USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=30 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 32:sc= -1.04 USER MOD Set 1.2: B 54 GLN : amide:sc= -1.9! C(o=-2.9!,f=-5.3!) USER MOD Set 2.1: B 31 SER OG : rot 49:sc= 1.17 USER MOD Set 2.2: B 34 THR OG1 : rot 16:sc= 1.08 USER MOD Set 3.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 25 ASN : amide:sc= 0.916 K(o=0.92,f=0) USER MOD Set 4.1: B 16 SER OG : rot 180:sc= 1.08 USER MOD Set 4.2: B 19 THR OG1 : rot 59:sc= 1.18 USER MOD Set 5.1: A 31 SER OG : rot -18:sc= 0.75 USER MOD Set 5.2: A 34 THR OG1 : rot 180:sc= 0.719 USER MOD Single : A 5 THR OG1 : rot -130:sc= 0.288 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 18 GLN :FLIP amide:sc= -0.936 F(o=-3.4!,f=-0.94) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.92) USER MOD Single : A 28 SER OG : rot 180:sc= 0.052 USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.885 F(o=-3!,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00212) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 147:sc= -1.76 (180deg=-2.93) USER MOD Single : A 46 ASN : amide:sc= 0.186 X(o=0.19,f=-0.026) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.335 K(o=0.34,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 5 THR OG1 : rot -74:sc= -1.16! USER MOD Single : B 7 TYR OH : rot -77:sc= 0.856 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 HIS :FLIP no HE2:sc= -0.0942 F(o=-0.73,f=-0.094) USER MOD Single : B 33 LYS NZ :NH3+ -162:sc= -0.141 (180deg=-0.563) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -134:sc= 0 (180deg=-1.8!) USER MOD Single : B 46 ASN :FLIP amide:sc= -0.0531 F(o=-1,f=-0.053) USER MOD Single : B 50 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.1!) USER MOD Single : B 55 GLN : amide:sc= -0.0682 K(o=-0.068,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.269 -10.910 11.850 1.00 0.87 N ATOM 43 CA PRO A 3 5.981 -10.656 10.596 1.00 0.67 C ATOM 44 C PRO A 3 6.800 -9.372 10.666 1.00 0.57 C ATOM 45 O PRO A 3 6.254 -8.267 10.662 1.00 0.62 O ATOM 46 CB PRO A 3 4.867 -10.517 9.552 1.00 0.89 C ATOM 47 CG PRO A 3 3.630 -11.023 10.218 1.00 1.30 C ATOM 48 CD PRO A 3 3.817 -10.777 11.683 1.00 1.15 C ATOM 0 HA PRO A 3 6.689 -11.452 10.364 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.748 -9.479 9.241 1.00 0.89 H new ATOM 0 HB3 PRO A 3 5.095 -11.095 8.656 1.00 0.89 H new ATOM 0 HG2 PRO A 3 2.747 -10.504 9.845 1.00 1.30 H new ATOM 0 HG3 PRO A 3 3.485 -12.084 10.016 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.465 -9.788 11.976 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.272 -11.501 12.288 1.00 1.15 H new ATOM 56 N VAL A 4 8.112 -9.530 10.741 1.00 0.48 N ATOM 57 CA VAL A 4 9.018 -8.399 10.813 1.00 0.41 C ATOM 58 C VAL A 4 9.133 -7.733 9.448 1.00 0.36 C ATOM 59 O VAL A 4 9.127 -8.406 8.416 1.00 0.37 O ATOM 60 CB VAL A 4 10.411 -8.840 11.308 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.331 -7.647 11.526 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.276 -9.643 12.586 1.00 0.54 C ATOM 0 H VAL A 4 8.574 -10.439 10.754 1.00 0.48 H new ATOM 0 HA VAL A 4 8.614 -7.681 11.527 1.00 0.41 H new ATOM 0 HB VAL A 4 10.860 -9.465 10.537 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.303 -7.996 11.874 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.455 -7.107 10.588 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.895 -6.983 12.272 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.264 -9.950 12.929 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.801 -9.030 13.352 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.666 -10.527 12.398 1.00 0.54 H new ATOM 72 N THR A 5 9.225 -6.416 9.443 1.00 0.33 N ATOM 73 CA THR A 5 9.318 -5.666 8.206 1.00 0.31 C ATOM 74 C THR A 5 10.722 -5.103 8.028 1.00 0.26 C ATOM 75 O THR A 5 11.528 -5.119 8.961 1.00 0.26 O ATOM 76 CB THR A 5 8.285 -4.513 8.184 1.00 0.36 C ATOM 77 OG1 THR A 5 8.891 -3.297 8.639 1.00 0.37 O ATOM 78 CG2 THR A 5 7.091 -4.844 9.074 1.00 0.41 C ATOM 0 H THR A 5 9.237 -5.842 10.286 1.00 0.33 H new ATOM 0 HA THR A 5 9.101 -6.347 7.383 1.00 0.31 H new ATOM 0 HB THR A 5 7.940 -4.386 7.158 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.327 -2.888 9.328 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.376 -4.021 9.045 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.611 -5.754 8.715 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.431 -4.993 10.099 1.00 0.41 H new ATOM 86 N LEU A 6 11.013 -4.607 6.832 1.00 0.24 N ATOM 87 CA LEU A 6 12.319 -4.028 6.544 1.00 0.20 C ATOM 88 C LEU A 6 12.544 -2.765 7.374 1.00 0.21 C ATOM 89 O LEU A 6 13.679 -2.337 7.569 1.00 0.20 O ATOM 90 CB LEU A 6 12.464 -3.734 5.046 1.00 0.21 C ATOM 91 CG LEU A 6 11.810 -2.446 4.529 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.120 -2.268 3.055 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.305 -2.460 4.747 1.00 0.29 C ATOM 0 H LEU A 6 10.363 -4.594 6.046 1.00 0.24 H new ATOM 0 HA LEU A 6 13.084 -4.754 6.820 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.527 -3.695 4.809 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.045 -4.574 4.492 1.00 0.21 H new ATOM 0 HG LEU A 6 12.221 -1.608 5.092 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.653 -1.352 2.693 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.199 -2.205 2.915 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.731 -3.119 2.496 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.874 -1.533 4.369 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.868 -3.306 4.216 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.092 -2.551 5.812 1.00 0.29 H new ATOM 105 N TYR A 7 11.457 -2.195 7.887 1.00 0.25 N ATOM 106 CA TYR A 7 11.538 -0.995 8.708 1.00 0.28 C ATOM 107 C TYR A 7 12.023 -1.364 10.099 1.00 0.28 C ATOM 108 O TYR A 7 12.735 -0.596 10.748 1.00 0.30 O ATOM 109 CB TYR A 7 10.174 -0.307 8.819 1.00 0.34 C ATOM 110 CG TYR A 7 9.638 0.239 7.517 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.251 1.311 6.883 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.509 -0.315 6.928 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.751 1.816 5.697 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.004 0.184 5.745 1.00 0.44 C ATOM 115 CZ TYR A 7 8.629 1.248 5.133 1.00 0.44 C ATOM 116 OH TYR A 7 8.127 1.748 3.953 1.00 0.49 O ATOM 0 H TYR A 7 10.510 -2.547 7.747 1.00 0.25 H new ATOM 0 HA TYR A 7 12.237 -0.306 8.234 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.454 -1.019 9.223 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.251 0.510 9.536 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.131 1.757 7.322 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.018 -1.151 7.404 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.237 2.651 5.215 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.124 -0.257 5.301 1.00 0.44 H new ATOM 0 HH TYR A 7 7.335 1.234 3.691 1.00 0.49 H new ATOM 126 N ASP A 8 11.627 -2.546 10.553 1.00 0.28 N ATOM 127 CA ASP A 8 12.026 -3.028 11.869 1.00 0.29 C ATOM 128 C ASP A 8 13.506 -3.375 11.859 1.00 0.24 C ATOM 129 O ASP A 8 14.221 -3.153 12.838 1.00 0.25 O ATOM 130 CB ASP A 8 11.202 -4.255 12.263 1.00 0.35 C ATOM 131 CG ASP A 8 10.612 -4.133 13.649 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.511 -3.557 13.779 1.00 1.51 O ATOM 133 OD2 ASP A 8 11.244 -4.606 14.615 1.00 1.75 O ATOM 0 H ASP A 8 11.031 -3.188 10.030 1.00 0.28 H new ATOM 0 HA ASP A 8 11.845 -2.242 12.602 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.398 -4.397 11.540 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.833 -5.143 12.217 1.00 0.35 H new ATOM 138 N VAL A 9 13.956 -3.907 10.730 1.00 0.21 N ATOM 139 CA VAL A 9 15.345 -4.281 10.551 1.00 0.19 C ATOM 140 C VAL A 9 16.210 -3.037 10.430 1.00 0.18 C ATOM 141 O VAL A 9 17.272 -2.938 11.043 1.00 0.20 O ATOM 142 CB VAL A 9 15.522 -5.145 9.291 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.956 -5.619 9.156 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.555 -6.318 9.328 1.00 0.22 C ATOM 0 H VAL A 9 13.367 -4.089 9.917 1.00 0.21 H new ATOM 0 HA VAL A 9 15.653 -4.859 11.422 1.00 0.19 H new ATOM 0 HB VAL A 9 15.296 -4.538 8.414 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.055 -6.228 8.257 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.619 -4.757 9.085 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.226 -6.214 10.029 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.686 -6.926 8.433 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.753 -6.925 10.211 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.532 -5.945 9.367 1.00 0.22 H new ATOM 154 N ALA A 10 15.735 -2.085 9.637 1.00 0.19 N ATOM 155 CA ALA A 10 16.445 -0.834 9.423 1.00 0.22 C ATOM 156 C ALA A 10 16.620 -0.073 10.728 1.00 0.26 C ATOM 157 O ALA A 10 17.700 0.434 11.020 1.00 0.30 O ATOM 158 CB ALA A 10 15.702 0.018 8.411 1.00 0.26 C ATOM 0 H ALA A 10 14.854 -2.158 9.129 1.00 0.19 H new ATOM 0 HA ALA A 10 17.437 -1.066 9.034 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.241 0.953 8.257 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.630 -0.520 7.466 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.700 0.234 8.783 1.00 0.26 H new ATOM 164 N GLU A 11 15.557 -0.017 11.511 1.00 0.29 N ATOM 165 CA GLU A 11 15.569 0.683 12.788 1.00 0.35 C ATOM 166 C GLU A 11 16.494 -0.002 13.795 1.00 0.37 C ATOM 167 O GLU A 11 17.093 0.653 14.647 1.00 0.46 O ATOM 168 CB GLU A 11 14.145 0.770 13.339 1.00 0.37 C ATOM 169 CG GLU A 11 13.848 2.085 14.043 1.00 0.94 C ATOM 170 CD GLU A 11 14.340 3.294 13.269 1.00 1.51 C ATOM 171 OE1 GLU A 11 13.842 3.541 12.148 1.00 2.21 O ATOM 172 OE2 GLU A 11 15.226 4.009 13.785 1.00 2.14 O ATOM 0 H GLU A 11 14.663 -0.453 11.283 1.00 0.29 H new ATOM 0 HA GLU A 11 15.955 1.689 12.624 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.438 0.637 12.520 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.983 -0.052 14.037 1.00 0.37 H new ATOM 0 HG2 GLU A 11 12.773 2.173 14.199 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.314 2.077 15.029 1.00 0.94 H new ATOM 179 N TYR A 12 16.626 -1.319 13.684 1.00 0.32 N ATOM 180 CA TYR A 12 17.475 -2.075 14.597 1.00 0.38 C ATOM 181 C TYR A 12 18.942 -1.992 14.180 1.00 0.38 C ATOM 182 O TYR A 12 19.837 -1.996 15.025 1.00 0.45 O ATOM 183 CB TYR A 12 17.030 -3.538 14.650 1.00 0.39 C ATOM 184 CG TYR A 12 17.654 -4.326 15.782 1.00 0.47 C ATOM 185 CD1 TYR A 12 17.059 -4.365 17.040 1.00 1.38 C ATOM 186 CD2 TYR A 12 18.839 -5.022 15.596 1.00 1.10 C ATOM 187 CE1 TYR A 12 17.631 -5.079 18.076 1.00 1.49 C ATOM 188 CE2 TYR A 12 19.414 -5.735 16.624 1.00 1.07 C ATOM 189 CZ TYR A 12 18.807 -5.760 17.862 1.00 0.69 C ATOM 190 OH TYR A 12 19.380 -6.474 18.887 1.00 0.82 O ATOM 0 H TYR A 12 16.158 -1.883 12.974 1.00 0.32 H new ATOM 0 HA TYR A 12 17.375 -1.635 15.589 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.945 -3.575 14.749 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.280 -4.019 13.704 1.00 0.39 H new ATOM 0 HD1 TYR A 12 16.137 -3.829 17.209 1.00 1.38 H new ATOM 0 HD2 TYR A 12 19.319 -5.004 14.629 1.00 1.10 H new ATOM 0 HE1 TYR A 12 17.158 -5.102 19.047 1.00 1.49 H new ATOM 0 HE2 TYR A 12 20.337 -6.272 16.461 1.00 1.07 H new ATOM 0 HH TYR A 12 20.205 -6.897 18.570 1.00 0.82 H new ATOM 200 N ALA A 13 19.186 -1.913 12.879 1.00 0.33 N ATOM 201 CA ALA A 13 20.546 -1.844 12.368 1.00 0.36 C ATOM 202 C ALA A 13 21.053 -0.408 12.361 1.00 0.39 C ATOM 203 O ALA A 13 22.258 -0.165 12.309 1.00 0.46 O ATOM 204 CB ALA A 13 20.606 -2.432 10.967 1.00 0.33 C ATOM 0 H ALA A 13 18.462 -1.895 12.161 1.00 0.33 H new ATOM 0 HA ALA A 13 21.190 -2.427 13.026 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.628 -2.376 10.592 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.287 -3.474 10.996 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.946 -1.868 10.307 1.00 0.33 H new ATOM 210 N GLY A 14 20.128 0.540 12.413 1.00 0.38 N ATOM 211 CA GLY A 14 20.500 1.939 12.394 1.00 0.43 C ATOM 212 C GLY A 14 20.642 2.441 10.973 1.00 0.43 C ATOM 213 O GLY A 14 21.363 3.404 10.702 1.00 0.52 O ATOM 0 H GLY A 14 19.125 0.364 12.468 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.746 2.527 12.918 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.440 2.077 12.928 1.00 0.43 H new ATOM 217 N VAL A 15 19.937 1.784 10.061 1.00 0.35 N ATOM 218 CA VAL A 15 19.978 2.126 8.651 1.00 0.35 C ATOM 219 C VAL A 15 18.586 2.467 8.160 1.00 0.34 C ATOM 220 O VAL A 15 17.667 2.660 8.954 1.00 0.36 O ATOM 221 CB VAL A 15 20.528 0.955 7.801 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.959 0.640 8.188 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.661 -0.282 7.963 1.00 0.28 C ATOM 0 H VAL A 15 19.322 1.000 10.281 1.00 0.35 H new ATOM 0 HA VAL A 15 20.640 2.985 8.541 1.00 0.35 H new ATOM 0 HB VAL A 15 20.507 1.260 6.755 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.327 -0.186 7.579 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.582 1.519 8.023 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.998 0.360 9.241 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.066 -1.092 7.357 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.649 -0.583 9.010 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.645 -0.059 7.638 1.00 0.28 H new ATOM 233 N SER A 16 18.437 2.549 6.856 1.00 0.35 N ATOM 234 CA SER A 16 17.149 2.833 6.265 1.00 0.35 C ATOM 235 C SER A 16 16.634 1.591 5.560 1.00 0.32 C ATOM 236 O SER A 16 17.418 0.716 5.189 1.00 0.32 O ATOM 237 CB SER A 16 17.249 4.005 5.295 1.00 0.40 C ATOM 238 OG SER A 16 17.810 5.132 5.941 1.00 1.26 O ATOM 0 H SER A 16 19.194 2.423 6.184 1.00 0.35 H new ATOM 0 HA SER A 16 16.447 3.112 7.051 1.00 0.35 H new ATOM 0 HB2 SER A 16 17.863 3.726 4.439 1.00 0.40 H new ATOM 0 HB3 SER A 16 16.260 4.253 4.911 1.00 0.40 H new ATOM 0 HG SER A 16 17.870 5.876 5.307 1.00 1.26 H new ATOM 244 N TYR A 17 15.318 1.498 5.414 1.00 0.32 N ATOM 245 CA TYR A 17 14.684 0.362 4.756 1.00 0.30 C ATOM 246 C TYR A 17 15.249 0.152 3.356 1.00 0.31 C ATOM 247 O TYR A 17 15.315 -0.975 2.864 1.00 0.30 O ATOM 248 CB TYR A 17 13.169 0.563 4.698 1.00 0.33 C ATOM 249 CG TYR A 17 12.726 1.785 3.922 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.689 3.034 4.525 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.342 1.686 2.589 1.00 1.27 C ATOM 252 CE1 TYR A 17 12.286 4.149 3.825 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.937 2.800 1.881 1.00 1.32 C ATOM 254 CZ TYR A 17 11.912 4.030 2.505 1.00 0.54 C ATOM 255 OH TYR A 17 11.518 5.144 1.809 1.00 0.65 O ATOM 0 H TYR A 17 14.662 2.205 5.747 1.00 0.32 H new ATOM 0 HA TYR A 17 14.898 -0.533 5.341 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.715 -0.321 4.249 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.786 0.636 5.716 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.981 3.133 5.560 1.00 1.14 H new ATOM 0 HD2 TYR A 17 12.361 0.723 2.100 1.00 1.27 H new ATOM 0 HE1 TYR A 17 12.263 5.114 4.310 1.00 1.16 H new ATOM 0 HE2 TYR A 17 11.642 2.709 0.846 1.00 1.32 H new ATOM 0 HH TYR A 17 11.287 4.891 0.891 1.00 0.65 H new ATOM 265 N GLN A 18 15.656 1.246 2.725 1.00 0.35 N ATOM 266 CA GLN A 18 16.237 1.185 1.394 1.00 0.37 C ATOM 267 C GLN A 18 17.544 0.404 1.437 1.00 0.33 C ATOM 268 O GLN A 18 17.891 -0.304 0.497 1.00 0.34 O ATOM 269 CB GLN A 18 16.489 2.593 0.855 1.00 0.46 C ATOM 270 CG GLN A 18 16.929 2.605 -0.596 1.00 0.77 C ATOM 271 CD GLN A 18 15.972 1.851 -1.492 1.00 0.50 C ATOM 272 OE1 GLN A 18 16.504 1.194 -2.507 1.00 0.66 O flip ATOM 273 NE2 GLN A 18 14.770 1.848 -1.270 1.00 1.09 N flip ATOM 0 H GLN A 18 15.594 2.186 3.116 1.00 0.35 H new ATOM 0 HA GLN A 18 15.537 0.679 0.730 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.578 3.183 0.957 1.00 0.46 H new ATOM 0 HB3 GLN A 18 17.252 3.077 1.464 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.010 3.636 -0.940 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.922 2.163 -0.676 1.00 0.77 H new ATOM 0 HE21 GLN A 18 14.397 2.368 -0.476 1.00 1.09 H new ATOM 0 HE22 GLN A 18 14.140 1.326 -1.879 1.00 1.09 H new ATOM 282 N THR A 19 18.254 0.537 2.546 1.00 0.33 N ATOM 283 CA THR A 19 19.514 -0.156 2.742 1.00 0.34 C ATOM 284 C THR A 19 19.254 -1.621 3.053 1.00 0.29 C ATOM 285 O THR A 19 19.992 -2.503 2.620 1.00 0.31 O ATOM 286 CB THR A 19 20.317 0.493 3.878 1.00 0.39 C ATOM 287 OG1 THR A 19 20.507 1.882 3.591 1.00 0.49 O ATOM 288 CG2 THR A 19 21.664 -0.183 4.043 1.00 0.45 C ATOM 0 H THR A 19 17.974 1.125 3.331 1.00 0.33 H new ATOM 0 HA THR A 19 20.099 -0.084 1.825 1.00 0.34 H new ATOM 0 HB THR A 19 19.760 0.379 4.808 1.00 0.39 H new ATOM 0 HG1 THR A 19 21.018 2.299 4.316 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.214 0.295 4.854 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.516 -1.237 4.277 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.232 -0.093 3.117 1.00 0.45 H new ATOM 296 N VAL A 20 18.195 -1.872 3.808 1.00 0.25 N ATOM 297 CA VAL A 20 17.808 -3.232 4.154 1.00 0.21 C ATOM 298 C VAL A 20 17.491 -4.035 2.895 1.00 0.20 C ATOM 299 O VAL A 20 18.083 -5.086 2.664 1.00 0.24 O ATOM 300 CB VAL A 20 16.596 -3.243 5.099 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.111 -4.662 5.352 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.947 -2.566 6.409 1.00 0.24 C ATOM 0 H VAL A 20 17.587 -1.150 4.194 1.00 0.25 H new ATOM 0 HA VAL A 20 18.650 -3.694 4.670 1.00 0.21 H new ATOM 0 HB VAL A 20 15.788 -2.691 4.620 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.253 -4.639 6.024 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.820 -5.121 4.407 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.912 -5.245 5.807 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.080 -2.580 7.070 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.773 -3.096 6.883 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.241 -1.534 6.218 1.00 0.24 H new ATOM 312 N SER A 21 16.572 -3.527 2.073 1.00 0.22 N ATOM 313 CA SER A 21 16.200 -4.200 0.834 1.00 0.25 C ATOM 314 C SER A 21 17.389 -4.270 -0.111 1.00 0.27 C ATOM 315 O SER A 21 17.508 -5.199 -0.906 1.00 0.32 O ATOM 316 CB SER A 21 15.032 -3.473 0.163 1.00 0.32 C ATOM 317 OG SER A 21 13.812 -3.774 0.812 1.00 0.87 O ATOM 0 H SER A 21 16.074 -2.654 2.245 1.00 0.22 H new ATOM 0 HA SER A 21 15.887 -5.216 1.074 1.00 0.25 H new ATOM 0 HB2 SER A 21 15.206 -2.397 0.187 1.00 0.32 H new ATOM 0 HB3 SER A 21 14.972 -3.763 -0.886 1.00 0.32 H new ATOM 0 HG SER A 21 13.079 -3.298 0.368 1.00 0.87 H new ATOM 323 N ARG A 22 18.283 -3.294 0.006 1.00 0.30 N ATOM 324 CA ARG A 22 19.481 -3.244 -0.821 1.00 0.40 C ATOM 325 C ARG A 22 20.330 -4.487 -0.555 1.00 0.39 C ATOM 326 O ARG A 22 20.971 -5.028 -1.457 1.00 0.58 O ATOM 327 CB ARG A 22 20.278 -1.971 -0.508 1.00 0.51 C ATOM 328 CG ARG A 22 21.292 -1.590 -1.569 1.00 0.82 C ATOM 329 CD ARG A 22 20.634 -0.863 -2.729 1.00 0.75 C ATOM 330 NE ARG A 22 20.285 0.513 -2.396 1.00 0.73 N ATOM 331 CZ ARG A 22 19.591 1.312 -3.205 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.160 0.871 -4.380 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.315 2.558 -2.842 1.00 1.28 N ATOM 0 H ARG A 22 18.199 -2.524 0.669 1.00 0.30 H new ATOM 0 HA ARG A 22 19.200 -3.224 -1.874 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.581 -1.144 -0.376 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.797 -2.106 0.441 1.00 0.51 H new ATOM 0 HG2 ARG A 22 22.061 -0.955 -1.129 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.791 -2.487 -1.936 1.00 0.82 H new ATOM 0 HD2 ARG A 22 21.308 -0.867 -3.586 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.734 -1.401 -3.028 1.00 0.75 H new ATOM 0 HE ARG A 22 20.588 0.884 -1.495 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.359 -0.086 -4.670 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.629 1.489 -4.993 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.635 2.909 -1.939 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.783 3.165 -3.466 1.00 1.28 H new ATOM 347 N VAL A 23 20.289 -4.944 0.695 1.00 0.29 N ATOM 348 CA VAL A 23 21.032 -6.118 1.119 1.00 0.33 C ATOM 349 C VAL A 23 20.225 -7.384 0.853 1.00 0.34 C ATOM 350 O VAL A 23 20.741 -8.354 0.304 1.00 0.43 O ATOM 351 CB VAL A 23 21.366 -6.050 2.627 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.122 -7.293 3.073 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.156 -4.791 2.954 1.00 0.33 C ATOM 0 H VAL A 23 19.740 -4.509 1.437 1.00 0.29 H new ATOM 0 HA VAL A 23 21.959 -6.143 0.547 1.00 0.33 H new ATOM 0 HB VAL A 23 20.426 -6.011 3.177 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.345 -7.221 4.137 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.510 -8.176 2.890 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.053 -7.374 2.512 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.378 -4.768 4.021 1.00 0.33 H new ATOM 0 HG22 VAL A 23 23.088 -4.789 2.389 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.568 -3.913 2.686 1.00 0.33 H new ATOM 363 N VAL A 24 18.950 -7.353 1.239 1.00 0.29 N ATOM 364 CA VAL A 24 18.059 -8.497 1.062 1.00 0.32 C ATOM 365 C VAL A 24 17.979 -8.929 -0.403 1.00 0.34 C ATOM 366 O VAL A 24 18.013 -10.120 -0.714 1.00 0.41 O ATOM 367 CB VAL A 24 16.633 -8.191 1.583 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.712 -9.383 1.378 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.672 -7.803 3.052 1.00 0.35 C ATOM 0 H VAL A 24 18.510 -6.544 1.678 1.00 0.29 H new ATOM 0 HA VAL A 24 18.483 -9.313 1.647 1.00 0.32 H new ATOM 0 HB VAL A 24 16.239 -7.351 1.010 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.717 -9.142 1.752 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.653 -9.619 0.315 1.00 0.39 H new ATOM 0 HG13 VAL A 24 16.105 -10.244 1.919 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.661 -7.592 3.400 1.00 0.35 H new ATOM 0 HG22 VAL A 24 17.092 -8.623 3.634 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.292 -6.915 3.177 1.00 0.35 H new ATOM 379 N ASN A 25 17.889 -7.956 -1.301 1.00 0.33 N ATOM 380 CA ASN A 25 17.793 -8.246 -2.729 1.00 0.42 C ATOM 381 C ASN A 25 19.165 -8.549 -3.321 1.00 0.76 C ATOM 382 O ASN A 25 19.265 -9.102 -4.418 1.00 0.94 O ATOM 383 CB ASN A 25 17.156 -7.078 -3.488 1.00 0.83 C ATOM 384 CG ASN A 25 15.734 -6.777 -3.039 1.00 1.11 C ATOM 385 OD1 ASN A 25 15.005 -7.788 -2.593 1.00 1.72 O flip ATOM 386 ND2 ASN A 25 15.285 -5.633 -3.102 1.00 1.15 N flip ATOM 0 H ASN A 25 17.880 -6.963 -1.069 1.00 0.33 H new ATOM 0 HA ASN A 25 17.159 -9.126 -2.838 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.769 -6.187 -3.352 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.153 -7.304 -4.554 1.00 0.83 H new ATOM 0 HD21 ASN A 25 15.871 -4.874 -3.450 1.00 1.15 H new ATOM 0 HD22 ASN A 25 14.327 -5.444 -2.806 1.00 1.15 H new ATOM 393 N GLN A 26 20.212 -8.193 -2.584 1.00 1.08 N ATOM 394 CA GLN A 26 21.589 -8.408 -3.021 1.00 1.58 C ATOM 395 C GLN A 26 21.842 -7.714 -4.355 1.00 1.10 C ATOM 396 O GLN A 26 22.067 -8.362 -5.380 1.00 1.64 O ATOM 397 CB GLN A 26 21.902 -9.903 -3.134 1.00 2.64 C ATOM 398 CG GLN A 26 22.157 -10.577 -1.797 1.00 3.42 C ATOM 399 CD GLN A 26 23.414 -10.064 -1.115 1.00 4.28 C ATOM 400 OE1 GLN A 26 24.359 -9.619 -1.771 1.00 4.88 O ATOM 401 NE2 GLN A 26 23.431 -10.114 0.206 1.00 4.73 N ATOM 0 H GLN A 26 20.132 -7.749 -1.669 1.00 1.08 H new ATOM 0 HA GLN A 26 22.251 -7.976 -2.270 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.070 -10.403 -3.630 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.777 -10.035 -3.770 1.00 2.64 H new ATOM 0 HG2 GLN A 26 21.301 -10.414 -1.143 1.00 3.42 H new ATOM 0 HG3 GLN A 26 22.243 -11.653 -1.947 1.00 3.42 H new ATOM 0 HE21 GLN A 26 22.629 -10.489 0.713 1.00 4.73 H new ATOM 0 HE22 GLN A 26 24.246 -9.777 0.719 1.00 4.73 H new ATOM 410 N ALA A 27 21.793 -6.393 -4.336 1.00 0.83 N ATOM 411 CA ALA A 27 22.002 -5.608 -5.538 1.00 1.50 C ATOM 412 C ALA A 27 23.243 -4.735 -5.407 1.00 1.34 C ATOM 413 O ALA A 27 24.187 -5.083 -4.694 1.00 2.01 O ATOM 414 CB ALA A 27 20.775 -4.761 -5.812 1.00 2.27 C ATOM 0 H ALA A 27 21.610 -5.841 -3.498 1.00 0.83 H new ATOM 0 HA ALA A 27 22.161 -6.284 -6.378 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.934 -4.172 -6.715 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.909 -5.409 -5.949 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.599 -4.093 -4.969 1.00 2.27 H new ATOM 420 N SER A 28 23.243 -3.615 -6.111 1.00 1.04 N ATOM 421 CA SER A 28 24.351 -2.677 -6.068 1.00 0.84 C ATOM 422 C SER A 28 24.102 -1.639 -4.974 1.00 0.71 C ATOM 423 O SER A 28 23.089 -1.715 -4.284 1.00 0.73 O ATOM 424 CB SER A 28 24.495 -2.008 -7.437 1.00 0.91 C ATOM 425 OG SER A 28 23.598 -2.590 -8.370 1.00 1.52 O ATOM 0 H SER A 28 22.479 -3.332 -6.725 1.00 1.04 H new ATOM 0 HA SER A 28 25.278 -3.201 -5.836 1.00 0.84 H new ATOM 0 HB2 SER A 28 24.296 -0.940 -7.349 1.00 0.91 H new ATOM 0 HB3 SER A 28 25.520 -2.113 -7.794 1.00 0.91 H new ATOM 0 HG SER A 28 23.700 -2.151 -9.240 1.00 1.52 H new ATOM 431 N HIS A 29 25.009 -0.662 -4.832 1.00 0.61 N ATOM 432 CA HIS A 29 24.885 0.382 -3.817 1.00 0.53 C ATOM 433 C HIS A 29 24.898 -0.189 -2.397 1.00 0.59 C ATOM 434 O HIS A 29 24.244 0.356 -1.506 1.00 0.76 O ATOM 435 CB HIS A 29 23.606 1.206 -3.969 1.00 0.50 C ATOM 436 CG HIS A 29 23.165 1.566 -5.360 1.00 0.50 C ATOM 437 ND1 HIS A 29 23.670 1.296 -6.591 1.00 0.46 N flip ATOM 438 CD2 HIS A 29 22.063 2.362 -5.574 1.00 0.64 C flip ATOM 439 CE1 HIS A 29 22.868 1.934 -7.504 1.00 0.53 C flip ATOM 440 NE2 HIS A 29 21.908 2.569 -6.858 1.00 0.63 N flip ATOM 0 H HIS A 29 25.842 -0.577 -5.415 1.00 0.61 H new ATOM 0 HA HIS A 29 25.753 1.023 -3.973 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.795 0.656 -3.492 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.736 2.132 -3.409 1.00 0.50 H new ATOM 0 HD2 HIS A 29 21.422 2.757 -4.799 1.00 0.64 H new ATOM 0 HE1 HIS A 29 23.001 1.919 -8.576 1.00 0.53 H new ATOM 0 HE2 HIS A 29 21.170 3.127 -7.287 1.00 0.63 H new ATOM 449 N VAL A 30 25.635 -1.268 -2.173 1.00 0.66 N ATOM 450 CA VAL A 30 25.685 -1.866 -0.845 1.00 0.76 C ATOM 451 C VAL A 30 27.103 -1.929 -0.307 1.00 0.72 C ATOM 452 O VAL A 30 27.985 -2.538 -0.915 1.00 0.78 O ATOM 453 CB VAL A 30 25.105 -3.296 -0.797 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.481 -3.549 0.559 1.00 1.01 C ATOM 455 CG2 VAL A 30 24.091 -3.528 -1.895 1.00 1.16 C ATOM 0 H VAL A 30 26.198 -1.741 -2.880 1.00 0.66 H new ATOM 0 HA VAL A 30 25.070 -1.212 -0.228 1.00 0.76 H new ATOM 0 HB VAL A 30 25.924 -3.998 -0.958 1.00 0.94 H new ATOM 0 HG11 VAL A 30 24.073 -4.559 0.589 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.239 -3.441 1.334 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.681 -2.829 0.731 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.707 -4.546 -1.826 1.00 1.16 H new ATOM 0 HG22 VAL A 30 23.268 -2.821 -1.786 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.566 -3.384 -2.865 1.00 1.16 H new ATOM 465 N SER A 31 27.312 -1.289 0.831 1.00 0.71 N ATOM 466 CA SER A 31 28.615 -1.298 1.474 1.00 0.76 C ATOM 467 C SER A 31 28.672 -2.421 2.502 1.00 0.83 C ATOM 468 O SER A 31 27.646 -2.775 3.093 1.00 1.30 O ATOM 469 CB SER A 31 28.907 0.048 2.144 1.00 0.75 C ATOM 470 OG SER A 31 28.028 0.292 3.229 1.00 0.74 O ATOM 0 H SER A 31 26.597 -0.757 1.328 1.00 0.71 H new ATOM 0 HA SER A 31 29.376 -1.466 0.712 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.937 0.062 2.499 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.812 0.849 1.410 1.00 0.75 H new ATOM 0 HG SER A 31 27.248 -0.297 3.157 1.00 0.74 H new ATOM 476 N ALA A 32 29.856 -2.972 2.716 1.00 0.86 N ATOM 477 CA ALA A 32 30.036 -4.060 3.669 1.00 0.86 C ATOM 478 C ALA A 32 29.561 -3.669 5.059 1.00 0.75 C ATOM 479 O ALA A 32 28.850 -4.428 5.709 1.00 0.69 O ATOM 480 CB ALA A 32 31.489 -4.482 3.717 1.00 1.06 C ATOM 0 H ALA A 32 30.711 -2.683 2.241 1.00 0.86 H new ATOM 0 HA ALA A 32 29.429 -4.900 3.330 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.608 -5.295 4.433 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.803 -4.819 2.729 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.104 -3.636 4.024 1.00 1.06 H new ATOM 486 N LYS A 33 29.926 -2.467 5.480 1.00 0.80 N ATOM 487 CA LYS A 33 29.568 -1.957 6.797 1.00 0.78 C ATOM 488 C LYS A 33 28.075 -2.093 7.088 1.00 0.67 C ATOM 489 O LYS A 33 27.688 -2.610 8.137 1.00 0.69 O ATOM 490 CB LYS A 33 29.997 -0.497 6.910 1.00 0.94 C ATOM 491 CG LYS A 33 29.583 0.184 8.203 1.00 1.53 C ATOM 492 CD LYS A 33 30.745 0.943 8.827 1.00 1.99 C ATOM 493 CE LYS A 33 31.408 1.897 7.843 1.00 2.99 C ATOM 494 NZ LYS A 33 30.475 2.961 7.387 1.00 3.39 N ATOM 0 H LYS A 33 30.478 -1.818 4.920 1.00 0.80 H new ATOM 0 HA LYS A 33 30.092 -2.559 7.540 1.00 0.78 H new ATOM 0 HB2 LYS A 33 31.082 -0.442 6.817 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.576 0.058 6.071 1.00 0.94 H new ATOM 0 HG2 LYS A 33 28.761 0.872 8.007 1.00 1.53 H new ATOM 0 HG3 LYS A 33 29.214 -0.562 8.907 1.00 1.53 H new ATOM 0 HD2 LYS A 33 30.387 1.505 9.690 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.485 0.232 9.195 1.00 1.99 H new ATOM 0 HE2 LYS A 33 32.279 2.355 8.312 1.00 2.99 H new ATOM 0 HE3 LYS A 33 31.768 1.336 6.981 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 30.970 3.599 6.732 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 29.664 2.527 6.902 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 30.138 3.502 8.208 1.00 3.39 H new ATOM 508 N THR A 34 27.235 -1.648 6.165 1.00 0.61 N ATOM 509 CA THR A 34 25.800 -1.726 6.371 1.00 0.54 C ATOM 510 C THR A 34 25.265 -3.123 6.090 1.00 0.51 C ATOM 511 O THR A 34 24.344 -3.584 6.761 1.00 0.49 O ATOM 512 CB THR A 34 25.048 -0.705 5.503 1.00 0.53 C ATOM 513 OG1 THR A 34 25.678 -0.586 4.223 1.00 0.65 O ATOM 514 CG2 THR A 34 25.007 0.649 6.191 1.00 0.56 C ATOM 0 H THR A 34 27.519 -1.234 5.277 1.00 0.61 H new ATOM 0 HA THR A 34 25.626 -1.491 7.421 1.00 0.54 H new ATOM 0 HB THR A 34 24.026 -1.056 5.363 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.190 0.066 3.678 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.471 1.360 5.563 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.497 0.555 7.149 1.00 0.56 H new ATOM 0 HG23 THR A 34 26.024 1.005 6.355 1.00 0.56 H new ATOM 522 N ARG A 35 25.858 -3.808 5.122 1.00 0.51 N ATOM 523 CA ARG A 35 25.422 -5.151 4.769 1.00 0.51 C ATOM 524 C ARG A 35 25.594 -6.096 5.954 1.00 0.52 C ATOM 525 O ARG A 35 24.754 -6.958 6.200 1.00 0.52 O ATOM 526 CB ARG A 35 26.205 -5.662 3.558 1.00 0.53 C ATOM 527 CG ARG A 35 25.675 -6.963 2.981 1.00 0.70 C ATOM 528 CD ARG A 35 26.289 -7.246 1.622 1.00 0.79 C ATOM 529 NE ARG A 35 27.748 -7.296 1.680 1.00 1.64 N ATOM 530 CZ ARG A 35 28.545 -6.994 0.656 1.00 2.19 C ATOM 531 NH1 ARG A 35 28.030 -6.663 -0.521 1.00 2.09 N ATOM 532 NH2 ARG A 35 29.863 -7.034 0.808 1.00 3.31 N ATOM 0 H ARG A 35 26.640 -3.457 4.569 1.00 0.51 H new ATOM 0 HA ARG A 35 24.364 -5.116 4.508 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.189 -4.899 2.780 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.247 -5.802 3.845 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.897 -7.784 3.662 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.590 -6.909 2.890 1.00 0.70 H new ATOM 0 HD2 ARG A 35 25.909 -8.194 1.243 1.00 0.79 H new ATOM 0 HD3 ARG A 35 25.980 -6.474 0.917 1.00 0.79 H new ATOM 0 HE ARG A 35 28.183 -7.579 2.558 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.018 -6.639 -0.646 1.00 2.09 H new ATOM 0 HH12 ARG A 35 28.646 -6.433 -1.301 1.00 2.09 H new ATOM 0 HH21 ARG A 35 30.265 -7.296 1.708 1.00 3.31 H new ATOM 0 HH22 ARG A 35 30.474 -6.803 0.025 1.00 3.31 H new ATOM 546 N GLU A 36 26.664 -5.892 6.710 1.00 0.56 N ATOM 547 CA GLU A 36 26.955 -6.724 7.871 1.00 0.58 C ATOM 548 C GLU A 36 26.024 -6.432 9.048 1.00 0.54 C ATOM 549 O GLU A 36 25.782 -7.304 9.879 1.00 0.61 O ATOM 550 CB GLU A 36 28.404 -6.532 8.309 1.00 0.67 C ATOM 551 CG GLU A 36 29.408 -6.974 7.264 1.00 0.70 C ATOM 552 CD GLU A 36 30.844 -6.831 7.736 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.344 -7.753 8.414 1.00 1.39 O ATOM 554 OE2 GLU A 36 31.477 -5.796 7.435 1.00 1.45 O ATOM 0 H GLU A 36 27.348 -5.155 6.540 1.00 0.56 H new ATOM 0 HA GLU A 36 26.791 -7.758 7.568 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.570 -5.480 8.541 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.576 -7.092 9.228 1.00 0.67 H new ATOM 0 HG2 GLU A 36 29.218 -8.014 7.000 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.267 -6.385 6.358 1.00 0.70 H new ATOM 561 N LYS A 37 25.487 -5.219 9.111 1.00 0.49 N ATOM 562 CA LYS A 37 24.609 -4.851 10.219 1.00 0.47 C ATOM 563 C LYS A 37 23.147 -5.135 9.886 1.00 0.39 C ATOM 564 O LYS A 37 22.340 -5.408 10.774 1.00 0.38 O ATOM 565 CB LYS A 37 24.812 -3.381 10.614 1.00 0.52 C ATOM 566 CG LYS A 37 24.365 -2.368 9.572 1.00 0.86 C ATOM 567 CD LYS A 37 24.585 -0.937 10.046 1.00 0.84 C ATOM 568 CE LYS A 37 26.047 -0.672 10.375 1.00 0.73 C ATOM 569 NZ LYS A 37 26.256 0.681 10.968 1.00 0.98 N ATOM 0 H LYS A 37 25.639 -4.483 8.421 1.00 0.49 H new ATOM 0 HA LYS A 37 24.877 -5.469 11.076 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.269 -3.191 11.540 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.869 -3.220 10.825 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.915 -2.533 8.645 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.309 -2.519 9.348 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.254 -0.243 9.274 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.973 -0.748 10.928 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.404 -1.431 11.071 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.644 -0.765 9.468 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.266 0.817 11.176 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.940 1.408 10.294 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 25.708 0.763 11.848 1.00 0.98 H new ATOM 583 N VAL A 38 22.813 -5.088 8.604 1.00 0.36 N ATOM 584 CA VAL A 38 21.446 -5.353 8.168 1.00 0.31 C ATOM 585 C VAL A 38 21.122 -6.834 8.298 1.00 0.32 C ATOM 586 O VAL A 38 20.054 -7.208 8.791 1.00 0.31 O ATOM 587 CB VAL A 38 21.212 -4.903 6.711 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.843 -5.352 6.222 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.344 -3.398 6.604 1.00 0.30 C ATOM 0 H VAL A 38 23.465 -4.870 7.850 1.00 0.36 H new ATOM 0 HA VAL A 38 20.785 -4.776 8.815 1.00 0.31 H new ATOM 0 HB VAL A 38 21.968 -5.369 6.079 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.699 -5.024 5.193 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.778 -6.439 6.269 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.070 -4.915 6.854 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.177 -3.091 5.572 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.605 -2.921 7.249 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.345 -3.098 6.915 1.00 0.30 H new ATOM 599 N GLU A 39 22.058 -7.678 7.883 1.00 0.36 N ATOM 600 CA GLU A 39 21.867 -9.117 7.965 1.00 0.39 C ATOM 601 C GLU A 39 21.874 -9.567 9.417 1.00 0.41 C ATOM 602 O GLU A 39 21.323 -10.612 9.763 1.00 0.43 O ATOM 603 CB GLU A 39 22.943 -9.853 7.171 1.00 0.44 C ATOM 604 CG GLU A 39 22.883 -9.568 5.680 1.00 0.55 C ATOM 605 CD GLU A 39 23.540 -10.652 4.857 1.00 0.82 C ATOM 606 OE1 GLU A 39 24.778 -10.617 4.696 1.00 1.59 O ATOM 607 OE2 GLU A 39 22.817 -11.538 4.353 1.00 1.44 O ATOM 0 H GLU A 39 22.953 -7.391 7.488 1.00 0.36 H new ATOM 0 HA GLU A 39 20.898 -9.361 7.529 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.924 -9.568 7.550 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.837 -10.925 7.334 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.842 -9.465 5.375 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.371 -8.615 5.476 1.00 0.55 H new ATOM 614 N ALA A 40 22.502 -8.761 10.264 1.00 0.43 N ATOM 615 CA ALA A 40 22.573 -9.046 11.684 1.00 0.46 C ATOM 616 C ALA A 40 21.262 -8.668 12.365 1.00 0.41 C ATOM 617 O ALA A 40 20.750 -9.405 13.205 1.00 0.43 O ATOM 618 CB ALA A 40 23.731 -8.286 12.312 1.00 0.52 C ATOM 0 H ALA A 40 22.971 -7.899 9.985 1.00 0.43 H new ATOM 0 HA ALA A 40 22.740 -10.115 11.820 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.776 -8.507 13.378 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.665 -8.590 11.839 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.584 -7.215 12.169 1.00 0.52 H new ATOM 624 N ALA A 41 20.711 -7.524 11.972 1.00 0.37 N ATOM 625 CA ALA A 41 19.465 -7.031 12.548 1.00 0.34 C ATOM 626 C ALA A 41 18.293 -7.930 12.188 1.00 0.31 C ATOM 627 O ALA A 41 17.436 -8.218 13.024 1.00 0.34 O ATOM 628 CB ALA A 41 19.201 -5.609 12.086 1.00 0.31 C ATOM 0 H ALA A 41 21.110 -6.919 11.254 1.00 0.37 H new ATOM 0 HA ALA A 41 19.570 -7.039 13.633 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.268 -5.252 12.522 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.021 -4.965 12.404 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.124 -5.588 10.999 1.00 0.31 H new ATOM 634 N MET A 42 18.271 -8.390 10.945 1.00 0.28 N ATOM 635 CA MET A 42 17.202 -9.259 10.471 1.00 0.29 C ATOM 636 C MET A 42 17.313 -10.653 11.083 1.00 0.35 C ATOM 637 O MET A 42 16.395 -11.465 10.972 1.00 0.39 O ATOM 638 CB MET A 42 17.217 -9.341 8.940 1.00 0.27 C ATOM 639 CG MET A 42 18.390 -10.126 8.369 1.00 0.33 C ATOM 640 SD MET A 42 18.223 -10.451 6.607 1.00 0.35 S ATOM 641 CE MET A 42 18.661 -8.856 5.920 1.00 0.33 C ATOM 0 H MET A 42 18.982 -8.176 10.246 1.00 0.28 H new ATOM 0 HA MET A 42 16.252 -8.828 10.788 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.288 -9.801 8.603 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.238 -8.330 8.533 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.312 -9.572 8.545 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.481 -11.073 8.901 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.164 -8.998 4.963 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.758 -8.264 5.771 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.328 -8.335 6.607 1.00 0.33 H new ATOM 651 N ALA A 43 18.433 -10.912 11.744 1.00 0.40 N ATOM 652 CA ALA A 43 18.665 -12.200 12.382 1.00 0.47 C ATOM 653 C ALA A 43 18.250 -12.142 13.844 1.00 0.48 C ATOM 654 O ALA A 43 17.981 -13.167 14.470 1.00 0.53 O ATOM 655 CB ALA A 43 20.128 -12.604 12.260 1.00 0.52 C ATOM 0 H ALA A 43 19.197 -10.245 11.852 1.00 0.40 H new ATOM 0 HA ALA A 43 18.060 -12.952 11.875 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.280 -13.569 12.743 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.398 -12.679 11.207 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.754 -11.854 12.743 1.00 0.52 H new ATOM 661 N GLU A 44 18.192 -10.928 14.376 1.00 0.46 N ATOM 662 CA GLU A 44 17.805 -10.709 15.763 1.00 0.46 C ATOM 663 C GLU A 44 16.298 -10.730 15.915 1.00 0.45 C ATOM 664 O GLU A 44 15.738 -11.435 16.756 1.00 0.48 O ATOM 665 CB GLU A 44 18.323 -9.359 16.235 1.00 0.45 C ATOM 666 CG GLU A 44 19.830 -9.252 16.231 1.00 0.51 C ATOM 667 CD GLU A 44 20.474 -10.166 17.248 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.589 -9.753 18.419 1.00 1.36 O ATOM 669 OE2 GLU A 44 20.859 -11.297 16.889 1.00 1.21 O ATOM 0 H GLU A 44 18.410 -10.074 13.863 1.00 0.46 H new ATOM 0 HA GLU A 44 18.236 -11.511 16.363 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.910 -8.578 15.596 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.957 -9.172 17.244 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.206 -9.496 15.237 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.119 -8.222 16.438 1.00 0.51 H new ATOM 676 N LEU A 45 15.657 -9.945 15.079 1.00 0.42 N ATOM 677 CA LEU A 45 14.206 -9.810 15.095 1.00 0.44 C ATOM 678 C LEU A 45 13.527 -10.941 14.325 1.00 0.48 C ATOM 679 O LEU A 45 12.304 -11.085 14.377 1.00 0.52 O ATOM 680 CB LEU A 45 13.814 -8.461 14.494 1.00 0.49 C ATOM 681 CG LEU A 45 14.720 -7.292 14.896 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.835 -6.278 13.773 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.196 -6.631 16.151 1.00 1.88 C ATOM 0 H LEU A 45 16.120 -9.380 14.367 1.00 0.42 H new ATOM 0 HA LEU A 45 13.870 -9.867 16.130 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.817 -8.548 13.407 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.791 -8.229 14.792 1.00 0.49 H new ATOM 0 HG LEU A 45 15.716 -7.688 15.095 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.484 -5.460 14.086 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.258 -6.759 12.891 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.846 -5.886 13.534 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.849 -5.802 16.426 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.189 -6.255 15.971 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.172 -7.358 16.963 1.00 1.88 H new ATOM 695 N ASN A 46 14.334 -11.742 13.632 1.00 0.49 N ATOM 696 CA ASN A 46 13.835 -12.857 12.827 1.00 0.54 C ATOM 697 C ASN A 46 12.972 -12.313 11.696 1.00 0.51 C ATOM 698 O ASN A 46 11.777 -12.591 11.604 1.00 0.60 O ATOM 699 CB ASN A 46 13.044 -13.853 13.687 1.00 0.62 C ATOM 700 CG ASN A 46 12.871 -15.208 13.018 1.00 1.22 C ATOM 701 OD1 ASN A 46 13.594 -16.161 13.310 1.00 2.01 O ATOM 702 ND2 ASN A 46 11.924 -15.295 12.100 1.00 1.90 N ATOM 0 H ASN A 46 15.348 -11.638 13.612 1.00 0.49 H new ATOM 0 HA ASN A 46 14.683 -13.396 12.406 1.00 0.54 H new ATOM 0 HB2 ASN A 46 13.555 -13.987 14.641 1.00 0.62 H new ATOM 0 HB3 ASN A 46 12.062 -13.435 13.907 1.00 0.62 H new ATOM 0 HD21 ASN A 46 11.772 -16.174 11.606 1.00 1.90 H new ATOM 0 HD22 ASN A 46 11.345 -14.483 11.886 1.00 1.90 H new ATOM 709 N TYR A 47 13.602 -11.522 10.843 1.00 0.42 N ATOM 710 CA TYR A 47 12.934 -10.893 9.718 1.00 0.39 C ATOM 711 C TYR A 47 12.687 -11.881 8.584 1.00 0.49 C ATOM 712 O TYR A 47 13.586 -12.612 8.167 1.00 0.58 O ATOM 713 CB TYR A 47 13.779 -9.712 9.238 1.00 0.27 C ATOM 714 CG TYR A 47 13.403 -9.160 7.883 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.121 -8.696 7.629 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.344 -9.083 6.868 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.786 -8.172 6.400 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.017 -8.562 5.633 1.00 1.08 C ATOM 719 CZ TYR A 47 12.736 -8.107 5.404 1.00 0.23 C ATOM 720 OH TYR A 47 12.405 -7.576 4.181 1.00 0.24 O ATOM 0 H TYR A 47 14.595 -11.298 10.913 1.00 0.42 H new ATOM 0 HA TYR A 47 11.956 -10.537 10.043 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.704 -8.910 9.973 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.824 -10.021 9.209 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.374 -8.746 8.407 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.349 -9.436 7.047 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.784 -7.814 6.218 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.760 -8.511 4.851 1.00 1.08 H new ATOM 0 HH TYR A 47 13.187 -7.602 3.591 1.00 0.24 H new ATOM 730 N ILE A 48 11.457 -11.900 8.099 1.00 0.56 N ATOM 731 CA ILE A 48 11.075 -12.774 7.006 1.00 0.66 C ATOM 732 C ILE A 48 10.641 -11.939 5.806 1.00 0.52 C ATOM 733 O ILE A 48 9.573 -11.321 5.834 1.00 0.55 O ATOM 734 CB ILE A 48 9.923 -13.723 7.396 1.00 0.91 C ATOM 735 CG1 ILE A 48 10.258 -14.477 8.679 1.00 1.16 C ATOM 736 CG2 ILE A 48 9.633 -14.708 6.274 1.00 0.98 C ATOM 737 CD1 ILE A 48 9.451 -14.017 9.870 1.00 1.01 C ATOM 0 H ILE A 48 10.700 -11.313 8.450 1.00 0.56 H new ATOM 0 HA ILE A 48 11.946 -13.380 6.757 1.00 0.66 H new ATOM 0 HB ILE A 48 9.032 -13.118 7.568 1.00 0.91 H new ATOM 0 HG12 ILE A 48 10.086 -15.542 8.522 1.00 1.16 H new ATOM 0 HG13 ILE A 48 11.319 -14.354 8.898 1.00 1.16 H new ATOM 0 HG21 ILE A 48 8.817 -15.367 6.571 1.00 0.98 H new ATOM 0 HG22 ILE A 48 9.349 -14.162 5.375 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.524 -15.302 6.072 1.00 0.98 H new ATOM 0 HD11 ILE A 48 9.739 -14.594 10.749 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.641 -12.959 10.052 1.00 1.01 H new ATOM 0 HD13 ILE A 48 8.390 -14.165 9.670 1.00 1.01 H new ATOM 749 N PRO A 49 11.476 -11.887 4.752 1.00 0.44 N ATOM 750 CA PRO A 49 11.173 -11.125 3.532 1.00 0.35 C ATOM 751 C PRO A 49 9.813 -11.491 2.945 1.00 0.39 C ATOM 752 O PRO A 49 9.558 -12.653 2.621 1.00 0.49 O ATOM 753 CB PRO A 49 12.291 -11.525 2.572 1.00 0.40 C ATOM 754 CG PRO A 49 13.416 -11.940 3.456 1.00 0.51 C ATOM 755 CD PRO A 49 12.782 -12.561 4.671 1.00 0.55 C ATOM 0 HA PRO A 49 11.124 -10.053 3.725 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.979 -12.340 1.918 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.578 -10.693 1.929 1.00 0.40 H new ATOM 0 HG2 PRO A 49 14.068 -12.652 2.949 1.00 0.51 H new ATOM 0 HG3 PRO A 49 14.032 -11.084 3.732 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.672 -13.640 4.561 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.379 -12.392 5.567 1.00 0.55 H new ATOM 763 N ASN A 50 8.945 -10.499 2.818 1.00 0.40 N ATOM 764 CA ASN A 50 7.607 -10.715 2.286 1.00 0.45 C ATOM 765 C ASN A 50 7.643 -10.927 0.784 1.00 0.49 C ATOM 766 O ASN A 50 7.969 -10.016 0.022 1.00 0.54 O ATOM 767 CB ASN A 50 6.695 -9.537 2.631 1.00 0.45 C ATOM 768 CG ASN A 50 6.201 -9.596 4.061 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.277 -10.345 4.382 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.803 -8.800 4.926 1.00 0.46 N ATOM 0 H ASN A 50 9.144 -9.533 3.077 1.00 0.40 H new ATOM 0 HA ASN A 50 7.206 -11.617 2.748 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.235 -8.603 2.473 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.841 -9.530 1.953 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.506 -8.790 5.902 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.564 -8.195 4.618 1.00 0.46 H new ATOM 777 N ARG A 51 7.292 -12.131 0.359 1.00 0.51 N ATOM 778 CA ARG A 51 7.297 -12.474 -1.058 1.00 0.57 C ATOM 779 C ARG A 51 6.083 -11.904 -1.777 1.00 0.56 C ATOM 780 O ARG A 51 6.150 -11.608 -2.966 1.00 0.59 O ATOM 781 CB ARG A 51 7.351 -13.991 -1.240 1.00 0.63 C ATOM 782 CG ARG A 51 8.644 -14.612 -0.736 1.00 1.42 C ATOM 783 CD ARG A 51 9.863 -13.912 -1.312 1.00 2.25 C ATOM 784 NE ARG A 51 11.091 -14.295 -0.622 1.00 3.08 N ATOM 785 CZ ARG A 51 12.308 -14.138 -1.131 1.00 4.17 C ATOM 786 NH1 ARG A 51 12.461 -13.586 -2.328 1.00 4.66 N ATOM 787 NH2 ARG A 51 13.371 -14.520 -0.436 1.00 5.04 N ATOM 0 H ARG A 51 6.999 -12.889 0.975 1.00 0.51 H new ATOM 0 HA ARG A 51 8.188 -12.029 -1.501 1.00 0.57 H new ATOM 0 HB2 ARG A 51 6.510 -14.443 -0.714 1.00 0.63 H new ATOM 0 HB3 ARG A 51 7.230 -14.228 -2.297 1.00 0.63 H new ATOM 0 HG2 ARG A 51 8.674 -14.559 0.352 1.00 1.42 H new ATOM 0 HG3 ARG A 51 8.670 -15.668 -1.004 1.00 1.42 H new ATOM 0 HD2 ARG A 51 9.952 -14.153 -2.371 1.00 2.25 H new ATOM 0 HD3 ARG A 51 9.729 -12.833 -1.241 1.00 2.25 H new ATOM 0 HE ARG A 51 11.010 -14.708 0.307 1.00 3.08 H new ATOM 0 HH11 ARG A 51 11.644 -13.282 -2.858 1.00 4.66 H new ATOM 0 HH12 ARG A 51 13.396 -13.466 -2.718 1.00 4.66 H new ATOM 0 HH21 ARG A 51 13.254 -14.934 0.489 1.00 5.04 H new ATOM 0 HH22 ARG A 51 14.306 -14.400 -0.826 1.00 5.04 H new ATOM 801 N CYS A 52 4.985 -11.721 -1.057 1.00 0.55 N ATOM 802 CA CYS A 52 3.778 -11.185 -1.657 1.00 0.55 C ATOM 803 C CYS A 52 3.967 -9.708 -1.946 1.00 0.52 C ATOM 804 O CYS A 52 3.559 -9.202 -2.991 1.00 0.57 O ATOM 805 CB CYS A 52 2.585 -11.407 -0.735 1.00 0.56 C ATOM 806 SG CYS A 52 1.466 -12.736 -1.284 1.00 0.83 S ATOM 0 H CYS A 52 4.908 -11.935 -0.063 1.00 0.55 H new ATOM 0 HA CYS A 52 3.581 -11.704 -2.595 1.00 0.55 H new ATOM 0 HB2 CYS A 52 2.950 -11.642 0.265 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.020 -10.478 -0.658 1.00 0.56 H new ATOM 811 N ALA A 53 4.622 -9.026 -1.015 1.00 0.45 N ATOM 812 CA ALA A 53 4.910 -7.614 -1.166 1.00 0.43 C ATOM 813 C ALA A 53 5.913 -7.418 -2.293 1.00 0.43 C ATOM 814 O ALA A 53 5.859 -6.437 -3.025 1.00 0.44 O ATOM 815 CB ALA A 53 5.423 -7.045 0.130 1.00 0.41 C ATOM 0 H ALA A 53 4.963 -9.434 -0.145 1.00 0.45 H new ATOM 0 HA ALA A 53 3.995 -7.080 -1.422 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.635 -5.984 0.003 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.670 -7.174 0.907 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.336 -7.565 0.420 1.00 0.41 H new ATOM 821 N GLN A 54 6.815 -8.388 -2.432 1.00 0.45 N ATOM 822 CA GLN A 54 7.823 -8.362 -3.483 1.00 0.48 C ATOM 823 C GLN A 54 7.154 -8.600 -4.835 1.00 0.51 C ATOM 824 O GLN A 54 7.516 -7.993 -5.846 1.00 0.55 O ATOM 825 CB GLN A 54 8.894 -9.431 -3.209 1.00 0.50 C ATOM 826 CG GLN A 54 9.864 -9.652 -4.358 1.00 0.74 C ATOM 827 CD GLN A 54 10.979 -10.614 -3.994 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.817 -11.832 -4.083 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.120 -10.075 -3.591 1.00 1.07 N ATOM 0 H GLN A 54 6.866 -9.206 -1.824 1.00 0.45 H new ATOM 0 HA GLN A 54 8.310 -7.387 -3.499 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.459 -9.144 -2.322 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.399 -10.375 -2.980 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.320 -10.039 -5.220 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.295 -8.696 -4.656 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.212 -9.061 -3.531 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.907 -10.674 -3.340 1.00 1.07 H new ATOM 838 N GLN A 55 6.142 -9.465 -4.827 1.00 0.52 N ATOM 839 CA GLN A 55 5.388 -9.794 -6.032 1.00 0.57 C ATOM 840 C GLN A 55 4.374 -8.701 -6.348 1.00 0.58 C ATOM 841 O GLN A 55 3.546 -8.840 -7.250 1.00 0.74 O ATOM 842 CB GLN A 55 4.691 -11.145 -5.882 1.00 0.62 C ATOM 843 CG GLN A 55 5.646 -12.323 -5.970 1.00 0.65 C ATOM 844 CD GLN A 55 5.067 -13.611 -5.421 1.00 1.22 C ATOM 845 OE1 GLN A 55 3.866 -13.866 -5.515 1.00 1.83 O ATOM 846 NE2 GLN A 55 5.921 -14.429 -4.826 1.00 2.01 N ATOM 0 H GLN A 55 5.824 -9.954 -3.990 1.00 0.52 H new ATOM 0 HA GLN A 55 6.090 -9.862 -6.863 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.174 -11.175 -4.923 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.931 -11.243 -6.657 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.928 -12.475 -7.012 1.00 0.65 H new ATOM 0 HG3 GLN A 55 6.559 -12.082 -5.425 1.00 0.65 H new ATOM 0 HE21 GLN A 55 6.909 -14.181 -4.769 1.00 2.01 H new ATOM 0 HE22 GLN A 55 5.591 -15.307 -4.425 1.00 2.01 H new ATOM 855 N LEU A 56 4.432 -7.632 -5.572 1.00 0.51 N ATOM 856 CA LEU A 56 3.572 -6.482 -5.765 1.00 0.50 C ATOM 857 C LEU A 56 4.418 -5.263 -6.116 1.00 0.47 C ATOM 858 O LEU A 56 4.135 -4.543 -7.073 1.00 0.48 O ATOM 859 CB LEU A 56 2.777 -6.193 -4.492 1.00 0.49 C ATOM 860 CG LEU A 56 1.655 -5.168 -4.651 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.502 -5.777 -5.428 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.174 -4.677 -3.300 1.00 0.48 C ATOM 0 H LEU A 56 5.079 -7.539 -4.789 1.00 0.51 H new ATOM 0 HA LEU A 56 2.878 -6.697 -6.578 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.347 -7.127 -4.130 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.465 -5.840 -3.724 1.00 0.49 H new ATOM 0 HG LEU A 56 2.046 -4.314 -5.203 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.293 -5.040 -5.537 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.850 -6.084 -6.414 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.120 -6.646 -4.892 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.376 -3.949 -3.441 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.798 -5.519 -2.719 1.00 0.48 H new ATOM 0 HD23 LEU A 56 2.002 -4.209 -2.767 1.00 0.48 H new ATOM 874 N ALA A 57 5.464 -5.057 -5.324 1.00 0.45 N ATOM 875 CA ALA A 57 6.374 -3.933 -5.494 1.00 0.44 C ATOM 876 C ALA A 57 7.162 -4.015 -6.801 1.00 0.46 C ATOM 877 O ALA A 57 7.201 -3.054 -7.570 1.00 0.49 O ATOM 878 CB ALA A 57 7.331 -3.863 -4.307 1.00 0.44 C ATOM 0 H ALA A 57 5.705 -5.668 -4.543 1.00 0.45 H new ATOM 0 HA ALA A 57 5.772 -3.026 -5.540 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.011 -3.021 -4.437 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.761 -3.731 -3.387 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.906 -4.787 -4.248 1.00 0.44 H new ATOM 884 N GLY A 58 7.791 -5.157 -7.056 1.00 0.53 N ATOM 885 CA GLY A 58 8.576 -5.307 -8.268 1.00 0.61 C ATOM 886 C GLY A 58 7.995 -6.320 -9.225 1.00 0.94 C ATOM 887 O GLY A 58 8.062 -6.142 -10.441 1.00 1.14 O ATOM 0 H GLY A 58 7.772 -5.977 -6.450 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.649 -4.342 -8.769 1.00 0.61 H new ATOM 0 HA3 GLY A 58 9.590 -5.606 -8.003 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.044 -13.458 -7.699 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.052 -12.415 -7.749 1.00 0.66 C ATOM 1019 C VAL B 4 -9.814 -11.399 -6.649 1.00 0.59 C ATOM 1020 O VAL B 4 -9.563 -11.750 -5.500 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.472 -12.997 -7.625 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.526 -11.897 -7.603 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.736 -13.963 -8.757 1.00 0.73 C ATOM 0 HA VAL B 4 -9.970 -11.923 -8.718 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.537 -13.533 -6.678 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.516 -12.344 -7.515 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.348 -11.239 -6.753 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.469 -11.320 -8.526 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.743 -14.370 -8.661 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.645 -13.441 -9.710 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.011 -14.776 -8.718 1.00 0.73 H new ATOM 1033 N THR B 5 -9.897 -10.141 -7.013 1.00 0.50 N ATOM 1034 CA THR B 5 -9.676 -9.062 -6.084 1.00 0.45 C ATOM 1035 C THR B 5 -11.000 -8.506 -5.590 1.00 0.40 C ATOM 1036 O THR B 5 -12.066 -8.940 -6.029 1.00 0.39 O ATOM 1037 CB THR B 5 -8.875 -7.947 -6.770 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.703 -7.299 -7.742 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.650 -8.521 -7.462 1.00 0.48 C ATOM 0 H THR B 5 -10.120 -9.838 -7.961 1.00 0.50 H new ATOM 0 HA THR B 5 -9.116 -9.445 -5.231 1.00 0.45 H new ATOM 0 HB THR B 5 -8.552 -7.231 -6.015 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.810 -7.883 -8.522 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.094 -7.717 -7.943 1.00 0.48 H new ATOM 0 HG22 THR B 5 -7.014 -9.013 -6.726 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.963 -9.246 -8.214 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.948 -7.533 -4.689 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.166 -6.931 -4.187 1.00 0.36 C ATOM 1049 C LEU B 6 -12.674 -5.955 -5.242 1.00 0.32 C ATOM 1050 O LEU B 6 -13.814 -5.487 -5.206 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.871 -6.264 -2.842 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.745 -5.089 -2.435 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.998 -5.117 -0.941 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.076 -3.790 -2.818 1.00 0.50 C ATOM 0 H LEU B 6 -10.086 -7.152 -4.298 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.948 -7.669 -4.009 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.947 -7.025 -2.065 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.835 -5.924 -2.855 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.699 -5.166 -2.956 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.625 -4.270 -0.662 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.503 -6.046 -0.675 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.048 -5.055 -0.410 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.709 -2.954 -2.523 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.114 -3.713 -2.312 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.921 -3.765 -3.897 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.797 -5.707 -6.210 1.00 0.33 N ATOM 1067 CA TYR B 7 -12.072 -4.830 -7.327 1.00 0.32 C ATOM 1068 C TYR B 7 -13.000 -5.521 -8.320 1.00 0.32 C ATOM 1069 O TYR B 7 -13.922 -4.905 -8.857 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.752 -4.461 -8.011 1.00 0.36 C ATOM 1071 CG TYR B 7 -10.022 -3.313 -7.357 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.290 -3.468 -6.172 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -10.073 -2.051 -7.931 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.650 -2.394 -5.607 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.426 -0.979 -7.361 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.717 -1.154 -6.200 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.068 -0.085 -5.626 1.00 0.49 O ATOM 0 H TYR B 7 -10.864 -6.119 -6.234 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.562 -3.925 -6.967 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -10.101 -5.335 -8.018 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.953 -4.205 -9.051 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.229 -4.438 -5.701 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.632 -1.907 -8.844 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -8.091 -2.522 -4.692 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.476 -0.005 -7.825 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.587 0.240 -4.861 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.749 -6.810 -8.542 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.555 -7.609 -9.465 1.00 0.35 C ATOM 1089 C ASP B 8 -14.981 -7.735 -8.951 1.00 0.31 C ATOM 1090 O ASP B 8 -15.942 -7.658 -9.717 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.947 -9.004 -9.642 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.584 -8.963 -10.303 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.521 -8.818 -11.545 1.00 1.07 O ATOM 1094 OD2 ASP B 8 -10.567 -9.073 -9.583 1.00 1.31 O ATOM 0 H ASP B 8 -11.991 -7.325 -8.094 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.567 -7.103 -10.430 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.861 -9.485 -8.668 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.620 -9.617 -10.242 1.00 0.41 H new ATOM 1099 N VAL B 9 -15.100 -7.917 -7.642 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.396 -8.049 -6.990 1.00 0.25 C ATOM 1101 C VAL B 9 -17.238 -6.791 -7.203 1.00 0.25 C ATOM 1102 O VAL B 9 -18.444 -6.862 -7.452 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.211 -8.310 -5.480 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.549 -8.506 -4.788 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.324 -9.520 -5.257 1.00 0.28 C ATOM 0 H VAL B 9 -14.305 -7.977 -7.005 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.918 -8.896 -7.435 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.730 -7.434 -5.045 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.386 -8.688 -3.726 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.158 -7.611 -4.914 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -18.064 -9.360 -5.227 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.203 -9.691 -4.187 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.782 -10.397 -5.715 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.348 -9.344 -5.709 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.579 -5.646 -7.130 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.234 -4.359 -7.306 1.00 0.28 C ATOM 1117 C ALA B 10 -17.648 -4.137 -8.754 1.00 0.33 C ATOM 1118 O ALA B 10 -18.768 -3.702 -9.032 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.303 -3.247 -6.858 1.00 0.31 C ATOM 0 H ALA B 10 -15.577 -5.582 -6.948 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.137 -4.352 -6.696 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.796 -2.284 -6.991 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -16.052 -3.384 -5.806 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.391 -3.273 -7.455 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.733 -4.439 -9.667 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.970 -4.274 -11.097 1.00 0.44 C ATOM 1127 C GLU B 11 -18.176 -5.090 -11.556 1.00 0.47 C ATOM 1128 O GLU B 11 -19.005 -4.610 -12.332 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.719 -4.683 -11.872 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.781 -4.346 -13.350 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.452 -4.553 -14.040 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -14.172 -5.684 -14.480 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.673 -3.582 -14.132 1.00 2.34 O ATOM 0 H GLU B 11 -15.808 -4.804 -9.439 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.190 -3.225 -11.294 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.852 -4.190 -11.432 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.567 -5.756 -11.759 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -16.538 -4.966 -13.831 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -16.094 -3.309 -13.471 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.273 -6.318 -11.065 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.379 -7.201 -11.417 1.00 0.49 C ATOM 1142 C TYR B 12 -20.698 -6.673 -10.868 1.00 0.49 C ATOM 1143 O TYR B 12 -21.722 -6.693 -11.550 1.00 0.58 O ATOM 1144 CB TYR B 12 -19.117 -8.595 -10.863 1.00 0.49 C ATOM 1145 CG TYR B 12 -20.140 -9.620 -11.280 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -20.107 -10.173 -12.548 1.00 1.15 C ATOM 1147 CD2 TYR B 12 -21.135 -10.034 -10.406 1.00 1.48 C ATOM 1148 CE1 TYR B 12 -21.037 -11.109 -12.938 1.00 1.18 C ATOM 1149 CE2 TYR B 12 -22.069 -10.971 -10.788 1.00 1.58 C ATOM 1150 CZ TYR B 12 -22.016 -11.507 -12.055 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.945 -12.444 -12.439 1.00 0.94 O ATOM 0 H TYR B 12 -17.597 -6.727 -10.420 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.452 -7.242 -12.504 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -18.131 -8.926 -11.190 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -19.091 -8.544 -9.775 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -19.339 -9.865 -13.242 1.00 1.15 H new ATOM 0 HD2 TYR B 12 -21.178 -9.615 -9.411 1.00 1.48 H new ATOM 0 HE1 TYR B 12 -20.999 -11.530 -13.932 1.00 1.18 H new ATOM 0 HE2 TYR B 12 -22.839 -11.284 -10.098 1.00 1.58 H new ATOM 0 HH TYR B 12 -23.564 -12.614 -11.698 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.660 -6.185 -9.637 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.850 -5.663 -8.985 1.00 0.48 C ATOM 1163 C ALA B 13 -22.248 -4.294 -9.540 1.00 0.52 C ATOM 1164 O ALA B 13 -23.350 -3.810 -9.286 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.618 -5.590 -7.485 1.00 0.43 C ATOM 0 H ALA B 13 -19.814 -6.140 -9.068 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.677 -6.342 -9.190 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.511 -5.199 -6.997 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.403 -6.587 -7.101 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.774 -4.932 -7.279 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.347 -3.673 -10.296 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.633 -2.371 -10.871 1.00 0.55 C ATOM 1173 C GLY B 14 -21.505 -1.255 -9.860 1.00 0.52 C ATOM 1174 O GLY B 14 -22.043 -0.164 -10.050 1.00 0.59 O ATOM 0 H GLY B 14 -20.425 -4.048 -10.520 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.951 -2.186 -11.701 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.643 -2.372 -11.282 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.806 -1.532 -8.776 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.605 -0.551 -7.732 1.00 0.46 C ATOM 1180 C VAL B 15 -19.133 -0.173 -7.636 1.00 0.43 C ATOM 1181 O VAL B 15 -18.289 -0.759 -8.319 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.078 -1.085 -6.364 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.576 -1.349 -6.363 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.322 -2.352 -5.990 1.00 0.36 C ATOM 0 H VAL B 15 -20.366 -2.435 -8.597 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.195 0.328 -7.990 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.867 -0.318 -5.619 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.879 -1.724 -5.385 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.109 -0.422 -6.577 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.815 -2.090 -7.126 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.671 -2.712 -5.022 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.498 -3.117 -6.746 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.255 -2.136 -5.934 1.00 0.36 H new ATOM 1194 N SER B 16 -18.826 0.816 -6.809 1.00 0.45 N ATOM 1195 CA SER B 16 -17.447 1.224 -6.616 1.00 0.46 C ATOM 1196 C SER B 16 -16.729 0.154 -5.802 1.00 0.41 C ATOM 1197 O SER B 16 -17.363 -0.588 -5.048 1.00 0.39 O ATOM 1198 CB SER B 16 -17.373 2.580 -5.905 1.00 0.50 C ATOM 1199 OG SER B 16 -17.829 2.498 -4.560 1.00 0.64 O ATOM 0 H SER B 16 -19.508 1.345 -6.266 1.00 0.45 H new ATOM 0 HA SER B 16 -16.963 1.335 -7.587 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.345 2.942 -5.919 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.974 3.309 -6.449 1.00 0.50 H new ATOM 0 HG SER B 16 -17.766 3.381 -4.139 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.412 0.078 -5.933 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.644 -0.921 -5.209 1.00 0.41 C ATOM 1207 C TYR B 17 -14.692 -0.628 -3.713 1.00 0.41 C ATOM 1208 O TYR B 17 -14.455 -1.502 -2.878 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.203 -0.991 -5.751 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.146 -0.325 -4.892 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -11.957 1.050 -4.916 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.327 -1.082 -4.070 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -10.986 1.644 -4.139 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.352 -0.504 -3.287 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.186 0.869 -3.330 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.228 1.474 -2.561 1.00 1.42 O ATOM 0 H TYR B 17 -14.858 0.692 -6.530 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.087 -1.905 -5.364 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.933 -2.039 -5.880 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.183 -0.533 -6.740 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.579 1.662 -5.552 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.456 -2.154 -4.042 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -10.853 2.715 -4.165 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -9.727 -1.113 -2.650 1.00 1.49 H new ATOM 0 HH TYR B 17 -8.746 0.795 -2.044 1.00 1.42 H new ATOM 1226 N GLN B 18 -15.051 0.605 -3.380 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.162 1.010 -1.993 1.00 0.44 C ATOM 1228 C GLN B 18 -16.500 0.562 -1.421 1.00 0.38 C ATOM 1229 O GLN B 18 -16.665 0.471 -0.207 1.00 0.38 O ATOM 1230 CB GLN B 18 -14.974 2.514 -1.852 1.00 0.52 C ATOM 1231 CG GLN B 18 -13.512 2.899 -1.732 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.264 4.338 -2.079 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.383 5.215 -1.232 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -12.914 4.594 -3.328 1.00 0.87 N ATOM 0 H GLN B 18 -15.269 1.339 -4.054 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.369 0.526 -1.422 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.411 3.016 -2.716 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.514 2.865 -0.973 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -13.173 2.711 -0.713 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -12.918 2.263 -2.388 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -12.827 3.831 -4.000 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.731 5.554 -3.620 1.00 0.87 H new ATOM 1243 N THR B 19 -17.460 0.283 -2.304 1.00 0.39 N ATOM 1244 CA THR B 19 -18.761 -0.212 -1.871 1.00 0.38 C ATOM 1245 C THR B 19 -18.562 -1.598 -1.277 1.00 0.34 C ATOM 1246 O THR B 19 -19.191 -1.978 -0.289 1.00 0.36 O ATOM 1247 CB THR B 19 -19.770 -0.277 -3.041 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.871 1.010 -3.667 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.150 -0.710 -2.565 1.00 0.45 C ATOM 0 H THR B 19 -17.360 0.391 -3.313 1.00 0.39 H new ATOM 0 HA THR B 19 -19.175 0.473 -1.131 1.00 0.38 H new ATOM 0 HB THR B 19 -19.404 -1.015 -3.755 1.00 0.41 H new ATOM 0 HG1 THR B 19 -18.989 1.284 -3.995 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.833 -0.745 -3.414 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.085 -1.699 -2.111 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.521 0.003 -1.829 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.635 -2.329 -1.884 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.283 -3.663 -1.432 1.00 0.33 C ATOM 1259 C VAL B 20 -16.419 -3.550 -0.184 1.00 0.36 C ATOM 1260 O VAL B 20 -16.566 -4.321 0.760 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.532 -4.451 -2.528 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.161 -5.849 -2.051 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.373 -4.526 -3.790 1.00 0.44 C ATOM 0 H VAL B 20 -17.110 -2.013 -2.699 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.199 -4.208 -1.205 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.607 -3.920 -2.751 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.634 -6.377 -2.846 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.517 -5.775 -1.175 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.067 -6.397 -1.790 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.833 -5.084 -4.555 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.314 -5.030 -3.571 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.577 -3.518 -4.152 1.00 0.44 H new ATOM 1273 N SER B 21 -15.532 -2.555 -0.194 1.00 0.39 N ATOM 1274 CA SER B 21 -14.648 -2.274 0.931 1.00 0.45 C ATOM 1275 C SER B 21 -15.458 -2.072 2.206 1.00 0.45 C ATOM 1276 O SER B 21 -15.031 -2.457 3.294 1.00 0.52 O ATOM 1277 CB SER B 21 -13.824 -1.020 0.625 1.00 0.50 C ATOM 1278 OG SER B 21 -13.242 -0.475 1.795 1.00 1.29 O ATOM 0 H SER B 21 -15.408 -1.922 -0.984 1.00 0.39 H new ATOM 0 HA SER B 21 -13.979 -3.121 1.081 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.039 -1.266 -0.090 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.462 -0.272 0.154 1.00 0.50 H new ATOM 0 HG SER B 21 -12.723 0.323 1.561 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.629 -1.468 2.056 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.513 -1.218 3.185 1.00 0.51 C ATOM 1286 C ARG B 22 -18.078 -2.525 3.724 1.00 0.54 C ATOM 1287 O ARG B 22 -18.016 -2.778 4.927 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.643 -0.274 2.772 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.209 1.182 2.710 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.971 1.960 1.645 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.352 3.258 1.364 1.00 1.46 N ATOM 1292 CZ ARG B 22 -18.261 3.796 0.147 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -18.770 3.164 -0.905 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.664 4.969 -0.019 1.00 2.66 N ATOM 0 H ARG B 22 -16.989 -1.141 1.159 1.00 0.44 H new ATOM 0 HA ARG B 22 -16.936 -0.744 3.979 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.023 -0.576 1.796 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.467 -0.372 3.479 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.367 1.649 3.682 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -17.140 1.233 2.501 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.013 1.373 0.728 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -19.999 2.112 1.974 1.00 1.03 H new ATOM 0 HE ARG B 22 -17.966 3.783 2.149 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -19.233 2.263 -0.784 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -18.698 3.580 -1.834 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.274 5.461 0.785 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.595 5.379 -0.950 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.584 -3.368 2.828 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.152 -4.657 3.213 1.00 0.58 C ATOM 1310 C VAL B 23 -18.074 -5.541 3.828 1.00 0.62 C ATOM 1311 O VAL B 23 -18.321 -6.291 4.777 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.772 -5.383 1.998 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.468 -6.667 2.424 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.737 -4.470 1.259 1.00 0.55 C ATOM 0 H VAL B 23 -18.612 -3.180 1.826 1.00 0.50 H new ATOM 0 HA VAL B 23 -19.938 -4.468 3.944 1.00 0.58 H new ATOM 0 HB VAL B 23 -18.962 -5.648 1.318 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.895 -7.157 1.549 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.746 -7.333 2.896 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.263 -6.432 3.132 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.161 -5.002 0.408 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.538 -4.166 1.933 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.204 -3.587 0.906 1.00 0.55 H new ATOM 1324 N VAL B 24 -16.872 -5.426 3.283 1.00 0.59 N ATOM 1325 CA VAL B 24 -15.727 -6.190 3.748 1.00 0.69 C ATOM 1326 C VAL B 24 -15.272 -5.700 5.119 1.00 0.76 C ATOM 1327 O VAL B 24 -14.838 -6.489 5.961 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.559 -6.094 2.737 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.232 -6.471 3.369 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -14.835 -6.980 1.536 1.00 0.66 C ATOM 0 H VAL B 24 -16.664 -4.799 2.505 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.031 -7.233 3.833 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.487 -5.056 2.414 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.439 -6.390 2.626 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.020 -5.798 4.200 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.282 -7.496 3.736 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.007 -6.905 0.831 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -14.940 -8.014 1.863 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.756 -6.658 1.050 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.390 -4.400 5.339 1.00 0.72 N ATOM 1341 CA ASN B 25 -14.991 -3.805 6.601 1.00 0.79 C ATOM 1342 C ASN B 25 -15.983 -4.149 7.707 1.00 1.20 C ATOM 1343 O ASN B 25 -15.814 -5.128 8.433 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.894 -2.285 6.472 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.471 -1.794 6.323 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.740 -1.675 7.307 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.076 -1.492 5.098 1.00 1.07 N ATOM 0 H ASN B 25 -15.760 -3.737 4.658 1.00 0.72 H new ATOM 0 HA ASN B 25 -14.014 -4.212 6.860 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.476 -1.961 5.609 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -15.342 -1.822 7.351 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.131 -1.144 4.938 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.717 -1.607 4.313 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.009 2.431 5.129 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.052 3.115 3.851 1.00 0.93 C ATOM 1394 C HIS B 29 -23.351 2.148 2.711 1.00 0.85 C ATOM 1395 O HIS B 29 -22.987 2.403 1.564 1.00 1.08 O ATOM 1396 CB HIS B 29 -21.759 3.841 3.518 1.00 1.01 C ATOM 1397 CG HIS B 29 -21.120 4.669 4.593 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.287 4.717 5.936 1.00 1.04 N flip ATOM 1399 CD2 HIS B 29 -20.173 5.624 4.296 1.00 1.26 C flip ATOM 1400 CE1 HIS B 29 -20.449 5.692 6.409 1.00 1.07 C flip ATOM 1401 NE2 HIS B 29 -19.791 6.221 5.397 1.00 1.31 N flip ATOM 0 HA HIS B 29 -23.852 3.849 3.951 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -21.032 3.097 3.193 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -21.951 4.492 2.665 1.00 1.01 H new ATOM 0 HD1 HIS B 29 -21.917 4.137 6.490 1.00 1.04 H new ATOM 0 HD2 HIS B 29 -19.802 5.846 3.306 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -20.344 5.981 7.444 1.00 1.07 H new ATOM 1410 N VAL B 30 -24.000 1.043 3.023 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.338 0.059 2.016 1.00 0.78 C ATOM 1412 C VAL B 30 -25.808 -0.295 2.106 1.00 0.81 C ATOM 1413 O VAL B 30 -26.294 -0.705 3.160 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.488 -1.225 2.140 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -22.205 -1.095 1.334 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.172 -1.535 3.593 1.00 1.22 C ATOM 0 H VAL B 30 -24.304 0.805 3.967 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.121 0.506 1.046 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.071 -2.053 1.737 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -21.619 -2.009 1.433 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -22.450 -0.933 0.284 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -21.626 -0.250 1.706 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -22.573 -2.444 3.649 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.615 -0.706 4.029 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -24.101 -1.678 4.145 1.00 1.22 H new ATOM 1426 N SER B 31 -26.515 -0.106 1.006 1.00 0.82 N ATOM 1427 CA SER B 31 -27.930 -0.406 0.952 1.00 0.88 C ATOM 1428 C SER B 31 -28.145 -1.910 0.831 1.00 0.94 C ATOM 1429 O SER B 31 -27.244 -2.633 0.420 1.00 1.42 O ATOM 1430 CB SER B 31 -28.559 0.333 -0.228 1.00 0.90 C ATOM 1431 OG SER B 31 -27.566 0.706 -1.177 1.00 0.83 O ATOM 0 H SER B 31 -26.127 0.256 0.135 1.00 0.82 H new ATOM 0 HA SER B 31 -28.410 -0.072 1.872 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.305 -0.303 -0.706 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.079 1.222 0.129 1.00 0.90 H new ATOM 0 HG SER B 31 -27.001 -0.068 -1.380 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.326 -2.379 1.205 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.646 -3.806 1.145 1.00 0.92 C ATOM 1439 C ALA B 32 -29.330 -4.402 -0.224 1.00 0.86 C ATOM 1440 O ALA B 32 -28.711 -5.463 -0.320 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.108 -4.029 1.490 1.00 1.07 C ATOM 0 H ALA B 32 -30.084 -1.793 1.555 1.00 0.88 H new ATOM 0 HA ALA B 32 -29.020 -4.316 1.878 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.335 -5.094 1.442 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.304 -3.661 2.497 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.736 -3.492 0.779 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.728 -3.695 -1.274 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.519 -4.152 -2.644 1.00 0.87 C ATOM 1449 C LYS B 33 -28.035 -4.257 -3.008 1.00 0.79 C ATOM 1450 O LYS B 33 -27.621 -5.226 -3.640 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.235 -3.221 -3.625 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.149 -3.679 -5.071 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.230 -3.039 -5.929 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.614 -3.567 -5.578 1.00 2.55 C ATOM 1455 NZ LYS B 33 -32.688 -5.050 -5.675 1.00 3.30 N ATOM 0 H LYS B 33 -30.202 -2.795 -1.202 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.940 -5.155 -2.715 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.284 -3.143 -3.339 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.807 -2.222 -3.543 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -29.168 -3.428 -5.474 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.244 -4.764 -5.115 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -31.208 -1.958 -5.795 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.022 -3.234 -6.981 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -32.874 -3.257 -4.566 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -33.351 -3.123 -6.247 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -33.684 -5.345 -5.732 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -32.184 -5.368 -6.527 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.248 -5.475 -4.834 1.00 3.30 H new ATOM 1469 N THR B 34 -27.231 -3.280 -2.607 1.00 0.68 N ATOM 1470 CA THR B 34 -25.809 -3.301 -2.936 1.00 0.61 C ATOM 1471 C THR B 34 -25.024 -4.226 -2.004 1.00 0.57 C ATOM 1472 O THR B 34 -24.167 -4.984 -2.456 1.00 0.54 O ATOM 1473 CB THR B 34 -25.207 -1.883 -2.891 1.00 0.64 C ATOM 1474 OG1 THR B 34 -25.651 -1.196 -1.712 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.604 -1.094 -4.126 1.00 0.73 C ATOM 0 H THR B 34 -27.532 -2.473 -2.061 1.00 0.68 H new ATOM 0 HA THR B 34 -25.726 -3.689 -3.951 1.00 0.61 H new ATOM 0 HB THR B 34 -24.121 -1.971 -2.867 1.00 0.64 H new ATOM 0 HG1 THR B 34 -26.022 -1.843 -1.076 1.00 0.79 H new ATOM 0 HG21 THR B 34 -25.169 -0.096 -4.075 1.00 0.73 H new ATOM 0 HG22 THR B 34 -25.238 -1.604 -5.017 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.690 -1.015 -4.174 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.338 -4.168 -0.714 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.670 -4.986 0.297 1.00 0.61 C ATOM 1485 C ARG B 35 -24.773 -6.472 -0.036 1.00 0.60 C ATOM 1486 O ARG B 35 -23.766 -7.185 -0.067 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.287 -4.704 1.672 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.638 -5.456 2.823 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.477 -5.349 4.086 1.00 1.00 C ATOM 1490 NE ARG B 35 -24.807 -5.915 5.252 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.894 -5.399 6.474 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.566 -4.273 6.673 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.295 -5.995 7.496 1.00 3.21 N ATOM 0 H ARG B 35 -26.061 -3.554 -0.338 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.612 -4.723 0.312 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.223 -3.634 1.872 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.346 -4.959 1.640 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.514 -6.505 2.553 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.642 -5.054 3.009 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -25.708 -4.301 4.277 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.426 -5.862 3.932 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.240 -6.753 5.122 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -26.016 -3.802 5.888 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -25.632 -3.878 7.611 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -23.765 -6.853 7.346 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -24.365 -5.595 8.432 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.990 -6.920 -0.312 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.236 -8.319 -0.636 1.00 0.67 C ATOM 1509 C GLU B 36 -25.690 -8.670 -2.016 1.00 0.62 C ATOM 1510 O GLU B 36 -25.341 -9.824 -2.276 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.730 -8.625 -0.562 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.295 -8.509 0.844 1.00 0.84 C ATOM 1513 CD GLU B 36 -29.785 -8.769 0.904 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -30.191 -9.945 0.818 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -30.555 -7.797 1.057 1.00 1.98 O ATOM 0 H GLU B 36 -26.824 -6.333 -0.318 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.713 -8.932 0.098 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.267 -7.942 -1.220 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.907 -9.633 -0.936 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -27.782 -9.216 1.496 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.090 -7.511 1.231 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.604 -7.675 -2.891 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.091 -7.888 -4.236 1.00 0.56 C ATOM 1524 C LYS B 37 -23.584 -8.131 -4.191 1.00 0.48 C ATOM 1525 O LYS B 37 -23.060 -8.973 -4.917 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.406 -6.688 -5.131 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.954 -6.866 -6.571 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.290 -5.653 -7.425 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.786 -5.509 -7.647 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.087 -4.508 -8.702 1.00 1.66 N ATOM 0 H LYS B 37 -25.883 -6.714 -2.692 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.579 -8.767 -4.656 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.481 -6.507 -5.116 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.928 -5.801 -4.716 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -23.878 -7.040 -6.595 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -25.430 -7.751 -6.994 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -24.907 -4.753 -6.943 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -24.787 -5.738 -8.388 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.207 -6.474 -7.929 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.266 -5.212 -6.715 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.117 -4.435 -8.828 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -26.706 -3.582 -8.421 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -26.649 -4.805 -9.597 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.899 -7.396 -3.320 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.453 -7.529 -3.159 1.00 0.37 C ATOM 1546 C VAL B 38 -21.091 -8.947 -2.720 1.00 0.39 C ATOM 1547 O VAL B 38 -20.225 -9.596 -3.311 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.913 -6.512 -2.128 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.477 -6.824 -1.757 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.027 -5.092 -2.664 1.00 0.38 C ATOM 0 H VAL B 38 -23.325 -6.697 -2.711 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.991 -7.324 -4.125 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.522 -6.592 -1.227 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.122 -6.093 -1.030 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.422 -7.823 -1.324 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.853 -6.781 -2.650 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.642 -4.391 -1.923 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.448 -5.003 -3.583 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.073 -4.864 -2.870 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.777 -9.420 -1.689 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.547 -10.759 -1.166 1.00 0.50 C ATOM 1562 C GLU B 39 -21.851 -11.812 -2.223 1.00 0.53 C ATOM 1563 O GLU B 39 -21.175 -12.840 -2.302 1.00 0.55 O ATOM 1564 CB GLU B 39 -22.400 -10.998 0.076 1.00 0.59 C ATOM 1565 CG GLU B 39 -21.989 -10.137 1.251 1.00 0.63 C ATOM 1566 CD GLU B 39 -22.729 -10.495 2.515 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -22.323 -11.466 3.191 1.00 1.76 O ATOM 1568 OE2 GLU B 39 -23.720 -9.817 2.842 1.00 1.79 O ATOM 0 H GLU B 39 -22.500 -8.894 -1.197 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.495 -10.841 -0.891 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -23.445 -10.800 -0.164 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -22.331 -12.048 0.361 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -20.917 -10.244 1.418 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.171 -9.089 1.011 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.871 -11.550 -3.036 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.253 -12.468 -4.099 1.00 0.61 C ATOM 1577 C ALA B 40 -22.199 -12.493 -5.195 1.00 0.53 C ATOM 1578 O ALA B 40 -21.873 -13.553 -5.732 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.604 -12.080 -4.679 1.00 0.70 C ATOM 0 H ALA B 40 -23.446 -10.710 -2.977 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.330 -13.468 -3.671 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.873 -12.777 -5.472 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.360 -12.113 -3.894 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.549 -11.071 -5.087 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.670 -11.316 -5.520 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.643 -11.187 -6.546 1.00 0.43 C ATOM 1587 C ALA B 41 -19.393 -11.966 -6.157 1.00 0.38 C ATOM 1588 O ALA B 41 -18.698 -12.518 -7.012 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.305 -9.725 -6.790 1.00 0.42 C ATOM 0 H ALA B 41 -21.939 -10.434 -5.084 1.00 0.47 H new ATOM 0 HA ALA B 41 -21.035 -11.607 -7.472 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.536 -9.653 -7.559 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.199 -9.195 -7.119 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.937 -9.278 -5.867 1.00 0.42 H new ATOM 1595 N MET B 42 -19.133 -12.034 -4.852 1.00 0.38 N ATOM 1596 CA MET B 42 -17.973 -12.757 -4.332 1.00 0.40 C ATOM 1597 C MET B 42 -18.031 -14.230 -4.734 1.00 0.45 C ATOM 1598 O MET B 42 -17.003 -14.890 -4.853 1.00 0.52 O ATOM 1599 CB MET B 42 -17.904 -12.656 -2.804 1.00 0.44 C ATOM 1600 CG MET B 42 -17.624 -11.253 -2.281 1.00 0.41 C ATOM 1601 SD MET B 42 -17.446 -11.206 -0.487 1.00 0.51 S ATOM 1602 CE MET B 42 -17.238 -9.447 -0.217 1.00 0.46 C ATOM 0 H MET B 42 -19.711 -11.596 -4.134 1.00 0.38 H new ATOM 0 HA MET B 42 -17.082 -12.299 -4.761 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.848 -13.006 -2.385 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.126 -13.328 -2.442 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.713 -10.872 -2.743 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.435 -10.589 -2.580 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.408 -9.280 0.469 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.028 -8.955 -1.167 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.151 -9.034 0.211 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.239 -14.730 -4.971 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.421 -16.125 -5.352 1.00 0.53 C ATOM 1614 C ALA B 43 -19.477 -16.281 -6.866 1.00 0.55 C ATOM 1615 O ALA B 43 -19.241 -17.364 -7.394 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.680 -16.695 -4.718 1.00 0.61 C ATOM 0 H ALA B 43 -20.103 -14.192 -4.906 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.560 -16.683 -4.985 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.797 -17.737 -5.015 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.601 -16.634 -3.633 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.546 -16.123 -5.051 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.788 -15.196 -7.561 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.876 -15.220 -9.016 1.00 0.58 C ATOM 1624 C GLU B 44 -18.490 -15.165 -9.636 1.00 0.59 C ATOM 1625 O GLU B 44 -18.177 -15.928 -10.548 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.722 -14.057 -9.528 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.135 -14.055 -8.981 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.910 -15.310 -9.344 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.535 -15.336 -10.426 1.00 1.55 O ATOM 1630 OE2 GLU B 44 -22.907 -16.270 -8.546 1.00 1.29 O ATOM 0 H GLU B 44 -19.984 -14.287 -7.141 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.356 -16.154 -9.308 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.236 -13.119 -9.262 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.762 -14.098 -10.617 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.099 -13.957 -7.896 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.666 -13.183 -9.363 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.661 -14.256 -9.140 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.296 -14.118 -9.645 1.00 0.55 C ATOM 1639 C LEU B 45 -15.384 -15.149 -8.998 1.00 0.55 C ATOM 1640 O LEU B 45 -14.293 -15.421 -9.499 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.712 -12.722 -9.353 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.352 -11.534 -10.069 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.912 -11.941 -11.421 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.420 -10.907 -9.195 1.00 0.99 C ATOM 0 H LEU B 45 -17.905 -13.606 -8.393 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.346 -14.268 -10.723 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.779 -12.546 -8.279 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.652 -12.739 -9.608 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.579 -10.788 -10.252 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.360 -11.074 -11.905 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -16.108 -12.330 -12.046 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.670 -12.712 -11.284 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.868 -10.062 -9.718 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.190 -11.646 -8.974 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.971 -10.561 -8.264 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.860 -15.733 -7.896 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.083 -16.691 -7.116 1.00 0.59 C ATOM 1658 C ASN B 46 -13.950 -15.919 -6.462 1.00 0.54 C ATOM 1659 O ASN B 46 -12.771 -16.158 -6.721 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.545 -17.847 -7.975 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.891 -18.943 -7.153 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -14.474 -19.261 -6.006 1.00 1.77 O flip ATOM 1663 ND2 ASN B 46 -12.871 -19.507 -7.548 1.00 1.40 N flip ATOM 0 H ASN B 46 -16.792 -15.554 -7.523 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.721 -17.158 -6.366 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -15.364 -18.274 -8.553 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.821 -17.455 -8.689 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -12.450 -19.236 -8.436 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.447 -20.246 -6.987 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.351 -14.960 -5.628 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.435 -14.070 -4.925 1.00 0.46 C ATOM 1672 C TYR B 47 -12.392 -14.828 -4.112 1.00 0.52 C ATOM 1673 O TYR B 47 -12.702 -15.437 -3.085 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.236 -13.124 -4.015 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.425 -12.033 -3.328 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.098 -11.782 -3.659 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -14.005 -11.251 -2.336 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.377 -10.789 -3.023 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.291 -10.257 -1.697 1.00 1.33 C ATOM 1680 CZ TYR B 47 -11.976 -10.030 -2.043 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.262 -9.042 -1.403 1.00 0.51 O ATOM 0 H TYR B 47 -15.333 -14.779 -5.421 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.892 -13.495 -5.675 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -15.018 -12.651 -4.610 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.734 -13.719 -3.249 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.622 -12.374 -4.427 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -15.035 -11.424 -2.060 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.347 -10.609 -3.294 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.761 -9.660 -0.929 1.00 1.33 H new ATOM 0 HH TYR B 47 -10.607 -8.658 -2.023 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.158 -14.783 -4.604 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.023 -15.392 -3.932 1.00 0.64 C ATOM 1693 C ILE B 48 -9.097 -14.263 -3.494 1.00 0.59 C ATOM 1694 O ILE B 48 -8.199 -13.867 -4.238 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.250 -16.384 -4.833 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.205 -17.403 -5.468 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.179 -17.095 -4.021 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.925 -18.284 -4.468 1.00 1.28 C ATOM 0 H ILE B 48 -10.920 -14.321 -5.482 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.388 -15.972 -3.084 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.772 -15.823 -5.636 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.945 -16.869 -6.064 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -9.641 -18.036 -6.153 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.639 -17.792 -4.662 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.483 -16.361 -3.615 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.646 -17.643 -3.203 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.580 -18.976 -4.998 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.195 -18.848 -3.888 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -11.519 -17.663 -3.798 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.334 -13.749 -2.270 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.613 -12.625 -1.667 1.00 0.64 C ATOM 1712 C PRO B 49 -7.180 -12.425 -2.151 1.00 0.60 C ATOM 1713 O PRO B 49 -6.362 -13.354 -2.131 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.629 -13.014 -0.196 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.963 -13.644 -0.005 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.333 -14.279 -1.324 1.00 0.72 C ATOM 0 HA PRO B 49 -9.079 -11.673 -1.921 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.822 -13.707 0.042 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.502 -12.144 0.448 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.929 -14.391 0.788 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.704 -12.901 0.289 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.292 -15.367 -1.268 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.347 -14.013 -1.624 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.892 -11.195 -2.598 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.560 -10.823 -3.075 1.00 0.58 C ATOM 1726 C ASN B 50 -4.633 -10.673 -1.874 1.00 0.60 C ATOM 1727 O ASN B 50 -4.191 -9.573 -1.549 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.625 -9.504 -3.860 1.00 0.74 C ATOM 1729 CG ASN B 50 -4.696 -9.476 -5.064 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -3.842 -10.347 -5.214 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -4.848 -8.465 -5.923 1.00 0.68 N ATOM 0 H ASN B 50 -7.573 -10.437 -2.638 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.180 -11.598 -3.740 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -6.649 -9.339 -4.195 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -5.371 -8.680 -3.194 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -4.242 -8.395 -6.741 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -5.570 -7.763 -5.761 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.353 -11.811 -1.238 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.533 -11.894 -0.028 1.00 0.84 C ATOM 1740 C ARG B 51 -2.245 -11.073 -0.091 1.00 0.76 C ATOM 1741 O ARG B 51 -1.829 -10.517 0.914 1.00 0.85 O ATOM 1742 CB ARG B 51 -3.206 -13.366 0.296 1.00 1.06 C ATOM 1743 CG ARG B 51 -2.058 -13.961 -0.510 1.00 1.68 C ATOM 1744 CD ARG B 51 -2.544 -14.677 -1.759 1.00 2.18 C ATOM 1745 NE ARG B 51 -1.434 -15.297 -2.484 1.00 2.97 N ATOM 1746 CZ ARG B 51 -1.432 -15.546 -3.796 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -2.494 -15.242 -4.537 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -0.362 -16.101 -4.363 1.00 4.76 N ATOM 0 H ARG B 51 -4.696 -12.718 -1.555 1.00 0.72 H new ATOM 0 HA ARG B 51 -4.133 -11.456 0.770 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -2.965 -13.445 1.356 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -4.099 -13.967 0.127 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -1.366 -13.168 -0.794 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -1.502 -14.660 0.114 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -3.272 -15.440 -1.483 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -3.056 -13.969 -2.410 1.00 2.18 H new ATOM 0 HE ARG B 51 -0.605 -15.557 -1.950 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -3.314 -14.817 -4.103 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -2.489 -15.434 -5.539 1.00 4.03 H new ATOM 0 HH21 ARG B 51 0.453 -16.335 -3.795 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -0.357 -16.292 -5.365 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.620 -10.984 -1.255 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.380 -10.226 -1.377 1.00 0.62 C ATOM 1764 C CYS B 52 -0.593 -8.749 -1.070 1.00 0.58 C ATOM 1765 O CYS B 52 0.139 -8.158 -0.274 1.00 0.61 O ATOM 1766 CB CYS B 52 0.213 -10.399 -2.772 1.00 0.66 C ATOM 1767 SG CYS B 52 0.829 -12.085 -3.103 1.00 0.70 S ATOM 0 H CYS B 52 -1.943 -11.420 -2.119 1.00 0.66 H new ATOM 0 HA CYS B 52 0.322 -10.619 -0.642 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.545 -10.147 -3.513 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.032 -9.691 -2.900 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.608 -8.165 -1.684 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.913 -6.760 -1.482 1.00 0.52 C ATOM 1774 C ALA B 53 -2.773 -6.545 -0.236 1.00 0.51 C ATOM 1775 O ALA B 53 -2.709 -5.494 0.390 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.589 -6.200 -2.715 1.00 0.53 C ATOM 0 H ALA B 53 -2.236 -8.645 -2.329 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.978 -6.225 -1.319 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.816 -5.145 -2.558 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.925 -6.305 -3.573 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.514 -6.746 -2.903 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.561 -7.552 0.133 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.431 -7.454 1.304 1.00 0.53 C ATOM 1784 C GLN B 54 -3.645 -7.583 2.606 1.00 0.58 C ATOM 1785 O GLN B 54 -3.984 -6.944 3.599 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.539 -8.501 1.239 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.696 -8.094 0.337 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.895 -9.008 0.480 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.751 -10.201 0.736 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -9.085 -8.458 0.314 1.00 0.64 N ATOM 0 H GLN B 54 -3.616 -8.443 -0.360 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.885 -6.463 1.293 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.121 -9.442 0.881 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.917 -8.683 2.245 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.993 -7.072 0.572 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.362 -8.098 -0.701 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.162 -7.463 0.102 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.927 -9.028 0.398 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.613 -8.417 2.615 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.784 -8.570 3.807 1.00 0.62 C ATOM 1801 C GLN B 55 -1.000 -7.283 4.008 1.00 0.60 C ATOM 1802 O GLN B 55 -0.826 -6.790 5.126 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.828 -9.757 3.644 1.00 0.65 C ATOM 1804 CG GLN B 55 0.291 -9.806 4.672 1.00 1.19 C ATOM 1805 CD GLN B 55 -0.145 -10.404 5.991 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -1.042 -11.245 6.044 1.00 2.38 O ATOM 1807 NE2 GLN B 55 0.496 -9.975 7.063 1.00 2.52 N ATOM 0 H GLN B 55 -2.331 -8.992 1.821 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.412 -8.765 4.676 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.402 -10.682 3.705 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.388 -9.720 2.647 1.00 0.65 H new ATOM 0 HG2 GLN B 55 1.120 -10.389 4.271 1.00 1.19 H new ATOM 0 HG3 GLN B 55 0.665 -8.796 4.843 1.00 1.19 H new ATOM 0 HE21 GLN B 55 1.233 -9.276 6.971 1.00 2.52 H new ATOM 0 HE22 GLN B 55 0.254 -10.342 7.983 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.549 -6.750 2.886 1.00 0.54 N ATOM 1817 CA LEU B 56 0.204 -5.514 2.838 1.00 0.53 C ATOM 1818 C LEU B 56 -0.650 -4.342 3.288 1.00 0.55 C ATOM 1819 O LEU B 56 -0.412 -3.752 4.340 1.00 0.58 O ATOM 1820 CB LEU B 56 0.664 -5.296 1.399 1.00 0.48 C ATOM 1821 CG LEU B 56 1.960 -4.521 1.226 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.079 -5.177 1.997 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.320 -4.445 -0.237 1.00 0.46 C ATOM 0 H LEU B 56 -0.699 -7.172 1.970 1.00 0.54 H new ATOM 0 HA LEU B 56 1.060 -5.581 3.510 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.780 -6.270 0.924 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.125 -4.771 0.861 1.00 0.48 H new ATOM 0 HG LEU B 56 1.816 -3.513 1.615 1.00 0.46 H new ATOM 0 HD11 LEU B 56 3.998 -4.607 1.860 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.824 -5.205 3.056 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.225 -6.194 1.632 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.250 -3.888 -0.354 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.448 -5.452 -0.633 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.523 -3.939 -0.782 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.683 -4.061 2.507 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.576 -2.941 2.762 1.00 0.59 C ATOM 1837 C ALA B 57 -3.564 -3.202 3.898 1.00 0.68 C ATOM 1838 O ALA B 57 -4.450 -2.387 4.149 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.334 -2.617 1.490 1.00 0.55 C ATOM 0 H ALA B 57 -1.925 -4.604 1.678 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.959 -2.099 3.076 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -4.006 -1.778 1.671 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.628 -2.353 0.703 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.914 -3.487 1.180 1.00 0.55 H new