB3 ALA A 46 -11.132 19.049 -3.471 1.00 0.70 H new ATOM 691 N GLU A 47 -9.246 16.963 -2.762 1.00 0.54 N ATOM 692 CA GLU A 47 -7.921 16.722 -2.199 1.00 0.51 C ATOM 693 C GLU A 47 -7.546 15.250 -2.351 1.00 0.46 C ATOM 694 O GLU A 47 -6.388 14.912 -2.590 1.00 0.46 O ATOM 695 CB GLU A 47 -7.870 17.117 -0.718 1.00 0.55 C ATOM 696 CG GLU A 47 -8.257 18.567 -0.453 1.00 0.66 C ATOM 697 CD GLU A 47 -8.631 18.827 0.996 1.00 0.72 C ATOM 698 OE1 GLU A 47 -9.819 18.647 1.347 1.00 0.76 O ATOM 699 OE2 GLU A 47 -7.744 19.217 1.788 1.00 0.81 O ATOM 0 H GLU A 47 -9.972 17.143 -2.069 1.00 0.54 H new ATOM 0 HA GLU A 47 -7.206 17.338 -2.745 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -8.537 16.464 -0.155 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -6.862 16.945 -0.341 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -7.426 19.215 -0.730 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -9.097 18.836 -1.093 1.00 0.66 H new ATOM 706 N LEU A 48 -8.545 14.385 -2.210 1.00 0.44 N ATOM 707 CA LEU A 48 -8.353 12.945 -2.334 1.00 0.44 C ATOM 708 C LEU A 48 -7.919 12.586 -3.756 1.00 0.43 C ATOM 709 O LEU A 48 -6.968 11.829 -3.954 1.00 0.43 O ATOM 710 CB LEU A 48 -9.653 12.216 -1.967 1.00 0.51 C ATOM 711 CG LEU A 48 -9.634 10.696 -2.134 1.00 0.64 C ATOM 712 CD1 LEU A 48 -8.645 10.073 -1.156 1.00 0.76 C ATOM 713 CD2 LEU A 48 -11.039 10.126 -1.948 1.00 0.73 C ATOM 0 H LEU A 48 -9.506 14.661 -2.008 1.00 0.44 H new ATOM 0 HA LEU A 48 -7.566 12.630 -1.648 1.00 0.44 H new ATOM 0 HB2 LEU A 48 -9.895 12.446 -0.929 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -10.459 12.620 -2.580 1.00 0.51 H new ATOM 0 HG LEU A 48 -9.306 10.451 -3.144 1.00 0.64 H new ATOM 0 HD11 LEU A 48 -8.640 8.991 -1.284 1.00 0.76 H new ATOM 0 HD12 LEU A 48 -7.647 10.466 -1.348 1.00 0.76 H new ATOM 0 HD13 LEU A 48 -8.940 10.316 -0.135 1.00 0.76 H new ATOM 0 HD21 LEU A 48 -11.011 9.043 -2.069 1.00 0.73 H new ATOM 0 HD22 LEU A 48 -11.401 10.370 -0.949 1.00 0.73 H new ATOM 0 HD23 LEU A 48 -11.708 10.558 -2.692 1.00 0.73 H new ATOM 725 N GLN A 49 -8.596 13.159 -4.744 1.00 0.45 N ATOM 726 CA GLN A 49 -8.280 12.892 -6.140 1.00 0.47 C ATOM 727 C GLN A 49 -6.931 13.494 -6.515 1.00 0.46 C ATOM 728 O GLN A 49 -6.212 12.960 -7.361 1.00 0.48 O ATOM 729 CB GLN A 49 -9.367 13.469 -7.041 1.00 0.53 C ATOM 730 CG GLN A 49 -9.421 12.838 -8.421 1.00 0.74 C ATOM 731 CD GLN A 49 -10.466 13.480 -9.307 1.00 0.84 C ATOM 732 OE1 GLN A 49 -11.623 13.063 -9.330 1.00 0.99 O ATOM 733 NE2 GLN A 49 -10.062 14.500 -10.045 1.00 1.12 N ATOM 0 H GLN A 49 -9.367 13.811 -4.603 1.00 0.45 H new ATOM 0 HA GLN A 49 -8.230 11.812 -6.278 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -10.334 13.340 -6.555 1.00 0.53 H new ATOM 0 HB3 GLN A 49 -9.205 14.541 -7.149 1.00 0.53 H new ATOM 0 HG2 GLN A 49 -8.443 12.924 -8.896 1.00 0.74 H new ATOM 0 HG3 GLN A 49 -9.635 11.774 -8.323 1.00 0.74 H new ATOM 0 HE21 GLN A 49 -9.093 14.813 -9.995 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -10.720 14.974 -10.664 1.00 1.12 H new ATOM 742 N ASP A 50 -6.593 14.611 -5.890 1.00 0.45 N ATOM 743 CA ASP A 50 -5.327 15.283 -6.155 1.00 0.46 C ATOM 744 C ASP A 50 -4.168 14.454 -5.611 1.00 0.42 C ATOM 745 O ASP A 50 -3.121 14.339 -6.247 1.00 0.45 O ATOM 746 CB ASP A 50 -5.324 16.676 -5.515 1.00 0.51 C ATOM 747 CG ASP A 50 -4.079 17.480 -5.845 1.00 0.60 C ATOM 748 OD1 ASP A 50 -3.030 17.260 -5.202 1.00 1.10 O ATOM 749 OD2 ASP A 50 -4.148 18.350 -6.741 1.00 1.42 O ATOM 0 H ASP A 50 -7.178 15.073 -5.194 1.00 0.45 H new ATOM 0 HA ASP A 50 -5.207 15.391 -7.233 1.00 0.46 H new ATOM 0 HB2 ASP A 50 -6.204 17.225 -5.850 1.00 0.51 H new ATOM 0 HB3 ASP A 50 -5.406 16.572 -4.433 1.00 0.51 H new ATOM 754 N MET A 51 -4.384 13.857 -4.443 1.00 0.39 N ATOM 755 CA MET A 51 -3.371 13.036 -3.788 1.00 0.38 C ATOM 756 C MET A 51 -2.905 11.881 -4.674 1.00 0.37 C ATOM 757 O MET A 51 -1.705 11.642 -4.796 1.00 0.38 O ATOM 758 CB MET A 51 -3.907 12.490 -2.467 1.00 0.41 C ATOM 759 CG MET A 51 -3.277 13.132 -1.244 1.00 0.45 C ATOM 760 SD MET A 51 -1.521 12.746 -1.088 1.00 0.54 S ATOM 761 CE MET A 51 -1.591 10.968 -0.882 1.00 0.40 C ATOM 0 H MET A 51 -5.261 13.928 -3.926 1.00 0.39 H new ATOM 0 HA MET A 51 -2.510 13.677 -3.598 1.00 0.38 H new ATOM 0 HB2 MET A 51 -4.986 12.642 -2.432 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.735 11.414 -2.432 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.405 14.213 -1.299 1.00 0.45 H new ATOM 0 HG3 MET A 51 -3.801 12.794 -0.350 1.00 0.45 H new ATOM 0 HE1 MET A 51 -0.740 10.637 -0.287 1.00 0.40 H new ATOM 0 HE2 MET A 51 -2.517 10.697 -0.374 1.00 0.40 H new ATOM 0 HE3 MET A 51 -1.559 10.487 -1.860 1.00 0.40 H new ATOM 771 N ILE A 52 -3.840 11.162 -5.293 1.00 0.39 N ATOM 772 CA ILE A 52 -3.468 10.043 -6.156 1.00 0.43 C ATOM 773 C ILE A 52 -2.777 10.533 -7.436 1.00 0.47 C ATOM 774 O ILE A 52 -2.019 9.794 -8.061 1.00 0.52 O ATOM 775 CB ILE A 52 -4.677 9.145 -6.513 1.00 0.48 C ATOM 776 CG1 ILE A 52 -4.211 7.813 -7.110 1.00 0.49 C ATOM 777 CG2 ILE A 52 -5.621 9.840 -7.479 1.00 0.59 C ATOM 778 CD1 ILE A 52 -3.596 6.872 -6.102 1.00 0.46 C ATOM 0 H ILE A 52 -4.843 11.330 -5.216 1.00 0.39 H new ATOM 0 HA ILE A 52 -2.764 9.436 -5.586 1.00 0.43 H new ATOM 0 HB ILE A 52 -5.217 8.949 -5.587 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -5.061 7.320 -7.581 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -3.483 8.013 -7.896 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -6.458 9.180 -7.708 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -5.995 10.758 -7.025 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -5.088 10.081 -8.398 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -3.292 5.952 -6.601 1.00 0.46 H new ATOM 0 HD12 ILE A 52 -2.725 7.344 -5.648 1.00 0.46 H new ATOM 0 HD13 ILE A 52 -4.327 6.640 -5.328 1.00 0.46 H new ATOM 790 N ASN A 53 -3.016 11.790 -7.806 1.00 0.50 N ATOM 791 CA ASN A 53 -2.407 12.369 -9.000 1.00 0.57 C ATOM 792 C ASN A 53 -0.950 12.730 -8.709 1.00 0.56 C ATOM 793 O ASN A 53 -0.114 12.785 -9.611 1.00 0.61 O ATOM 794 CB ASN A 53 -3.208 13.614 -9.443 1.00 0.65 C ATOM 795 CG ASN A 53 -2.350 14.855 -9.656 1.00 0.72 C ATOM 796 OD1 ASN A 53 -1.843 15.092 -10.749 1.00 0.98 O ATOM 797 ND2 ASN A 53 -2.176 15.646 -8.611 1.00 1.06 N ATOM 0 H ASN A 53 -3.628 12.427 -7.295 1.00 0.50 H new ATOM 0 HA ASN A 53 -2.427 11.642 -9.812 1.00 0.57 H new ATOM 0 HB2 ASN A 53 -3.735 13.385 -10.369 1.00 0.65 H new ATOM 0 HB3 ASN A 53 -3.966 13.833 -8.691 1.00 0.65 H new ATOM 0 HD21 ASN A 53 -1.604 16.486 -8.697 1.00 1.06 H new ATOM 0 HD22 ASN A 53 -2.614 15.416 -7.719 1.00 1.06 H new ATOM 804 N GLU A 54 -0.649 12.917 -7.433 1.00 0.50 N ATOM 805 CA GLU A 54 0.696 13.277 -7.008 1.00 0.51 C ATOM 806 C GLU A 54 1.579 12.037 -6.908 1.00 0.50 C ATOM 807 O GLU A 54 2.807 12.138 -6.899 1.00 0.71 O ATOM 808 CB GLU A 54 0.658 13.994 -5.659 1.00 0.53 C ATOM 809 CG GLU A 54 1.778 15.011 -5.470 1.00 0.62 C ATOM 810 CD GLU A 54 1.519 15.951 -4.311 1.00 0.91 C ATOM 811 OE1 GLU A 54 0.987 15.492 -3.281 1.00 1.46 O ATOM 812 OE2 GLU A 54 1.878 17.145 -4.414 1.00 1.58 O ATOM 0 H GLU A 54 -1.321 12.825 -6.671 1.00 0.50 H new ATOM 0 HA GLU A 54 1.117 13.950 -7.755 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -0.301 14.501 -5.554 1.00 0.53 H new ATOM 0 HB3 GLU A 54 0.715 13.252 -4.862 1.00 0.53 H new ATOM 0 HG2 GLU A 54 2.718 14.485 -5.304 1.00 0.62 H new ATOM 0 HG3 GLU A 54 1.895 15.591 -6.385 1.00 0.62 H new ATOM 819 N VAL A 55 0.948 10.870 -6.828 1.00 0.48 N ATOM 820 CA VAL A 55 1.683 9.615 -6.722 1.00 0.46 C ATOM 821 C VAL A 55 1.703 8.844 -8.045 1.00 0.47 C ATOM 822 O VAL A 55 2.763 8.400 -8.490 1.00 0.69 O ATOM 823 CB VAL A 55 1.127 8.708 -5.586 1.00 0.47 C ATOM 824 CG1 VAL A 55 -0.376 8.847 -5.416 1.00 0.39 C ATOM 825 CG2 VAL A 55 1.481 7.253 -5.809 1.00 0.82 C ATOM 0 H VAL A 55 -0.067 10.767 -6.835 1.00 0.48 H new ATOM 0 HA VAL A 55 2.708 9.888 -6.472 1.00 0.46 H new ATOM 0 HB VAL A 55 1.605 9.052 -4.669 1.00 0.47 H new ATOM 0 HG11 VAL A 55 -0.713 8.194 -4.611 1.00 0.39 H new ATOM 0 HG12 VAL A 55 -0.620 9.881 -5.171 1.00 0.39 H new ATOM 0 HG13 VAL A 55 -0.875 8.567 -6.344 1.00 0.39 H new ATOM 0 HG21 VAL A 55 1.076 6.651 -4.996 1.00 0.82 H new ATOM 0 HG22 VAL A 55 1.057 6.916 -6.755 1.00 0.82 H new ATOM 0 HG23 VAL A 55 2.565 7.142 -5.837 1.00 0.82 H new ATOM 835 N ASP A 56 0.544 8.691 -8.677 1.00 0.52 N ATOM 836 CA ASP A 56 0.467 7.952 -9.933 1.00 0.52 C ATOM 837 C ASP A 56 0.833 8.841 -11.109 1.00 0.62 C ATOM 838 O ASP A 56 0.052 9.700 -11.531 1.00 0.70 O ATOM 839 CB ASP A 56 -0.922 7.348 -10.131 1.00 0.53 C ATOM 840 CG ASP A 56 -0.964 6.359 -11.280 1.00 0.52 C ATOM 841 OD1 ASP A 56 -0.493 5.210 -11.106 1.00 0.52 O ATOM 842 OD2 ASP A 56 -1.470 6.717 -12.362 1.00 0.57 O ATOM 0 H ASP A 56 -0.346 9.064 -8.345 1.00 0.52 H new ATOM 0 HA ASP A 56 1.188 7.136 -9.882 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -1.232 6.848 -9.213 1.00 0.53 H new ATOM 0 HB3 ASP A 56 -1.640 8.147 -10.317 1.00 0.53 H new ATOM 847 N ALA A 57 2.022 8.617 -11.644 1.00 0.68 N ATOM 848 CA ALA A 57 2.517 9.413 -12.756 1.00 0.81 C ATOM 849 C ALA A 57 2.053 8.868 -14.101 1.00 0.81 C ATOM 850 O ALA A 57 2.065 9.590 -15.096 1.00 0.88 O ATOM 851 CB ALA A 57 4.035 9.495 -12.722 1.00 0.90 C ATOM 0 H ALA A 57 2.663 7.890 -11.326 1.00 0.68 H new ATOM 0 HA ALA A 57 2.101 10.414 -12.643 1.00 0.81 H new ATOM 0 HB1 ALA A 57 4.386 10.095 -13.562 1.00 0.90 H new ATOM 0 HB2 ALA A 57 4.354 9.958 -11.788 1.00 0.90 H new ATOM 0 HB3 ALA A 57 4.455 8.492 -12.792 1.00 0.90 H new ATOM 857 N ASP A 58 1.659 7.591 -14.137 1.00 0.76 N ATOM 858 CA ASP A 58 1.188 6.977 -15.380 1.00 0.79 C ATOM 859 C ASP A 58 -0.120 7.624 -15.819 1.00 0.80 C ATOM 860 O ASP A 58 -0.418 7.697 -17.010 1.00 0.85 O ATOM 861 CB ASP A 58 1.023 5.446 -15.270 1.00 0.76 C ATOM 862 CG ASP A 58 1.021 4.900 -13.850 1.00 0.61 C ATOM 863 OD1 ASP A 58 1.904 5.258 -13.047 1.00 0.59 O ATOM 864 OD2 ASP A 58 0.143 4.078 -13.521 1.00 0.62 O ATOM 0 H ASP A 58 1.657 6.969 -13.329 1.00 0.76 H new ATOM 0 HA ASP A 58 1.955 7.153 -16.134 1.00 0.79 H new ATOM 0 HB2 ASP A 58 0.089 5.161 -15.754 1.00 0.76 H new ATOM 0 HB3 ASP A 58 1.829 4.968 -15.826 1.00 0.76 H new ATOM 869 N GLY A 59 -0.892 8.100 -14.851 1.00 0.85 N ATOM 870 CA GLY A 59 -2.138 8.776 -15.160 1.00 0.90 C ATOM 871 C GLY A 59 -3.343 7.863 -15.199 1.00 0.91 C ATOM 872 O GLY A 59 -4.272 8.086 -15.972 1.00 1.03 O ATOM 0 H GLY A 59 -0.678 8.030 -13.856 1.00 0.85 H new ATOM 0 HA2 GLY A 59 -2.310 9.555 -14.417 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -2.040 9.272 -16.126 1.00 0.90 H new ATOM 876 N ASN A 60 -3.351 6.849 -14.354 1.00 0.82 N ATOM 877 CA ASN A 60 -4.472 5.924 -14.306 1.00 0.85 C ATOM 878 C ASN A 60 -4.951 5.754 -12.873 1.00 0.78 C ATOM 879 O ASN A 60 -5.951 5.086 -12.621 1.00 0.93 O ATOM 880 CB ASN A 60 -4.112 4.565 -14.930 1.00 0.88 C ATOM 881 CG ASN A 60 -2.837 3.966 -14.376 1.00 0.93 C ATOM 882 OD1 ASN A 60 -2.639 3.880 -13.164 1.00 1.23 O ATOM 883 ND2 ASN A 60 -1.957 3.554 -15.269 1.00 1.61 N ATOM 0 H ASN A 60 -2.600 6.644 -13.695 1.00 0.82 H new ATOM 0 HA ASN A 60 -5.283 6.347 -14.899 1.00 0.85 H new ATOM 0 HB2 ASN A 60 -4.934 3.868 -14.764 1.00 0.88 H new ATOM 0 HB3 ASN A 60 -4.009 4.685 -16.008 1.00 0.88 H new ATOM 0 HD21 ASN A 60 -1.073 3.146 -14.964 1.00 1.61 H new ATOM 0 HD22 ASN A 60 -2.160 3.644 -16.264 1.00 1.61 H new ATOM 890 N GLY A 61 -4.217 6.352 -11.930 1.00 0.64 N ATOM 891 CA GLY A 61 -4.592 6.284 -10.521 1.00 0.63 C ATOM 892 C GLY A 61 -4.455 4.890 -9.939 1.00 0.58 C ATOM 893 O GLY A 61 -4.943 4.614 -8.845 1.00 0.67 O ATOM 0 H GLY A 61 -3.367 6.884 -12.118 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -3.969 6.973 -9.951 1.00 0.63 H new ATOM 0 HA3 GLY A 61 -5.623 6.619 -10.408 1.00 0.63 H new ATOM 897 N THR A 62 -3.773 4.021 -10.666 1.00 0.53 N ATOM 898 CA THR A 62 -3.579 2.651 -10.240 1.00 0.52 C ATOM 899 C THR A 62 -2.097 2.350 -10.071 1.00 0.49 C ATOM 900 O THR A 62 -1.281 2.673 -10.946 1.00 0.54 O ATOM 901 CB THR A 62 -4.197 1.672 -11.262 1.00 0.58 C ATOM 902 OG1 THR A 62 -5.470 2.168 -11.712 1.00 0.65 O ATOM 903 CG2 THR A 62 -4.368 0.281 -10.655 1.00 0.65 C ATOM 0 H THR A 62 -3.342 4.246 -11.562 1.00 0.53 H new ATOM 0 HA THR A 62 -4.079 2.521 -9.280 1.00 0.52 H new ATOM 0 HB THR A 62 -3.518 1.595 -12.111 1.00 0.58 H new ATOM 0 HG1 THR A 62 -5.854 1.542 -12.361 1.00 0.65 H new ATOM 0 HG21 THR A 62 -4.805 -0.388 -11.396 1.00 0.65 H new ATOM 0 HG22 THR A 62 -3.396 -0.104 -10.347 1.00 0.65 H new ATOM 0 HG23 THR A 62 -5.025 0.341 -9.788 1.00 0.65 H new ATOM 911 N ILE A 63 -1.747 1.781 -8.925 1.00 0.47 N ATOM 912 CA ILE A 63 -0.364 1.417 -8.638 1.00 0.46 C ATOM 913 C ILE A 63 -0.247 -0.078 -8.360 1.00 0.50 C ATOM 914 O ILE A 63 -0.889 -0.604 -7.447 1.00 0.48 O ATOM 915 CB ILE A 63 0.221 2.237 -7.454 1.00 0.43 C ATOM 916 CG1 ILE A 63 0.826 3.546 -7.985 1.00 0.44 C ATOM 917 CG2 ILE A 63 1.258 1.436 -6.661 1.00 0.45 C ATOM 918 CD1 ILE A 63 2.057 4.021 -7.235 1.00 0.42 C ATOM 0 H ILE A 63 -2.404 1.561 -8.176 1.00 0.47 H new ATOM 0 HA ILE A 63 0.223 1.658 -9.524 1.00 0.46 H new ATOM 0 HB ILE A 63 -0.591 2.469 -6.765 1.00 0.43 H new ATOM 0 HG12 ILE A 63 1.085 3.412 -9.035 1.00 0.44 H new ATOM 0 HG13 ILE A 63 0.066 4.326 -7.942 1.00 0.44 H new ATOM 0 HG21 ILE A 63 1.641 2.046 -5.843 1.00 0.45 H new ATOM 0 HG22 ILE A 63 0.792 0.538 -6.256 1.00 0.45 H new ATOM 0 HG23 ILE A 63 2.080 1.153 -7.319 1.00 0.45 H new ATOM 0 HD11 ILE A 63 2.416 4.950 -7.677 1.00 0.42 H new ATOM 0 HD12 ILE A 63 1.802 4.192 -6.189 1.00 0.42 H new ATOM 0 HD13 ILE A 63 2.837 3.263 -7.299 1.00 0.42 H new ATOM 930 N ASP A 64 0.552 -0.745 -9.185 1.00 0.57 N ATOM 931 CA ASP A 64 0.795 -2.180 -9.061 1.00 0.64 C ATOM 932 C ASP A 64 2.121 -2.424 -8.344 1.00 0.65 C ATOM 933 O ASP A 64 2.759 -1.474 -7.880 1.00 0.61 O ATOM 934 CB ASP A 64 0.828 -2.818 -10.457 1.00 0.70 C ATOM 935 CG ASP A 64 0.403 -4.274 -10.457 1.00 0.82 C ATOM 936 OD1 ASP A 64 1.263 -5.146 -10.206 1.00 0.95 O ATOM 937 OD2 ASP A 64 -0.790 -4.550 -10.719 1.00 1.09 O ATOM 0 H ASP A 64 1.051 -0.307 -9.960 1.00 0.57 H new ATOM 0 HA ASP A 64 -0.008 -2.632 -8.479 1.00 0.64 H new ATOM 0 HB2 ASP A 64 0.174 -2.255 -11.123 1.00 0.70 H new ATOM 0 HB3 ASP A 64 1.837 -2.740 -10.861 1.00 0.70 H new ATOM 942 N PHE A 65 2.546 -3.687 -8.288 1.00 0.73 N ATOM 943 CA PHE A 65 3.800 -4.069 -7.631 1.00 0.77 C ATOM 944 C PHE A 65 4.989 -3.269 -8.176 1.00 0.75 C ATOM 945 O PHE A 65 5.705 -2.637 -7.401 1.00 0.75 O ATOM 946 CB PHE A 65 4.065 -5.572 -7.800 1.00 0.88 C ATOM 947 CG PHE A 65 3.619 -6.429 -6.645 1.00 1.13 C ATOM 948 CD1 PHE A 65 4.434 -6.600 -5.537 1.00 1.38 C ATOM 949 CD2 PHE A 65 2.391 -7.076 -6.674 1.00 1.40 C ATOM 950 CE1 PHE A 65 4.034 -7.403 -4.482 1.00 1.68 C ATOM 951 CE2 PHE A 65 1.988 -7.880 -5.625 1.00 1.70 C ATOM 952 CZ PHE A 65 2.810 -8.042 -4.526 1.00 1.78 C ATOM 0 H PHE A 65 2.035 -4.471 -8.694 1.00 0.73 H new ATOM 0 HA PHE A 65 3.692 -3.841 -6.571 1.00 0.77 H new ATOM 0 HB2 PHE A 65 3.562 -5.915 -8.704 1.00 0.88 H new ATOM 0 HB3 PHE A 65 5.134 -5.723 -7.954 1.00 0.88 H new ATOM 0 HD1 PHE A 65 5.391 -6.102 -5.496 1.00 1.38 H new ATOM 0 HD2 PHE A 65 1.742 -6.949 -7.528 1.00 1.40 H new ATOM 0 HE1 PHE A 65 4.679 -7.530 -3.625 1.00 1.68 H new ATOM 0 HE2 PHE A 65 1.032 -8.381 -5.664 1.00 1.70 H new ATOM 0 HZ PHE A 65 2.496 -8.667 -3.703 1.00 1.78 H new ATOM 962 N PRO A 66 5.225 -3.278 -9.510 1.00 0.76 N ATOM 963 CA PRO A 66 6.341 -2.543 -10.124 1.00 0.78 C ATOM 964 C PRO A 66 6.378 -1.074 -9.713 1.00 0.73 C ATOM 965 O PRO A 66 7.440 -0.521 -9.426 1.00 0.77 O ATOM 966 CB PRO A 66 6.075 -2.662 -11.630 1.00 0.79 C ATOM 967 CG PRO A 66 4.679 -3.168 -11.755 1.00 0.77 C ATOM 968 CD PRO A 66 4.447 -3.999 -10.535 1.00 0.79 C ATOM 0 HA PRO A 66 7.302 -2.951 -9.812 1.00 0.78 H new ATOM 0 HB2 PRO A 66 6.187 -1.697 -12.125 1.00 0.79 H new ATOM 0 HB3 PRO A 66 6.783 -3.345 -12.100 1.00 0.79 H new ATOM 0 HG2 PRO A 66 3.966 -2.345 -11.811 1.00 0.77 H new ATOM 0 HG3 PRO A 66 4.555 -3.759 -12.662 1.00 0.77 H new ATOM 0 HD2 PRO A 66 3.389 -4.056 -10.277 1.00 0.79 H new ATOM 0 HD3 PRO A 66 4.799 -5.022 -10.667 1.00 0.79 H new ATOM 976 N GLU A 67 5.208 -0.446 -9.678 1.00 0.66 N ATOM 977 CA GLU A 67 5.108 0.957 -9.302 1.00 0.62 C ATOM 978 C GLU A 67 5.428 1.134 -7.821 1.00 0.62 C ATOM 979 O GLU A 67 6.235 1.983 -7.449 1.00 0.64 O ATOM 980 CB GLU A 67 3.701 1.491 -9.596 1.00 0.58 C ATOM 981 CG GLU A 67 3.343 1.526 -11.072 1.00 0.60 C ATOM 982 CD GLU A 67 1.872 1.794 -11.281 1.00 0.54 C ATOM 983 OE1 GLU A 67 1.466 2.980 -11.308 1.00 0.52 O ATOM 984 OE2 GLU A 67 1.103 0.826 -11.402 1.00 0.61 O ATOM 0 H GLU A 67 4.317 -0.887 -9.905 1.00 0.66 H new ATOM 0 HA GLU A 67 5.831 1.522 -9.891 1.00 0.62 H new ATOM 0 HB2 GLU A 67 2.973 0.872 -9.072 1.00 0.58 H new ATOM 0 HB3 GLU A 67 3.615 2.498 -9.189 1.00 0.58 H new ATOM 0 HG2 GLU A 67 3.929 2.298 -11.571 1.00 0.60 H new ATOM 0 HG3 GLU A 67 3.610 0.576 -11.534 1.00 0.60 H new ATOM 991 N PHE A 68 4.807 0.296 -6.997 1.00 0.60 N ATOM 992 CA PHE A 68 4.982 0.334 -5.545 1.00 0.59 C ATOM 993 C PHE A 68 6.443 0.141 -5.146 1.00 0.63 C ATOM 994 O PHE A 68 6.979 0.899 -4.336 1.00 0.67 O ATOM 995 CB PHE A 68 4.119 -0.749 -4.898 1.00 0.60 C ATOM 996 CG PHE A 68 4.152 -0.748 -3.398 1.00 0.58 C ATOM 997 CD1 PHE A 68 3.358 0.123 -2.673 1.00 0.55 C ATOM 998 CD2 PHE A 68 4.981 -1.621 -2.714 1.00 0.71 C ATOM 999 CE1 PHE A 68 3.385 0.119 -1.294 1.00 0.62 C ATOM 1000 CE2 PHE A 68 5.013 -1.629 -1.336 1.00 0.77 C ATOM 1001 CZ PHE A 68 4.216 -0.757 -0.624 1.00 0.71 C ATOM 0 H PHE A 68 4.166 -0.431 -7.316 1.00 0.60 H new ATOM 0 HA PHE A 68 4.670 1.318 -5.193 1.00 0.59 H new ATOM 0 HB2 PHE A 68 3.088 -0.621 -5.228 1.00 0.60 H new ATOM 0 HB3 PHE A 68 4.450 -1.724 -5.257 1.00 0.60 H new ATOM 0 HD1 PHE A 68 2.710 0.813 -3.193 1.00 0.55 H new ATOM 0 HD2 PHE A 68 5.610 -2.303 -3.267 1.00 0.71 H new ATOM 0 HE1 PHE A 68 2.757 0.800 -0.739 1.00 0.62 H new ATOM 0 HE2 PHE A 68 5.661 -2.317 -0.814 1.00 0.77 H new ATOM 0 HZ PHE A 68 4.242 -0.759 0.456 1.00 0.71 H new ATOM 1011 N LEU A 69 7.084 -0.865 -5.733 1.00 0.66 N ATOM 1012 CA LEU A 69 8.482 -1.174 -5.433 1.00 0.72 C ATOM 1013 C LEU A 69 9.402 0.005 -5.740 1.00 0.76 C ATOM 1014 O LEU A 69 10.465 0.146 -5.136 1.00 0.82 O ATOM 1015 CB LEU A 69 8.929 -2.404 -6.223 1.00 0.75 C ATOM 1016 CG LEU A 69 8.192 -3.702 -5.886 1.00 0.79 C ATOM 1017 CD1 LEU A 69 8.492 -4.766 -6.931 1.00 0.82 C ATOM 1018 CD2 LEU A 69 8.573 -4.189 -4.494 1.00 0.90 C ATOM 0 H LEU A 69 6.657 -1.484 -6.422 1.00 0.66 H new ATOM 0 HA LEU A 69 8.552 -1.381 -4.365 1.00 0.72 H new ATOM 0 HB2 LEU A 69 8.801 -2.199 -7.286 1.00 0.75 H new ATOM 0 HB3 LEU A 69 9.995 -2.556 -6.054 1.00 0.75 H new ATOM 0 HG LEU A 69 7.120 -3.505 -5.894 1.00 0.79 H new ATOM 0 HD11 LEU A 69 7.961 -5.684 -6.678 1.00 0.82 H new ATOM 0 HD12 LEU A 69 8.166 -4.416 -7.911 1.00 0.82 H new ATOM 0 HD13 LEU A 69 9.564 -4.962 -6.954 1.00 0.82 H new ATOM 0 HD21 LEU A 69 8.039 -5.113 -4.273 1.00 0.90 H new ATOM 0 HD22 LEU A 69 9.647 -4.372 -4.454 1.00 0.90 H new ATOM 0 HD23 LEU A 69 8.307 -3.431 -3.758 1.00 0.90 H new ATOM 1030 N THR A 70 8.990 0.850 -6.677 1.00 0.75 N ATOM 1031 CA THR A 70 9.784 2.009 -7.052 1.00 0.82 C ATOM 1032 C THR A 70 9.357 3.245 -6.260 1.00 0.78 C ATOM 1033 O THR A 70 10.192 4.059 -5.866 1.00 0.98 O ATOM 1034 CB THR A 70 9.667 2.291 -8.564 1.00 0.89 C ATOM 1035 OG1 THR A 70 9.738 1.055 -9.289 1.00 0.95 O ATOM 1036 CG2 THR A 70 10.780 3.218 -9.033 1.00 1.02 C ATOM 0 H THR A 70 8.113 0.753 -7.189 1.00 0.75 H new ATOM 0 HA THR A 70 10.824 1.785 -6.816 1.00 0.82 H new ATOM 0 HB THR A 70 8.710 2.778 -8.751 1.00 0.89 H new ATOM 0 HG1 THR A 70 8.868 0.605 -9.255 1.00 0.95 H new ATOM 0 HG21 THR A 70 10.675 3.401 -10.102 1.00 1.02 H new ATOM 0 HG22 THR A 70 10.717 4.164 -8.495 1.00 1.02 H new ATOM 0 HG23 THR A 70 11.747 2.754 -8.838 1.00 1.02 H new ATOM 1044 N MET A 71 8.057 3.357 -6.004 1.00 0.69 N ATOM 1045 CA MET A 71 7.493 4.488 -5.267 1.00 0.66 C ATOM 1046 C MET A 71 8.032 4.551 -3.846 1.00 0.66 C ATOM 1047 O MET A 71 8.476 5.604 -3.386 1.00 0.69 O ATOM 1048 CB MET A 71 5.963 4.383 -5.240 1.00 0.67 C ATOM 1049 CG MET A 71 5.294 5.234 -4.169 1.00 0.68 C ATOM 1050 SD MET A 71 5.038 6.942 -4.688 1.00 0.63 S ATOM 1051 CE MET A 71 4.156 7.596 -3.272 1.00 0.67 C ATOM 0 H MET A 71 7.364 2.669 -6.300 1.00 0.69 H new ATOM 0 HA MET A 71 7.788 5.404 -5.780 1.00 0.66 H new ATOM 0 HB2 MET A 71 5.573 4.675 -6.215 1.00 0.67 H new ATOM 0 HB3 MET A 71 5.685 3.341 -5.085 1.00 0.67 H new ATOM 0 HG2 MET A 71 4.333 4.791 -3.908 1.00 0.68 H new ATOM 0 HG3 MET A 71 5.906 5.221 -3.267 1.00 0.68 H new ATOM 0 HE1 MET A 71 4.112 8.683 -3.341 1.00 0.67 H new ATOM 0 HE2 MET A 71 3.144 7.192 -3.256 1.00 0.67 H new ATOM 0 HE3 MET A 71 4.675 7.311 -2.357 1.00 0.67 H new ATOM 1061 N MET A 72 8.014 3.410 -3.162 1.00 0.71 N ATOM 1062 CA MET A 72 8.492 3.336 -1.781 1.00 0.77 C ATOM 1063 C MET A 72 10.018 3.419 -1.716 1.00 0.84 C ATOM 1064 O MET A 72 10.610 3.326 -0.641 1.00 0.99 O ATOM 1065 CB MET A 72 7.989 2.050 -1.105 1.00 0.84 C ATOM 1066 CG MET A 72 6.736 2.258 -0.261 1.00 0.79 C ATOM 1067 SD MET A 72 5.420 3.122 -1.149 1.00 0.65 S ATOM 1068 CE MET A 72 4.200 3.327 0.149 1.00 0.64 C ATOM 0 H MET A 72 7.675 2.525 -3.539 1.00 0.71 H new ATOM 0 HA MET A 72 8.089 4.193 -1.240 1.00 0.77 H new ATOM 0 HB2 MET A 72 7.782 1.303 -1.871 1.00 0.84 H new ATOM 0 HB3 MET A 72 8.781 1.647 -0.473 1.00 0.84 H new ATOM 0 HG2 MET A 72 6.365 1.289 0.074 1.00 0.79 H new ATOM 0 HG3 MET A 72 6.997 2.825 0.632 1.00 0.79 H new ATOM 0 HE1 MET A 72 3.328 3.846 -0.250 1.00 0.64 H new ATOM 0 HE2 MET A 72 3.900 2.349 0.524 1.00 0.64 H new ATOM 0 HE3 MET A 72 4.629 3.911 0.963 1.00 0.64 H new ATOM 1078 N ALA A 73 10.649 3.600 -2.869 1.00 0.92 N ATOM 1079 CA ALA A 73 12.093 3.713 -2.945 1.00 0.99 C ATOM 1080 C ALA A 73 12.490 5.065 -3.534 1.00 1.02 C ATOM 1081 O ALA A 73 13.650 5.294 -3.883 1.00 1.21 O ATOM 1082 CB ALA A 73 12.662 2.568 -3.773 1.00 1.06 C ATOM 0 H ALA A 73 10.175 3.672 -3.769 1.00 0.92 H new ATOM 0 HA ALA A 73 12.508 3.649 -1.939 1.00 0.99 H new ATOM 0 HB1 ALA A 73 13.747 2.661 -3.825 1.00 1.06 H new ATOM 0 HB2 ALA A 73 12.401 1.618 -3.308 1.00 1.06 H new ATOM 0 HB3 ALA A 73 12.246 2.605 -4.780 1.00 1.06 H new ATOM 1088 N ARG A 74 11.515 5.961 -3.633 1.00 0.99 N ATOM 1089 CA ARG A 74 11.751 7.291 -4.180 1.00 1.04 C ATOM 1090 C ARG A 74 11.571 8.360 -3.106 1.00 0.99 C ATOM 1091 O ARG A 74 10.564 9.068 -3.075 1.00 1.02 O ATOM 1092 CB ARG A 74 10.809 7.574 -5.355 1.00 1.13 C ATOM 1093 CG ARG A 74 11.257 6.972 -6.680 1.00 1.37 C ATOM 1094 CD ARG A 74 11.475 8.054 -7.729 1.00 1.71 C ATOM 1095 NE ARG A 74 10.286 8.898 -7.923 1.00 1.78 N ATOM 1096 CZ ARG A 74 10.318 10.131 -8.444 1.00 2.20 C ATOM 1097 NH1 ARG A 74 11.459 10.645 -8.880 1.00 2.56 N ATOM 1098 NH2 ARG A 74 9.201 10.832 -8.581 1.00 2.56 N ATOM 0 H ARG A 74 10.553 5.790 -3.341 1.00 0.99 H new ATOM 0 HA ARG A 74 12.780 7.323 -4.539 1.00 1.04 H new ATOM 0 HB2 ARG A 74 9.819 7.189 -5.112 1.00 1.13 H new ATOM 0 HB3 ARG A 74 10.711 8.653 -5.475 1.00 1.13 H new ATOM 0 HG2 ARG A 74 12.180 6.411 -6.534 1.00 1.37 H new ATOM 0 HG3 ARG A 74 10.507 6.265 -7.033 1.00 1.37 H new ATOM 0 HD2 ARG A 74 12.316 8.680 -7.431 1.00 1.71 H new ATOM 0 HD3 ARG A 74 11.744 7.588 -8.677 1.00 1.71 H new ATOM 0 HE ARG A 74 9.381 8.520 -7.643 1.00 1.78 H new ATOM 0 HH11 ARG A 74 12.320 10.101 -8.820 1.00 2.56 H new ATOM 0 HH12 ARG A 74 11.477 11.585 -9.276 1.00 2.56 H new ATOM 0 HH21 ARG A 74 8.309 10.433 -8.289 1.00 2.56 H new ATOM 0 HH22 ARG A 74 9.234 11.771 -8.979 1.00 2.56 H new ATOM 1112 N LYS A 75 12.551 8.470 -2.226 1.00 1.13 N ATOM 1113 CA LYS A 75 12.505 9.451 -1.159 1.00 1.20 C ATOM 1114 C LYS A 75 13.577 10.506 -1.370 1.00 1.26 C ATOM 1115 O LYS A 75 14.764 10.189 -1.444 1.00 1.34 O ATOM 1116 CB LYS A 75 12.695 8.783 0.210 1.00 1.29 C ATOM 1117 CG LYS A 75 12.915 9.767 1.360 1.00 1.61 C ATOM 1118 CD LYS A 75 11.596 10.303 1.917 1.00 1.88 C ATOM 1119 CE LYS A 75 11.215 11.653 1.313 1.00 2.51 C ATOM 1120 NZ LYS A 75 12.013 12.767 1.892 1.00 3.25 N ATOM 0 H LYS A 75 13.390 7.890 -2.231 1.00 1.13 H new ATOM 0 HA LYS A 75 11.524 9.926 -1.178 1.00 1.20 H new ATOM 0 HB2 LYS A 75 11.818 8.174 0.430 1.00 1.29 H new ATOM 0 HB3 LYS A 75 13.548 8.106 0.157 1.00 1.29 H new ATOM 0 HG2 LYS A 75 13.471 9.274 2.157 1.00 1.61 H new ATOM 0 HG3 LYS A 75 13.527 10.600 1.012 1.00 1.61 H new ATOM 0 HD2 LYS A 75 10.802 9.583 1.720 1.00 1.88 H new ATOM 0 HD3 LYS A 75 11.675 10.402 3.000 1.00 1.88 H new ATOM 0 HE2 LYS A 75 11.365 11.623 0.234 1.00 2.51 H new ATOM 0 HE3 LYS A 75 10.155 11.840 1.483 1.00 2.51 H new ATOM 0 HZ1 LYS A 75 11.759 13.658 1.419 1.00 3.25 H new ATOM 0 HZ2 LYS A 75 11.812 12.846 2.909 1.00 3.25 H new ATOM 0 HZ3 LYS A 75 13.026 12.577 1.753 1.00 3.25 H new ATOM 1134 N MET A 76 13.139 11.754 -1.490 1.00 1.32 N ATOM 1135 CA MET A 76 14.045 12.884 -1.675 1.00 1.43 C ATOM 1136 C MET A 76 14.977 12.997 -0.478 1.00 1.44 C ATOM 1137 O MET A 76 14.644 12.524 0.614 1.00 1.49 O ATOM 1138 CB MET A 76 13.257 14.187 -1.820 1.00 1.57 C ATOM 1139 CG MET A 76 12.308 14.206 -3.000 1.00 1.80 C ATOM 1140 SD MET A 76 10.804 13.251 -2.698 1.00 2.45 S ATOM 1141 CE MET A 76 9.953 14.286 -1.508 1.00 2.59 C ATOM 0 H MET A 76 12.152 12.011 -1.462 1.00 1.32 H new ATOM 0 HA MET A 76 14.625 12.715 -2.583 1.00 1.43 H new ATOM 0 HB2 MET A 76 12.688 14.359 -0.906 1.00 1.57 H new ATOM 0 HB3 MET A 76 13.959 15.015 -1.918 1.00 1.57 H new ATOM 0 HG2 MET A 76 12.039 15.237 -3.229 1.00 1.80 H new ATOM 0 HG3 MET A 76 12.817 13.807 -3.877 1.00 1.80 H new ATOM 0 HE1 MET A 76 8.897 14.019 -1.483 1.00 2.59 H new ATOM 0 HE2 MET A 76 10.388 14.138 -0.520 1.00 2.59 H new ATOM 0 HE3 MET A 76 10.056 15.332 -1.797 1.00 2.59 H new ATOM 1151 N LYS A 77 16.114 13.647 -0.667 1.00 1.50 N ATOM 1152 CA LYS A 77 17.096 13.805 0.402 1.00 1.56 C ATOM 1153 C LYS A 77 16.659 14.897 1.380 1.00 1.66 C ATOM 1154 O LYS A 77 17.298 15.942 1.494 1.00 2.06 O ATOM 1155 CB LYS A 77 18.464 14.135 -0.199 1.00 1.64 C ATOM 1156 CG LYS A 77 19.014 13.020 -1.076 1.00 1.64 C ATOM 1157 CD LYS A 77 20.243 13.455 -1.854 1.00 1.91 C ATOM 1158 CE LYS A 77 20.893 12.267 -2.534 1.00 2.08 C ATOM 1159 NZ LYS A 77 22.060 12.663 -3.362 1.00 2.45 N ATOM 0 H LYS A 77 16.383 14.076 -1.552 1.00 1.50 H new ATOM 0 HA LYS A 77 17.169 12.869 0.955 1.00 1.56 H new ATOM 0 HB2 LYS A 77 18.384 15.048 -0.789 1.00 1.64 H new ATOM 0 HB3 LYS A 77 19.169 14.337 0.607 1.00 1.64 H new ATOM 0 HG2 LYS A 77 19.265 12.161 -0.454 1.00 1.64 H new ATOM 0 HG3 LYS A 77 18.242 12.694 -1.773 1.00 1.64 H new ATOM 0 HD2 LYS A 77 19.963 14.199 -2.600 1.00 1.91 H new ATOM 0 HD3 LYS A 77 20.956 13.931 -1.181 1.00 1.91 H new ATOM 0 HE2 LYS A 77 21.213 11.549 -1.779 1.00 2.08 H new ATOM 0 HE3 LYS A 77 20.158 11.764 -3.162 1.00 2.08 H new ATOM 0 HZ1 LYS A 77 22.472 11.818 -3.807 1.00 2.45 H new ATOM 0 HZ2 LYS A 77 21.752 13.328 -4.100 1.00 2.45 H new ATOM 0 HZ3 LYS A 77 22.774 13.120 -2.760 1.00 2.45 H new ATOM 1173 N ASP A 78 15.569 14.630 2.086 1.00 1.54 N ATOM 1174 CA ASP A 78 15.007 15.570 3.044 1.00 1.63 C ATOM 1175 C ASP A 78 14.700 14.867 4.340 1.00 1.72 C ATOM 1176 O ASP A 78 14.283 13.704 4.341 1.00 1.77 O ATOM 1177 CB ASP A 78 13.721 16.179 2.493 1.00 1.67 C ATOM 1178 CG ASP A 78 13.949 16.918 1.196 1.00 1.81 C ATOM 1179 OD1 ASP A 78 13.856 16.290 0.126 1.00 1.95 O ATOM 1180 OD2 ASP A 78 14.217 18.136 1.241 1.00 2.35 O ATOM 0 H ASP A 78 15.050 13.755 2.010 1.00 1.54 H new ATOM 0 HA ASP A 78 15.738 16.360 3.220 1.00 1.63 H new ATOM 0 HB2 ASP A 78 12.986 15.390 2.335 1.00 1.67 H new ATOM 0 HB3 ASP A 78 13.300 16.863 3.230 1.00 1.67 H new ATOM 1185 N THR A 79 14.899 15.567 5.435 1.00 1.95 N ATOM 1186 CA THR A 79 14.636 15.014 6.744 1.00 2.15 C ATOM 1187 C THR A 79 13.137 14.950 6.993 1.00 2.00 C ATOM 1188 O THR A 79 12.491 15.978 7.209 1.00 2.13 O ATOM 1189 CB THR A 79 15.300 15.867 7.833 1.00 2.65 C ATOM 1190 OG1 THR A 79 16.616 16.232 7.402 1.00 2.87 O ATOM 1191 CG2 THR A 79 15.381 15.114 9.157 1.00 3.14 C ATOM 0 H THR A 79 15.244 16.527 5.444 1.00 1.95 H new ATOM 0 HA THR A 79 15.052 14.007 6.780 1.00 2.15 H new ATOM 0 HB THR A 79 14.695 16.759 7.993 1.00 2.65 H new ATOM 0 HG1 THR A 79 17.046 16.779 8.092 1.00 2.87 H new ATOM 0 HG21 THR A 79 15.856 15.746 9.907 1.00 3.14 H new ATOM 0 HG22 THR A 79 14.376 14.851 9.488 1.00 3.14 H new ATOM 0 HG23 THR A 79 15.968 14.205 9.024 1.00 3.14 H new ATOM 1199 N ASP A 80 12.583 13.753 6.933 1.00 2.01 N ATOM 1200 CA ASP A 80 11.159 13.567 7.150 1.00 2.07 C ATOM 1201 C ASP A 80 10.897 13.045 8.558 1.00 2.26 C ATOM 1202 O ASP A 80 10.926 11.810 8.749 1.00 2.49 O ATOM 1203 CB ASP A 80 10.589 12.584 6.131 1.00 2.36 C ATOM 1204 CG ASP A 80 9.912 13.265 4.956 1.00 2.79 C ATOM 1205 OD1 ASP A 80 8.708 13.579 5.055 1.00 2.99 O ATOM 1206 OD2 ASP A 80 10.577 13.477 3.913 1.00 3.21 O ATOM 1207 OXT ASP A 80 10.659 13.869 9.469 1.00 2.37 O ATOM 0 H ASP A 80 13.097 12.894 6.736 1.00 2.01 H new ATOM 0 HA ASP A 80 10.669 14.533 7.030 1.00 2.07 H new ATOM 0 HB2 ASP A 80 11.393 11.948 5.760 1.00 2.36 H new ATOM 0 HB3 ASP A 80 9.871 11.932 6.628 1.00 2.36 H new TER 1212 ASP A 80 ATOM 1213 N ARG B 287 2.844 16.055 0.028 1.00 0.99 N ATOM 1214 CA ARG B 287 3.075 15.262 -1.199 1.00 0.79 C ATOM 1215 C ARG B 287 2.693 13.799 -0.952 1.00 0.66 C ATOM 1216 O ARG B 287 2.846 13.290 0.157 1.00 0.65 O ATOM 1217 CB ARG B 287 4.537 15.378 -1.636 1.00 0.87 C ATOM 1218 CG ARG B 287 4.761 15.016 -3.093 1.00 0.86 C ATOM 1219 CD ARG B 287 5.441 16.140 -3.861 1.00 1.18 C ATOM 1220 NE ARG B 287 4.552 17.285 -4.096 1.00 1.77 N ATOM 1221 CZ ARG B 287 4.975 18.534 -4.299 1.00 2.50 C ATOM 1222 NH1 ARG B 287 6.279 18.812 -4.280 1.00 2.87 N ATOM 1223 NH2 ARG B 287 4.085 19.496 -4.530 1.00 3.11 N ATOM 0 HA ARG B 287 2.449 15.652 -2.002 1.00 0.79 H new ATOM 0 HB2 ARG B 287 4.879 16.399 -1.466 1.00 0.87 H new ATOM 0 HB3 ARG B 287 5.148 14.728 -1.010 1.00 0.87 H new ATOM 0 HG2 ARG B 287 5.371 14.115 -3.153 1.00 0.86 H new ATOM 0 HG3 ARG B 287 3.804 14.785 -3.560 1.00 0.86 H new ATOM 0 HD2 ARG B 287 6.318 16.474 -3.307 1.00 1.18 H new ATOM 0 HD3 ARG B 287 5.795 15.758 -4.818 1.00 1.18 H new ATOM 0 HE ARG B 287 3.546 17.114 -4.105 1.00 1.77 H new ATOM 0 HH11 ARG B 287 6.956 18.069 -4.110 1.00 2.87 H new ATOM 0 HH12 ARG B 287 6.599 19.768 -4.436 1.00 2.87 H new ATOM 0 HH21 ARG B 287 3.089 19.275 -4.551 1.00 3.11 H new ATOM 0 HH22 ARG B 287 4.398 20.454 -4.686 1.00 3.11 H new ATOM 1239 N ALA B 288 2.190 13.135 -1.990 1.00 0.60 N ATOM 1240 CA ALA B 288 1.763 11.742 -1.891 1.00 0.51 C ATOM 1241 C ALA B 288 2.871 10.809 -1.436 1.00 0.50 C ATOM 1242 O ALA B 288 2.604 9.821 -0.756 1.00 0.48 O ATOM 1243 CB ALA B 288 1.214 11.270 -3.222 1.00 0.54 C ATOM 0 H ALA B 288 2.068 13.544 -2.917 1.00 0.60 H new ATOM 0 HA ALA B 288 0.985 11.709 -1.128 1.00 0.51 H new ATOM 0 HB1 ALA B 288 0.898 10.230 -3.137 1.00 0.54 H new ATOM 0 HB2 ALA B 288 0.360 11.887 -3.503 1.00 0.54 H new ATOM 0 HB3 ALA B 288 1.988 11.353 -3.985 1.00 0.54 H new ATOM 1249 N ALA B 289 4.108 11.134 -1.770 1.00 0.54 N ATOM 1250 CA ALA B 289 5.220 10.286 -1.404 1.00 0.57 C ATOM 1251 C ALA B 289 5.406 10.302 0.102 1.00 0.58 C ATOM 1252 O ALA B 289 6.182 9.530 0.596 1.00 0.65 O ATOM 1253 CB ALA B 289 6.491 10.712 -2.151 1.00 0.65 C ATOM 0 H ALA B 289 4.363 11.974 -2.290 1.00 0.54 H new ATOM 0 HA ALA B 289 5.007 9.259 -1.700 1.00 0.57 H new ATOM 0 HB1 ALA B 289 7.317 10.062 -1.863 1.00 0.65 H new ATOM 0 HB2 ALA B 289 6.325 10.633 -3.225 1.00 0.65 H new ATOM 0 HB3 ALA B 289 6.734 11.743 -1.896 1.00 0.65 H new ATOM 1259 N ASN B 290 4.797 11.265 0.812 1.00 0.56 N ATOM 1260 CA ASN B 290 4.846 11.270 2.290 1.00 0.58 C ATOM 1261 C ASN B 290 3.562 10.667 2.883 1.00 0.53 C ATOM 1262 O ASN B 290 3.610 9.901 3.843 1.00 0.53 O ATOM 1263 CB ASN B 290 5.087 12.693 2.800 1.00 0.66 C ATOM 1264 CG ASN B 290 6.157 13.373 1.969 1.00 0.74 C ATOM 1265 OD1 ASN B 290 5.903 13.802 0.843 1.00 0.76 O ATOM 1266 ND2 ASN B 290 7.364 13.465 2.501 1.00 0.87 N ATOM 0 H ASN B 290 4.274 12.038 0.400 1.00 0.56 H new ATOM 0 HA ASN B 290 5.677 10.646 2.618 1.00 0.58 H new ATOM 0 HB2 ASN B 290 4.161 13.266 2.753 1.00 0.66 H new ATOM 0 HB3 ASN B 290 5.392 12.665 3.846 1.00 0.66 H new ATOM 0 HD21 ASN B 290 8.121 13.903 1.976 1.00 0.87 H new ATOM 0 HD22 ASN B 290 7.538 13.098 3.437 1.00 0.87 H new ATOM 1273 N LEU B 291 2.427 11.008 2.266 1.00 0.51 N ATOM 1274 CA LEU B 291 1.099 10.542 2.699 1.00 0.48 C ATOM 1275 C LEU B 291 0.871 9.085 2.312 1.00 0.46 C ATOM 1276 O LEU B 291 -0.127 8.490 2.698 1.00 0.71 O ATOM 1277 CB LEU B 291 -0.005 11.448 2.116 1.00 0.50 C ATOM 1278 CG LEU B 291 -0.433 12.638 2.990 1.00 0.58 C ATOM 1279 CD1 LEU B 291 0.709 13.635 3.135 1.00 1.37 C ATOM 1280 CD2 LEU B 291 -1.669 13.320 2.399 1.00 1.18 C ATOM 0 H LEU B 291 2.399 11.617 1.448 1.00 0.51 H new ATOM 0 HA LEU B 291 1.056 10.603 3.786 1.00 0.48 H new ATOM 0 HB2 LEU B 291 0.338 11.833 1.156 1.00 0.50 H new ATOM 0 HB3 LEU B 291 -0.884 10.834 1.917 1.00 0.50 H new ATOM 0 HG LEU B 291 -0.687 12.262 3.981 1.00 0.58 H new ATOM 0 HD11 LEU B 291 0.386 14.470 3.757 1.00 1.37 H new ATOM 0 HD12 LEU B 291 1.563 13.144 3.601 1.00 1.37 H new ATOM 0 HD13 LEU B 291 0.996 14.005 2.151 1.00 1.37 H new ATOM 0 HD21 LEU B 291 -1.958 14.160 3.031 1.00 1.18 H new ATOM 0 HD22 LEU B 291 -1.441 13.681 1.396 1.00 1.18 H new ATOM 0 HD23 LEU B 291 -2.490 12.605 2.349 1.00 1.18 H new ATOM 1292 N TRP B 292 1.762 8.541 1.502 1.00 0.41 N ATOM 1293 CA TRP B 292 1.706 7.132 1.143 1.00 0.39 C ATOM 1294 C TRP B 292 2.511 6.353 2.193 1.00 0.41 C ATOM 1295 O TRP B 292 2.008 5.394 2.777 1.00 0.41 O ATOM 1296 CB TRP B 292 2.231 6.888 -0.282 1.00 0.42 C ATOM 1297 CG TRP B 292 1.151 6.840 -1.310 1.00 0.37 C ATOM 1298 CD1 TRP B 292 0.083 7.695 -1.455 1.00 0.36 C ATOM 1299 CD2 TRP B 292 1.033 5.882 -2.361 1.00 0.37 C ATOM 1300 NE1 TRP B 292 -0.672 7.320 -2.526 1.00 0.34 N ATOM 1301 CE2 TRP B 292 -0.113 6.219 -3.094 1.00 0.35 C ATOM 1302 CE3 TRP B 292 1.785 4.769 -2.761 1.00 0.40 C ATOM 1303 CZ2 TRP B 292 -0.527 5.506 -4.194 1.00 0.38 C ATOM 1304 CZ3 TRP B 292 1.358 4.054 -3.864 1.00 0.42 C ATOM 1305 CH2 TRP B 292 0.214 4.430 -4.566 1.00 0.42 C ATOM 0 H TRP B 292 2.535 9.054 1.079 1.00 0.41 H new ATOM 0 HA TRP B 292 0.672 6.786 1.138 1.00 0.39 H new ATOM 0 HB2 TRP B 292 2.935 7.678 -0.542 1.00 0.42 H new ATOM 0 HB3 TRP B 292 2.784 5.949 -0.302 1.00 0.42 H new ATOM 0 HD1 TRP B 292 -0.126 8.539 -0.815 1.00 0.36 H new ATOM 0 HE1 TRP B 292 -1.518 7.789 -2.849 1.00 0.34 H new ATOM 0 HE3 TRP B 292 2.674 4.478 -2.222 1.00 0.40 H new ATOM 0 HZ2 TRP B 292 -1.412 5.792 -4.744 1.00 0.38 H new ATOM 0 HZ3 TRP B 292 1.920 3.190 -4.187 1.00 0.42 H new ATOM 0 HH2 TRP B 292 -0.090 3.852 -5.426 1.00 0.42 H new ATOM 1316 N PRO B 293 3.796 6.728 2.420 1.00 0.44 N ATOM 1317 CA PRO B 293 4.643 6.141 3.469 1.00 0.48 C ATOM 1318 C PRO B 293 3.950 6.066 4.828 1.00 0.46 C ATOM 1319 O PRO B 293 4.137 5.102 5.569 1.00 0.47 O ATOM 1320 CB PRO B 293 5.818 7.127 3.510 1.00 0.53 C ATOM 1321 CG PRO B 293 5.984 7.459 2.106 1.00 0.54 C ATOM 1322 CD PRO B 293 4.580 7.649 1.596 1.00 0.49 C ATOM 0 HA PRO B 293 4.918 5.108 3.258 1.00 0.48 H new ATOM 0 HB2 PRO B 293 5.592 8.006 4.113 1.00 0.53 H new ATOM 0 HB3 PRO B 293 6.716 6.674 3.931 1.00 0.53 H new ATOM 0 HG2 PRO B 293 6.578 8.364 1.980 1.00 0.54 H new ATOM 0 HG3 PRO B 293 6.498 6.663 1.568 1.00 0.54 H new ATOM 0 HD2 PRO B 293 4.245 8.679 1.714 1.00 0.49 H new ATOM 0 HD3 PRO B 293 4.501 7.408 0.536 1.00 0.49 H new ATOM 1330 N SER B 294 3.142 7.080 5.148 1.00 0.47 N ATOM 1331 CA SER B 294 2.418 7.112 6.420 1.00 0.47 C ATOM 1332 C SER B 294 1.486 5.889 6.567 1.00 0.42 C ATOM 1333 O SER B 294 1.665 5.108 7.502 1.00 0.40 O ATOM 1334 CB SER B 294 1.682 8.460 6.588 1.00 0.53 C ATOM 1335 OG SER B 294 0.731 8.411 7.637 1.00 0.95 O ATOM 0 H SER B 294 2.973 7.886 4.546 1.00 0.47 H new ATOM 0 HA SER B 294 3.137 7.040 7.236 1.00 0.47 H new ATOM 0 HB2 SER B 294 2.407 9.248 6.791 1.00 0.53 H new ATOM 0 HB3 SER B 294 1.182 8.720 5.655 1.00 0.53 H new ATOM 0 HG SER B 294 0.286 9.281 7.716 1.00 0.95 H new ATOM 1341 N PRO B 295 0.468 5.695 5.689 1.00 0.44 N ATOM 1342 CA PRO B 295 -0.398 4.512 5.751 1.00 0.43 C ATOM 1343 C PRO B 295 0.400 3.218 5.795 1.00 0.40 C ATOM 1344 O PRO B 295 0.014 2.266 6.470 1.00 0.43 O ATOM 1345 CB PRO B 295 -1.198 4.597 4.456 1.00 0.50 C ATOM 1346 CG PRO B 295 -1.290 6.045 4.191 1.00 0.54 C ATOM 1347 CD PRO B 295 0.012 6.630 4.661 1.00 0.53 C ATOM 0 HA PRO B 295 -1.013 4.500 6.651 1.00 0.43 H new ATOM 0 HB2 PRO B 295 -0.697 4.073 3.642 1.00 0.50 H new ATOM 0 HB3 PRO B 295 -2.185 4.147 4.566 1.00 0.50 H new ATOM 0 HG2 PRO B 295 -1.446 6.239 3.130 1.00 0.54 H new ATOM 0 HG3 PRO B 295 -2.132 6.487 4.723 1.00 0.54 H new ATOM 0 HD2 PRO B 295 0.731 6.709 3.846 1.00 0.53 H new ATOM 0 HD3 PRO B 295 -0.124 7.633 5.065 1.00 0.53 H new ATOM 1355 N LEU B 296 1.521 3.191 5.083 1.00 0.38 N ATOM 1356 CA LEU B 296 2.375 2.015 5.070 1.00 0.37 C ATOM 1357 C LEU B 296 2.991 1.812 6.448 1.00 0.39 C ATOM 1358 O LEU B 296 3.143 0.681 6.912 1.00 0.43 O ATOM 1359 CB LEU B 296 3.476 2.146 4.016 1.00 0.38 C ATOM 1360 CG LEU B 296 4.363 0.905 3.864 1.00 0.43 C ATOM 1361 CD1 LEU B 296 3.556 -0.275 3.331 1.00 0.46 C ATOM 1362 CD2 LEU B 296 5.559 1.194 2.967 1.00 0.56 C ATOM 0 H LEU B 296 1.856 3.966 4.511 1.00 0.38 H new ATOM 0 HA LEU B 296 1.765 1.149 4.814 1.00 0.37 H new ATOM 0 HB2 LEU B 296 3.015 2.367 3.053 1.00 0.38 H new ATOM 0 HB3 LEU B 296 4.106 2.998 4.271 1.00 0.38 H new ATOM 0 HG LEU B 296 4.742 0.639 4.851 1.00 0.43 H new ATOM 0 HD11 LEU B 296 4.206 -1.145 3.231 1.00 0.46 H new ATOM 0 HD12 LEU B 296 2.746 -0.505 4.024 1.00 0.46 H new ATOM 0 HD13 LEU B 296 3.139 -0.020 2.357 1.00 0.46 H new ATOM 0 HD21 LEU B 296 6.171 0.297 2.877 1.00 0.56 H new ATOM 0 HD22 LEU B 296 5.209 1.496 1.980 1.00 0.56 H new ATOM 0 HD23 LEU B 296 6.154 1.997 3.402 1.00 0.56 H new ATOM 1374 N MET B 297 3.357 2.913 7.092 1.00 0.39 N ATOM 1375 CA MET B 297 3.915 2.859 8.432 1.00 0.42 C ATOM 1376 C MET B 297 2.856 2.303 9.375 1.00 0.41 C ATOM 1377 O MET B 297 3.155 1.529 10.286 1.00 0.45 O ATOM 1378 CB MET B 297 4.389 4.245 8.891 1.00 0.45 C ATOM 1379 CG MET B 297 5.083 4.224 10.246 1.00 0.81 C ATOM 1380 SD MET B 297 5.916 5.776 10.633 1.00 1.30 S ATOM 1381 CE MET B 297 6.566 5.403 12.262 1.00 1.79 C ATOM 0 H MET B 297 3.276 3.854 6.706 1.00 0.39 H new ATOM 0 HA MET B 297 4.789 2.207 8.437 1.00 0.42 H new ATOM 0 HB2 MET B 297 5.073 4.653 8.146 1.00 0.45 H new ATOM 0 HB3 MET B 297 3.532 4.917 8.939 1.00 0.45 H new ATOM 0 HG2 MET B 297 4.348 4.009 11.022 1.00 0.81 H new ATOM 0 HG3 MET B 297 5.811 3.413 10.263 1.00 0.81 H new ATOM 0 HE1 MET B 297 7.111 6.267 12.643 1.00 1.79 H new ATOM 0 HE2 MET B 297 5.743 5.167 12.937 1.00 1.79 H new ATOM 0 HE3 MET B 297 7.239 4.548 12.198 1.00 1.79 H new ATOM 1391 N ILE B 298 1.610 2.685 9.123 1.00 0.41 N ATOM 1392 CA ILE B 298 0.485 2.201 9.906 1.00 0.43 C ATOM 1393 C ILE B 298 0.363 0.696 9.693 1.00 0.44 C ATOM 1394 O ILE B 298 0.104 -0.058 10.630 1.00 0.47 O ATOM 1395 CB ILE B 298 -0.836 2.910 9.507 1.00 0.45 C ATOM 1396 CG1 ILE B 298 -0.739 4.424 9.741 1.00 0.47 C ATOM 1397 CG2 ILE B 298 -2.015 2.333 10.281 1.00 0.50 C ATOM 1398 CD1 ILE B 298 -0.377 4.812 11.159 1.00 0.46 C ATOM 0 H ILE B 298 1.355 3.333 8.377 1.00 0.41 H new ATOM 0 HA ILE B 298 0.662 2.423 10.958 1.00 0.43 H new ATOM 0 HB ILE B 298 -0.999 2.735 8.444 1.00 0.45 H new ATOM 0 HG12 ILE B 298 0.006 4.838 9.062 1.00 0.47 H new ATOM 0 HG13 ILE B 298 -1.694 4.882 9.484 1.00 0.47 H new ATOM 0 HG21 ILE B 298 -2.930 2.845 9.985 1.00 0.50 H new ATOM 0 HG22 ILE B 298 -2.108 1.269 10.063 1.00 0.50 H new ATOM 0 HG23 ILE B 298 -1.851 2.471 11.350 1.00 0.50 H new ATOM 0 HD11 ILE B 298 -0.329 5.898 11.238 1.00 0.46 H new ATOM 0 HD12 ILE B 298 -1.134 4.431 11.845 1.00 0.46 H new ATOM 0 HD13 ILE B 298 0.593 4.387 11.416 1.00 0.46 H new ATOM 1410 N LYS B 299 0.592 0.264 8.454 1.00 0.42 N ATOM 1411 CA LYS B 299 0.552 -1.154 8.109 1.00 0.45 C ATOM 1412 C LYS B 299 1.626 -1.895 8.887 1.00 0.45 C ATOM 1413 O LYS B 299 1.388 -2.975 9.417 1.00 0.51 O ATOM 1414 CB LYS B 299 0.784 -1.353 6.604 1.00 0.45 C ATOM 1415 CG LYS B 299 0.332 -2.714 6.094 1.00 0.44 C ATOM 1416 CD LYS B 299 1.457 -3.512 5.430 1.00 0.45 C ATOM 1417 CE LYS B 299 2.582 -3.848 6.390 1.00 0.45 C ATOM 1418 NZ LYS B 299 3.925 -3.661 5.770 1.00 0.49 N ATOM 0 H LYS B 299 0.808 0.880 7.670 1.00 0.42 H new ATOM 0 HA LYS B 299 -0.432 -1.547 8.366 1.00 0.45 H new ATOM 0 HB2 LYS B 299 0.253 -0.574 6.057 1.00 0.45 H new ATOM 0 HB3 LYS B 299 1.845 -1.227 6.388 1.00 0.45 H new ATOM 0 HG2 LYS B 299 -0.072 -3.291 6.926 1.00 0.44 H new ATOM 0 HG3 LYS B 299 -0.478 -2.576 5.378 1.00 0.44 H new ATOM 0 HD2 LYS B 299 1.048 -4.435 5.019 1.00 0.45 H new ATOM 0 HD3 LYS B 299 1.858 -2.940 4.593 1.00 0.45 H new ATOM 0 HE2 LYS B 299 2.502 -3.218 7.276 1.00 0.45 H new ATOM 0 HE3 LYS B 299 2.478 -4.881 6.722 1.00 0.45 H new ATOM 0 HZ1 LYS B 299 4.644 -3.584 6.517 1.00 0.49 H new ATOM 0 HZ2 LYS B 299 4.143 -4.476 5.162 1.00 0.49 H new ATOM 0 HZ3 LYS B 299 3.925 -2.792 5.198 1.00 0.49 H new ATOM 1432 N ARG B 300 2.815 -1.305 8.934 1.00 0.43 N ATOM 1433 CA ARG B 300 3.939 -1.887 9.654 1.00 0.47 C ATOM 1434 C ARG B 300 3.610 -1.975 11.138 1.00 0.50 C ATOM 1435 O ARG B 300 3.943 -2.953 11.803 1.00 0.54 O ATOM 1436 CB ARG B 300 5.197 -1.044 9.424 1.00 0.48 C ATOM 1437 CG ARG B 300 6.431 -1.568 10.145 1.00 1.11 C ATOM 1438 CD ARG B 300 7.704 -1.218 9.394 1.00 1.25 C ATOM 1439 NE ARG B 300 7.832 -1.987 8.163 1.00 1.44 N ATOM 1440 CZ ARG B 300 8.779 -1.777 7.251 1.00 1.91 C ATOM 1441 NH1 ARG B 300 9.642 -0.787 7.395 1.00 2.30 N ATOM 1442 NH2 ARG B 300 8.835 -2.530 6.169 1.00 2.44 N ATOM 0 H ARG B 300 3.025 -0.417 8.478 1.00 0.43 H new ATOM 0 HA ARG B 300 4.127 -2.894 9.281 1.00 0.47 H new ATOM 0 HB2 ARG B 300 5.404 -1.002 8.355 1.00 0.48 H new ATOM 0 HB3 ARG B 300 5.003 -0.023 9.752 1.00 0.48 H new ATOM 0 HG2 ARG B 300 6.473 -1.148 11.150 1.00 1.11 H new ATOM 0 HG3 ARG B 300 6.358 -2.650 10.255 1.00 1.11 H new ATOM 0 HD2 ARG B 300 7.708 -0.153 9.160 1.00 1.25 H new ATOM 0 HD3 ARG B 300 8.567 -1.407 10.033 1.00 1.25 H new ATOM 0 HE ARG B 300 7.156 -2.731 7.990 1.00 1.44 H new ATOM 0 HH11 ARG B 300 9.586 -0.176 8.210 1.00 2.30 H new ATOM 0 HH12 ARG B 300 10.364 -0.634 6.691 1.00 2.30 H new ATOM 0 HH21 ARG B 300 8.152 -3.275 6.030 1.00 2.44 H new ATOM 0 HH22 ARG B 300 9.561 -2.367 5.472 1.00 2.44 H new ATOM 1456 N SER B 301 2.927 -0.958 11.641 1.00 0.50 N ATOM 1457 CA SER B 301 2.527 -0.923 13.038 1.00 0.55 C ATOM 1458 C SER B 301 1.487 -2.000 13.304 1.00 0.59 C ATOM 1459 O SER B 301 1.458 -2.598 14.375 1.00 0.66 O ATOM 1460 CB SER B 301 1.980 0.463 13.393 1.00 0.56 C ATOM 1461 OG SER B 301 2.925 1.468 13.071 1.00 0.59 O ATOM 0 H SER B 301 2.638 -0.143 11.100 1.00 0.50 H new ATOM 0 HA SER B 301 3.396 -1.119 13.667 1.00 0.55 H new ATOM 0 HB2 SER B 301 1.051 0.643 12.852 1.00 0.56 H new ATOM 0 HB3 SER B 301 1.743 0.505 14.456 1.00 0.56 H new ATOM 0 HG SER B 301 3.009 1.538 12.097 1.00 0.59 H new ATOM 1467 N LYS B 302 0.652 -2.260 12.311 1.00 0.58 N ATOM 1468 CA LYS B 302 -0.371 -3.278 12.433 1.00 0.65 C ATOM 1469 C LYS B 302 0.269 -4.652 12.269 1.00 0.68 C ATOM 1470 O LYS B 302 -0.203 -5.639 12.823 1.00 0.76 O ATOM 1471 CB LYS B 302 -1.474 -3.063 11.384 1.00 0.66 C ATOM 1472 CG LYS B 302 -2.733 -3.905 11.613 1.00 1.21 C ATOM 1473 CD LYS B 302 -2.621 -5.292 10.985 1.00 1.38 C ATOM 1474 CE LYS B 302 -3.406 -6.334 11.771 1.00 2.10 C ATOM 1475 NZ LYS B 302 -2.752 -6.666 13.066 1.00 2.44 N ATOM 0 H LYS B 302 0.665 -1.778 11.412 1.00 0.58 H new ATOM 0 HA LYS B 302 -0.832 -3.212 13.419 1.00 0.65 H new ATOM 0 HB2 LYS B 302 -1.752 -2.009 11.377 1.00 0.66 H new ATOM 0 HB3 LYS B 302 -1.071 -3.293 10.398 1.00 0.66 H new ATOM 0 HG2 LYS B 302 -2.911 -4.006 12.684 1.00 1.21 H new ATOM 0 HG3 LYS B 302 -3.596 -3.387 11.194 1.00 1.21 H new ATOM 0 HD2 LYS B 302 -2.989 -5.257 9.959 1.00 1.38 H new ATOM 0 HD3 LYS B 302 -1.572 -5.586 10.938 1.00 1.38 H new ATOM 0 HE2 LYS B 302 -4.414 -5.963 11.959 1.00 2.10 H new ATOM 0 HE3 LYS B 302 -3.506 -7.240 11.173 1.00 2.10 H new ATOM 0 HZ1 LYS B 302 -2.996 -7.639 13.339 1.00 2.44 H new ATOM 0 HZ2 LYS B 302 -1.720 -6.583 12.965 1.00 2.44 H new ATOM 0 HZ3 LYS B 302 -3.082 -6.008 13.800 1.00 2.44 H new ATOM 1489 N LYS B 303 1.347 -4.705 11.491 1.00 0.62 N ATOM 1490 CA LYS B 303 2.071 -5.946 11.266 1.00 0.65 C ATOM 1491 C LYS B 303 2.787 -6.322 12.549 1.00 0.72 C ATOM 1492 O LYS B 303 2.934 -7.496 12.880 1.00 0.82 O ATOM 1493 CB LYS B 303 3.065 -5.800 10.107 1.00 0.58 C ATOM 1494 CG LYS B 303 3.336 -7.105 9.370 1.00 0.55 C ATOM 1495 CD LYS B 303 4.735 -7.638 9.648 1.00 0.66 C ATOM 1496 CE LYS B 303 5.065 -8.833 8.769 1.00 0.77 C ATOM 1497 NZ LYS B 303 4.866 -8.523 7.333 1.00 0.70 N ATOM 0 H LYS B 303 1.737 -3.897 11.005 1.00 0.62 H new ATOM 0 HA LYS B 303 1.371 -6.734 10.990 1.00 0.65 H new ATOM 0 HB2 LYS B 303 2.680 -5.066 9.399 1.00 0.58 H new ATOM 0 HB3 LYS B 303 4.006 -5.408 10.493 1.00 0.58 H new ATOM 0 HG2 LYS B 303 2.598 -7.850 9.669 1.00 0.55 H new ATOM 0 HG3 LYS B 303 3.214 -6.948 8.298 1.00 0.55 H new ATOM 0 HD2 LYS B 303 5.466 -6.848 9.478 1.00 0.66 H new ATOM 0 HD3 LYS B 303 4.814 -7.925 10.697 1.00 0.66 H new ATOM 0 HE2 LYS B 303 6.099 -9.135 8.937 1.00 0.77 H new ATOM 0 HE3 LYS B 303 4.436 -9.678 9.050 1.00 0.77 H new ATOM 0 HZ1 LYS B 303 5.317 -9.259 6.753 1.00 0.70 H new ATOM 0 HZ2 LYS B 303 3.848 -8.491 7.123 1.00 0.70 H new ATOM 0 HZ3 LYS B 303 5.293 -7.600 7.115 1.00 0.70 H new ATOM 1511 N ASN B 304 3.221 -5.303 13.275 1.00 0.69 N ATOM 1512 CA ASN B 304 3.883 -5.507 14.547 1.00 0.78 C ATOM 1513 C ASN B 304 2.820 -5.820 15.597 1.00 0.88 C ATOM 1514 O ASN B 304 3.023 -6.660 16.472 1.00 1.04 O ATOM 1515 CB ASN B 304 4.698 -4.263 14.930 1.00 0.78 C ATOM 1516 CG ASN B 304 5.392 -4.393 16.278 1.00 0.92 C ATOM 1517 OD1 ASN B 304 4.837 -4.033 17.317 1.00 1.13 O ATOM 1518 ND2 ASN B 304 6.624 -4.883 16.270 1.00 1.16 N ATOM 0 H ASN B 304 3.125 -4.325 13.001 1.00 0.69 H new ATOM 0 HA ASN B 304 4.580 -6.342 14.481 1.00 0.78 H new ATOM 0 HB2 ASN B 304 5.446 -4.075 14.160 1.00 0.78 H new ATOM 0 HB3 ASN B 304 4.038 -3.396 14.951 1.00 0.78 H new ATOM 0 HD21 ASN B 304 7.143 -4.972 17.143 1.00 1.16 H new ATOM 0 HD22 ASN B 304 7.052 -5.171 15.390 1.00 1.16 H new ATOM 1525 N SER B 305 1.696 -5.103 15.517 1.00 0.82 N ATOM 1526 CA SER B 305 0.564 -5.311 16.417 1.00 0.93 C ATOM 1527 C SER B 305 -0.471 -6.272 15.799 1.00 1.13 C ATOM 1528 O SER B 305 -0.200 -7.492 15.737 1.00 1.39 O ATOM 1529 CB SER B 305 -0.064 -3.954 16.771 1.00 0.87 C ATOM 1530 OG SER B 305 0.950 -2.992 17.043 1.00 1.00 O ATOM 1531 OXT SER B 305 -1.549 -5.808 15.372 1.00 1.26 O ATOM 0 H SER B 305 1.548 -4.365 14.828 1.00 0.82 H new ATOM 0 HA SER B 305 0.920 -5.780 17.334 1.00 0.93 H new ATOM 0 HB2 SER B 305 -0.689 -3.610 15.947 1.00 0.87 H new ATOM 0 HB3 SER B 305 -0.713 -4.062 17.640 1.00 0.87 H new ATOM 0 HG SER B 305 1.338 -2.678 16.200 1.00 1.00 H new TER 1537 SER B 305 HETATM 1538 CA CA A 181 -8.765 -2.157 -3.736 1.00 0.45 CA HETATM 1539 CA CA A 182 0.004 3.728 -11.838 1.00 0.54 CA