USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 TYR OH : rot 180:sc= -1.41 USER MOD Set 1.2: B 54 GLN : amide:sc= 0.00515 X(o=-1.4,f=-1.8) USER MOD Set 2.1: B 31 SER OG : rot 180:sc= 0.142 USER MOD Set 2.2: B 34 THR OG1 : rot -120:sc= 0.567 USER MOD Set 3.1: B 16 SER OG : rot -8:sc= 1.23 USER MOD Set 3.2: B 19 THR OG1 : rot -138:sc= 0.744 USER MOD Set 4.1: B 7 TYR OH : rot -84:sc= 0.997 USER MOD Set 4.2: B 17 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 31 SER OG : rot -18:sc= 0.368 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.42 USER MOD Set 6.1: A 18 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.76) USER MOD Set 6.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -80:sc= 0.51 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.832 K(o=-0.83,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.065) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -0.081 (180deg=-0.472) USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.635) USER MOD Single : A 42 MET CE :methyl 171:sc= -1.99 (180deg=-2.31) USER MOD Single : A 46 ASN : amide:sc= -0.55 K(o=-0.55,f=-0.025) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.404 K(o=0.4,f=-3.9!) USER MOD Single : A 55 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.76) USER MOD Single : B 5 THR OG1 : rot -90:sc= -0.0769! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot -170:sc= -0.717 USER MOD Single : B 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0008) USER MOD Single : B 29 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-0.14) USER MOD Single : B 33 LYS NZ :NH3+ 159:sc= -0.0909 (180deg=-0.629) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -152:sc= 0 (180deg=-0.795) USER MOD Single : B 46 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : B 50 ASN : amide:sc= -2.14 K(o=-2.1,f=-9.2!) USER MOD Single : B 55 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.682 -10.053 11.969 1.00 0.87 N ATOM 43 CA PRO A 3 5.787 -10.091 11.006 1.00 0.67 C ATOM 44 C PRO A 3 6.624 -8.821 11.041 1.00 0.57 C ATOM 45 O PRO A 3 6.092 -7.711 11.122 1.00 0.62 O ATOM 46 CB PRO A 3 5.096 -10.230 9.645 1.00 0.89 C ATOM 47 CG PRO A 3 3.693 -10.634 9.953 1.00 1.30 C ATOM 48 CD PRO A 3 3.377 -10.042 11.296 1.00 1.15 C ATOM 0 HA PRO A 3 6.478 -10.905 11.226 1.00 0.67 H new ATOM 0 HB2 PRO A 3 5.122 -9.290 9.093 1.00 0.89 H new ATOM 0 HB3 PRO A 3 5.593 -10.977 9.026 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.005 -10.265 9.192 1.00 1.30 H new ATOM 0 HG3 PRO A 3 3.595 -11.719 9.972 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.975 -9.033 11.209 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.638 -10.634 11.836 1.00 1.15 H new ATOM 56 N VAL A 4 7.933 -8.991 10.968 1.00 0.48 N ATOM 57 CA VAL A 4 8.857 -7.875 10.990 1.00 0.41 C ATOM 58 C VAL A 4 9.024 -7.315 9.589 1.00 0.36 C ATOM 59 O VAL A 4 9.130 -8.070 8.622 1.00 0.37 O ATOM 60 CB VAL A 4 10.226 -8.301 11.552 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.210 -7.143 11.557 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.060 -8.856 12.952 1.00 0.54 C ATOM 0 H VAL A 4 8.382 -9.904 10.892 1.00 0.48 H new ATOM 0 HA VAL A 4 8.446 -7.104 11.642 1.00 0.41 H new ATOM 0 HB VAL A 4 10.631 -9.077 10.903 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.165 -7.479 11.960 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.352 -6.782 10.538 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.819 -6.336 12.176 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.033 -9.155 13.343 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.629 -8.091 13.598 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.398 -9.722 12.924 1.00 0.54 H new ATOM 72 N THR A 5 9.043 -5.997 9.493 1.00 0.33 N ATOM 73 CA THR A 5 9.177 -5.323 8.218 1.00 0.31 C ATOM 74 C THR A 5 10.588 -4.776 8.055 1.00 0.26 C ATOM 75 O THR A 5 11.368 -4.753 9.008 1.00 0.26 O ATOM 76 CB THR A 5 8.141 -4.177 8.088 1.00 0.36 C ATOM 77 OG1 THR A 5 8.754 -2.917 8.376 1.00 0.37 O ATOM 78 CG2 THR A 5 6.970 -4.396 9.039 1.00 0.41 C ATOM 0 H THR A 5 8.966 -5.369 10.293 1.00 0.33 H new ATOM 0 HA THR A 5 8.986 -6.049 7.428 1.00 0.31 H new ATOM 0 HB THR A 5 7.770 -4.175 7.063 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.817 -2.798 9.347 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.256 -3.580 8.931 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.480 -5.341 8.802 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.335 -4.424 10.066 1.00 0.41 H new ATOM 86 N LEU A 6 10.917 -4.341 6.847 1.00 0.24 N ATOM 87 CA LEU A 6 12.239 -3.796 6.564 1.00 0.20 C ATOM 88 C LEU A 6 12.500 -2.524 7.376 1.00 0.21 C ATOM 89 O LEU A 6 13.647 -2.103 7.532 1.00 0.20 O ATOM 90 CB LEU A 6 12.401 -3.514 5.062 1.00 0.21 C ATOM 91 CG LEU A 6 11.756 -2.225 4.537 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.140 -2.003 3.084 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.239 -2.272 4.666 1.00 0.29 C ATOM 0 H LEU A 6 10.286 -4.355 6.045 1.00 0.24 H new ATOM 0 HA LEU A 6 12.976 -4.543 6.859 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.466 -3.481 4.834 1.00 0.21 H new ATOM 0 HB3 LEU A 6 11.983 -4.355 4.509 1.00 0.21 H new ATOM 0 HG LEU A 6 12.125 -1.397 5.142 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.677 -1.085 2.721 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.224 -1.919 3.003 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.795 -2.845 2.484 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.813 -1.344 4.285 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.851 -3.113 4.091 1.00 0.29 H new ATOM 0 HD23 LEU A 6 9.967 -2.393 5.714 1.00 0.29 H new ATOM 105 N TYR A 7 11.432 -1.933 7.911 1.00 0.25 N ATOM 106 CA TYR A 7 11.552 -0.719 8.707 1.00 0.28 C ATOM 107 C TYR A 7 12.087 -1.046 10.088 1.00 0.28 C ATOM 108 O TYR A 7 12.909 -0.312 10.633 1.00 0.30 O ATOM 109 CB TYR A 7 10.198 -0.011 8.841 1.00 0.34 C ATOM 110 CG TYR A 7 9.692 0.615 7.560 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.252 1.788 7.070 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.650 0.037 6.845 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.786 2.364 5.904 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.181 0.609 5.680 1.00 0.44 C ATOM 115 CZ TYR A 7 8.751 1.772 5.215 1.00 0.44 C ATOM 116 OH TYR A 7 8.285 2.349 4.056 1.00 0.49 O ATOM 0 H TYR A 7 10.477 -2.277 7.806 1.00 0.25 H new ATOM 0 HA TYR A 7 12.246 -0.053 8.195 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.459 -0.729 9.197 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.281 0.765 9.602 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.063 2.256 7.608 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.200 -0.875 7.207 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.232 3.275 5.534 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.371 0.146 5.136 1.00 0.44 H new ATOM 0 HH TYR A 7 7.554 1.807 3.692 1.00 0.49 H new ATOM 126 N ASP A 8 11.633 -2.166 10.633 1.00 0.28 N ATOM 127 CA ASP A 8 12.056 -2.590 11.961 1.00 0.29 C ATOM 128 C ASP A 8 13.519 -3.001 11.939 1.00 0.24 C ATOM 129 O ASP A 8 14.263 -2.757 12.891 1.00 0.25 O ATOM 130 CB ASP A 8 11.200 -3.752 12.458 1.00 0.35 C ATOM 131 CG ASP A 8 10.720 -3.551 13.882 1.00 0.93 C ATOM 132 OD1 ASP A 8 11.241 -2.649 14.569 1.00 1.51 O ATOM 133 OD2 ASP A 8 9.808 -4.287 14.313 1.00 1.75 O ATOM 0 H ASP A 8 10.973 -2.796 10.178 1.00 0.28 H new ATOM 0 HA ASP A 8 11.929 -1.749 12.643 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.339 -3.872 11.801 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.777 -4.675 12.399 1.00 0.35 H new ATOM 138 N VAL A 9 13.925 -3.628 10.839 1.00 0.21 N ATOM 139 CA VAL A 9 15.303 -4.072 10.668 1.00 0.19 C ATOM 140 C VAL A 9 16.215 -2.863 10.532 1.00 0.18 C ATOM 141 O VAL A 9 17.308 -2.824 11.095 1.00 0.20 O ATOM 142 CB VAL A 9 15.444 -4.964 9.421 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.841 -5.548 9.317 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.400 -6.066 9.444 1.00 0.22 C ATOM 0 H VAL A 9 13.315 -3.841 10.049 1.00 0.21 H new ATOM 0 HA VAL A 9 15.587 -4.655 11.544 1.00 0.19 H new ATOM 0 HB VAL A 9 15.279 -4.345 8.539 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.909 -6.173 8.426 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.569 -4.740 9.249 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.050 -6.151 10.200 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.510 -6.690 8.557 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.535 -6.677 10.337 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.404 -5.623 9.455 1.00 0.22 H new ATOM 154 N ALA A 10 15.745 -1.879 9.773 1.00 0.19 N ATOM 155 CA ALA A 10 16.481 -0.639 9.562 1.00 0.22 C ATOM 156 C ALA A 10 16.725 0.084 10.880 1.00 0.26 C ATOM 157 O ALA A 10 17.828 0.567 11.133 1.00 0.30 O ATOM 158 CB ALA A 10 15.728 0.265 8.593 1.00 0.26 C ATOM 0 H ALA A 10 14.848 -1.918 9.289 1.00 0.19 H new ATOM 0 HA ALA A 10 17.450 -0.890 9.130 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.289 1.187 8.445 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.609 -0.245 7.637 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.746 0.500 9.003 1.00 0.26 H new ATOM 164 N GLU A 11 15.697 0.133 11.722 1.00 0.29 N ATOM 165 CA GLU A 11 15.794 0.804 13.018 1.00 0.35 C ATOM 166 C GLU A 11 16.771 0.086 13.946 1.00 0.37 C ATOM 167 O GLU A 11 17.423 0.712 14.781 1.00 0.46 O ATOM 168 CB GLU A 11 14.418 0.882 13.685 1.00 0.37 C ATOM 169 CG GLU A 11 13.401 1.713 12.916 1.00 0.94 C ATOM 170 CD GLU A 11 13.833 3.152 12.733 1.00 1.51 C ATOM 171 OE1 GLU A 11 13.660 3.951 13.677 1.00 2.21 O ATOM 172 OE2 GLU A 11 14.343 3.489 11.642 1.00 2.14 O ATOM 0 H GLU A 11 14.786 -0.284 11.532 1.00 0.29 H new ATOM 0 HA GLU A 11 16.167 1.812 12.837 1.00 0.35 H new ATOM 0 HB2 GLU A 11 14.028 -0.128 13.807 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.534 1.302 14.684 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.236 1.261 11.938 1.00 0.94 H new ATOM 0 HG3 GLU A 11 12.447 1.690 13.443 1.00 0.94 H new ATOM 179 N TYR A 12 16.883 -1.226 13.793 1.00 0.32 N ATOM 180 CA TYR A 12 17.778 -2.011 14.636 1.00 0.38 C ATOM 181 C TYR A 12 19.219 -1.926 14.140 1.00 0.38 C ATOM 182 O TYR A 12 20.160 -1.913 14.938 1.00 0.45 O ATOM 183 CB TYR A 12 17.323 -3.473 14.682 1.00 0.39 C ATOM 184 CG TYR A 12 17.980 -4.288 15.775 1.00 0.47 C ATOM 185 CD1 TYR A 12 19.219 -4.882 15.580 1.00 1.38 C ATOM 186 CD2 TYR A 12 17.360 -4.457 17.006 1.00 1.10 C ATOM 187 CE1 TYR A 12 19.821 -5.619 16.578 1.00 1.49 C ATOM 188 CE2 TYR A 12 17.956 -5.190 18.011 1.00 1.07 C ATOM 189 CZ TYR A 12 19.185 -5.768 17.792 1.00 0.69 C ATOM 190 OH TYR A 12 19.782 -6.493 18.793 1.00 0.82 O ATOM 0 H TYR A 12 16.369 -1.768 13.098 1.00 0.32 H new ATOM 0 HA TYR A 12 17.739 -1.595 15.643 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.242 -3.502 14.821 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.533 -3.939 13.719 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.720 -4.765 14.631 1.00 1.38 H new ATOM 0 HD2 TYR A 12 16.394 -4.006 17.180 1.00 1.10 H new ATOM 0 HE1 TYR A 12 20.785 -6.077 16.410 1.00 1.49 H new ATOM 0 HE2 TYR A 12 17.461 -5.309 18.963 1.00 1.07 H new ATOM 0 HH TYR A 12 19.202 -6.499 19.583 1.00 0.82 H new ATOM 200 N ALA A 13 19.393 -1.857 12.828 1.00 0.33 N ATOM 201 CA ALA A 13 20.726 -1.796 12.244 1.00 0.36 C ATOM 202 C ALA A 13 21.240 -0.365 12.179 1.00 0.39 C ATOM 203 O ALA A 13 22.424 -0.129 11.918 1.00 0.46 O ATOM 204 CB ALA A 13 20.719 -2.427 10.859 1.00 0.33 C ATOM 0 H ALA A 13 18.631 -1.842 12.150 1.00 0.33 H new ATOM 0 HA ALA A 13 21.403 -2.359 12.886 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.720 -2.376 10.431 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.409 -3.469 10.936 1.00 0.33 H new ATOM 0 HB3 ALA A 13 20.022 -1.888 10.217 1.00 0.33 H new ATOM 210 N GLY A 14 20.344 0.583 12.424 1.00 0.38 N ATOM 211 CA GLY A 14 20.710 1.984 12.382 1.00 0.43 C ATOM 212 C GLY A 14 20.915 2.448 10.956 1.00 0.43 C ATOM 213 O GLY A 14 21.821 3.231 10.660 1.00 0.52 O ATOM 0 H GLY A 14 19.366 0.404 12.652 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.930 2.582 12.854 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.624 2.142 12.955 1.00 0.43 H new ATOM 217 N VAL A 15 20.061 1.952 10.072 1.00 0.35 N ATOM 218 CA VAL A 15 20.132 2.275 8.659 1.00 0.35 C ATOM 219 C VAL A 15 18.758 2.647 8.138 1.00 0.34 C ATOM 220 O VAL A 15 17.819 2.840 8.910 1.00 0.36 O ATOM 221 CB VAL A 15 20.664 1.082 7.829 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.105 0.782 8.193 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.803 -0.156 8.032 1.00 0.28 C ATOM 0 H VAL A 15 19.302 1.316 10.316 1.00 0.35 H new ATOM 0 HA VAL A 15 20.819 3.115 8.554 1.00 0.35 H new ATOM 0 HB VAL A 15 20.617 1.360 6.776 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.462 -0.060 7.600 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.722 1.657 7.989 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.168 0.532 9.252 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.201 -0.978 7.437 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.810 -0.435 9.086 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.781 0.057 7.719 1.00 0.28 H new ATOM 233 N SER A 16 18.649 2.752 6.830 1.00 0.35 N ATOM 234 CA SER A 16 17.386 3.074 6.212 1.00 0.35 C ATOM 235 C SER A 16 16.716 1.801 5.727 1.00 0.32 C ATOM 236 O SER A 16 17.392 0.802 5.472 1.00 0.32 O ATOM 237 CB SER A 16 17.616 4.046 5.066 1.00 0.40 C ATOM 238 OG SER A 16 18.542 5.039 5.457 1.00 1.26 O ATOM 0 H SER A 16 19.421 2.619 6.177 1.00 0.35 H new ATOM 0 HA SER A 16 16.727 3.550 6.938 1.00 0.35 H new ATOM 0 HB2 SER A 16 17.990 3.511 4.193 1.00 0.40 H new ATOM 0 HB3 SER A 16 16.673 4.510 4.776 1.00 0.40 H new ATOM 0 HG SER A 16 18.688 5.661 4.714 1.00 1.26 H new ATOM 244 N TYR A 17 15.396 1.824 5.617 1.00 0.32 N ATOM 245 CA TYR A 17 14.660 0.651 5.161 1.00 0.30 C ATOM 246 C TYR A 17 15.136 0.227 3.779 1.00 0.31 C ATOM 247 O TYR A 17 15.154 -0.959 3.448 1.00 0.30 O ATOM 248 CB TYR A 17 13.151 0.911 5.155 1.00 0.33 C ATOM 249 CG TYR A 17 12.692 1.996 4.202 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.783 3.335 4.554 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.146 1.677 2.965 1.00 1.27 C ATOM 252 CE1 TYR A 17 12.344 4.325 3.701 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.711 2.663 2.104 1.00 1.32 C ATOM 254 CZ TYR A 17 11.810 3.983 2.477 1.00 0.54 C ATOM 255 OH TYR A 17 11.370 4.967 1.624 1.00 0.65 O ATOM 0 H TYR A 17 14.815 2.634 5.835 1.00 0.32 H new ATOM 0 HA TYR A 17 14.856 -0.161 5.861 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.639 -0.017 4.900 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.840 1.179 6.165 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.204 3.606 5.511 1.00 1.14 H new ATOM 0 HD2 TYR A 17 12.061 0.641 2.673 1.00 1.27 H new ATOM 0 HE1 TYR A 17 12.418 5.363 3.990 1.00 1.16 H new ATOM 0 HE2 TYR A 17 11.295 2.400 1.143 1.00 1.32 H new ATOM 0 HH TYR A 17 11.023 4.558 0.804 1.00 0.65 H new ATOM 265 N GLN A 18 15.537 1.207 2.979 1.00 0.35 N ATOM 266 CA GLN A 18 16.038 0.936 1.646 1.00 0.37 C ATOM 267 C GLN A 18 17.359 0.193 1.727 1.00 0.33 C ATOM 268 O GLN A 18 17.631 -0.691 0.919 1.00 0.34 O ATOM 269 CB GLN A 18 16.203 2.231 0.860 1.00 0.46 C ATOM 270 CG GLN A 18 15.250 2.335 -0.314 1.00 0.77 C ATOM 271 CD GLN A 18 15.505 1.270 -1.361 1.00 0.50 C ATOM 272 OE1 GLN A 18 16.222 1.500 -2.326 1.00 0.66 O ATOM 273 NE2 GLN A 18 14.903 0.104 -1.183 1.00 1.09 N ATOM 0 H GLN A 18 15.523 2.195 3.234 1.00 0.35 H new ATOM 0 HA GLN A 18 15.314 0.310 1.123 1.00 0.37 H new ATOM 0 HB2 GLN A 18 16.043 3.078 1.527 1.00 0.46 H new ATOM 0 HB3 GLN A 18 17.228 2.301 0.496 1.00 0.46 H new ATOM 0 HG2 GLN A 18 14.225 2.249 0.045 1.00 0.77 H new ATOM 0 HG3 GLN A 18 15.346 3.320 -0.771 1.00 0.77 H new ATOM 0 HE21 GLN A 18 14.314 -0.046 -0.364 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.029 -0.644 -1.865 1.00 1.09 H new ATOM 282 N THR A 19 18.161 0.546 2.724 1.00 0.33 N ATOM 283 CA THR A 19 19.447 -0.097 2.944 1.00 0.34 C ATOM 284 C THR A 19 19.223 -1.570 3.229 1.00 0.29 C ATOM 285 O THR A 19 19.918 -2.441 2.701 1.00 0.31 O ATOM 286 CB THR A 19 20.189 0.556 4.119 1.00 0.39 C ATOM 287 OG1 THR A 19 20.132 1.981 3.981 1.00 0.49 O ATOM 288 CG2 THR A 19 21.636 0.098 4.176 1.00 0.45 C ATOM 0 H THR A 19 17.939 1.280 3.397 1.00 0.33 H new ATOM 0 HA THR A 19 20.059 0.019 2.049 1.00 0.34 H new ATOM 0 HB THR A 19 19.705 0.254 5.048 1.00 0.39 H new ATOM 0 HG1 THR A 19 20.732 2.397 4.634 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.136 0.577 5.018 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.670 -0.984 4.301 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.141 0.372 3.250 1.00 0.45 H new ATOM 296 N VAL A 20 18.228 -1.827 4.064 1.00 0.25 N ATOM 297 CA VAL A 20 17.841 -3.183 4.412 1.00 0.21 C ATOM 298 C VAL A 20 17.416 -3.940 3.160 1.00 0.20 C ATOM 299 O VAL A 20 17.852 -5.063 2.928 1.00 0.24 O ATOM 300 CB VAL A 20 16.684 -3.173 5.429 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.154 -4.576 5.691 1.00 0.23 C ATOM 302 CG2 VAL A 20 17.143 -2.532 6.720 1.00 0.24 C ATOM 0 H VAL A 20 17.669 -1.104 4.517 1.00 0.25 H new ATOM 0 HA VAL A 20 18.699 -3.681 4.863 1.00 0.21 H new ATOM 0 HB VAL A 20 15.866 -2.589 5.006 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.339 -4.528 6.413 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.788 -5.007 4.759 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.955 -5.199 6.089 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.321 -2.527 7.436 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.979 -3.099 7.131 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.460 -1.508 6.525 1.00 0.24 H new ATOM 312 N SER A 21 16.594 -3.289 2.341 1.00 0.22 N ATOM 313 CA SER A 21 16.100 -3.877 1.105 1.00 0.25 C ATOM 314 C SER A 21 17.254 -4.259 0.182 1.00 0.27 C ATOM 315 O SER A 21 17.197 -5.287 -0.496 1.00 0.32 O ATOM 316 CB SER A 21 15.146 -2.898 0.412 1.00 0.32 C ATOM 317 OG SER A 21 14.786 -3.342 -0.883 1.00 0.87 O ATOM 0 H SER A 21 16.254 -2.343 2.517 1.00 0.22 H new ATOM 0 HA SER A 21 15.555 -4.790 1.344 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.248 -2.776 1.017 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.618 -1.918 0.342 1.00 0.32 H new ATOM 0 HG SER A 21 14.176 -2.694 -1.293 1.00 0.87 H new ATOM 323 N ARG A 22 18.309 -3.447 0.182 1.00 0.30 N ATOM 324 CA ARG A 22 19.478 -3.721 -0.653 1.00 0.40 C ATOM 325 C ARG A 22 20.124 -5.032 -0.220 1.00 0.39 C ATOM 326 O ARG A 22 20.565 -5.828 -1.049 1.00 0.58 O ATOM 327 CB ARG A 22 20.519 -2.594 -0.553 1.00 0.51 C ATOM 328 CG ARG A 22 19.967 -1.194 -0.769 1.00 0.82 C ATOM 329 CD ARG A 22 19.753 -0.872 -2.242 1.00 0.75 C ATOM 330 NE ARG A 22 19.393 0.535 -2.432 1.00 0.73 N ATOM 331 CZ ARG A 22 19.072 1.079 -3.605 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.038 0.340 -4.705 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.781 2.370 -3.677 1.00 1.28 N ATOM 0 H ARG A 22 18.379 -2.600 0.746 1.00 0.30 H new ATOM 0 HA ARG A 22 19.139 -3.789 -1.687 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.987 -2.637 0.431 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.303 -2.777 -1.287 1.00 0.51 H new ATOM 0 HG2 ARG A 22 19.021 -1.094 -0.237 1.00 0.82 H new ATOM 0 HG3 ARG A 22 20.654 -0.466 -0.337 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.661 -1.096 -2.801 1.00 0.75 H new ATOM 0 HD3 ARG A 22 18.966 -1.509 -2.645 1.00 0.75 H new ATOM 0 HE ARG A 22 19.388 1.139 -1.610 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.259 -0.655 -4.658 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.791 0.766 -5.598 1.00 2.03 H new ATOM 0 HH21 ARG A 22 18.803 2.945 -2.835 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.535 2.788 -4.574 1.00 1.28 H new ATOM 347 N VAL A 23 20.136 -5.257 1.090 1.00 0.29 N ATOM 348 CA VAL A 23 20.735 -6.450 1.675 1.00 0.33 C ATOM 349 C VAL A 23 19.845 -7.664 1.470 1.00 0.34 C ATOM 350 O VAL A 23 20.328 -8.751 1.158 1.00 0.43 O ATOM 351 CB VAL A 23 20.994 -6.256 3.179 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.643 -7.491 3.786 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.853 -5.026 3.411 1.00 0.33 C ATOM 0 H VAL A 23 19.731 -4.618 1.774 1.00 0.29 H new ATOM 0 HA VAL A 23 21.686 -6.617 1.169 1.00 0.33 H new ATOM 0 HB VAL A 23 20.035 -6.107 3.675 1.00 0.34 H new ATOM 0 HG11 VAL A 23 21.815 -7.326 4.850 1.00 0.44 H new ATOM 0 HG12 VAL A 23 20.985 -8.350 3.653 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.595 -7.683 3.290 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.028 -4.901 4.480 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.807 -5.147 2.898 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.341 -4.146 3.022 1.00 0.33 H new ATOM 363 N VAL A 24 18.551 -7.473 1.670 1.00 0.29 N ATOM 364 CA VAL A 24 17.583 -8.546 1.486 1.00 0.32 C ATOM 365 C VAL A 24 17.552 -8.990 0.025 1.00 0.34 C ATOM 366 O VAL A 24 17.519 -10.185 -0.277 1.00 0.41 O ATOM 367 CB VAL A 24 16.167 -8.115 1.919 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.185 -9.265 1.766 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.176 -7.610 3.353 1.00 0.35 C ATOM 0 H VAL A 24 18.145 -6.584 1.960 1.00 0.29 H new ATOM 0 HA VAL A 24 17.897 -9.378 2.116 1.00 0.32 H new ATOM 0 HB VAL A 24 15.845 -7.301 1.269 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.192 -8.940 2.077 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.153 -9.580 0.723 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.504 -10.101 2.388 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.168 -7.311 3.640 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.521 -8.403 4.016 1.00 0.35 H new ATOM 0 HG23 VAL A 24 16.845 -6.753 3.433 1.00 0.35 H new ATOM 379 N ASN A 25 17.556 -8.015 -0.880 1.00 0.33 N ATOM 380 CA ASN A 25 17.539 -8.295 -2.313 1.00 0.42 C ATOM 381 C ASN A 25 18.882 -8.825 -2.791 1.00 0.76 C ATOM 382 O ASN A 25 18.941 -9.608 -3.742 1.00 0.94 O ATOM 383 CB ASN A 25 17.179 -7.039 -3.107 1.00 0.83 C ATOM 384 CG ASN A 25 15.687 -6.879 -3.297 1.00 1.11 C ATOM 385 OD1 ASN A 25 15.232 -6.349 -4.309 1.00 1.72 O ATOM 386 ND2 ASN A 25 14.914 -7.348 -2.330 1.00 1.15 N ATOM 0 H ASN A 25 17.571 -7.022 -0.646 1.00 0.33 H new ATOM 0 HA ASN A 25 16.781 -9.060 -2.483 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.572 -6.163 -2.592 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.664 -7.079 -4.083 1.00 0.83 H new ATOM 0 HD21 ASN A 25 13.900 -7.277 -2.408 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.333 -7.781 -1.507 1.00 1.15 H new ATOM 393 N GLN A 26 19.956 -8.379 -2.135 1.00 1.08 N ATOM 394 CA GLN A 26 21.315 -8.792 -2.485 1.00 1.58 C ATOM 395 C GLN A 26 21.644 -8.344 -3.901 1.00 1.10 C ATOM 396 O GLN A 26 22.359 -9.021 -4.640 1.00 1.64 O ATOM 397 CB GLN A 26 21.477 -10.307 -2.349 1.00 2.64 C ATOM 398 CG GLN A 26 21.245 -10.809 -0.941 1.00 3.42 C ATOM 399 CD GLN A 26 21.296 -12.317 -0.839 1.00 4.28 C ATOM 400 OE1 GLN A 26 20.879 -13.030 -1.755 1.00 4.88 O ATOM 401 NE2 GLN A 26 21.820 -12.814 0.270 1.00 4.73 N ATOM 0 H GLN A 26 19.908 -7.727 -1.352 1.00 1.08 H new ATOM 0 HA GLN A 26 22.011 -8.317 -1.793 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.779 -10.802 -3.024 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.481 -10.588 -2.667 1.00 2.64 H new ATOM 0 HG2 GLN A 26 21.997 -10.379 -0.279 1.00 3.42 H new ATOM 0 HG3 GLN A 26 20.274 -10.459 -0.591 1.00 3.42 H new ATOM 0 HE21 GLN A 26 22.153 -12.187 1.002 1.00 4.73 H new ATOM 0 HE22 GLN A 26 21.891 -13.824 0.392 1.00 4.73 H new ATOM 410 N ALA A 27 21.119 -7.186 -4.259 1.00 0.83 N ATOM 411 CA ALA A 27 21.309 -6.630 -5.584 1.00 1.50 C ATOM 412 C ALA A 27 22.477 -5.651 -5.606 1.00 1.34 C ATOM 413 O ALA A 27 23.533 -5.918 -5.028 1.00 2.01 O ATOM 414 CB ALA A 27 20.024 -5.953 -6.023 1.00 2.27 C ATOM 0 H ALA A 27 20.551 -6.607 -3.641 1.00 0.83 H new ATOM 0 HA ALA A 27 21.550 -7.434 -6.280 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.157 -5.531 -7.019 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.216 -6.684 -6.043 1.00 2.27 H new ATOM 0 HB3 ALA A 27 19.775 -5.156 -5.322 1.00 2.27 H new ATOM 420 N SER A 28 22.291 -4.525 -6.281 1.00 1.04 N ATOM 421 CA SER A 28 23.326 -3.514 -6.372 1.00 0.84 C ATOM 422 C SER A 28 23.177 -2.477 -5.259 1.00 0.71 C ATOM 423 O SER A 28 22.170 -2.463 -4.545 1.00 0.73 O ATOM 424 CB SER A 28 23.265 -2.845 -7.744 1.00 0.91 C ATOM 425 OG SER A 28 23.377 -3.807 -8.778 1.00 1.52 O ATOM 0 H SER A 28 21.429 -4.292 -6.774 1.00 1.04 H new ATOM 0 HA SER A 28 24.298 -3.992 -6.250 1.00 0.84 H new ATOM 0 HB2 SER A 28 22.326 -2.301 -7.847 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.068 -2.114 -7.833 1.00 0.91 H new ATOM 0 HG SER A 28 23.334 -3.358 -9.648 1.00 1.52 H new ATOM 431 N HIS A 29 24.184 -1.610 -5.131 1.00 0.61 N ATOM 432 CA HIS A 29 24.218 -0.552 -4.117 1.00 0.53 C ATOM 433 C HIS A 29 24.284 -1.120 -2.697 1.00 0.59 C ATOM 434 O HIS A 29 23.741 -0.522 -1.767 1.00 0.76 O ATOM 435 CB HIS A 29 23.020 0.399 -4.164 1.00 0.50 C ATOM 436 CG HIS A 29 22.546 0.897 -5.499 1.00 0.50 C ATOM 437 ND1 HIS A 29 21.859 2.083 -5.620 1.00 0.46 N ATOM 438 CD2 HIS A 29 22.621 0.386 -6.750 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.532 2.280 -6.873 1.00 0.53 C ATOM 440 NE2 HIS A 29 21.981 1.265 -7.589 1.00 0.63 N ATOM 0 H HIS A 29 25.007 -1.622 -5.734 1.00 0.61 H new ATOM 0 HA HIS A 29 25.122 0.006 -4.360 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.181 -0.102 -3.681 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.265 1.269 -3.555 1.00 0.50 H new ATOM 0 HD2 HIS A 29 23.096 -0.541 -7.036 1.00 0.64 H new ATOM 0 HE1 HIS A 29 20.987 3.130 -7.256 1.00 0.53 H new ATOM 0 HE2 HIS A 29 21.871 1.153 -8.597 1.00 0.63 H new ATOM 449 N VAL A 30 24.937 -2.257 -2.519 1.00 0.66 N ATOM 450 CA VAL A 30 25.030 -2.859 -1.196 1.00 0.76 C ATOM 451 C VAL A 30 26.471 -3.081 -0.777 1.00 0.72 C ATOM 452 O VAL A 30 27.203 -3.853 -1.396 1.00 0.78 O ATOM 453 CB VAL A 30 24.289 -4.211 -1.109 1.00 0.94 C ATOM 454 CG1 VAL A 30 23.752 -4.418 0.296 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.168 -4.295 -2.131 1.00 1.16 C ATOM 0 H VAL A 30 25.405 -2.777 -3.261 1.00 0.66 H new ATOM 0 HA VAL A 30 24.554 -2.147 -0.522 1.00 0.76 H new ATOM 0 HB VAL A 30 25.000 -5.005 -1.337 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.231 -5.374 0.349 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.579 -4.416 1.006 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.060 -3.613 0.543 1.00 1.01 H new ATOM 0 HG21 VAL A 30 22.667 -5.259 -2.043 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.450 -3.495 -1.950 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.582 -4.191 -3.134 1.00 1.16 H new ATOM 465 N SER A 31 26.871 -2.404 0.283 1.00 0.71 N ATOM 466 CA SER A 31 28.217 -2.554 0.807 1.00 0.76 C ATOM 467 C SER A 31 28.232 -3.668 1.850 1.00 0.83 C ATOM 468 O SER A 31 27.213 -3.935 2.485 1.00 1.30 O ATOM 469 CB SER A 31 28.711 -1.245 1.423 1.00 0.75 C ATOM 470 OG SER A 31 27.955 -0.897 2.573 1.00 0.74 O ATOM 0 H SER A 31 26.285 -1.746 0.798 1.00 0.71 H new ATOM 0 HA SER A 31 28.888 -2.813 -0.012 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.763 -1.342 1.693 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.643 -0.445 0.685 1.00 0.75 H new ATOM 0 HG SER A 31 27.110 -1.393 2.572 1.00 0.74 H new ATOM 476 N ALA A 32 29.377 -4.322 2.019 1.00 0.86 N ATOM 477 CA ALA A 32 29.508 -5.397 2.997 1.00 0.86 C ATOM 478 C ALA A 32 29.261 -4.871 4.407 1.00 0.75 C ATOM 479 O ALA A 32 28.696 -5.570 5.250 1.00 0.69 O ATOM 480 CB ALA A 32 30.885 -6.029 2.898 1.00 1.06 C ATOM 0 H ALA A 32 30.228 -4.126 1.491 1.00 0.86 H new ATOM 0 HA ALA A 32 28.758 -6.158 2.781 1.00 0.86 H new ATOM 0 HB1 ALA A 32 30.971 -6.830 3.632 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.027 -6.437 1.897 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.647 -5.274 3.093 1.00 1.06 H new ATOM 486 N LYS A 33 29.675 -3.627 4.642 1.00 0.80 N ATOM 487 CA LYS A 33 29.508 -2.978 5.935 1.00 0.78 C ATOM 488 C LYS A 33 28.061 -3.060 6.413 1.00 0.67 C ATOM 489 O LYS A 33 27.790 -3.518 7.524 1.00 0.69 O ATOM 490 CB LYS A 33 29.940 -1.519 5.837 1.00 0.94 C ATOM 491 CG LYS A 33 29.640 -0.691 7.076 1.00 1.53 C ATOM 492 CD LYS A 33 30.671 -0.925 8.164 1.00 1.99 C ATOM 493 CE LYS A 33 30.399 -0.054 9.381 1.00 2.99 C ATOM 494 NZ LYS A 33 30.314 1.390 9.025 1.00 3.39 N ATOM 0 H LYS A 33 30.134 -3.045 3.942 1.00 0.80 H new ATOM 0 HA LYS A 33 30.133 -3.498 6.661 1.00 0.78 H new ATOM 0 HB2 LYS A 33 31.012 -1.482 5.641 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.444 -1.062 4.981 1.00 0.94 H new ATOM 0 HG2 LYS A 33 29.621 0.366 6.812 1.00 1.53 H new ATOM 0 HG3 LYS A 33 28.649 -0.943 7.452 1.00 1.53 H new ATOM 0 HD2 LYS A 33 30.662 -1.975 8.456 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.667 -0.711 7.776 1.00 1.99 H new ATOM 0 HE2 LYS A 33 29.466 -0.367 9.850 1.00 2.99 H new ATOM 0 HE3 LYS A 33 31.190 -0.200 10.116 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 30.742 1.960 9.782 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 30.824 1.559 8.135 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 29.317 1.661 8.909 1.00 3.39 H new ATOM 508 N THR A 34 27.131 -2.632 5.565 1.00 0.61 N ATOM 509 CA THR A 34 25.719 -2.658 5.913 1.00 0.54 C ATOM 510 C THR A 34 25.107 -4.035 5.694 1.00 0.51 C ATOM 511 O THR A 34 24.192 -4.430 6.411 1.00 0.49 O ATOM 512 CB THR A 34 24.927 -1.622 5.103 1.00 0.53 C ATOM 513 OG1 THR A 34 25.444 -1.553 3.765 1.00 0.65 O ATOM 514 CG2 THR A 34 25.001 -0.252 5.763 1.00 0.56 C ATOM 0 H THR A 34 27.331 -2.264 4.635 1.00 0.61 H new ATOM 0 HA THR A 34 25.657 -2.412 6.973 1.00 0.54 H new ATOM 0 HB THR A 34 23.882 -1.931 5.070 1.00 0.53 H new ATOM 0 HG1 THR A 34 24.935 -0.892 3.251 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.433 0.467 5.173 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.582 -0.309 6.767 1.00 0.56 H new ATOM 0 HG23 THR A 34 26.041 0.068 5.822 1.00 0.56 H new ATOM 522 N ARG A 35 25.625 -4.766 4.716 1.00 0.51 N ATOM 523 CA ARG A 35 25.119 -6.097 4.406 1.00 0.51 C ATOM 524 C ARG A 35 25.199 -7.013 5.625 1.00 0.52 C ATOM 525 O ARG A 35 24.290 -7.796 5.887 1.00 0.52 O ATOM 526 CB ARG A 35 25.909 -6.703 3.249 1.00 0.53 C ATOM 527 CG ARG A 35 25.167 -7.804 2.508 1.00 0.70 C ATOM 528 CD ARG A 35 26.064 -8.492 1.486 1.00 0.79 C ATOM 529 NE ARG A 35 26.488 -7.590 0.409 1.00 1.64 N ATOM 530 CZ ARG A 35 27.760 -7.423 0.035 1.00 2.19 C ATOM 531 NH1 ARG A 35 28.737 -8.045 0.675 1.00 2.09 N ATOM 532 NH2 ARG A 35 28.061 -6.623 -0.981 1.00 3.31 N ATOM 0 H ARG A 35 26.396 -4.460 4.123 1.00 0.51 H new ATOM 0 HA ARG A 35 24.072 -6.002 4.117 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.166 -5.913 2.544 1.00 0.53 H new ATOM 0 HB3 ARG A 35 26.847 -7.105 3.633 1.00 0.53 H new ATOM 0 HG2 ARG A 35 24.797 -8.539 3.222 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.297 -7.383 2.005 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.945 -8.889 1.990 1.00 0.79 H new ATOM 0 HD3 ARG A 35 25.533 -9.341 1.056 1.00 0.79 H new ATOM 0 HE ARG A 35 25.769 -7.059 -0.083 1.00 1.64 H new ATOM 0 HH11 ARG A 35 28.522 -8.658 1.461 1.00 2.09 H new ATOM 0 HH12 ARG A 35 29.705 -7.911 0.382 1.00 2.09 H new ATOM 0 HH21 ARG A 35 27.320 -6.132 -1.481 1.00 3.31 H new ATOM 0 HH22 ARG A 35 29.034 -6.499 -1.262 1.00 3.31 H new ATOM 546 N GLU A 36 26.277 -6.882 6.385 1.00 0.56 N ATOM 547 CA GLU A 36 26.491 -7.714 7.564 1.00 0.58 C ATOM 548 C GLU A 36 25.684 -7.243 8.771 1.00 0.54 C ATOM 549 O GLU A 36 25.310 -8.051 9.624 1.00 0.61 O ATOM 550 CB GLU A 36 27.977 -7.748 7.914 1.00 0.67 C ATOM 551 CG GLU A 36 28.831 -8.247 6.765 1.00 0.70 C ATOM 552 CD GLU A 36 30.308 -8.293 7.094 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.005 -7.279 6.881 1.00 1.39 O ATOM 554 OE2 GLU A 36 30.783 -9.347 7.565 1.00 1.45 O ATOM 0 H GLU A 36 27.020 -6.206 6.207 1.00 0.56 H new ATOM 0 HA GLU A 36 26.143 -8.717 7.316 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.303 -6.747 8.198 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.128 -8.391 8.781 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.498 -9.245 6.480 1.00 0.70 H new ATOM 0 HG3 GLU A 36 28.678 -7.601 5.900 1.00 0.70 H new ATOM 561 N LYS A 37 25.398 -5.950 8.850 1.00 0.49 N ATOM 562 CA LYS A 37 24.651 -5.432 9.992 1.00 0.47 C ATOM 563 C LYS A 37 23.157 -5.638 9.799 1.00 0.39 C ATOM 564 O LYS A 37 22.418 -5.844 10.759 1.00 0.38 O ATOM 565 CB LYS A 37 24.967 -3.958 10.256 1.00 0.52 C ATOM 566 CG LYS A 37 24.540 -3.006 9.151 1.00 0.86 C ATOM 567 CD LYS A 37 24.290 -1.606 9.690 1.00 0.84 C ATOM 568 CE LYS A 37 25.484 -1.080 10.477 1.00 0.73 C ATOM 569 NZ LYS A 37 25.161 0.174 11.209 1.00 0.98 N ATOM 0 H LYS A 37 25.664 -5.253 8.155 1.00 0.49 H new ATOM 0 HA LYS A 37 24.966 -5.995 10.870 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.480 -3.657 11.184 1.00 0.52 H new ATOM 0 HB3 LYS A 37 26.041 -3.853 10.411 1.00 0.52 H new ATOM 0 HG2 LYS A 37 25.312 -2.969 8.382 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.634 -3.381 8.675 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.075 -0.931 8.862 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.408 -1.615 10.331 1.00 0.84 H new ATOM 0 HE2 LYS A 37 25.813 -1.839 11.186 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.315 -0.898 9.796 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 25.773 0.255 12.046 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.318 0.991 10.585 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 24.165 0.154 11.509 1.00 0.98 H new ATOM 583 N VAL A 38 22.719 -5.605 8.551 1.00 0.36 N ATOM 584 CA VAL A 38 21.314 -5.797 8.243 1.00 0.31 C ATOM 585 C VAL A 38 20.943 -7.270 8.360 1.00 0.32 C ATOM 586 O VAL A 38 19.878 -7.613 8.872 1.00 0.31 O ATOM 587 CB VAL A 38 20.966 -5.275 6.839 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.512 -5.558 6.499 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.260 -3.785 6.750 1.00 0.30 C ATOM 0 H VAL A 38 23.315 -5.448 7.738 1.00 0.36 H new ATOM 0 HA VAL A 38 20.736 -5.223 8.967 1.00 0.31 H new ATOM 0 HB VAL A 38 21.586 -5.799 6.111 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.291 -5.179 5.501 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.335 -6.633 6.526 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.866 -5.065 7.225 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.011 -3.424 5.752 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.662 -3.251 7.489 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.318 -3.611 6.945 1.00 0.30 H new ATOM 599 N GLU A 39 21.844 -8.138 7.907 1.00 0.36 N ATOM 600 CA GLU A 39 21.622 -9.575 7.981 1.00 0.39 C ATOM 601 C GLU A 39 21.530 -10.013 9.438 1.00 0.41 C ATOM 602 O GLU A 39 20.835 -10.972 9.774 1.00 0.43 O ATOM 603 CB GLU A 39 22.747 -10.339 7.282 1.00 0.44 C ATOM 604 CG GLU A 39 22.539 -10.503 5.788 1.00 0.55 C ATOM 605 CD GLU A 39 23.576 -11.409 5.157 1.00 0.82 C ATOM 606 OE1 GLU A 39 23.812 -12.511 5.699 1.00 1.44 O ATOM 607 OE2 GLU A 39 24.150 -11.030 4.113 1.00 1.59 O ATOM 0 H GLU A 39 22.733 -7.869 7.486 1.00 0.36 H new ATOM 0 HA GLU A 39 20.684 -9.802 7.474 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.689 -9.818 7.453 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.841 -11.325 7.737 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.545 -10.910 5.605 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.576 -9.524 5.309 1.00 0.55 H new ATOM 614 N ALA A 40 22.244 -9.298 10.296 1.00 0.43 N ATOM 615 CA ALA A 40 22.249 -9.587 11.716 1.00 0.46 C ATOM 616 C ALA A 40 20.995 -9.032 12.383 1.00 0.41 C ATOM 617 O ALA A 40 20.379 -9.700 13.216 1.00 0.43 O ATOM 618 CB ALA A 40 23.500 -9.007 12.358 1.00 0.52 C ATOM 0 H ALA A 40 22.830 -8.508 10.027 1.00 0.43 H new ATOM 0 HA ALA A 40 22.253 -10.668 11.854 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.497 -9.228 13.425 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.384 -9.450 11.898 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.517 -7.927 12.211 1.00 0.52 H new ATOM 624 N ALA A 41 20.606 -7.819 11.994 1.00 0.37 N ATOM 625 CA ALA A 41 19.431 -7.169 12.562 1.00 0.34 C ATOM 626 C ALA A 41 18.152 -7.915 12.206 1.00 0.31 C ATOM 627 O ALA A 41 17.255 -8.070 13.038 1.00 0.34 O ATOM 628 CB ALA A 41 19.352 -5.719 12.100 1.00 0.31 C ATOM 0 H ALA A 41 21.090 -7.267 11.286 1.00 0.37 H new ATOM 0 HA ALA A 41 19.532 -7.188 13.647 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.470 -5.247 12.532 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.245 -5.185 12.424 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.285 -5.687 11.013 1.00 0.31 H new ATOM 634 N MET A 42 18.078 -8.394 10.969 1.00 0.28 N ATOM 635 CA MET A 42 16.908 -9.133 10.504 1.00 0.29 C ATOM 636 C MET A 42 16.838 -10.518 11.143 1.00 0.35 C ATOM 637 O MET A 42 15.841 -11.222 11.008 1.00 0.39 O ATOM 638 CB MET A 42 16.914 -9.250 8.973 1.00 0.27 C ATOM 639 CG MET A 42 17.961 -10.210 8.425 1.00 0.33 C ATOM 640 SD MET A 42 17.783 -10.517 6.658 1.00 0.35 S ATOM 641 CE MET A 42 18.343 -8.953 5.987 1.00 0.33 C ATOM 0 H MET A 42 18.813 -8.284 10.270 1.00 0.28 H new ATOM 0 HA MET A 42 16.021 -8.576 10.808 1.00 0.29 H new ATOM 0 HB2 MET A 42 15.929 -9.577 8.641 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.084 -8.262 8.545 1.00 0.27 H new ATOM 0 HG2 MET A 42 18.954 -9.804 8.619 1.00 0.33 H new ATOM 0 HG3 MET A 42 17.893 -11.157 8.961 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.445 -9.037 4.905 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.618 -8.175 6.224 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.308 -8.695 6.423 1.00 0.33 H new ATOM 651 N ALA A 43 17.895 -10.896 11.847 1.00 0.40 N ATOM 652 CA ALA A 43 17.938 -12.190 12.512 1.00 0.47 C ATOM 653 C ALA A 43 17.556 -12.035 13.976 1.00 0.48 C ATOM 654 O ALA A 43 17.093 -12.978 14.616 1.00 0.53 O ATOM 655 CB ALA A 43 19.321 -12.810 12.378 1.00 0.52 C ATOM 0 H ALA A 43 18.732 -10.327 11.972 1.00 0.40 H new ATOM 0 HA ALA A 43 17.220 -12.857 12.035 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.336 -13.777 12.881 1.00 0.52 H new ATOM 0 HB2 ALA A 43 19.558 -12.946 11.323 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.060 -12.152 12.835 1.00 0.52 H new ATOM 661 N GLU A 44 17.746 -10.829 14.491 1.00 0.46 N ATOM 662 CA GLU A 44 17.425 -10.522 15.879 1.00 0.46 C ATOM 663 C GLU A 44 15.923 -10.452 16.082 1.00 0.45 C ATOM 664 O GLU A 44 15.350 -11.167 16.901 1.00 0.48 O ATOM 665 CB GLU A 44 18.026 -9.174 16.269 1.00 0.45 C ATOM 666 CG GLU A 44 19.535 -9.127 16.175 1.00 0.51 C ATOM 667 CD GLU A 44 20.204 -10.047 17.172 1.00 0.63 C ATOM 668 OE1 GLU A 44 19.929 -9.920 18.384 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.005 -10.905 16.748 1.00 1.36 O ATOM 0 H GLU A 44 18.124 -10.041 13.965 1.00 0.46 H new ATOM 0 HA GLU A 44 17.840 -11.315 16.501 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.607 -8.400 15.625 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.727 -8.936 17.290 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.842 -9.404 15.166 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.875 -8.105 16.343 1.00 0.51 H new ATOM 676 N LEU A 45 15.298 -9.585 15.305 1.00 0.42 N ATOM 677 CA LEU A 45 13.864 -9.353 15.388 1.00 0.44 C ATOM 678 C LEU A 45 13.063 -10.424 14.660 1.00 0.48 C ATOM 679 O LEU A 45 11.840 -10.478 14.795 1.00 0.52 O ATOM 680 CB LEU A 45 13.547 -7.986 14.787 1.00 0.49 C ATOM 681 CG LEU A 45 14.565 -6.898 15.123 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.689 -5.905 13.977 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.174 -6.188 16.407 1.00 1.88 C ATOM 0 H LEU A 45 15.769 -9.021 14.598 1.00 0.42 H new ATOM 0 HA LEU A 45 13.579 -9.390 16.439 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.483 -8.085 13.703 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.565 -7.668 15.136 1.00 0.49 H new ATOM 0 HG LEU A 45 15.537 -7.369 15.270 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.419 -5.139 14.237 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.015 -6.427 13.077 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.721 -5.437 13.794 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.909 -5.415 16.634 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.192 -5.731 16.285 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.140 -6.908 17.225 1.00 1.88 H new ATOM 695 N ASN A 46 13.766 -11.274 13.904 1.00 0.49 N ATOM 696 CA ASN A 46 13.133 -12.339 13.120 1.00 0.54 C ATOM 697 C ASN A 46 12.325 -11.713 11.983 1.00 0.51 C ATOM 698 O ASN A 46 11.100 -11.827 11.920 1.00 0.60 O ATOM 699 CB ASN A 46 12.241 -13.233 14.005 1.00 0.62 C ATOM 700 CG ASN A 46 11.702 -14.453 13.279 1.00 1.22 C ATOM 701 OD1 ASN A 46 10.520 -14.790 13.401 1.00 2.01 O ATOM 702 ND2 ASN A 46 12.559 -15.138 12.543 1.00 1.90 N ATOM 0 H ASN A 46 14.782 -11.244 13.819 1.00 0.49 H new ATOM 0 HA ASN A 46 13.909 -12.979 12.700 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.814 -13.559 14.873 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.404 -12.643 14.379 1.00 0.62 H new ATOM 0 HD21 ASN A 46 12.252 -15.977 12.051 1.00 1.90 H new ATOM 0 HD22 ASN A 46 13.528 -14.828 12.467 1.00 1.90 H new ATOM 709 N TYR A 47 13.043 -11.032 11.102 1.00 0.42 N ATOM 710 CA TYR A 47 12.462 -10.342 9.959 1.00 0.39 C ATOM 711 C TYR A 47 11.867 -11.319 8.954 1.00 0.49 C ATOM 712 O TYR A 47 12.448 -12.362 8.661 1.00 0.58 O ATOM 713 CB TYR A 47 13.547 -9.486 9.307 1.00 0.27 C ATOM 714 CG TYR A 47 13.201 -8.935 7.945 1.00 0.25 C ATOM 715 CD1 TYR A 47 11.996 -8.290 7.716 1.00 1.07 C ATOM 716 CD2 TYR A 47 14.092 -9.054 6.891 1.00 1.16 C ATOM 717 CE1 TYR A 47 11.687 -7.781 6.474 1.00 1.08 C ATOM 718 CE2 TYR A 47 13.793 -8.546 5.646 1.00 1.16 C ATOM 719 CZ TYR A 47 12.588 -7.910 5.442 1.00 0.23 C ATOM 720 OH TYR A 47 12.287 -7.399 4.207 1.00 0.24 O ATOM 0 H TYR A 47 14.057 -10.942 11.161 1.00 0.42 H new ATOM 0 HA TYR A 47 11.644 -9.709 10.303 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.777 -8.652 9.971 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.455 -10.083 9.219 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.288 -8.185 8.524 1.00 1.07 H new ATOM 0 HD2 TYR A 47 15.037 -9.553 7.048 1.00 1.16 H new ATOM 0 HE1 TYR A 47 10.743 -7.283 6.311 1.00 1.08 H new ATOM 0 HE2 TYR A 47 14.499 -8.646 4.835 1.00 1.16 H new ATOM 0 HH TYR A 47 11.704 -6.618 4.309 1.00 0.24 H new ATOM 730 N ILE A 48 10.701 -10.962 8.431 1.00 0.56 N ATOM 731 CA ILE A 48 10.008 -11.793 7.461 1.00 0.66 C ATOM 732 C ILE A 48 9.978 -11.121 6.090 1.00 0.52 C ATOM 733 O ILE A 48 9.241 -10.156 5.882 1.00 0.55 O ATOM 734 CB ILE A 48 8.557 -12.095 7.903 1.00 0.91 C ATOM 735 CG1 ILE A 48 8.515 -12.518 9.376 1.00 1.16 C ATOM 736 CG2 ILE A 48 7.941 -13.176 7.022 1.00 0.98 C ATOM 737 CD1 ILE A 48 9.432 -13.675 9.711 1.00 1.01 C ATOM 0 H ILE A 48 10.215 -10.097 8.666 1.00 0.56 H new ATOM 0 HA ILE A 48 10.560 -12.731 7.397 1.00 0.66 H new ATOM 0 HB ILE A 48 7.971 -11.182 7.791 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.784 -11.663 9.997 1.00 1.16 H new ATOM 0 HG13 ILE A 48 7.492 -12.791 9.636 1.00 1.16 H new ATOM 0 HG21 ILE A 48 6.920 -13.374 7.349 1.00 0.98 H new ATOM 0 HG22 ILE A 48 7.931 -12.839 5.986 1.00 0.98 H new ATOM 0 HG23 ILE A 48 8.531 -14.089 7.101 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.344 -13.914 10.771 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.151 -14.546 9.119 1.00 1.01 H new ATOM 0 HD13 ILE A 48 10.462 -13.400 9.485 1.00 1.01 H new ATOM 749 N PRO A 49 10.793 -11.614 5.144 1.00 0.44 N ATOM 750 CA PRO A 49 10.846 -11.072 3.785 1.00 0.35 C ATOM 751 C PRO A 49 9.572 -11.390 3.011 1.00 0.39 C ATOM 752 O PRO A 49 9.323 -12.539 2.640 1.00 0.49 O ATOM 753 CB PRO A 49 12.059 -11.776 3.149 1.00 0.40 C ATOM 754 CG PRO A 49 12.772 -12.449 4.274 1.00 0.51 C ATOM 755 CD PRO A 49 11.730 -12.729 5.319 1.00 0.55 C ATOM 0 HA PRO A 49 10.934 -9.986 3.777 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.742 -12.500 2.398 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.709 -11.059 2.647 1.00 0.40 H new ATOM 0 HG2 PRO A 49 13.246 -13.372 3.939 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.562 -11.812 4.672 1.00 0.51 H new ATOM 0 HD2 PRO A 49 11.247 -13.693 5.161 1.00 0.55 H new ATOM 0 HD3 PRO A 49 12.156 -12.747 6.322 1.00 0.55 H new ATOM 763 N ASN A 50 8.758 -10.372 2.788 1.00 0.40 N ATOM 764 CA ASN A 50 7.502 -10.540 2.073 1.00 0.45 C ATOM 765 C ASN A 50 7.726 -10.641 0.573 1.00 0.49 C ATOM 766 O ASN A 50 7.936 -9.635 -0.106 1.00 0.54 O ATOM 767 CB ASN A 50 6.559 -9.383 2.379 1.00 0.45 C ATOM 768 CG ASN A 50 5.980 -9.458 3.776 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.017 -10.180 4.025 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.558 -8.697 4.692 1.00 0.46 N ATOM 0 H ASN A 50 8.945 -9.417 3.093 1.00 0.40 H new ATOM 0 HA ASN A 50 7.050 -11.472 2.413 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.095 -8.441 2.262 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.746 -9.379 1.653 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.206 -8.695 5.649 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.356 -8.113 4.441 1.00 0.46 H new ATOM 777 N ARG A 51 7.671 -11.864 0.058 1.00 0.51 N ATOM 778 CA ARG A 51 7.860 -12.106 -1.365 1.00 0.57 C ATOM 779 C ARG A 51 6.662 -11.597 -2.154 1.00 0.56 C ATOM 780 O ARG A 51 6.779 -11.270 -3.333 1.00 0.59 O ATOM 781 CB ARG A 51 8.072 -13.595 -1.634 1.00 0.63 C ATOM 782 CG ARG A 51 9.291 -14.161 -0.929 1.00 1.42 C ATOM 783 CD ARG A 51 10.556 -13.433 -1.347 1.00 2.25 C ATOM 784 NE ARG A 51 11.650 -13.642 -0.403 1.00 3.08 N ATOM 785 CZ ARG A 51 12.834 -13.046 -0.499 1.00 4.17 C ATOM 786 NH1 ARG A 51 13.064 -12.174 -1.471 1.00 4.66 N ATOM 787 NH2 ARG A 51 13.783 -13.314 0.386 1.00 5.04 N ATOM 0 H ARG A 51 7.496 -12.705 0.608 1.00 0.51 H new ATOM 0 HA ARG A 51 8.749 -11.565 -1.688 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.187 -14.145 -1.314 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.175 -13.753 -2.708 1.00 0.63 H new ATOM 0 HG2 ARG A 51 9.161 -14.079 0.150 1.00 1.42 H new ATOM 0 HG3 ARG A 51 9.387 -15.222 -1.158 1.00 1.42 H new ATOM 0 HD2 ARG A 51 10.861 -13.776 -2.336 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.349 -12.366 -1.430 1.00 2.25 H new ATOM 0 HE ARG A 51 11.497 -14.283 0.376 1.00 3.08 H new ATOM 0 HH11 ARG A 51 12.331 -11.959 -2.147 1.00 4.66 H new ATOM 0 HH12 ARG A 51 13.974 -11.718 -1.542 1.00 4.66 H new ATOM 0 HH21 ARG A 51 13.605 -13.977 1.140 1.00 5.04 H new ATOM 0 HH22 ARG A 51 14.692 -12.857 0.313 1.00 5.04 H new ATOM 801 N CYS A 52 5.514 -11.501 -1.488 1.00 0.55 N ATOM 802 CA CYS A 52 4.304 -11.026 -2.131 1.00 0.55 C ATOM 803 C CYS A 52 4.397 -9.523 -2.341 1.00 0.52 C ATOM 804 O CYS A 52 3.991 -8.998 -3.381 1.00 0.57 O ATOM 805 CB CYS A 52 3.078 -11.383 -1.295 1.00 0.56 C ATOM 806 SG CYS A 52 1.930 -12.522 -2.135 1.00 0.83 S ATOM 0 H CYS A 52 5.402 -11.747 -0.504 1.00 0.55 H new ATOM 0 HA CYS A 52 4.199 -11.512 -3.101 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.406 -11.835 -0.359 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.545 -10.468 -1.037 1.00 0.56 H new ATOM 811 N ALA A 53 4.954 -8.837 -1.349 1.00 0.45 N ATOM 812 CA ALA A 53 5.149 -7.400 -1.431 1.00 0.43 C ATOM 813 C ALA A 53 6.200 -7.090 -2.485 1.00 0.43 C ATOM 814 O ALA A 53 6.136 -6.069 -3.165 1.00 0.44 O ATOM 815 CB ALA A 53 5.552 -6.847 -0.090 1.00 0.41 C ATOM 0 H ALA A 53 5.278 -9.257 -0.478 1.00 0.45 H new ATOM 0 HA ALA A 53 4.212 -6.925 -1.720 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.694 -5.769 -0.169 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.771 -7.058 0.640 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.484 -7.313 0.231 1.00 0.41 H new ATOM 821 N GLN A 54 7.154 -8.011 -2.622 1.00 0.45 N ATOM 822 CA GLN A 54 8.226 -7.886 -3.600 1.00 0.48 C ATOM 823 C GLN A 54 7.653 -7.942 -5.012 1.00 0.51 C ATOM 824 O GLN A 54 8.112 -7.239 -5.913 1.00 0.55 O ATOM 825 CB GLN A 54 9.246 -9.009 -3.394 1.00 0.50 C ATOM 826 CG GLN A 54 10.413 -8.973 -4.366 1.00 0.74 C ATOM 827 CD GLN A 54 11.447 -10.042 -4.074 1.00 0.82 C ATOM 828 OE1 GLN A 54 11.126 -11.111 -3.553 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.698 -9.764 -4.409 1.00 1.07 N ATOM 0 H GLN A 54 7.202 -8.860 -2.059 1.00 0.45 H new ATOM 0 HA GLN A 54 8.725 -6.927 -3.466 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.633 -8.952 -2.376 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.738 -9.969 -3.488 1.00 0.50 H new ATOM 0 HG2 GLN A 54 10.039 -9.102 -5.382 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.887 -7.992 -4.323 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.924 -8.867 -4.839 1.00 1.07 H new ATOM 0 HE22 GLN A 54 13.436 -10.447 -4.237 1.00 1.07 H new ATOM 838 N GLN A 55 6.640 -8.787 -5.192 1.00 0.52 N ATOM 839 CA GLN A 55 5.980 -8.930 -6.484 1.00 0.57 C ATOM 840 C GLN A 55 5.218 -7.656 -6.840 1.00 0.58 C ATOM 841 O GLN A 55 5.174 -7.239 -7.999 1.00 0.74 O ATOM 842 CB GLN A 55 5.010 -10.116 -6.459 1.00 0.62 C ATOM 843 CG GLN A 55 5.689 -11.467 -6.297 1.00 0.65 C ATOM 844 CD GLN A 55 6.666 -11.766 -7.415 1.00 1.22 C ATOM 845 OE1 GLN A 55 6.486 -11.320 -8.548 1.00 1.83 O ATOM 846 NE2 GLN A 55 7.699 -12.533 -7.111 1.00 2.01 N ATOM 0 H GLN A 55 6.259 -9.383 -4.457 1.00 0.52 H new ATOM 0 HA GLN A 55 6.746 -9.109 -7.239 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.302 -9.976 -5.642 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.433 -10.120 -7.384 1.00 0.62 H new ATOM 0 HG2 GLN A 55 6.215 -11.493 -5.343 1.00 0.65 H new ATOM 0 HG3 GLN A 55 4.930 -12.249 -6.264 1.00 0.65 H new ATOM 0 HE21 GLN A 55 7.812 -12.883 -6.159 1.00 2.01 H new ATOM 0 HE22 GLN A 55 8.383 -12.775 -7.828 1.00 2.01 H new ATOM 855 N LEU A 56 4.617 -7.047 -5.828 1.00 0.51 N ATOM 856 CA LEU A 56 3.850 -5.825 -6.005 1.00 0.50 C ATOM 857 C LEU A 56 4.767 -4.624 -6.223 1.00 0.47 C ATOM 858 O LEU A 56 4.633 -3.892 -7.205 1.00 0.48 O ATOM 859 CB LEU A 56 2.984 -5.581 -4.770 1.00 0.49 C ATOM 860 CG LEU A 56 1.797 -4.655 -4.991 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.728 -5.378 -5.787 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.242 -4.173 -3.668 1.00 0.48 C ATOM 0 H LEU A 56 4.648 -7.385 -4.866 1.00 0.51 H new ATOM 0 HA LEU A 56 3.221 -5.943 -6.887 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.615 -6.541 -4.408 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.610 -5.163 -3.982 1.00 0.49 H new ATOM 0 HG LEU A 56 2.129 -3.782 -5.554 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.121 -4.713 -5.944 1.00 0.51 H new ATOM 0 HD12 LEU A 56 1.135 -5.681 -6.752 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.400 -6.261 -5.238 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.394 -3.512 -3.848 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.916 -5.029 -3.077 1.00 0.48 H new ATOM 0 HD23 LEU A 56 2.016 -3.630 -3.125 1.00 0.48 H new ATOM 874 N ALA A 57 5.706 -4.445 -5.305 1.00 0.45 N ATOM 875 CA ALA A 57 6.640 -3.325 -5.350 1.00 0.44 C ATOM 876 C ALA A 57 7.502 -3.340 -6.605 1.00 0.46 C ATOM 877 O ALA A 57 7.831 -2.286 -7.154 1.00 0.49 O ATOM 878 CB ALA A 57 7.521 -3.342 -4.111 1.00 0.44 C ATOM 0 H ALA A 57 5.843 -5.069 -4.510 1.00 0.45 H new ATOM 0 HA ALA A 57 6.052 -2.408 -5.375 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.217 -2.504 -4.148 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.898 -3.257 -3.221 1.00 0.44 H new ATOM 0 HB3 ALA A 57 8.080 -4.277 -4.075 1.00 0.44 H new ATOM 884 N GLY A 58 7.856 -4.533 -7.058 1.00 0.53 N ATOM 885 CA GLY A 58 8.683 -4.661 -8.242 1.00 0.61 C ATOM 886 C GLY A 58 7.943 -4.335 -9.519 1.00 0.94 C ATOM 887 O GLY A 58 8.536 -4.347 -10.600 1.00 1.14 O ATOM 0 H GLY A 58 7.585 -5.417 -6.627 1.00 0.53 H new ATOM 0 HA2 GLY A 58 9.545 -4.000 -8.149 1.00 0.61 H new ATOM 0 HA3 GLY A 58 9.067 -5.679 -8.301 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.380 -13.348 -7.984 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.268 -12.211 -8.170 1.00 0.66 C ATOM 1019 C VAL B 4 -10.013 -11.173 -7.094 1.00 0.59 C ATOM 1020 O VAL B 4 -9.940 -11.497 -5.916 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.744 -12.649 -8.118 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.678 -11.466 -8.332 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -12.006 -13.729 -9.151 1.00 0.73 C ATOM 0 HA VAL B 4 -10.066 -11.781 -9.151 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.943 -13.055 -7.126 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.712 -11.807 -8.290 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.509 -10.723 -7.553 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.482 -11.020 -9.307 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -13.052 -14.031 -9.105 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.783 -13.343 -10.146 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.371 -14.591 -8.946 1.00 0.73 H new ATOM 1033 N THR B 5 -9.878 -9.933 -7.501 1.00 0.50 N ATOM 1034 CA THR B 5 -9.614 -8.861 -6.573 1.00 0.45 C ATOM 1035 C THR B 5 -10.920 -8.304 -6.031 1.00 0.40 C ATOM 1036 O THR B 5 -11.998 -8.658 -6.511 1.00 0.39 O ATOM 1037 CB THR B 5 -8.823 -7.742 -7.272 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.684 -7.024 -8.164 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.654 -8.321 -8.063 1.00 0.48 C ATOM 0 H THR B 5 -9.947 -9.641 -8.476 1.00 0.50 H new ATOM 0 HA THR B 5 -9.024 -9.253 -5.745 1.00 0.45 H new ATOM 0 HB THR B 5 -8.435 -7.068 -6.508 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.660 -7.443 -9.050 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.108 -7.513 -8.549 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.986 -8.855 -7.387 1.00 0.48 H new ATOM 0 HG23 THR B 5 -8.032 -9.010 -8.819 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.836 -7.418 -5.048 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.037 -6.824 -4.488 1.00 0.36 C ATOM 1049 C LEU B 6 -12.541 -5.778 -5.471 1.00 0.32 C ATOM 1050 O LEU B 6 -13.673 -5.303 -5.395 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.719 -6.251 -3.103 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.569 -5.097 -2.596 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.781 -5.230 -1.097 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.880 -3.789 -2.911 1.00 0.50 C ATOM 0 H LEU B 6 -9.962 -7.100 -4.629 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.829 -7.559 -4.344 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.794 -7.063 -2.380 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.679 -5.923 -3.108 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.541 -5.118 -3.089 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.391 -4.400 -0.741 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.288 -6.171 -0.883 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.816 -5.215 -0.590 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.488 -2.961 -2.548 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.905 -3.764 -2.423 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.749 -3.697 -3.989 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.678 -5.470 -6.433 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.981 -4.520 -7.479 1.00 0.32 C ATOM 1068 C TYR B 7 -12.910 -5.178 -8.496 1.00 0.32 C ATOM 1069 O TYR B 7 -13.906 -4.593 -8.918 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.682 -4.073 -8.146 1.00 0.36 C ATOM 1071 CG TYR B 7 -10.007 -2.909 -7.456 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.213 -3.082 -6.315 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -10.167 -1.622 -7.953 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.614 -1.999 -5.710 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.563 -0.541 -7.349 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.786 -0.734 -6.229 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.177 0.341 -5.625 1.00 0.49 O ATOM 0 H TYR B 7 -10.746 -5.878 -6.503 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.478 -3.644 -7.062 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.991 -4.916 -8.175 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.892 -3.798 -9.180 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.069 -4.071 -5.907 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.777 -1.465 -8.830 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.008 -2.142 -4.827 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.698 0.452 -7.752 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.730 0.653 -4.879 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.583 -6.419 -8.857 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.386 -7.188 -9.810 1.00 0.35 C ATOM 1089 C ASP B 8 -14.774 -7.454 -9.240 1.00 0.31 C ATOM 1090 O ASP B 8 -15.773 -7.362 -9.950 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.718 -8.529 -10.143 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.324 -8.379 -10.727 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.200 -7.945 -11.891 1.00 1.31 O ATOM 1094 OD2 ASP B 8 -10.345 -8.700 -10.019 1.00 1.07 O ATOM 0 H ASP B 8 -11.765 -6.915 -8.503 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.468 -6.597 -10.722 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.662 -9.133 -9.238 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.344 -9.073 -10.851 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.822 -7.783 -7.948 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.084 -8.057 -7.262 1.00 0.25 C ATOM 1101 C VAL B 9 -17.014 -6.851 -7.341 1.00 0.25 C ATOM 1102 O VAL B 9 -18.214 -6.986 -7.591 1.00 0.28 O ATOM 1103 CB VAL B 9 -15.833 -8.422 -5.780 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.134 -8.707 -5.042 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -14.903 -9.619 -5.697 1.00 0.28 C ATOM 0 H VAL B 9 -13.997 -7.866 -7.354 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.558 -8.903 -7.760 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.365 -7.565 -5.295 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -16.916 -8.960 -4.004 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.772 -7.824 -5.074 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.647 -9.542 -5.519 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.729 -9.873 -4.651 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.358 -10.469 -6.206 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -13.954 -9.376 -6.174 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.436 -5.671 -7.168 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.190 -4.428 -7.201 1.00 0.28 C ATOM 1117 C ALA B 10 -17.712 -4.122 -8.599 1.00 0.33 C ATOM 1118 O ALA B 10 -18.909 -3.895 -8.790 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.321 -3.292 -6.712 1.00 0.31 C ATOM 0 H ALA B 10 -15.437 -5.549 -7.002 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.053 -4.540 -6.544 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.889 -2.362 -6.738 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -16.001 -3.493 -5.690 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.446 -3.201 -7.355 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.804 -4.131 -9.569 1.00 0.36 N ATOM 1126 CA GLU B 11 -17.146 -3.840 -10.962 1.00 0.44 C ATOM 1127 C GLU B 11 -18.169 -4.839 -11.501 1.00 0.47 C ATOM 1128 O GLU B 11 -19.063 -4.473 -12.268 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.884 -3.845 -11.829 1.00 0.51 C ATOM 1130 CG GLU B 11 -14.836 -2.838 -11.377 1.00 1.27 C ATOM 1131 CD GLU B 11 -13.799 -2.545 -12.441 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.140 -3.498 -12.919 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.633 -1.359 -12.794 1.00 2.34 O ATOM 0 H GLU B 11 -15.817 -4.338 -9.417 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.596 -2.848 -11.000 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -15.447 -4.844 -11.816 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -16.161 -3.632 -12.861 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -15.331 -1.909 -11.094 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -14.337 -3.217 -10.485 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.039 -6.098 -11.100 1.00 0.43 N ATOM 1141 CA TYR B 12 -18.970 -7.132 -11.527 1.00 0.49 C ATOM 1142 C TYR B 12 -20.372 -6.846 -11.001 1.00 0.49 C ATOM 1143 O TYR B 12 -21.366 -7.057 -11.697 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.514 -8.495 -11.022 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.463 -9.601 -11.389 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.541 -10.050 -12.694 1.00 1.15 C ATOM 1147 CD2 TYR B 12 -20.286 -10.189 -10.437 1.00 1.48 C ATOM 1148 CE1 TYR B 12 -20.408 -11.056 -13.047 1.00 1.18 C ATOM 1149 CE2 TYR B 12 -21.160 -11.198 -10.781 1.00 1.58 C ATOM 1150 CZ TYR B 12 -21.216 -11.628 -12.091 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.087 -12.633 -12.440 1.00 0.94 O ATOM 0 H TYR B 12 -17.298 -6.426 -10.480 1.00 0.43 H new ATOM 0 HA TYR B 12 -18.992 -7.136 -12.617 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.529 -8.718 -11.431 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.408 -8.459 -9.938 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.910 -9.603 -13.448 1.00 1.15 H new ATOM 0 HD2 TYR B 12 -20.241 -9.851 -9.412 1.00 1.48 H new ATOM 0 HE1 TYR B 12 -20.455 -11.396 -14.071 1.00 1.18 H new ATOM 0 HE2 TYR B 12 -21.795 -11.648 -10.032 1.00 1.58 H new ATOM 0 HH TYR B 12 -22.582 -12.927 -11.647 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.443 -6.359 -9.772 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.719 -6.056 -9.144 1.00 0.48 C ATOM 1163 C ALA B 13 -22.301 -4.750 -9.677 1.00 0.52 C ATOM 1164 O ALA B 13 -23.515 -4.553 -9.677 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.551 -5.995 -7.637 1.00 0.43 C ATOM 0 H ALA B 13 -19.629 -6.165 -9.188 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.422 -6.852 -9.389 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.511 -5.768 -7.173 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.190 -6.957 -7.272 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.831 -5.217 -7.382 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.428 -3.865 -10.136 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.866 -2.589 -10.673 1.00 0.55 C ATOM 1173 C GLY B 14 -21.678 -1.456 -9.684 1.00 0.52 C ATOM 1174 O GLY B 14 -21.967 -0.297 -9.986 1.00 0.59 O ATOM 0 H GLY B 14 -20.418 -4.007 -10.147 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -21.309 -2.370 -11.584 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.918 -2.656 -10.951 1.00 0.55 H new ATOM 1178 N VAL B 15 -21.188 -1.799 -8.498 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.959 -0.825 -7.440 1.00 0.46 C ATOM 1180 C VAL B 15 -19.517 -0.348 -7.451 1.00 0.43 C ATOM 1181 O VAL B 15 -18.712 -0.803 -8.268 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.273 -1.435 -6.057 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.743 -1.812 -5.961 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.398 -2.652 -5.788 1.00 0.36 C ATOM 0 H VAL B 15 -20.940 -2.755 -8.245 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.623 0.020 -7.623 1.00 0.46 H new ATOM 0 HB VAL B 15 -21.055 -0.682 -5.299 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.945 -2.240 -4.979 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.357 -0.922 -6.102 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.982 -2.544 -6.732 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.638 -3.063 -4.808 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.580 -3.407 -6.553 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.349 -2.358 -5.811 1.00 0.36 H new ATOM 1194 N SER B 16 -19.189 0.572 -6.561 1.00 0.45 N ATOM 1195 CA SER B 16 -17.831 1.061 -6.473 1.00 0.46 C ATOM 1196 C SER B 16 -17.013 0.065 -5.668 1.00 0.41 C ATOM 1197 O SER B 16 -17.564 -0.670 -4.850 1.00 0.39 O ATOM 1198 CB SER B 16 -17.789 2.451 -5.830 1.00 0.50 C ATOM 1199 OG SER B 16 -18.312 2.436 -4.510 1.00 0.64 O ATOM 0 H SER B 16 -19.840 0.990 -5.896 1.00 0.45 H new ATOM 0 HA SER B 16 -17.410 1.158 -7.474 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.761 2.811 -5.810 1.00 0.50 H new ATOM 0 HB3 SER B 16 -18.360 3.151 -6.440 1.00 0.50 H new ATOM 0 HG SER B 16 -18.709 1.559 -4.325 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.710 0.027 -5.893 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.847 -0.909 -5.183 1.00 0.41 C ATOM 1207 C TYR B 17 -14.852 -0.627 -3.678 1.00 0.41 C ATOM 1208 O TYR B 17 -14.510 -1.495 -2.870 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.436 -0.878 -5.791 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.375 -0.215 -4.948 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -12.223 1.160 -4.939 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.514 -0.979 -4.175 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -11.243 1.757 -4.181 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.526 -0.401 -3.413 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.397 0.980 -3.423 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.420 1.584 -2.685 1.00 1.42 O ATOM 0 H TYR B 17 -15.226 0.630 -6.558 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.233 -1.921 -5.303 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -13.125 -1.903 -5.994 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.485 -0.364 -6.751 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.883 1.773 -5.535 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.622 -2.054 -4.171 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -11.138 2.832 -4.181 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -9.863 -1.011 -2.818 1.00 1.49 H new ATOM 0 HH TYR B 17 -8.906 0.903 -2.204 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.276 0.576 -3.305 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.350 0.956 -1.901 1.00 0.44 C ATOM 1228 C GLN B 18 -16.648 0.455 -1.277 1.00 0.38 C ATOM 1229 O GLN B 18 -16.775 0.384 -0.051 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.216 2.461 -1.748 1.00 0.52 C ATOM 1231 CG GLN B 18 -13.776 2.931 -1.825 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.657 4.414 -2.065 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.644 5.206 -1.124 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.574 4.806 -3.331 1.00 0.87 N ATOM 0 H GLN B 18 -15.573 1.303 -3.956 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.520 0.488 -1.372 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.797 2.954 -2.527 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.642 2.764 -0.792 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -13.265 2.676 -0.896 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.266 2.396 -2.626 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.588 4.115 -4.081 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.496 5.798 -3.554 1.00 0.87 H new ATOM 1243 N THR B 19 -17.615 0.107 -2.124 1.00 0.39 N ATOM 1244 CA THR B 19 -18.879 -0.435 -1.650 1.00 0.38 C ATOM 1245 C THR B 19 -18.602 -1.786 -1.004 1.00 0.34 C ATOM 1246 O THR B 19 -19.288 -2.210 -0.074 1.00 0.36 O ATOM 1247 CB THR B 19 -19.893 -0.607 -2.800 1.00 0.41 C ATOM 1248 OG1 THR B 19 -20.001 0.608 -3.554 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.267 -0.992 -2.275 1.00 0.45 C ATOM 0 H THR B 19 -17.544 0.192 -3.138 1.00 0.39 H new ATOM 0 HA THR B 19 -19.316 0.259 -0.932 1.00 0.38 H new ATOM 0 HB THR B 19 -19.527 -1.409 -3.442 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.942 0.778 -3.767 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.957 -1.105 -3.111 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.198 -1.934 -1.731 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.632 -0.213 -1.606 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.565 -2.446 -1.510 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.136 -3.730 -0.980 1.00 0.33 C ATOM 1259 C VAL B 20 -16.462 -3.504 0.371 1.00 0.36 C ATOM 1260 O VAL B 20 -16.811 -4.151 1.359 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.178 -4.459 -1.943 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.032 -5.915 -1.551 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.667 -4.349 -3.376 1.00 0.44 C ATOM 0 H VAL B 20 -17.004 -2.107 -2.292 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.012 -4.367 -0.861 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.202 -3.980 -1.873 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.352 -6.412 -2.243 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.632 -5.981 -0.539 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.007 -6.401 -1.588 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.975 -4.871 -4.038 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.657 -4.798 -3.458 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.721 -3.299 -3.663 1.00 0.44 H new ATOM 1273 N SER B 21 -15.502 -2.568 0.398 1.00 0.39 N ATOM 1274 CA SER B 21 -14.804 -2.181 1.615 1.00 0.45 C ATOM 1275 C SER B 21 -15.786 -1.939 2.765 1.00 0.45 C ATOM 1276 O SER B 21 -15.506 -2.268 3.920 1.00 0.52 O ATOM 1277 CB SER B 21 -14.029 -0.899 1.327 1.00 0.50 C ATOM 1278 OG SER B 21 -13.456 -0.948 0.029 1.00 1.29 O ATOM 0 H SER B 21 -15.193 -2.061 -0.431 1.00 0.39 H new ATOM 0 HA SER B 21 -14.132 -2.985 1.916 1.00 0.45 H new ATOM 0 HB2 SER B 21 -14.694 -0.039 1.406 1.00 0.50 H new ATOM 0 HB3 SER B 21 -13.245 -0.765 2.073 1.00 0.50 H new ATOM 0 HG SER B 21 -12.836 -0.197 -0.083 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.941 -1.367 2.423 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.988 -1.069 3.392 1.00 0.51 C ATOM 1286 C ARG B 22 -18.417 -2.324 4.145 1.00 0.54 C ATOM 1287 O ARG B 22 -18.262 -2.407 5.360 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.197 -0.458 2.679 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.991 0.987 2.254 1.00 0.72 C ATOM 1290 CD ARG B 22 -19.061 1.926 3.447 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.529 3.248 3.140 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.775 3.950 3.982 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.494 3.465 5.183 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.317 5.142 3.629 1.00 2.66 N ATOM 0 H ARG B 22 -17.174 -1.099 1.467 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.588 -0.357 4.114 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.429 -1.057 1.798 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -20.063 -0.513 3.339 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.023 1.090 1.763 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.750 1.266 1.523 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -20.097 2.020 3.773 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -18.503 1.496 4.279 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.746 3.657 2.231 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -17.856 2.553 5.462 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -16.916 4.004 5.828 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.542 5.523 2.710 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -16.739 5.678 4.276 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.918 -3.307 3.409 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.397 -4.554 3.997 1.00 0.58 C ATOM 1310 C VAL B 23 -18.264 -5.349 4.640 1.00 0.62 C ATOM 1311 O VAL B 23 -18.443 -5.974 5.686 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.073 -5.439 2.930 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.804 -6.606 3.577 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.028 -4.624 2.075 1.00 0.55 C ATOM 0 H VAL B 23 -19.004 -3.265 2.394 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.119 -4.280 4.766 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.291 -5.839 2.284 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.272 -7.215 2.804 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.094 -7.214 4.138 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.570 -6.226 4.253 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.492 -5.271 1.330 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.800 -4.187 2.708 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.478 -3.828 1.572 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.098 -5.307 4.011 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.931 -6.036 4.486 1.00 0.69 C ATOM 1326 C VAL B 24 -15.502 -5.594 5.893 1.00 0.76 C ATOM 1327 O VAL B 24 -15.107 -6.427 6.719 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.761 -5.876 3.490 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.473 -6.414 4.071 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.077 -6.583 2.177 1.00 0.66 C ATOM 0 H VAL B 24 -16.935 -4.769 3.160 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.208 -7.088 4.551 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.631 -4.811 3.297 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.667 -6.288 3.348 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.230 -5.870 4.984 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.592 -7.473 4.301 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.242 -6.460 1.487 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.239 -7.644 2.365 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.976 -6.151 1.738 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.598 -4.297 6.171 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.202 -3.769 7.475 1.00 0.79 C ATOM 1342 C ASN B 25 -16.405 -3.581 8.386 1.00 1.20 C ATOM 1343 O ASN B 25 -16.631 -4.358 9.308 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.486 -2.427 7.319 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.135 -2.564 6.658 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.117 -2.746 7.329 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.115 -2.465 5.339 1.00 1.07 N ATOM 0 H ASN B 25 -15.944 -3.595 5.516 1.00 0.72 H new ATOM 0 HA ASN B 25 -14.527 -4.497 7.924 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.108 -1.754 6.730 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.362 -1.969 8.300 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.231 -2.539 4.835 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.983 -2.314 4.826 1.00 1.07 H new ATOM 1392 N HIS B 29 -24.256 1.224 5.382 1.00 0.98 N ATOM 1393 CA HIS B 29 -24.254 2.086 4.221 1.00 0.93 C ATOM 1394 C HIS B 29 -24.579 1.273 2.970 1.00 0.85 C ATOM 1395 O HIS B 29 -24.075 1.548 1.882 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.913 2.788 4.026 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.275 3.413 5.234 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.275 4.346 5.113 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -22.504 3.288 6.567 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.920 4.767 6.299 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -21.645 4.145 7.205 1.00 1.31 N ATOM 0 HA HIS B 29 -25.014 2.850 4.386 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.211 2.064 3.612 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.047 3.567 3.276 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -23.227 2.636 7.036 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -20.157 5.504 6.502 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -21.579 4.279 8.214 1.00 1.31 H new ATOM 1410 N VAL B 30 -25.410 0.262 3.152 1.00 0.81 N ATOM 1411 CA VAL B 30 -25.828 -0.611 2.072 1.00 0.78 C ATOM 1412 C VAL B 30 -27.335 -0.774 2.121 1.00 0.81 C ATOM 1413 O VAL B 30 -27.910 -0.953 3.193 1.00 0.92 O ATOM 1414 CB VAL B 30 -25.155 -2.001 2.158 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.823 -1.998 1.423 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -24.955 -2.413 3.609 1.00 1.22 C ATOM 0 H VAL B 30 -25.815 0.023 4.057 1.00 0.81 H new ATOM 0 HA VAL B 30 -25.522 -0.154 1.131 1.00 0.78 H new ATOM 0 HB VAL B 30 -25.814 -2.726 1.680 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -23.365 -2.985 1.495 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -23.987 -1.750 0.374 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.161 -1.257 1.872 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -24.480 -3.393 3.647 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -24.320 -1.683 4.110 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -25.922 -2.458 4.111 1.00 1.22 H new ATOM 1426 N SER B 31 -27.975 -0.707 0.965 1.00 0.82 N ATOM 1427 CA SER B 31 -29.425 -0.825 0.882 1.00 0.88 C ATOM 1428 C SER B 31 -29.865 -2.286 0.780 1.00 0.94 C ATOM 1429 O SER B 31 -30.774 -2.610 0.012 1.00 1.42 O ATOM 1430 CB SER B 31 -29.925 -0.036 -0.328 1.00 0.90 C ATOM 1431 OG SER B 31 -28.844 0.288 -1.186 1.00 0.83 O ATOM 0 H SER B 31 -27.512 -0.571 0.066 1.00 0.82 H new ATOM 0 HA SER B 31 -29.858 -0.417 1.795 1.00 0.88 H new ATOM 0 HB2 SER B 31 -30.666 -0.622 -0.871 1.00 0.90 H new ATOM 0 HB3 SER B 31 -30.421 0.876 0.004 1.00 0.90 H new ATOM 0 HG SER B 31 -29.178 0.792 -1.957 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.208 -3.151 1.566 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.491 -4.590 1.603 1.00 0.92 C ATOM 1439 C ALA B 32 -29.103 -5.280 0.296 1.00 0.86 C ATOM 1440 O ALA B 32 -28.235 -6.152 0.279 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.956 -4.845 1.933 1.00 1.07 C ATOM 0 H ALA B 32 -28.460 -2.868 2.198 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.877 -5.021 2.394 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.142 -5.919 1.955 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.189 -4.416 2.908 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.586 -4.383 1.173 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.739 -4.864 -0.792 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.487 -5.428 -2.112 1.00 0.87 C ATOM 1449 C LYS B 33 -28.024 -5.254 -2.506 1.00 0.79 C ATOM 1450 O LYS B 33 -27.436 -6.133 -3.134 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.400 -4.770 -3.147 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.542 -5.568 -4.434 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.831 -5.219 -5.163 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.090 -6.165 -6.324 1.00 2.55 C ATOM 1455 NZ LYS B 33 -32.148 -7.582 -5.885 1.00 3.30 N ATOM 0 H LYS B 33 -30.444 -4.127 -0.784 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.704 -6.496 -2.078 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.387 -4.627 -2.708 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -30.010 -3.780 -3.385 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.689 -5.369 -5.083 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.528 -6.634 -4.207 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -32.667 -5.261 -4.465 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.775 -4.195 -5.533 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -33.029 -5.897 -6.808 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -31.303 -6.048 -7.069 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -32.661 -8.144 -6.593 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -31.182 -7.953 -5.782 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.641 -7.642 -4.971 1.00 3.30 H new ATOM 1469 N THR B 34 -27.440 -4.121 -2.123 1.00 0.68 N ATOM 1470 CA THR B 34 -26.043 -3.836 -2.418 1.00 0.61 C ATOM 1471 C THR B 34 -25.137 -4.827 -1.698 1.00 0.57 C ATOM 1472 O THR B 34 -24.210 -5.370 -2.288 1.00 0.54 O ATOM 1473 CB THR B 34 -25.672 -2.403 -1.996 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.827 -1.744 -1.459 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.135 -1.609 -3.176 1.00 0.73 C ATOM 0 H THR B 34 -27.918 -3.384 -1.605 1.00 0.68 H new ATOM 0 HA THR B 34 -25.903 -3.932 -3.495 1.00 0.61 H new ATOM 0 HB THR B 34 -24.893 -2.460 -1.236 1.00 0.64 H new ATOM 0 HG1 THR B 34 -27.031 -0.951 -1.997 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.881 -0.600 -2.850 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.244 -2.099 -3.569 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.895 -1.558 -3.956 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.433 -5.067 -0.423 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.657 -5.998 0.387 1.00 0.61 C ATOM 1485 C ARG B 35 -24.747 -7.410 -0.186 1.00 0.60 C ATOM 1486 O ARG B 35 -23.736 -8.102 -0.333 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.152 -5.981 1.839 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.426 -6.962 2.747 1.00 0.89 C ATOM 1489 CD ARG B 35 -24.890 -6.847 4.193 1.00 1.00 C ATOM 1490 NE ARG B 35 -24.334 -7.912 5.023 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.202 -7.844 6.348 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -24.642 -6.784 7.017 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -23.639 -8.849 7.005 1.00 3.21 N ATOM 0 H ARG B 35 -26.209 -4.627 0.072 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.613 -5.684 0.369 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.036 -4.974 2.241 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.218 -6.209 1.852 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.594 -7.979 2.391 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.353 -6.779 2.694 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -24.592 -5.879 4.595 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -25.979 -6.887 4.231 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.026 -8.766 4.558 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.085 -6.013 6.517 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -24.537 -6.741 8.031 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -23.309 -9.669 6.497 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -23.536 -8.801 8.019 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.967 -7.820 -0.514 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.216 -9.142 -1.079 1.00 0.67 C ATOM 1509 C GLU B 36 -25.523 -9.296 -2.428 1.00 0.62 C ATOM 1510 O GLU B 36 -24.972 -10.351 -2.737 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.721 -9.370 -1.251 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.499 -9.365 0.053 1.00 0.84 C ATOM 1513 CD GLU B 36 -28.354 -10.655 0.829 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -29.088 -11.620 0.524 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -27.520 -10.711 1.754 1.00 1.98 O ATOM 0 H GLU B 36 -26.805 -7.251 -0.397 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.812 -9.884 -0.390 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.123 -8.596 -1.905 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.879 -10.325 -1.753 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.157 -8.535 0.671 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -29.554 -9.191 -0.160 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.533 -8.226 -3.215 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.926 -8.238 -4.541 1.00 0.56 C ATOM 1524 C LYS B 37 -23.409 -8.393 -4.455 1.00 0.48 C ATOM 1525 O LYS B 37 -22.803 -9.098 -5.267 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.297 -6.960 -5.297 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.848 -6.949 -6.751 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.640 -5.949 -7.580 1.00 1.13 C ATOM 1529 CE LYS B 37 -25.370 -4.512 -7.150 1.00 1.31 C ATOM 1530 NZ LYS B 37 -26.182 -3.540 -7.927 1.00 1.66 N ATOM 0 H LYS B 37 -25.957 -7.335 -2.956 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.314 -9.098 -5.088 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.379 -6.829 -5.260 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.855 -6.106 -4.784 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -23.787 -6.704 -6.802 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -24.965 -7.946 -7.175 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -25.384 -6.067 -8.633 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.705 -6.162 -7.485 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -25.591 -4.403 -6.088 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -24.311 -4.287 -7.280 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -25.970 -2.574 -7.605 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -25.953 -3.626 -8.938 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.193 -3.739 -7.783 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.802 -7.744 -3.470 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.357 -7.824 -3.286 1.00 0.37 C ATOM 1546 C VAL B 38 -20.954 -9.210 -2.785 1.00 0.39 C ATOM 1547 O VAL B 38 -20.061 -9.848 -3.344 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.846 -6.756 -2.297 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.354 -6.910 -2.062 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.154 -5.360 -2.816 1.00 0.38 C ATOM 0 H VAL B 38 -23.284 -7.158 -2.788 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.901 -7.639 -4.259 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.361 -6.899 -1.347 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.015 -6.147 -1.362 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.151 -7.898 -1.648 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.823 -6.796 -3.007 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.787 -4.619 -2.106 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.665 -5.214 -3.779 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.231 -5.246 -2.935 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.635 -9.676 -1.741 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.358 -10.984 -1.163 1.00 0.50 C ATOM 1562 C GLU B 39 -21.569 -12.085 -2.193 1.00 0.53 C ATOM 1563 O GLU B 39 -20.801 -13.044 -2.252 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.242 -11.217 0.061 1.00 0.59 C ATOM 1565 CG GLU B 39 -21.644 -10.674 1.347 1.00 0.63 C ATOM 1566 CD GLU B 39 -20.784 -11.689 2.071 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -19.616 -11.880 1.674 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -21.273 -12.289 3.053 1.00 1.76 O ATOM 0 H GLU B 39 -22.385 -9.163 -1.278 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.314 -11.010 -0.850 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.212 -10.749 -0.106 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.419 -12.287 0.174 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.044 -9.793 1.119 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.448 -10.350 2.007 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.606 -11.936 -3.014 1.00 0.55 N ATOM 1576 CA ALA B 40 -22.902 -12.913 -4.049 1.00 0.61 C ATOM 1577 C ALA B 40 -21.821 -12.893 -5.121 1.00 0.53 C ATOM 1578 O ALA B 40 -21.396 -13.942 -5.603 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.265 -12.651 -4.670 1.00 0.70 C ATOM 0 H ALA B 40 -23.252 -11.148 -2.980 1.00 0.55 H new ATOM 0 HA ALA B 40 -22.922 -13.900 -3.588 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.463 -13.395 -5.441 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.034 -12.714 -3.900 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.277 -11.656 -5.115 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.360 -11.689 -5.470 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.320 -11.525 -6.484 1.00 0.43 C ATOM 1587 C ALA B 41 -19.049 -12.265 -6.081 1.00 0.38 C ATOM 1588 O ALA B 41 -18.303 -12.762 -6.929 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.023 -10.048 -6.712 1.00 0.42 C ATOM 0 H ALA B 41 -21.692 -10.814 -5.064 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.686 -11.954 -7.417 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.246 -9.946 -7.470 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.928 -9.543 -7.049 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.682 -9.597 -5.780 1.00 0.42 H new ATOM 1595 N MET B 42 -18.830 -12.354 -4.772 1.00 0.38 N ATOM 1596 CA MET B 42 -17.670 -13.042 -4.225 1.00 0.40 C ATOM 1597 C MET B 42 -17.720 -14.530 -4.568 1.00 0.45 C ATOM 1598 O MET B 42 -16.697 -15.213 -4.570 1.00 0.52 O ATOM 1599 CB MET B 42 -17.606 -12.877 -2.704 1.00 0.44 C ATOM 1600 CG MET B 42 -17.344 -11.451 -2.241 1.00 0.41 C ATOM 1601 SD MET B 42 -17.064 -11.345 -0.462 1.00 0.51 S ATOM 1602 CE MET B 42 -17.045 -9.569 -0.231 1.00 0.46 C ATOM 0 H MET B 42 -19.448 -11.953 -4.067 1.00 0.38 H new ATOM 0 HA MET B 42 -16.779 -12.597 -4.669 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.547 -13.220 -2.273 1.00 0.44 H new ATOM 0 HB3 MET B 42 -16.821 -13.524 -2.312 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.475 -11.055 -2.767 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.193 -10.823 -2.510 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.423 -9.321 0.629 1.00 0.46 H new ATOM 0 HE2 MET B 42 -16.639 -9.090 -1.122 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.061 -9.214 -0.059 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.916 -15.025 -4.864 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.101 -16.428 -5.206 1.00 0.53 C ATOM 1614 C ALA B 43 -19.191 -16.621 -6.719 1.00 0.55 C ATOM 1615 O ALA B 43 -18.737 -17.635 -7.250 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.342 -16.980 -4.526 1.00 0.61 C ATOM 0 H ALA B 43 -19.774 -14.473 -4.874 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.231 -16.979 -4.849 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.466 -18.030 -4.792 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.235 -16.890 -3.445 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.217 -16.417 -4.852 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.760 -15.633 -7.406 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.914 -15.689 -8.861 1.00 0.58 C ATOM 1624 C GLU B 44 -18.560 -15.760 -9.554 1.00 0.59 C ATOM 1625 O GLU B 44 -18.366 -16.550 -10.479 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.662 -14.456 -9.374 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.914 -14.123 -8.588 1.00 0.63 C ATOM 1628 CD GLU B 44 -23.148 -14.826 -9.108 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.296 -16.040 -8.860 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -23.978 -14.166 -9.772 1.00 1.55 O ATOM 0 H GLU B 44 -20.123 -14.781 -6.979 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.485 -16.589 -9.091 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.990 -13.599 -9.347 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.932 -14.616 -10.418 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.762 -14.394 -7.543 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.078 -13.046 -8.617 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.631 -14.933 -9.101 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.294 -14.889 -9.691 1.00 0.55 C ATOM 1639 C LEU B 45 -15.289 -15.683 -8.873 1.00 0.55 C ATOM 1640 O LEU B 45 -14.164 -15.907 -9.321 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.810 -13.438 -9.794 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.893 -12.406 -10.103 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.719 -11.183 -9.216 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -16.841 -12.015 -11.568 1.00 0.99 C ATOM 0 H LEU B 45 -17.774 -14.283 -8.328 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.365 -15.336 -10.683 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.330 -13.165 -8.854 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -15.047 -13.382 -10.570 1.00 0.51 H new ATOM 0 HG LEU B 45 -17.869 -12.846 -9.898 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.496 -10.454 -9.445 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -16.795 -11.479 -8.170 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -15.740 -10.739 -9.397 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.618 -11.279 -11.776 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -15.865 -11.587 -11.796 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -17.003 -12.898 -12.186 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.707 -16.114 -7.681 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.835 -16.852 -6.765 1.00 0.59 C ATOM 1658 C ASN B 46 -13.736 -15.917 -6.273 1.00 0.54 C ATOM 1659 O ASN B 46 -12.555 -16.090 -6.580 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.234 -18.089 -7.439 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.780 -19.136 -6.442 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.469 -20.128 -6.207 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -12.616 -18.924 -5.851 1.00 1.40 N ATOM 0 H ASN B 46 -16.651 -15.963 -7.326 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.425 -17.205 -5.919 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.973 -18.528 -8.109 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.386 -17.787 -8.054 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -12.259 -19.596 -5.172 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.075 -18.088 -6.074 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.159 -14.910 -5.522 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.269 -13.884 -4.991 1.00 0.46 C ATOM 1672 C TYR B 47 -12.138 -14.474 -4.152 1.00 0.52 C ATOM 1673 O TYR B 47 -12.365 -15.152 -3.150 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.089 -12.872 -4.172 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.281 -11.798 -3.460 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.060 -11.367 -3.955 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -13.746 -11.224 -2.283 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.323 -10.399 -3.303 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.012 -10.254 -1.621 1.00 1.33 C ATOM 1680 CZ TYR B 47 -11.798 -9.847 -2.137 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.052 -8.889 -1.484 1.00 0.51 O ATOM 0 H TYR B 47 -15.137 -14.780 -5.261 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.797 -13.377 -5.833 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.801 -12.385 -4.838 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.670 -13.418 -3.428 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.678 -11.797 -4.869 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -14.696 -11.540 -1.878 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.375 -10.076 -3.708 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.387 -9.819 -0.707 1.00 1.33 H new ATOM 0 HH TYR B 47 -11.526 -8.599 -0.677 1.00 0.51 H new ATOM 1691 N ILE B 48 -10.918 -14.212 -4.595 1.00 0.56 N ATOM 1692 CA ILE B 48 -9.718 -14.655 -3.904 1.00 0.64 C ATOM 1693 C ILE B 48 -8.850 -13.430 -3.636 1.00 0.59 C ATOM 1694 O ILE B 48 -8.099 -12.998 -4.509 1.00 0.58 O ATOM 1695 CB ILE B 48 -8.907 -15.685 -4.723 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -9.747 -16.935 -5.013 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -7.631 -16.056 -3.978 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.084 -17.742 -3.778 1.00 1.28 C ATOM 0 H ILE B 48 -10.732 -13.684 -5.448 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.017 -15.148 -2.979 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.637 -15.234 -5.678 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.673 -16.634 -5.503 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.207 -17.570 -5.715 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.066 -16.782 -4.563 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.025 -15.163 -3.826 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -7.887 -16.489 -3.011 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.679 -18.610 -4.062 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.163 -18.074 -3.298 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -10.652 -17.124 -3.083 1.00 1.28 H new ATOM 1710 N PRO B 49 -8.961 -12.855 -2.427 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.221 -11.652 -2.039 1.00 0.64 C ATOM 1712 C PRO B 49 -6.753 -11.694 -2.435 1.00 0.60 C ATOM 1713 O PRO B 49 -6.086 -12.720 -2.268 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.364 -11.627 -0.521 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.658 -12.310 -0.259 1.00 0.83 C ATOM 1716 CD PRO B 49 -9.807 -13.356 -1.333 1.00 0.72 C ATOM 0 HA PRO B 49 -8.611 -10.766 -2.540 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.536 -12.144 -0.036 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.369 -10.606 -0.139 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.664 -12.765 0.731 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.485 -11.601 -0.289 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -9.476 -14.335 -0.987 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -10.845 -13.463 -1.647 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.273 -10.584 -2.996 1.00 0.57 N ATOM 1725 CA ASN B 50 -4.881 -10.459 -3.420 1.00 0.58 C ATOM 1726 C ASN B 50 -3.955 -10.691 -2.234 1.00 0.60 C ATOM 1727 O ASN B 50 -3.678 -9.765 -1.488 1.00 0.71 O ATOM 1728 CB ASN B 50 -4.603 -9.058 -3.989 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.575 -8.623 -5.070 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -6.793 -8.709 -4.905 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.031 -8.142 -6.183 1.00 0.68 N ATOM 0 H ASN B 50 -6.836 -9.751 -3.168 1.00 0.57 H new ATOM 0 HA ASN B 50 -4.699 -11.204 -4.194 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -4.635 -8.334 -3.175 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -3.592 -9.037 -4.395 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -5.628 -7.825 -6.947 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.016 -8.090 -6.274 1.00 0.68 H new ATOM 1738 N ARG B 51 -3.465 -11.914 -2.078 1.00 0.72 N ATOM 1739 CA ARG B 51 -2.593 -12.261 -0.955 1.00 0.84 C ATOM 1740 C ARG B 51 -1.414 -11.299 -0.794 1.00 0.76 C ATOM 1741 O ARG B 51 -0.975 -11.032 0.321 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.071 -13.687 -1.114 1.00 1.06 C ATOM 1743 CG ARG B 51 -3.007 -14.741 -0.549 1.00 1.68 C ATOM 1744 CD ARG B 51 -3.147 -14.609 0.958 1.00 2.18 C ATOM 1745 NE ARG B 51 -1.862 -14.744 1.642 1.00 2.97 N ATOM 1746 CZ ARG B 51 -1.717 -15.234 2.870 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -2.776 -15.589 3.580 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -0.505 -15.350 3.393 1.00 4.76 N ATOM 0 H ARG B 51 -3.655 -12.687 -2.715 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.201 -12.181 -0.054 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -1.906 -13.889 -2.172 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -1.103 -13.769 -0.619 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -3.987 -14.647 -1.016 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -2.630 -15.734 -0.795 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -3.585 -13.640 1.198 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -3.835 -15.370 1.326 1.00 2.18 H new ATOM 0 HE ARG B 51 -1.023 -14.443 1.146 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -3.711 -15.488 3.186 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -2.657 -15.964 4.521 1.00 4.03 H new ATOM 0 HH21 ARG B 51 0.312 -15.064 2.854 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -0.390 -15.725 4.334 1.00 4.76 H new ATOM 1762 N CYS B 52 -0.919 -10.763 -1.895 1.00 0.66 N ATOM 1763 CA CYS B 52 0.212 -9.856 -1.844 1.00 0.62 C ATOM 1764 C CYS B 52 -0.212 -8.436 -1.485 1.00 0.58 C ATOM 1765 O CYS B 52 0.300 -7.849 -0.536 1.00 0.61 O ATOM 1766 CB CYS B 52 0.939 -9.851 -3.188 1.00 0.66 C ATOM 1767 SG CYS B 52 1.388 -11.508 -3.809 1.00 0.70 S ATOM 0 H CYS B 52 -1.281 -10.940 -2.832 1.00 0.66 H new ATOM 0 HA CYS B 52 0.882 -10.212 -1.062 1.00 0.62 H new ATOM 0 HB2 CYS B 52 0.307 -9.358 -3.927 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.846 -9.253 -3.095 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.152 -7.897 -2.245 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.624 -6.532 -2.040 1.00 0.52 C ATOM 1774 C ALA B 53 -2.500 -6.378 -0.794 1.00 0.51 C ATOM 1775 O ALA B 53 -2.420 -5.364 -0.103 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.362 -6.067 -3.274 1.00 0.53 C ATOM 0 H ALA B 53 -1.607 -8.386 -3.015 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.748 -5.905 -1.870 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.716 -5.047 -3.124 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.690 -6.095 -4.132 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.213 -6.723 -3.458 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.326 -7.378 -0.503 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.215 -7.329 0.658 1.00 0.53 C ATOM 1784 C GLN B 54 -3.431 -7.386 1.961 1.00 0.58 C ATOM 1785 O GLN B 54 -3.583 -6.515 2.813 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.232 -8.472 0.615 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.516 -8.127 -0.116 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.578 -7.575 0.815 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.273 -6.931 1.815 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.835 -7.832 0.498 1.00 0.64 N ATOM 0 H GLN B 54 -3.400 -8.233 -1.054 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.748 -6.379 0.618 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.773 -9.336 0.134 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.475 -8.767 1.636 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.303 -7.395 -0.895 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.899 -9.018 -0.613 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.049 -8.371 -0.341 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.591 -7.492 1.093 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.590 -8.409 2.116 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.788 -8.553 3.333 1.00 0.62 C ATOM 1801 C GLN B 55 -0.908 -7.327 3.534 1.00 0.60 C ATOM 1802 O GLN B 55 -0.608 -6.937 4.665 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.936 -9.817 3.267 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.733 -11.090 3.497 1.00 1.19 C ATOM 1805 CD GLN B 55 -2.006 -11.364 4.963 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -2.109 -10.446 5.779 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -2.131 -12.634 5.307 1.00 2.52 N ATOM 0 H GLN B 55 -2.446 -9.143 1.423 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.463 -8.639 4.184 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.452 -9.870 2.292 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.144 -9.753 4.013 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.681 -11.019 2.964 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -1.190 -11.934 3.071 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -2.039 -13.365 4.602 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -2.320 -12.883 6.278 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.500 -6.745 2.414 1.00 0.54 N ATOM 1817 CA LEU B 56 0.309 -5.539 2.396 1.00 0.53 C ATOM 1818 C LEU B 56 -0.485 -4.361 2.921 1.00 0.55 C ATOM 1819 O LEU B 56 -0.183 -3.834 3.985 1.00 0.58 O ATOM 1820 CB LEU B 56 0.741 -5.262 0.965 1.00 0.48 C ATOM 1821 CG LEU B 56 1.995 -4.430 0.809 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.110 -4.986 1.666 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.408 -4.409 -0.639 1.00 0.46 C ATOM 0 H LEU B 56 -0.725 -7.102 1.485 1.00 0.54 H new ATOM 0 HA LEU B 56 1.182 -5.681 3.033 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.894 -6.216 0.460 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.075 -4.756 0.450 1.00 0.48 H new ATOM 0 HG LEU B 56 1.789 -3.411 1.138 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.004 -4.375 1.541 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.805 -4.974 2.712 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.325 -6.011 1.363 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.311 -3.810 -0.751 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.604 -5.427 -0.976 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.608 -3.975 -1.239 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.522 -3.999 2.174 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.382 -2.870 2.507 1.00 0.59 C ATOM 1837 C ALA B 57 -2.972 -2.976 3.916 1.00 0.68 C ATOM 1838 O ALA B 57 -3.098 -1.974 4.619 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.476 -2.754 1.458 1.00 0.55 C ATOM 0 H ALA B 57 -1.791 -4.483 1.317 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.775 -1.965 2.505 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -4.124 -1.912 1.700 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -3.025 -2.596 0.478 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -4.064 -3.672 1.443 1.00 0.55 H new