USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=28 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 31 SER OG : rot 47:sc= 1.28 USER MOD Set 1.2: B 34 THR OG1 : rot -71:sc= 1.16 USER MOD Set 2.1: B 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.012) USER MOD Set 3.1: B 16 SER OG : rot 11:sc= 1.19 USER MOD Set 3.2: B 19 THR OG1 : rot -130:sc= 0.936 USER MOD Set 4.1: A 25 ASN : amide:sc= 1.6 K(o=0.62,f=-1.1) USER MOD Set 4.2: A 54 GLN : amide:sc= -0.973! X(o=0.62!,f=0.17) USER MOD Set 5.1: A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: B 55 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Set 6.1: A 31 SER OG : rot 43:sc= 0.492 USER MOD Set 6.2: A 34 THR OG1 : rot 180:sc= 0.564 USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 1.27 USER MOD Set 7.2: A 19 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 5 THR OG1 : rot -171:sc= 0.187 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 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.406 F(o=-1.9!,f=-0.41) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0849 K(o=-0.085,f=-0.91) USER MOD Single : A 28 SER OG : rot 180:sc= 0.107 USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.125 F(o=-1.8,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 154:sc= -2.63 (180deg=-4.03!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-0.77) USER MOD Single : B 5 THR OG1 : rot -92:sc= -0.0567! USER MOD Single : B 7 TYR OH : rot -80:sc= 0.433 USER MOD Single : B 12 TYR OH : rot 98:sc= 1.27 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -1.09! C(o=-1.1!,f=-3.4!) USER MOD Single : B 29 HIS :FLIP no HD1:sc= -0.228 F(o=-0.93,f=-0.23) USER MOD Single : B 33 LYS NZ :NH3+ 164:sc= -0.0229 (180deg=-0.213) USER MOD Single : B 37 LYS NZ :NH3+ -168:sc= -0.0229 (180deg=-0.162) USER MOD Single : B 42 MET CE :methyl -137:sc= -0.177 (180deg=-2.88!) USER MOD Single : B 46 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : B 47 TYR OH : rot 171:sc= -1.55! USER MOD Single : B 50 ASN : amide:sc= -4.67! C(o=-4.7!,f=-13!) USER MOD Single : B 54 GLN : amide:sc= -0.0213 K(o=-0.021,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.513 -11.419 11.603 1.00 0.87 N ATOM 43 CA PRO A 3 6.524 -11.187 10.564 1.00 0.67 C ATOM 44 C PRO A 3 7.176 -9.815 10.663 1.00 0.57 C ATOM 45 O PRO A 3 6.501 -8.781 10.606 1.00 0.62 O ATOM 46 CB PRO A 3 5.739 -11.298 9.254 1.00 0.89 C ATOM 47 CG PRO A 3 4.539 -12.107 9.595 1.00 1.30 C ATOM 48 CD PRO A 3 4.206 -11.773 11.020 1.00 1.15 C ATOM 0 HA PRO A 3 7.345 -11.899 10.652 1.00 0.67 H new ATOM 0 HB2 PRO A 3 5.458 -10.315 8.877 1.00 0.89 H new ATOM 0 HB3 PRO A 3 6.333 -11.780 8.477 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.706 -11.868 8.933 1.00 1.30 H new ATOM 0 HG3 PRO A 3 4.741 -13.172 9.481 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.500 -10.945 11.084 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.752 -12.619 11.535 1.00 1.15 H new ATOM 56 N VAL A 4 8.492 -9.820 10.821 1.00 0.48 N ATOM 57 CA VAL A 4 9.266 -8.595 10.914 1.00 0.41 C ATOM 58 C VAL A 4 9.381 -7.970 9.534 1.00 0.36 C ATOM 59 O VAL A 4 9.471 -8.682 8.531 1.00 0.37 O ATOM 60 CB VAL A 4 10.669 -8.881 11.490 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.508 -7.616 11.571 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.554 -9.514 12.862 1.00 0.54 C ATOM 0 H VAL A 4 9.050 -10.671 10.888 1.00 0.48 H new ATOM 0 HA VAL A 4 8.759 -7.902 11.586 1.00 0.41 H new ATOM 0 HB VAL A 4 11.169 -9.574 10.814 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.489 -7.856 11.981 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.625 -7.193 10.573 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.012 -6.891 12.217 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.551 -9.711 13.257 1.00 0.54 H new ATOM 0 HG22 VAL A 4 10.025 -8.836 13.532 1.00 0.54 H new ATOM 0 HG23 VAL A 4 10.003 -10.451 12.785 1.00 0.54 H new ATOM 72 N THR A 5 9.364 -6.649 9.478 1.00 0.33 N ATOM 73 CA THR A 5 9.442 -5.952 8.212 1.00 0.31 C ATOM 74 C THR A 5 10.803 -5.292 8.046 1.00 0.26 C ATOM 75 O THR A 5 11.569 -5.174 9.008 1.00 0.26 O ATOM 76 CB THR A 5 8.306 -4.906 8.090 1.00 0.36 C ATOM 77 OG1 THR A 5 8.785 -3.587 8.384 1.00 0.37 O ATOM 78 CG2 THR A 5 7.160 -5.247 9.037 1.00 0.41 C ATOM 0 H THR A 5 9.297 -6.041 10.295 1.00 0.33 H new ATOM 0 HA THR A 5 9.317 -6.682 7.412 1.00 0.31 H new ATOM 0 HB THR A 5 7.947 -4.930 7.061 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.027 -2.969 8.440 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.371 -4.501 8.937 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.763 -6.231 8.788 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.526 -5.253 10.064 1.00 0.41 H new ATOM 86 N LEU A 6 11.101 -4.875 6.824 1.00 0.24 N ATOM 87 CA LEU A 6 12.370 -4.231 6.518 1.00 0.20 C ATOM 88 C LEU A 6 12.508 -2.913 7.269 1.00 0.21 C ATOM 89 O LEU A 6 13.612 -2.394 7.438 1.00 0.20 O ATOM 90 CB LEU A 6 12.520 -4.011 5.006 1.00 0.21 C ATOM 91 CG LEU A 6 11.831 -2.770 4.421 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.145 -2.657 2.936 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.327 -2.827 4.638 1.00 0.29 C ATOM 0 H LEU A 6 10.476 -4.972 6.023 1.00 0.24 H new ATOM 0 HA LEU A 6 13.170 -4.894 6.848 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.583 -3.952 4.774 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.131 -4.891 4.493 1.00 0.21 H new ATOM 0 HG LEU A 6 12.212 -1.889 4.937 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.653 -1.775 2.526 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.223 -2.569 2.798 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.784 -3.546 2.419 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.864 -1.936 4.214 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.922 -3.713 4.150 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.115 -2.873 5.706 1.00 0.29 H new ATOM 105 N TYR A 7 11.382 -2.385 7.747 1.00 0.25 N ATOM 106 CA TYR A 7 11.390 -1.136 8.489 1.00 0.28 C ATOM 107 C TYR A 7 11.932 -1.378 9.887 1.00 0.28 C ATOM 108 O TYR A 7 12.629 -0.534 10.446 1.00 0.30 O ATOM 109 CB TYR A 7 9.986 -0.536 8.580 1.00 0.34 C ATOM 110 CG TYR A 7 9.483 0.070 7.289 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.005 1.263 6.807 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.480 -0.551 6.556 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.540 1.819 5.632 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.011 -0.001 5.382 1.00 0.44 C ATOM 115 CZ TYR A 7 8.543 1.182 4.925 1.00 0.44 C ATOM 116 OH TYR A 7 8.076 1.733 3.755 1.00 0.49 O ATOM 0 H TYR A 7 10.459 -2.804 7.632 1.00 0.25 H new ATOM 0 HA TYR A 7 12.029 -0.429 7.960 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.291 -1.314 8.898 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.981 0.231 9.354 1.00 0.34 H new ATOM 0 HD1 TYR A 7 10.786 1.763 7.360 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.060 -1.480 6.912 1.00 0.41 H new ATOM 0 HE1 TYR A 7 9.955 2.748 5.269 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.230 -0.496 4.824 1.00 0.44 H new ATOM 0 HH TYR A 7 7.375 1.160 3.380 1.00 0.49 H new ATOM 126 N ASP A 8 11.626 -2.550 10.432 1.00 0.28 N ATOM 127 CA ASP A 8 12.086 -2.908 11.766 1.00 0.29 C ATOM 128 C ASP A 8 13.587 -3.135 11.742 1.00 0.24 C ATOM 129 O ASP A 8 14.303 -2.743 12.663 1.00 0.25 O ATOM 130 CB ASP A 8 11.383 -4.172 12.265 1.00 0.35 C ATOM 131 CG ASP A 8 9.923 -3.945 12.593 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.604 -2.926 13.248 1.00 1.75 O ATOM 133 OD2 ASP A 8 9.086 -4.783 12.197 1.00 1.51 O ATOM 0 H ASP A 8 11.063 -3.265 9.972 1.00 0.28 H new ATOM 0 HA ASP A 8 11.847 -2.090 12.445 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.463 -4.950 11.505 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.896 -4.540 13.153 1.00 0.35 H new ATOM 138 N VAL A 9 14.056 -3.754 10.660 1.00 0.21 N ATOM 139 CA VAL A 9 15.472 -4.044 10.479 1.00 0.19 C ATOM 140 C VAL A 9 16.245 -2.753 10.263 1.00 0.18 C ATOM 141 O VAL A 9 17.288 -2.529 10.877 1.00 0.20 O ATOM 142 CB VAL A 9 15.692 -4.975 9.273 1.00 0.19 C ATOM 143 CG1 VAL A 9 17.142 -5.411 9.174 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.775 -6.178 9.362 1.00 0.22 C ATOM 0 H VAL A 9 13.466 -4.066 9.889 1.00 0.21 H new ATOM 0 HA VAL A 9 15.832 -4.542 11.379 1.00 0.19 H new ATOM 0 HB VAL A 9 15.450 -4.419 8.367 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.267 -6.068 8.313 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.778 -4.534 9.057 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.424 -5.945 10.081 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.942 -6.827 8.502 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.985 -6.729 10.279 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.737 -5.845 9.369 1.00 0.22 H new ATOM 154 N ALA A 10 15.719 -1.906 9.388 1.00 0.19 N ATOM 155 CA ALA A 10 16.343 -0.625 9.092 1.00 0.22 C ATOM 156 C ALA A 10 16.457 0.223 10.352 1.00 0.26 C ATOM 157 O ALA A 10 17.477 0.864 10.593 1.00 0.30 O ATOM 158 CB ALA A 10 15.552 0.121 8.029 1.00 0.26 C ATOM 0 H ALA A 10 14.859 -2.085 8.870 1.00 0.19 H new ATOM 0 HA ALA A 10 17.346 -0.817 8.711 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.034 1.076 7.821 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.517 -0.474 7.117 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.537 0.296 8.387 1.00 0.26 H new ATOM 164 N GLU A 11 15.412 0.195 11.161 1.00 0.29 N ATOM 165 CA GLU A 11 15.374 0.963 12.396 1.00 0.35 C ATOM 166 C GLU A 11 16.377 0.418 13.415 1.00 0.37 C ATOM 167 O GLU A 11 17.045 1.180 14.114 1.00 0.46 O ATOM 168 CB GLU A 11 13.961 0.930 12.977 1.00 0.37 C ATOM 169 CG GLU A 11 13.511 2.241 13.596 1.00 0.94 C ATOM 170 CD GLU A 11 13.996 2.412 15.015 1.00 1.51 C ATOM 171 OE1 GLU A 11 13.888 1.446 15.807 1.00 2.21 O ATOM 172 OE2 GLU A 11 14.478 3.512 15.347 1.00 2.14 O ATOM 0 H GLU A 11 14.572 -0.356 10.984 1.00 0.29 H new ATOM 0 HA GLU A 11 15.650 1.993 12.172 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.262 0.655 12.187 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.910 0.147 13.734 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.877 3.069 12.989 1.00 0.94 H new ATOM 0 HG3 GLU A 11 12.422 2.291 13.580 1.00 0.94 H new ATOM 179 N TYR A 12 16.501 -0.902 13.467 1.00 0.32 N ATOM 180 CA TYR A 12 17.403 -1.551 14.408 1.00 0.38 C ATOM 181 C TYR A 12 18.860 -1.386 13.982 1.00 0.38 C ATOM 182 O TYR A 12 19.745 -1.221 14.822 1.00 0.45 O ATOM 183 CB TYR A 12 17.054 -3.037 14.527 1.00 0.39 C ATOM 184 CG TYR A 12 17.638 -3.707 15.752 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.900 -4.283 15.718 1.00 1.38 C ATOM 186 CD2 TYR A 12 16.925 -3.757 16.942 1.00 1.10 C ATOM 187 CE1 TYR A 12 19.436 -4.891 16.837 1.00 1.49 C ATOM 188 CE2 TYR A 12 17.454 -4.361 18.068 1.00 1.07 C ATOM 189 CZ TYR A 12 18.709 -4.927 18.010 1.00 0.69 C ATOM 190 OH TYR A 12 19.245 -5.529 19.130 1.00 0.82 O ATOM 0 H TYR A 12 15.986 -1.546 12.866 1.00 0.32 H new ATOM 0 HA TYR A 12 17.281 -1.073 15.380 1.00 0.38 H new ATOM 0 HB2 TYR A 12 15.970 -3.145 14.548 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.409 -3.556 13.637 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.472 -4.256 14.802 1.00 1.38 H new ATOM 0 HD2 TYR A 12 15.940 -3.317 16.989 1.00 1.10 H new ATOM 0 HE1 TYR A 12 20.419 -5.336 16.794 1.00 1.49 H new ATOM 0 HE2 TYR A 12 16.887 -4.389 18.987 1.00 1.07 H new ATOM 0 HH TYR A 12 18.607 -5.468 19.871 1.00 0.82 H new ATOM 200 N ALA A 13 19.106 -1.405 12.677 1.00 0.33 N ATOM 201 CA ALA A 13 20.463 -1.282 12.165 1.00 0.36 C ATOM 202 C ALA A 13 20.884 0.175 12.042 1.00 0.39 C ATOM 203 O ALA A 13 22.069 0.486 11.955 1.00 0.46 O ATOM 204 CB ALA A 13 20.578 -1.981 10.822 1.00 0.33 C ATOM 0 H ALA A 13 18.388 -1.504 11.959 1.00 0.33 H new ATOM 0 HA ALA A 13 21.136 -1.761 12.877 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.597 -1.883 10.447 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.334 -3.037 10.939 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.886 -1.525 10.114 1.00 0.33 H new ATOM 210 N GLY A 14 19.903 1.060 12.034 1.00 0.38 N ATOM 211 CA GLY A 14 20.183 2.470 11.916 1.00 0.43 C ATOM 212 C GLY A 14 20.403 2.861 10.474 1.00 0.43 C ATOM 213 O GLY A 14 21.199 3.750 10.162 1.00 0.52 O ATOM 0 H GLY A 14 18.913 0.824 12.108 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.354 3.045 12.330 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.067 2.719 12.503 1.00 0.43 H new ATOM 217 N VAL A 15 19.691 2.176 9.591 1.00 0.35 N ATOM 218 CA VAL A 15 19.787 2.407 8.165 1.00 0.35 C ATOM 219 C VAL A 15 18.415 2.708 7.597 1.00 0.34 C ATOM 220 O VAL A 15 17.470 2.964 8.340 1.00 0.36 O ATOM 221 CB VAL A 15 20.366 1.177 7.433 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.807 0.947 7.835 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.545 -0.072 7.713 1.00 0.28 C ATOM 0 H VAL A 15 19.030 1.443 9.848 1.00 0.35 H new ATOM 0 HA VAL A 15 20.455 3.255 8.013 1.00 0.35 H new ATOM 0 HB VAL A 15 20.323 1.382 6.363 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.197 0.076 7.309 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.401 1.823 7.576 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.862 0.776 8.910 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.980 -0.919 7.183 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.545 -0.275 8.784 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.521 0.082 7.373 1.00 0.28 H new ATOM 233 N SER A 16 18.307 2.667 6.284 1.00 0.35 N ATOM 234 CA SER A 16 17.041 2.911 5.628 1.00 0.35 C ATOM 235 C SER A 16 16.475 1.600 5.110 1.00 0.32 C ATOM 236 O SER A 16 17.225 0.647 4.863 1.00 0.32 O ATOM 237 CB SER A 16 17.212 3.903 4.483 1.00 0.40 C ATOM 238 OG SER A 16 17.862 3.310 3.368 1.00 1.26 O ATOM 0 H SER A 16 19.082 2.467 5.651 1.00 0.35 H new ATOM 0 HA SER A 16 16.347 3.342 6.349 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.235 4.279 4.178 1.00 0.40 H new ATOM 0 HB3 SER A 16 17.790 4.761 4.828 1.00 0.40 H new ATOM 0 HG SER A 16 17.954 3.973 2.652 1.00 1.26 H new ATOM 244 N TYR A 17 15.157 1.538 4.966 1.00 0.32 N ATOM 245 CA TYR A 17 14.502 0.335 4.462 1.00 0.30 C ATOM 246 C TYR A 17 15.002 0.016 3.061 1.00 0.31 C ATOM 247 O TYR A 17 15.058 -1.144 2.650 1.00 0.30 O ATOM 248 CB TYR A 17 12.970 0.467 4.493 1.00 0.33 C ATOM 249 CG TYR A 17 12.399 1.672 3.770 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.485 2.949 4.314 1.00 1.14 C ATOM 251 CD2 TYR A 17 11.746 1.524 2.555 1.00 1.27 C ATOM 252 CE1 TYR A 17 11.940 4.039 3.668 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.203 2.611 1.899 1.00 1.32 C ATOM 254 CZ TYR A 17 11.303 3.866 2.461 1.00 0.54 C ATOM 255 OH TYR A 17 10.751 4.949 1.820 1.00 0.65 O ATOM 0 H TYR A 17 14.521 2.304 5.190 1.00 0.32 H new ATOM 0 HA TYR A 17 14.761 -0.495 5.120 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.537 -0.434 4.058 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.648 0.504 5.534 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.988 3.090 5.259 1.00 1.14 H new ATOM 0 HD2 TYR A 17 11.661 0.542 2.115 1.00 1.27 H new ATOM 0 HE1 TYR A 17 12.013 5.023 4.107 1.00 1.16 H new ATOM 0 HE2 TYR A 17 10.703 2.479 0.951 1.00 1.32 H new ATOM 0 HH TYR A 17 10.340 4.657 0.980 1.00 0.65 H new ATOM 265 N GLN A 18 15.394 1.057 2.345 1.00 0.35 N ATOM 266 CA GLN A 18 15.935 0.908 1.006 1.00 0.37 C ATOM 267 C GLN A 18 17.290 0.211 1.083 1.00 0.33 C ATOM 268 O GLN A 18 17.634 -0.600 0.225 1.00 0.34 O ATOM 269 CB GLN A 18 16.059 2.278 0.334 1.00 0.46 C ATOM 270 CG GLN A 18 16.769 2.248 -1.012 1.00 0.77 C ATOM 271 CD GLN A 18 16.045 1.428 -2.060 1.00 0.50 C ATOM 272 OE1 GLN A 18 16.804 0.781 -2.929 1.00 0.66 O flip ATOM 273 NE2 GLN A 18 14.823 1.379 -2.091 1.00 1.09 N flip ATOM 0 H GLN A 18 15.346 2.022 2.673 1.00 0.35 H new ATOM 0 HA GLN A 18 15.262 0.298 0.404 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.061 2.695 0.197 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.597 2.951 1.002 1.00 0.46 H new ATOM 0 HG2 GLN A 18 16.883 3.269 -1.376 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.772 1.844 -0.876 1.00 0.77 H new ATOM 0 HE21 GLN A 18 14.274 1.893 -1.402 1.00 1.09 H new ATOM 0 HE22 GLN A 18 14.353 0.824 -2.806 1.00 1.09 H new ATOM 282 N THR A 19 18.044 0.523 2.131 1.00 0.33 N ATOM 283 CA THR A 19 19.348 -0.080 2.345 1.00 0.34 C ATOM 284 C THR A 19 19.182 -1.564 2.648 1.00 0.29 C ATOM 285 O THR A 19 19.909 -2.406 2.120 1.00 0.31 O ATOM 286 CB THR A 19 20.096 0.606 3.508 1.00 0.39 C ATOM 287 OG1 THR A 19 20.216 2.012 3.253 1.00 0.49 O ATOM 288 CG2 THR A 19 21.479 0.000 3.713 1.00 0.45 C ATOM 0 H THR A 19 17.770 1.195 2.848 1.00 0.33 H new ATOM 0 HA THR A 19 19.937 0.049 1.437 1.00 0.34 H new ATOM 0 HB THR A 19 19.517 0.448 4.418 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.323 2.414 3.211 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.979 0.506 4.539 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.381 -1.061 3.943 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.068 0.121 2.804 1.00 0.45 H new ATOM 296 N VAL A 20 18.203 -1.873 3.493 1.00 0.25 N ATOM 297 CA VAL A 20 17.914 -3.249 3.868 1.00 0.21 C ATOM 298 C VAL A 20 17.607 -4.096 2.634 1.00 0.20 C ATOM 299 O VAL A 20 18.222 -5.143 2.424 1.00 0.24 O ATOM 300 CB VAL A 20 16.731 -3.308 4.851 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.320 -4.745 5.133 1.00 0.23 C ATOM 302 CG2 VAL A 20 17.096 -2.598 6.145 1.00 0.24 C ATOM 0 H VAL A 20 17.594 -1.182 3.932 1.00 0.25 H new ATOM 0 HA VAL A 20 18.799 -3.654 4.358 1.00 0.21 H new ATOM 0 HB VAL A 20 15.881 -2.802 4.393 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.482 -4.754 5.830 1.00 0.23 H new ATOM 0 HG12 VAL A 20 16.022 -5.228 4.202 1.00 0.23 H new ATOM 0 HG13 VAL A 20 17.161 -5.285 5.569 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.254 -2.644 6.835 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.961 -3.084 6.595 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.335 -1.556 5.933 1.00 0.24 H new ATOM 312 N SER A 21 16.690 -3.617 1.798 1.00 0.22 N ATOM 313 CA SER A 21 16.301 -4.336 0.587 1.00 0.25 C ATOM 314 C SER A 21 17.482 -4.515 -0.357 1.00 0.27 C ATOM 315 O SER A 21 17.554 -5.499 -1.102 1.00 0.32 O ATOM 316 CB SER A 21 15.167 -3.607 -0.125 1.00 0.32 C ATOM 317 OG SER A 21 13.945 -3.800 0.556 1.00 0.87 O ATOM 0 H SER A 21 16.201 -2.733 1.937 1.00 0.22 H new ATOM 0 HA SER A 21 15.955 -5.325 0.887 1.00 0.25 H new ATOM 0 HB2 SER A 21 15.392 -2.542 -0.183 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.080 -3.971 -1.149 1.00 0.32 H new ATOM 0 HG SER A 21 13.229 -3.324 0.085 1.00 0.87 H new ATOM 323 N ARG A 22 18.408 -3.572 -0.307 1.00 0.30 N ATOM 324 CA ARG A 22 19.595 -3.621 -1.148 1.00 0.40 C ATOM 325 C ARG A 22 20.536 -4.730 -0.695 1.00 0.39 C ATOM 326 O ARG A 22 21.340 -5.235 -1.479 1.00 0.58 O ATOM 327 CB ARG A 22 20.321 -2.278 -1.121 1.00 0.51 C ATOM 328 CG ARG A 22 19.732 -1.243 -2.060 1.00 0.82 C ATOM 329 CD ARG A 22 20.389 0.116 -1.865 1.00 0.75 C ATOM 330 NE ARG A 22 19.920 1.105 -2.841 1.00 0.73 N ATOM 331 CZ ARG A 22 19.701 2.391 -2.559 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.914 2.853 -1.330 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.260 3.216 -3.500 1.00 1.28 N ATOM 0 H ARG A 22 18.361 -2.760 0.309 1.00 0.30 H new ATOM 0 HA ARG A 22 19.277 -3.833 -2.169 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.301 -1.885 -0.104 1.00 0.51 H new ATOM 0 HB3 ARG A 22 21.368 -2.436 -1.381 1.00 0.51 H new ATOM 0 HG2 ARG A 22 19.863 -1.568 -3.092 1.00 0.82 H new ATOM 0 HG3 ARG A 22 18.659 -1.159 -1.886 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.182 0.476 -0.857 1.00 0.75 H new ATOM 0 HD3 ARG A 22 21.471 0.010 -1.949 1.00 0.75 H new ATOM 0 HE ARG A 22 19.750 0.790 -3.796 1.00 0.73 H new ATOM 0 HH11 ARG A 22 20.246 2.224 -0.599 1.00 2.03 H new ATOM 0 HH12 ARG A 22 19.745 3.837 -1.119 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.087 2.868 -4.443 1.00 1.28 H new ATOM 0 HH22 ARG A 22 19.094 4.198 -3.280 1.00 1.28 H new ATOM 347 N VAL A 23 20.426 -5.109 0.570 1.00 0.29 N ATOM 348 CA VAL A 23 21.261 -6.162 1.133 1.00 0.33 C ATOM 349 C VAL A 23 20.587 -7.517 0.977 1.00 0.34 C ATOM 350 O VAL A 23 21.207 -8.493 0.549 1.00 0.43 O ATOM 351 CB VAL A 23 21.538 -5.921 2.632 1.00 0.34 C ATOM 352 CG1 VAL A 23 22.404 -7.032 3.207 1.00 0.44 C ATOM 353 CG2 VAL A 23 22.189 -4.568 2.850 1.00 0.33 C ATOM 0 H VAL A 23 19.763 -4.701 1.229 1.00 0.29 H new ATOM 0 HA VAL A 23 22.205 -6.149 0.589 1.00 0.33 H new ATOM 0 HB VAL A 23 20.583 -5.927 3.157 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.586 -6.841 4.265 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.892 -7.988 3.094 1.00 0.44 H new ATOM 0 HG13 VAL A 23 23.355 -7.064 2.675 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.375 -4.421 3.914 1.00 0.33 H new ATOM 0 HG22 VAL A 23 23.134 -4.527 2.308 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.527 -3.783 2.485 1.00 0.33 H new ATOM 363 N VAL A 24 19.306 -7.553 1.324 1.00 0.29 N ATOM 364 CA VAL A 24 18.508 -8.776 1.253 1.00 0.32 C ATOM 365 C VAL A 24 18.424 -9.320 -0.171 1.00 0.34 C ATOM 366 O VAL A 24 18.686 -10.496 -0.409 1.00 0.41 O ATOM 367 CB VAL A 24 17.074 -8.539 1.780 1.00 0.32 C ATOM 368 CG1 VAL A 24 16.267 -9.826 1.747 1.00 0.39 C ATOM 369 CG2 VAL A 24 17.098 -7.965 3.190 1.00 0.35 C ATOM 0 H VAL A 24 18.791 -6.740 1.662 1.00 0.29 H new ATOM 0 HA VAL A 24 19.013 -9.509 1.882 1.00 0.32 H new ATOM 0 HB VAL A 24 16.594 -7.813 1.124 1.00 0.32 H new ATOM 0 HG11 VAL A 24 15.262 -9.635 2.122 1.00 0.39 H new ATOM 0 HG12 VAL A 24 16.208 -10.192 0.722 1.00 0.39 H new ATOM 0 HG13 VAL A 24 16.751 -10.575 2.373 1.00 0.39 H new ATOM 0 HG21 VAL A 24 16.076 -7.808 3.536 1.00 0.35 H new ATOM 0 HG22 VAL A 24 17.605 -8.662 3.858 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.630 -7.014 3.187 1.00 0.35 H new ATOM 379 N ASN A 25 18.080 -8.457 -1.113 1.00 0.33 N ATOM 380 CA ASN A 25 17.933 -8.879 -2.507 1.00 0.42 C ATOM 381 C ASN A 25 19.184 -8.601 -3.339 1.00 0.76 C ATOM 382 O ASN A 25 19.216 -8.911 -4.530 1.00 0.94 O ATOM 383 CB ASN A 25 16.723 -8.189 -3.140 1.00 0.83 C ATOM 384 CG ASN A 25 15.482 -8.284 -2.275 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.753 -9.276 -2.309 1.00 1.72 O ATOM 386 ND2 ASN A 25 15.227 -7.242 -1.492 1.00 1.15 N ATOM 0 H ASN A 25 17.898 -7.467 -0.946 1.00 0.33 H new ATOM 0 HA ASN A 25 17.783 -9.959 -2.500 1.00 0.42 H new ATOM 0 HB2 ASN A 25 16.959 -7.140 -3.317 1.00 0.83 H new ATOM 0 HB3 ASN A 25 16.520 -8.639 -4.112 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.403 -7.245 -0.891 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.855 -6.438 -1.492 1.00 1.15 H new ATOM 393 N GLN A 26 20.209 -8.033 -2.706 1.00 1.08 N ATOM 394 CA GLN A 26 21.460 -7.706 -3.391 1.00 1.58 C ATOM 395 C GLN A 26 21.198 -6.770 -4.566 1.00 1.10 C ATOM 396 O GLN A 26 21.200 -7.185 -5.726 1.00 1.64 O ATOM 397 CB GLN A 26 22.162 -8.970 -3.883 1.00 2.64 C ATOM 398 CG GLN A 26 22.714 -9.837 -2.763 1.00 3.42 C ATOM 399 CD GLN A 26 23.864 -9.183 -2.026 1.00 4.28 C ATOM 400 OE1 GLN A 26 24.576 -8.339 -2.573 1.00 4.88 O ATOM 401 NE2 GLN A 26 24.051 -9.566 -0.777 1.00 4.73 N ATOM 0 H GLN A 26 20.198 -7.789 -1.716 1.00 1.08 H new ATOM 0 HA GLN A 26 22.111 -7.204 -2.675 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.460 -9.558 -4.474 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.978 -8.687 -4.547 1.00 2.64 H new ATOM 0 HG2 GLN A 26 21.915 -10.060 -2.056 1.00 3.42 H new ATOM 0 HG3 GLN A 26 23.048 -10.788 -3.177 1.00 3.42 H new ATOM 0 HE21 GLN A 26 23.439 -10.268 -0.362 1.00 4.73 H new ATOM 0 HE22 GLN A 26 24.808 -9.160 -0.227 1.00 4.73 H new ATOM 410 N ALA A 27 20.962 -5.505 -4.254 1.00 0.83 N ATOM 411 CA ALA A 27 20.676 -4.500 -5.269 1.00 1.50 C ATOM 412 C ALA A 27 21.790 -3.464 -5.352 1.00 1.34 C ATOM 413 O ALA A 27 21.561 -2.326 -5.781 1.00 2.01 O ATOM 414 CB ALA A 27 19.354 -3.826 -4.956 1.00 2.27 C ATOM 0 H ALA A 27 20.963 -5.147 -3.299 1.00 0.83 H new ATOM 0 HA ALA A 27 20.612 -4.996 -6.238 1.00 1.50 H new ATOM 0 HB1 ALA A 27 19.140 -3.074 -5.716 1.00 2.27 H new ATOM 0 HB2 ALA A 27 18.558 -4.571 -4.949 1.00 2.27 H new ATOM 0 HB3 ALA A 27 19.412 -3.348 -3.978 1.00 2.27 H new ATOM 420 N SER A 28 22.991 -3.871 -4.941 1.00 1.04 N ATOM 421 CA SER A 28 24.161 -2.998 -4.951 1.00 0.84 C ATOM 422 C SER A 28 23.930 -1.757 -4.084 1.00 0.71 C ATOM 423 O SER A 28 22.986 -1.706 -3.298 1.00 0.73 O ATOM 424 CB SER A 28 24.504 -2.595 -6.386 1.00 0.91 C ATOM 425 OG SER A 28 25.876 -2.254 -6.512 1.00 1.52 O ATOM 0 H SER A 28 23.178 -4.812 -4.593 1.00 1.04 H new ATOM 0 HA SER A 28 25.002 -3.548 -4.529 1.00 0.84 H new ATOM 0 HB2 SER A 28 24.267 -3.416 -7.063 1.00 0.91 H new ATOM 0 HB3 SER A 28 23.887 -1.747 -6.685 1.00 0.91 H new ATOM 0 HG SER A 28 26.067 -2.002 -7.440 1.00 1.52 H new ATOM 431 N HIS A 29 24.799 -0.754 -4.237 1.00 0.61 N ATOM 432 CA HIS A 29 24.708 0.485 -3.477 1.00 0.53 C ATOM 433 C HIS A 29 24.834 0.248 -1.972 1.00 0.59 C ATOM 434 O HIS A 29 24.291 1.016 -1.178 1.00 0.76 O ATOM 435 CB HIS A 29 23.403 1.225 -3.732 1.00 0.50 C ATOM 436 CG HIS A 29 23.026 1.460 -5.159 1.00 0.50 C ATOM 437 ND1 HIS A 29 23.396 0.857 -6.316 1.00 0.46 N flip ATOM 438 CD2 HIS A 29 22.166 2.465 -5.514 1.00 0.64 C flip ATOM 439 CE1 HIS A 29 22.752 1.516 -7.338 1.00 0.53 C flip ATOM 440 NE2 HIS A 29 22.016 2.482 -6.814 1.00 0.63 N flip ATOM 0 H HIS A 29 25.582 -0.783 -4.891 1.00 0.61 H new ATOM 0 HA HIS A 29 25.543 1.094 -3.823 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.597 0.666 -3.256 1.00 0.50 H new ATOM 0 HB3 HIS A 29 23.458 2.192 -3.232 1.00 0.50 H new ATOM 0 HD2 HIS A 29 21.684 3.142 -4.824 1.00 0.64 H new ATOM 0 HE1 HIS A 29 22.834 1.284 -8.390 1.00 0.53 H new ATOM 0 HE2 HIS A 29 21.429 3.132 -7.336 1.00 0.63 H new ATOM 449 N VAL A 30 25.534 -0.809 -1.577 1.00 0.66 N ATOM 450 CA VAL A 30 25.714 -1.107 -0.163 1.00 0.76 C ATOM 451 C VAL A 30 27.167 -1.420 0.135 1.00 0.72 C ATOM 452 O VAL A 30 27.845 -2.089 -0.648 1.00 0.78 O ATOM 453 CB VAL A 30 24.857 -2.295 0.321 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.752 -2.279 1.838 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.476 -2.267 -0.298 1.00 1.16 C ATOM 0 H VAL A 30 25.983 -1.469 -2.212 1.00 0.66 H new ATOM 0 HA VAL A 30 25.390 -0.213 0.370 1.00 0.76 H new ATOM 0 HB VAL A 30 25.348 -3.215 0.004 1.00 0.94 H new ATOM 0 HG11 VAL A 30 24.145 -3.121 2.170 1.00 1.01 H new ATOM 0 HG12 VAL A 30 25.749 -2.356 2.273 1.00 1.01 H new ATOM 0 HG13 VAL A 30 24.287 -1.348 2.161 1.00 1.01 H new ATOM 0 HG21 VAL A 30 22.898 -3.117 0.064 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.972 -1.341 -0.021 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.562 -2.322 -1.383 1.00 1.16 H new ATOM 465 N SER A 31 27.631 -0.934 1.271 1.00 0.71 N ATOM 466 CA SER A 31 28.997 -1.158 1.709 1.00 0.76 C ATOM 467 C SER A 31 29.026 -2.268 2.753 1.00 0.83 C ATOM 468 O SER A 31 27.978 -2.679 3.256 1.00 1.30 O ATOM 469 CB SER A 31 29.577 0.138 2.278 1.00 0.75 C ATOM 470 OG SER A 31 28.560 0.923 2.875 1.00 0.74 O ATOM 0 H SER A 31 27.073 -0.374 1.916 1.00 0.71 H new ATOM 0 HA SER A 31 29.607 -1.465 0.860 1.00 0.76 H new ATOM 0 HB2 SER A 31 30.344 -0.095 3.017 1.00 0.75 H new ATOM 0 HB3 SER A 31 30.061 0.705 1.483 1.00 0.75 H new ATOM 0 HG SER A 31 27.968 0.346 3.401 1.00 0.74 H new ATOM 476 N ALA A 32 30.212 -2.748 3.093 1.00 0.86 N ATOM 477 CA ALA A 32 30.339 -3.812 4.076 1.00 0.86 C ATOM 478 C ALA A 32 29.823 -3.365 5.437 1.00 0.75 C ATOM 479 O ALA A 32 29.193 -4.137 6.157 1.00 0.69 O ATOM 480 CB ALA A 32 31.784 -4.263 4.184 1.00 1.06 C ATOM 0 H ALA A 32 31.096 -2.420 2.705 1.00 0.86 H new ATOM 0 HA ALA A 32 29.731 -4.653 3.742 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.862 -5.060 4.924 1.00 1.06 H new ATOM 0 HB2 ALA A 32 32.123 -4.632 3.216 1.00 1.06 H new ATOM 0 HB3 ALA A 32 32.406 -3.422 4.490 1.00 1.06 H new ATOM 486 N LYS A 33 30.065 -2.101 5.763 1.00 0.80 N ATOM 487 CA LYS A 33 29.639 -1.533 7.038 1.00 0.78 C ATOM 488 C LYS A 33 28.132 -1.678 7.246 1.00 0.67 C ATOM 489 O LYS A 33 27.676 -2.154 8.289 1.00 0.69 O ATOM 490 CB LYS A 33 30.008 -0.046 7.114 1.00 0.94 C ATOM 491 CG LYS A 33 31.269 0.337 6.354 1.00 1.53 C ATOM 492 CD LYS A 33 31.572 1.820 6.509 1.00 1.99 C ATOM 493 CE LYS A 33 32.841 2.222 5.775 1.00 2.99 C ATOM 494 NZ LYS A 33 33.141 3.669 5.952 1.00 3.39 N ATOM 0 H LYS A 33 30.558 -1.445 5.157 1.00 0.80 H new ATOM 0 HA LYS A 33 30.156 -2.086 7.822 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.175 0.541 6.727 1.00 0.94 H new ATOM 0 HB3 LYS A 33 30.134 0.230 8.161 1.00 0.94 H new ATOM 0 HG2 LYS A 33 32.111 -0.250 6.721 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.148 0.096 5.298 1.00 1.53 H new ATOM 0 HD2 LYS A 33 30.733 2.403 6.129 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.674 2.061 7.567 1.00 1.99 H new ATOM 0 HE2 LYS A 33 33.678 1.629 6.143 1.00 2.99 H new ATOM 0 HE3 LYS A 33 32.734 1.999 4.713 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 34.013 3.908 5.438 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 32.353 4.235 5.579 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 33.267 3.876 6.963 1.00 3.39 H new ATOM 508 N THR A 34 27.366 -1.276 6.245 1.00 0.61 N ATOM 509 CA THR A 34 25.915 -1.327 6.323 1.00 0.54 C ATOM 510 C THR A 34 25.369 -2.733 6.085 1.00 0.51 C ATOM 511 O THR A 34 24.356 -3.114 6.667 1.00 0.49 O ATOM 512 CB THR A 34 25.281 -0.359 5.312 1.00 0.53 C ATOM 513 OG1 THR A 34 26.203 -0.100 4.245 1.00 0.65 O ATOM 514 CG2 THR A 34 24.898 0.951 5.984 1.00 0.56 C ATOM 0 H THR A 34 27.727 -0.909 5.365 1.00 0.61 H new ATOM 0 HA THR A 34 25.649 -1.028 7.337 1.00 0.54 H new ATOM 0 HB THR A 34 24.378 -0.821 4.913 1.00 0.53 H new ATOM 0 HG1 THR A 34 25.794 0.516 3.602 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.451 1.620 5.249 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.180 0.755 6.780 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.788 1.418 6.405 1.00 0.56 H new ATOM 522 N ARG A 35 26.039 -3.511 5.249 1.00 0.51 N ATOM 523 CA ARG A 35 25.578 -4.866 4.955 1.00 0.51 C ATOM 524 C ARG A 35 25.610 -5.740 6.201 1.00 0.52 C ATOM 525 O ARG A 35 24.638 -6.432 6.515 1.00 0.52 O ATOM 526 CB ARG A 35 26.426 -5.499 3.851 1.00 0.53 C ATOM 527 CG ARG A 35 25.973 -6.901 3.466 1.00 0.70 C ATOM 528 CD ARG A 35 26.840 -7.484 2.370 1.00 0.79 C ATOM 529 NE ARG A 35 28.219 -7.679 2.810 1.00 1.64 N ATOM 530 CZ ARG A 35 29.271 -7.117 2.222 1.00 2.19 C ATOM 531 NH1 ARG A 35 29.103 -6.339 1.164 1.00 2.09 N ATOM 532 NH2 ARG A 35 30.491 -7.336 2.695 1.00 3.31 N ATOM 0 H ARG A 35 26.894 -3.235 4.766 1.00 0.51 H new ATOM 0 HA ARG A 35 24.546 -4.796 4.610 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.395 -4.860 2.968 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.465 -5.539 4.179 1.00 0.53 H new ATOM 0 HG2 ARG A 35 26.008 -7.549 4.342 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.936 -6.870 3.133 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.424 -8.438 2.047 1.00 0.79 H new ATOM 0 HD3 ARG A 35 26.826 -6.821 1.505 1.00 0.79 H new ATOM 0 HE ARG A 35 28.385 -8.282 3.616 1.00 1.64 H new ATOM 0 HH11 ARG A 35 28.166 -6.170 0.799 1.00 2.09 H new ATOM 0 HH12 ARG A 35 29.911 -5.909 0.714 1.00 2.09 H new ATOM 0 HH21 ARG A 35 30.622 -7.936 3.510 1.00 3.31 H new ATOM 0 HH22 ARG A 35 31.298 -6.905 2.244 1.00 3.31 H new ATOM 546 N GLU A 36 26.712 -5.665 6.929 1.00 0.56 N ATOM 547 CA GLU A 36 26.896 -6.473 8.128 1.00 0.58 C ATOM 548 C GLU A 36 25.947 -6.081 9.254 1.00 0.54 C ATOM 549 O GLU A 36 25.621 -6.905 10.110 1.00 0.61 O ATOM 550 CB GLU A 36 28.335 -6.374 8.614 1.00 0.67 C ATOM 551 CG GLU A 36 29.344 -6.852 7.595 1.00 0.70 C ATOM 552 CD GLU A 36 30.749 -6.928 8.160 1.00 0.85 C ATOM 553 OE1 GLU A 36 31.009 -6.287 9.205 1.00 1.39 O ATOM 554 OE2 GLU A 36 31.599 -7.633 7.573 1.00 1.45 O ATOM 0 H GLU A 36 27.497 -5.051 6.711 1.00 0.56 H new ATOM 0 HA GLU A 36 26.665 -7.502 7.852 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.553 -5.338 8.873 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.444 -6.960 9.526 1.00 0.67 H new ATOM 0 HG2 GLU A 36 29.049 -7.836 7.230 1.00 0.70 H new ATOM 0 HG3 GLU A 36 29.337 -6.179 6.738 1.00 0.70 H new ATOM 561 N LYS A 37 25.497 -4.836 9.260 1.00 0.49 N ATOM 562 CA LYS A 37 24.602 -4.381 10.310 1.00 0.47 C ATOM 563 C LYS A 37 23.163 -4.726 9.965 1.00 0.39 C ATOM 564 O LYS A 37 22.346 -4.966 10.849 1.00 0.38 O ATOM 565 CB LYS A 37 24.769 -2.882 10.578 1.00 0.52 C ATOM 566 CG LYS A 37 24.360 -1.973 9.431 1.00 0.86 C ATOM 567 CD LYS A 37 24.294 -0.517 9.872 1.00 0.84 C ATOM 568 CE LYS A 37 25.595 -0.062 10.515 1.00 0.73 C ATOM 569 NZ LYS A 37 25.406 1.171 11.323 1.00 0.98 N ATOM 0 H LYS A 37 25.733 -4.132 8.560 1.00 0.49 H new ATOM 0 HA LYS A 37 24.866 -4.902 11.231 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.182 -2.618 11.457 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.813 -2.686 10.822 1.00 0.52 H new ATOM 0 HG2 LYS A 37 25.072 -2.075 8.612 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.388 -2.283 9.048 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.074 0.114 9.011 1.00 0.84 H new ATOM 0 HD3 LYS A 37 23.475 -0.388 10.579 1.00 0.84 H new ATOM 0 HE2 LYS A 37 25.985 -0.857 11.150 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.340 0.121 9.740 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 26.314 1.451 11.746 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.058 1.937 10.712 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 24.714 0.989 12.078 1.00 0.98 H new ATOM 583 N VAL A 38 22.864 -4.780 8.676 1.00 0.36 N ATOM 584 CA VAL A 38 21.523 -5.119 8.225 1.00 0.31 C ATOM 585 C VAL A 38 21.267 -6.603 8.443 1.00 0.32 C ATOM 586 O VAL A 38 20.221 -6.998 8.962 1.00 0.31 O ATOM 587 CB VAL A 38 21.312 -4.771 6.737 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.999 -5.347 6.226 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.347 -3.267 6.542 1.00 0.30 C ATOM 0 H VAL A 38 23.530 -4.594 7.926 1.00 0.36 H new ATOM 0 HA VAL A 38 20.818 -4.528 8.810 1.00 0.31 H new ATOM 0 HB VAL A 38 22.122 -5.218 6.160 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.873 -5.088 5.175 1.00 0.26 H new ATOM 0 HG12 VAL A 38 20.011 -6.432 6.334 1.00 0.26 H new ATOM 0 HG13 VAL A 38 19.172 -4.934 6.803 1.00 0.26 H new ATOM 0 HG21 VAL A 38 21.197 -3.033 5.488 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.556 -2.805 7.132 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.314 -2.881 6.865 1.00 0.30 H new ATOM 599 N GLU A 39 22.249 -7.419 8.073 1.00 0.36 N ATOM 600 CA GLU A 39 22.146 -8.861 8.233 1.00 0.39 C ATOM 601 C GLU A 39 22.158 -9.219 9.714 1.00 0.41 C ATOM 602 O GLU A 39 21.673 -10.274 10.122 1.00 0.43 O ATOM 603 CB GLU A 39 23.287 -9.567 7.499 1.00 0.44 C ATOM 604 CG GLU A 39 23.283 -9.323 6.000 1.00 0.55 C ATOM 605 CD GLU A 39 24.221 -10.249 5.259 1.00 0.82 C ATOM 606 OE1 GLU A 39 25.443 -10.183 5.502 1.00 1.44 O ATOM 607 OE2 GLU A 39 23.734 -11.060 4.441 1.00 1.59 O ATOM 0 H GLU A 39 23.126 -7.103 7.660 1.00 0.36 H new ATOM 0 HA GLU A 39 21.205 -9.197 7.797 1.00 0.39 H new ATOM 0 HB2 GLU A 39 24.238 -9.230 7.912 1.00 0.44 H new ATOM 0 HB3 GLU A 39 23.221 -10.639 7.685 1.00 0.44 H new ATOM 0 HG2 GLU A 39 22.271 -9.454 5.617 1.00 0.55 H new ATOM 0 HG3 GLU A 39 23.567 -8.289 5.803 1.00 0.55 H new ATOM 614 N ALA A 40 22.715 -8.322 10.517 1.00 0.43 N ATOM 615 CA ALA A 40 22.780 -8.512 11.953 1.00 0.46 C ATOM 616 C ALA A 40 21.445 -8.160 12.590 1.00 0.41 C ATOM 617 O ALA A 40 20.944 -8.882 13.449 1.00 0.43 O ATOM 618 CB ALA A 40 23.890 -7.663 12.552 1.00 0.52 C ATOM 0 H ALA A 40 23.131 -7.450 10.191 1.00 0.43 H new ATOM 0 HA ALA A 40 22.999 -9.560 12.155 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.925 -7.818 13.630 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.845 -7.951 12.113 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.697 -6.611 12.342 1.00 0.52 H new ATOM 624 N ALA A 41 20.861 -7.055 12.138 1.00 0.37 N ATOM 625 CA ALA A 41 19.586 -6.583 12.665 1.00 0.34 C ATOM 626 C ALA A 41 18.452 -7.532 12.293 1.00 0.31 C ATOM 627 O ALA A 41 17.553 -7.782 13.097 1.00 0.34 O ATOM 628 CB ALA A 41 19.288 -5.178 12.158 1.00 0.31 C ATOM 0 H ALA A 41 21.254 -6.467 11.403 1.00 0.37 H new ATOM 0 HA ALA A 41 19.661 -6.556 13.752 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.333 -4.841 12.561 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.078 -4.500 12.481 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.240 -5.187 11.069 1.00 0.31 H new ATOM 634 N MET A 42 18.506 -8.071 11.078 1.00 0.28 N ATOM 635 CA MET A 42 17.476 -8.998 10.612 1.00 0.29 C ATOM 636 C MET A 42 17.605 -10.347 11.311 1.00 0.35 C ATOM 637 O MET A 42 16.713 -11.191 11.227 1.00 0.39 O ATOM 638 CB MET A 42 17.554 -9.170 9.092 1.00 0.27 C ATOM 639 CG MET A 42 18.737 -9.997 8.627 1.00 0.33 C ATOM 640 SD MET A 42 18.648 -10.433 6.877 1.00 0.35 S ATOM 641 CE MET A 42 19.002 -8.849 6.122 1.00 0.33 C ATOM 0 H MET A 42 19.246 -7.884 10.401 1.00 0.28 H new ATOM 0 HA MET A 42 16.502 -8.577 10.862 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.635 -9.640 8.742 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.606 -8.186 8.627 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.657 -9.441 8.811 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.791 -10.909 9.221 1.00 0.33 H new ATOM 0 HE1 MET A 42 19.433 -9.005 5.133 1.00 0.33 H new ATOM 0 HE2 MET A 42 18.080 -8.276 6.029 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.709 -8.300 6.743 1.00 0.33 H new ATOM 651 N ALA A 43 18.713 -10.533 12.013 1.00 0.40 N ATOM 652 CA ALA A 43 18.962 -11.767 12.744 1.00 0.47 C ATOM 653 C ALA A 43 18.495 -11.620 14.184 1.00 0.48 C ATOM 654 O ALA A 43 18.157 -12.597 14.845 1.00 0.53 O ATOM 655 CB ALA A 43 20.440 -12.127 12.697 1.00 0.52 C ATOM 0 H ALA A 43 19.458 -9.841 12.092 1.00 0.40 H new ATOM 0 HA ALA A 43 18.400 -12.573 12.273 1.00 0.47 H new ATOM 0 HB1 ALA A 43 20.607 -13.052 13.249 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.749 -12.262 11.660 1.00 0.52 H new ATOM 0 HB3 ALA A 43 21.024 -11.325 13.148 1.00 0.52 H new ATOM 661 N GLU A 44 18.490 -10.381 14.660 1.00 0.46 N ATOM 662 CA GLU A 44 18.053 -10.073 16.012 1.00 0.46 C ATOM 663 C GLU A 44 16.549 -10.236 16.139 1.00 0.45 C ATOM 664 O GLU A 44 16.049 -11.092 16.872 1.00 0.48 O ATOM 665 CB GLU A 44 18.412 -8.632 16.360 1.00 0.45 C ATOM 666 CG GLU A 44 19.894 -8.337 16.309 1.00 0.51 C ATOM 667 CD GLU A 44 20.678 -9.109 17.346 1.00 0.63 C ATOM 668 OE1 GLU A 44 20.181 -9.261 18.483 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.793 -9.567 17.026 1.00 1.36 O ATOM 0 H GLU A 44 18.787 -9.567 14.122 1.00 0.46 H new ATOM 0 HA GLU A 44 18.554 -10.762 16.693 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.895 -7.963 15.672 1.00 0.45 H new ATOM 0 HB3 GLU A 44 18.042 -8.408 17.360 1.00 0.45 H new ATOM 0 HG2 GLU A 44 20.275 -8.579 15.317 1.00 0.51 H new ATOM 0 HG3 GLU A 44 20.053 -7.269 16.459 1.00 0.51 H new ATOM 676 N LEU A 45 15.843 -9.410 15.389 1.00 0.42 N ATOM 677 CA LEU A 45 14.388 -9.390 15.403 1.00 0.44 C ATOM 678 C LEU A 45 13.798 -10.585 14.658 1.00 0.48 C ATOM 679 O LEU A 45 12.600 -10.846 14.756 1.00 0.52 O ATOM 680 CB LEU A 45 13.899 -8.089 14.763 1.00 0.49 C ATOM 681 CG LEU A 45 14.727 -6.848 15.118 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.780 -5.895 13.936 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.158 -6.149 16.346 1.00 1.88 C ATOM 0 H LEU A 45 16.261 -8.732 14.751 1.00 0.42 H new ATOM 0 HA LEU A 45 14.056 -9.451 16.439 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.899 -8.211 13.680 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.866 -7.918 15.065 1.00 0.49 H new ATOM 0 HG LEU A 45 15.742 -7.168 15.353 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.371 -5.018 14.202 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.239 -6.397 13.084 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.769 -5.585 13.673 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.762 -5.272 16.578 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.132 -5.840 16.146 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.172 -6.834 17.194 1.00 1.88 H new ATOM 695 N ASN A 46 14.655 -11.316 13.934 1.00 0.49 N ATOM 696 CA ASN A 46 14.230 -12.474 13.138 1.00 0.54 C ATOM 697 C ASN A 46 13.347 -12.008 11.986 1.00 0.51 C ATOM 698 O ASN A 46 12.151 -12.305 11.927 1.00 0.60 O ATOM 699 CB ASN A 46 13.493 -13.510 13.991 1.00 0.62 C ATOM 700 CG ASN A 46 14.350 -14.047 15.115 1.00 1.22 C ATOM 701 OD1 ASN A 46 15.506 -14.419 14.911 1.00 2.01 O ATOM 702 ND2 ASN A 46 13.795 -14.070 16.319 1.00 1.90 N ATOM 0 H ASN A 46 15.655 -11.123 13.883 1.00 0.49 H new ATOM 0 HA ASN A 46 15.122 -12.957 12.740 1.00 0.54 H new ATOM 0 HB2 ASN A 46 12.593 -13.059 14.408 1.00 0.62 H new ATOM 0 HB3 ASN A 46 13.171 -14.336 13.357 1.00 0.62 H new ATOM 0 HD21 ASN A 46 14.329 -14.405 17.121 1.00 1.90 H new ATOM 0 HD22 ASN A 46 12.834 -13.752 16.444 1.00 1.90 H new ATOM 709 N TYR A 47 13.960 -11.265 11.083 1.00 0.42 N ATOM 710 CA TYR A 47 13.282 -10.705 9.925 1.00 0.39 C ATOM 711 C TYR A 47 12.975 -11.777 8.883 1.00 0.49 C ATOM 712 O TYR A 47 13.825 -12.604 8.554 1.00 0.58 O ATOM 713 CB TYR A 47 14.162 -9.607 9.332 1.00 0.27 C ATOM 714 CG TYR A 47 13.756 -9.127 7.957 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.451 -8.743 7.682 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.696 -9.039 6.940 1.00 1.07 C ATOM 717 CE1 TYR A 47 12.092 -8.286 6.431 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.344 -8.585 5.685 1.00 1.08 C ATOM 719 CZ TYR A 47 13.041 -8.209 5.436 1.00 0.23 C ATOM 720 OH TYR A 47 12.686 -7.747 4.191 1.00 0.24 O ATOM 0 H TYR A 47 14.951 -11.030 11.132 1.00 0.42 H new ATOM 0 HA TYR A 47 12.325 -10.286 10.237 1.00 0.39 H new ATOM 0 HB2 TYR A 47 14.159 -8.755 10.012 1.00 0.27 H new ATOM 0 HB3 TYR A 47 15.188 -9.973 9.283 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.704 -8.803 8.460 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.718 -9.330 7.133 1.00 1.07 H new ATOM 0 HE1 TYR A 47 11.072 -7.990 6.233 1.00 1.16 H new ATOM 0 HE2 TYR A 47 15.085 -8.525 4.902 1.00 1.08 H new ATOM 0 HH TYR A 47 13.471 -7.753 3.604 1.00 0.24 H new ATOM 730 N ILE A 48 11.750 -11.751 8.371 1.00 0.56 N ATOM 731 CA ILE A 48 11.324 -12.707 7.360 1.00 0.66 C ATOM 732 C ILE A 48 11.015 -11.986 6.050 1.00 0.52 C ATOM 733 O ILE A 48 9.987 -11.316 5.938 1.00 0.55 O ATOM 734 CB ILE A 48 10.061 -13.490 7.792 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.998 -13.654 9.320 1.00 1.16 C ATOM 736 CG2 ILE A 48 10.017 -14.851 7.102 1.00 0.98 C ATOM 737 CD1 ILE A 48 11.041 -14.596 9.887 1.00 1.01 C ATOM 0 H ILE A 48 11.034 -11.076 8.641 1.00 0.56 H new ATOM 0 HA ILE A 48 12.145 -13.412 7.229 1.00 0.66 H new ATOM 0 HB ILE A 48 9.188 -12.914 7.485 1.00 0.91 H new ATOM 0 HG12 ILE A 48 10.118 -12.675 9.784 1.00 1.16 H new ATOM 0 HG13 ILE A 48 9.008 -14.018 9.595 1.00 1.16 H new ATOM 0 HG21 ILE A 48 9.123 -15.389 7.416 1.00 0.98 H new ATOM 0 HG22 ILE A 48 9.995 -14.711 6.021 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.902 -15.426 7.375 1.00 0.98 H new ATOM 0 HD11 ILE A 48 10.928 -14.655 10.969 1.00 1.01 H new ATOM 0 HD12 ILE A 48 10.910 -15.587 9.454 1.00 1.01 H new ATOM 0 HD13 ILE A 48 12.037 -14.224 9.646 1.00 1.01 H new ATOM 749 N PRO A 49 11.911 -12.097 5.053 1.00 0.44 N ATOM 750 CA PRO A 49 11.727 -11.458 3.746 1.00 0.35 C ATOM 751 C PRO A 49 10.435 -11.917 3.076 1.00 0.39 C ATOM 752 O PRO A 49 10.159 -13.111 2.995 1.00 0.49 O ATOM 753 CB PRO A 49 12.944 -11.923 2.938 1.00 0.40 C ATOM 754 CG PRO A 49 13.953 -12.314 3.959 1.00 0.51 C ATOM 755 CD PRO A 49 13.172 -12.857 5.119 1.00 0.55 C ATOM 0 HA PRO A 49 11.651 -10.373 3.824 1.00 0.35 H new ATOM 0 HB2 PRO A 49 12.691 -12.762 2.290 1.00 0.40 H new ATOM 0 HB3 PRO A 49 13.320 -11.127 2.296 1.00 0.40 H new ATOM 0 HG2 PRO A 49 14.639 -13.064 3.564 1.00 0.51 H new ATOM 0 HG3 PRO A 49 14.556 -11.458 4.260 1.00 0.51 H new ATOM 0 HD2 PRO A 49 13.002 -13.930 5.025 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.690 -12.698 6.065 1.00 0.55 H new ATOM 763 N ASN A 50 9.652 -10.965 2.600 1.00 0.40 N ATOM 764 CA ASN A 50 8.380 -11.277 1.964 1.00 0.45 C ATOM 765 C ASN A 50 8.512 -11.437 0.459 1.00 0.49 C ATOM 766 O ASN A 50 8.789 -10.477 -0.261 1.00 0.54 O ATOM 767 CB ASN A 50 7.344 -10.199 2.274 1.00 0.45 C ATOM 768 CG ASN A 50 6.780 -10.333 3.668 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.841 -11.093 3.905 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.342 -9.585 4.596 1.00 0.46 N ATOM 0 H ASN A 50 9.872 -9.970 2.641 1.00 0.40 H new ATOM 0 HA ASN A 50 8.050 -12.231 2.375 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.801 -9.216 2.162 1.00 0.45 H new ATOM 0 HB3 ASN A 50 6.533 -10.258 1.549 1.00 0.45 H new ATOM 0 HD21 ASN A 50 7.001 -9.622 5.556 1.00 0.46 H new ATOM 0 HD22 ASN A 50 8.118 -8.969 4.354 1.00 0.46 H new ATOM 777 N ARG A 51 8.285 -12.657 -0.011 1.00 0.51 N ATOM 778 CA ARG A 51 8.353 -12.959 -1.435 1.00 0.57 C ATOM 779 C ARG A 51 7.085 -12.465 -2.123 1.00 0.56 C ATOM 780 O ARG A 51 7.071 -12.227 -3.327 1.00 0.59 O ATOM 781 CB ARG A 51 8.525 -14.467 -1.661 1.00 0.63 C ATOM 782 CG ARG A 51 9.962 -14.959 -1.505 1.00 1.42 C ATOM 783 CD ARG A 51 10.401 -14.994 -0.052 1.00 2.25 C ATOM 784 NE ARG A 51 9.563 -15.878 0.757 1.00 3.08 N ATOM 785 CZ ARG A 51 9.896 -16.299 1.977 1.00 4.17 C ATOM 786 NH1 ARG A 51 11.080 -15.971 2.493 1.00 4.66 N ATOM 787 NH2 ARG A 51 9.058 -17.065 2.669 1.00 5.04 N ATOM 0 H ARG A 51 8.051 -13.457 0.577 1.00 0.51 H new ATOM 0 HA ARG A 51 9.217 -12.450 -1.862 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.890 -15.004 -0.957 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.173 -14.716 -2.662 1.00 0.63 H new ATOM 0 HG2 ARG A 51 10.051 -15.957 -1.934 1.00 1.42 H new ATOM 0 HG3 ARG A 51 10.630 -14.309 -2.069 1.00 1.42 H new ATOM 0 HD2 ARG A 51 11.438 -15.326 0.005 1.00 2.25 H new ATOM 0 HD3 ARG A 51 10.367 -13.986 0.361 1.00 2.25 H new ATOM 0 HE ARG A 51 8.674 -16.190 0.366 1.00 3.08 H new ATOM 0 HH11 ARG A 51 11.730 -15.398 1.954 1.00 4.66 H new ATOM 0 HH12 ARG A 51 11.336 -16.292 3.427 1.00 4.66 H new ATOM 0 HH21 ARG A 51 8.159 -17.331 2.266 1.00 5.04 H new ATOM 0 HH22 ARG A 51 9.314 -17.387 3.603 1.00 5.04 H new ATOM 801 N CYS A 52 6.027 -12.293 -1.339 1.00 0.55 N ATOM 802 CA CYS A 52 4.759 -11.819 -1.863 1.00 0.55 C ATOM 803 C CYS A 52 4.868 -10.342 -2.194 1.00 0.52 C ATOM 804 O CYS A 52 4.638 -9.924 -3.333 1.00 0.57 O ATOM 805 CB CYS A 52 3.648 -12.057 -0.840 1.00 0.56 C ATOM 806 SG CYS A 52 2.316 -10.817 -0.872 1.00 0.83 S ATOM 0 H CYS A 52 6.026 -12.476 -0.336 1.00 0.55 H new ATOM 0 HA CYS A 52 4.514 -12.369 -2.772 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.215 -13.042 -1.015 1.00 0.56 H new ATOM 0 HB3 CYS A 52 4.087 -12.075 0.157 1.00 0.56 H new ATOM 811 N ALA A 53 5.239 -9.558 -1.190 1.00 0.45 N ATOM 812 CA ALA A 53 5.401 -8.127 -1.351 1.00 0.43 C ATOM 813 C ALA A 53 6.427 -7.833 -2.434 1.00 0.43 C ATOM 814 O ALA A 53 6.350 -6.815 -3.113 1.00 0.44 O ATOM 815 CB ALA A 53 5.782 -7.509 -0.035 1.00 0.41 C ATOM 0 H ALA A 53 5.434 -9.898 -0.248 1.00 0.45 H new ATOM 0 HA ALA A 53 4.457 -7.684 -1.668 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.903 -6.433 -0.160 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.999 -7.704 0.698 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.720 -7.942 0.312 1.00 0.41 H new ATOM 821 N GLN A 54 7.368 -8.756 -2.601 1.00 0.45 N ATOM 822 CA GLN A 54 8.401 -8.638 -3.619 1.00 0.48 C ATOM 823 C GLN A 54 7.766 -8.708 -5.006 1.00 0.51 C ATOM 824 O GLN A 54 8.158 -7.986 -5.924 1.00 0.55 O ATOM 825 CB GLN A 54 9.427 -9.762 -3.439 1.00 0.50 C ATOM 826 CG GLN A 54 10.345 -9.969 -4.631 1.00 0.74 C ATOM 827 CD GLN A 54 11.796 -9.682 -4.314 1.00 0.82 C ATOM 828 OE1 GLN A 54 12.580 -9.321 -5.195 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.169 -9.840 -3.054 1.00 1.07 N ATOM 0 H GLN A 54 7.435 -9.603 -2.036 1.00 0.45 H new ATOM 0 HA GLN A 54 8.909 -7.679 -3.517 1.00 0.48 H new ATOM 0 HB2 GLN A 54 10.035 -9.545 -2.561 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.897 -10.693 -3.238 1.00 0.50 H new ATOM 0 HG2 GLN A 54 10.251 -10.997 -4.981 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.022 -9.324 -5.448 1.00 0.74 H new ATOM 0 HE21 GLN A 54 11.490 -10.140 -2.355 1.00 1.07 H new ATOM 0 HE22 GLN A 54 13.136 -9.662 -2.782 1.00 1.07 H new ATOM 838 N GLN A 55 6.769 -9.572 -5.143 1.00 0.52 N ATOM 839 CA GLN A 55 6.068 -9.736 -6.406 1.00 0.57 C ATOM 840 C GLN A 55 5.178 -8.531 -6.693 1.00 0.58 C ATOM 841 O GLN A 55 4.985 -8.151 -7.845 1.00 0.74 O ATOM 842 CB GLN A 55 5.226 -11.011 -6.382 1.00 0.62 C ATOM 843 CG GLN A 55 6.039 -12.284 -6.534 1.00 0.65 C ATOM 844 CD GLN A 55 5.210 -13.536 -6.307 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.293 -13.553 -5.481 1.00 1.83 O ATOM 846 NE2 GLN A 55 5.518 -14.591 -7.047 1.00 2.01 N ATOM 0 H GLN A 55 6.428 -10.171 -4.391 1.00 0.52 H new ATOM 0 HA GLN A 55 6.811 -9.814 -7.199 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.674 -11.053 -5.443 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.489 -10.964 -7.183 1.00 0.62 H new ATOM 0 HG2 GLN A 55 6.473 -12.316 -7.533 1.00 0.65 H new ATOM 0 HG3 GLN A 55 6.868 -12.268 -5.826 1.00 0.65 H new ATOM 0 HE21 GLN A 55 6.283 -14.537 -7.719 1.00 2.01 H new ATOM 0 HE22 GLN A 55 4.990 -15.457 -6.945 1.00 2.01 H new ATOM 855 N LEU A 56 4.634 -7.942 -5.635 1.00 0.51 N ATOM 856 CA LEU A 56 3.764 -6.779 -5.761 1.00 0.50 C ATOM 857 C LEU A 56 4.575 -5.510 -6.020 1.00 0.47 C ATOM 858 O LEU A 56 4.284 -4.757 -6.945 1.00 0.48 O ATOM 859 CB LEU A 56 2.924 -6.601 -4.490 1.00 0.49 C ATOM 860 CG LEU A 56 1.716 -5.682 -4.640 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.623 -6.385 -5.422 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.195 -5.246 -3.286 1.00 0.48 C ATOM 0 H LEU A 56 4.781 -8.253 -4.675 1.00 0.51 H new ATOM 0 HA LEU A 56 3.103 -6.949 -6.611 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.578 -7.581 -4.161 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.565 -6.208 -3.701 1.00 0.49 H new ATOM 0 HG LEU A 56 2.028 -4.791 -5.185 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.236 -5.721 -5.524 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.996 -6.650 -6.411 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.322 -7.289 -4.893 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.334 -4.592 -3.421 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.898 -6.123 -2.711 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.978 -4.709 -2.750 1.00 0.48 H new ATOM 874 N ALA A 57 5.596 -5.290 -5.202 1.00 0.45 N ATOM 875 CA ALA A 57 6.449 -4.110 -5.321 1.00 0.44 C ATOM 876 C ALA A 57 7.214 -4.091 -6.638 1.00 0.46 C ATOM 877 O ALA A 57 7.415 -3.035 -7.237 1.00 0.49 O ATOM 878 CB ALA A 57 7.418 -4.050 -4.152 1.00 0.44 C ATOM 0 H ALA A 57 5.857 -5.918 -4.442 1.00 0.45 H new ATOM 0 HA ALA A 57 5.803 -3.232 -5.305 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.050 -3.167 -4.248 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.859 -3.995 -3.218 1.00 0.44 H new ATOM 0 HB3 ALA A 57 8.041 -4.944 -4.150 1.00 0.44 H new ATOM 884 N GLY A 58 7.645 -5.260 -7.083 1.00 0.53 N ATOM 885 CA GLY A 58 8.386 -5.346 -8.322 1.00 0.61 C ATOM 886 C GLY A 58 7.484 -5.449 -9.536 1.00 0.94 C ATOM 887 O GLY A 58 7.964 -5.636 -10.656 1.00 1.14 O ATOM 0 H GLY A 58 7.495 -6.150 -6.609 1.00 0.53 H new ATOM 0 HA2 GLY A 58 9.023 -4.467 -8.421 1.00 0.61 H new ATOM 0 HA3 GLY A 58 9.044 -6.215 -8.288 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.209 -13.663 -6.533 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.112 -12.613 -6.979 1.00 0.66 C ATOM 1019 C VAL B 4 -9.962 -11.395 -6.085 1.00 0.59 C ATOM 1020 O VAL B 4 -9.892 -11.510 -4.868 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.583 -13.081 -6.979 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.522 -11.950 -7.385 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.755 -14.277 -7.896 1.00 0.73 C ATOM 0 HA VAL B 4 -9.845 -12.358 -8.004 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.844 -13.380 -5.964 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.551 -12.310 -7.376 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.421 -11.123 -6.682 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.267 -11.607 -8.388 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.797 -14.596 -7.886 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.470 -14.001 -8.911 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.122 -15.094 -7.551 1.00 0.73 H new ATOM 1033 N THR B 5 -9.932 -10.231 -6.690 1.00 0.50 N ATOM 1034 CA THR B 5 -9.759 -9.009 -5.950 1.00 0.45 C ATOM 1035 C THR B 5 -11.105 -8.433 -5.546 1.00 0.40 C ATOM 1036 O THR B 5 -12.140 -8.789 -6.114 1.00 0.39 O ATOM 1037 CB THR B 5 -8.993 -7.987 -6.801 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.885 -7.380 -7.741 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.855 -8.665 -7.552 1.00 0.48 C ATOM 0 H THR B 5 -10.026 -10.107 -7.698 1.00 0.50 H new ATOM 0 HA THR B 5 -9.189 -9.229 -5.048 1.00 0.45 H new ATOM 0 HB THR B 5 -8.577 -7.226 -6.141 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.860 -7.879 -8.584 1.00 0.39 H new ATOM 0 HG21 THR B 5 -7.323 -7.926 -8.150 1.00 0.48 H new ATOM 0 HG22 THR B 5 -7.167 -9.118 -6.838 1.00 0.48 H new ATOM 0 HG23 THR B 5 -8.260 -9.437 -8.206 1.00 0.48 H new ATOM 1047 N LEU B 6 -11.087 -7.519 -4.581 1.00 0.39 N ATOM 1048 CA LEU B 6 -12.310 -6.879 -4.124 1.00 0.36 C ATOM 1049 C LEU B 6 -12.699 -5.832 -5.164 1.00 0.32 C ATOM 1050 O LEU B 6 -13.784 -5.253 -5.138 1.00 0.30 O ATOM 1051 CB LEU B 6 -12.071 -6.295 -2.725 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.900 -5.097 -2.307 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -13.323 -5.235 -0.856 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -12.093 -3.833 -2.483 1.00 0.50 C ATOM 0 H LEU B 6 -10.241 -7.208 -4.104 1.00 0.39 H new ATOM 0 HA LEU B 6 -13.140 -7.580 -4.030 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -12.240 -7.089 -1.998 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -11.020 -6.016 -2.654 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.791 -5.048 -2.933 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.918 -4.369 -0.566 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.918 -6.141 -0.735 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -12.438 -5.295 -0.223 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.692 -2.974 -2.182 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -11.196 -3.885 -1.865 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.807 -3.727 -3.529 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.789 -5.656 -6.116 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.962 -4.735 -7.217 1.00 0.32 C ATOM 1068 C TYR B 7 -12.847 -5.382 -8.281 1.00 0.32 C ATOM 1069 O TYR B 7 -13.746 -4.747 -8.836 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.588 -4.389 -7.801 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.859 -3.281 -7.066 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.172 -3.510 -5.863 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -9.861 -1.988 -7.580 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.525 -2.476 -5.221 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.210 -0.958 -6.932 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.545 -1.206 -5.755 1.00 0.44 C ATOM 1077 OH TYR B 7 -7.895 -0.177 -5.111 1.00 0.49 O ATOM 0 H TYR B 7 -10.902 -6.159 -6.139 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.441 -3.819 -6.870 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.967 -5.285 -7.793 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.712 -4.097 -8.844 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.150 -4.503 -5.438 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.382 -1.786 -8.504 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -8.000 -2.662 -4.296 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.223 0.039 -7.348 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.453 0.154 -4.377 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.592 -6.668 -8.535 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.357 -7.438 -9.517 1.00 0.35 C ATOM 1089 C ASP B 8 -14.807 -7.555 -9.070 1.00 0.31 C ATOM 1090 O ASP B 8 -15.732 -7.515 -9.888 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.758 -8.840 -9.698 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.455 -8.835 -10.474 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.502 -8.830 -11.724 1.00 1.31 O ATOM 1094 OD2 ASP B 8 -10.375 -8.839 -9.838 1.00 1.07 O ATOM 0 H ASP B 8 -11.856 -7.200 -8.070 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.312 -6.915 -10.472 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.588 -9.285 -8.718 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.479 -9.473 -10.215 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.987 -7.695 -7.763 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.308 -7.809 -7.160 1.00 0.25 C ATOM 1101 C VAL B 9 -17.123 -6.550 -7.433 1.00 0.25 C ATOM 1102 O VAL B 9 -18.299 -6.617 -7.793 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.194 -8.036 -5.636 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.563 -8.198 -4.995 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.319 -9.245 -5.350 1.00 0.28 C ATOM 0 H VAL B 9 -14.221 -7.733 -7.091 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.813 -8.666 -7.605 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.729 -7.154 -5.196 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.446 -8.356 -3.923 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.154 -7.298 -5.167 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -18.072 -9.056 -5.435 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.246 -9.395 -4.273 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.759 -10.130 -5.810 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.323 -9.079 -5.761 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.470 -5.408 -7.288 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.105 -4.116 -7.514 1.00 0.28 C ATOM 1117 C ALA B 10 -17.478 -3.918 -8.976 1.00 0.33 C ATOM 1118 O ALA B 10 -18.567 -3.428 -9.290 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.179 -3.005 -7.072 1.00 0.31 C ATOM 0 H ALA B 10 -15.490 -5.348 -7.012 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.023 -4.091 -6.927 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.659 -2.041 -7.243 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.958 -3.116 -6.011 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.252 -3.055 -7.643 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.566 -4.305 -9.863 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.769 -4.178 -11.307 1.00 0.44 C ATOM 1127 C GLU B 11 -18.038 -4.902 -11.750 1.00 0.47 C ATOM 1128 O GLU B 11 -18.829 -4.364 -12.524 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.556 -4.741 -12.056 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.632 -4.586 -13.569 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.472 -5.249 -14.283 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -14.141 -6.405 -13.944 1.00 2.16 O ATOM 1133 OE2 GLU B 11 -13.894 -4.623 -15.196 1.00 2.34 O ATOM 0 H GLU B 11 -15.668 -4.714 -9.605 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.882 -3.120 -11.544 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.656 -4.242 -11.695 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.453 -5.799 -11.815 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -16.567 -5.015 -13.928 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -15.651 -3.526 -13.821 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.229 -6.117 -11.238 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.395 -6.924 -11.577 1.00 0.49 C ATOM 1142 C TYR B 12 -20.658 -6.367 -10.926 1.00 0.49 C ATOM 1143 O TYR B 12 -21.715 -6.299 -11.556 1.00 0.58 O ATOM 1144 CB TYR B 12 -19.183 -8.371 -11.132 1.00 0.49 C ATOM 1145 CG TYR B 12 -20.299 -9.295 -11.560 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -20.291 -9.881 -12.817 1.00 1.15 C ATOM 1147 CD2 TYR B 12 -21.364 -9.569 -10.713 1.00 1.48 C ATOM 1148 CE1 TYR B 12 -21.313 -10.718 -13.216 1.00 1.18 C ATOM 1149 CE2 TYR B 12 -22.389 -10.401 -11.105 1.00 1.58 C ATOM 1150 CZ TYR B 12 -22.362 -10.974 -12.356 1.00 0.81 C ATOM 1151 OH TYR B 12 -23.393 -11.801 -12.749 1.00 0.94 O ATOM 0 H TYR B 12 -17.586 -6.564 -10.584 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.521 -6.892 -12.659 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -18.241 -8.736 -11.541 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -19.092 -8.401 -10.046 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -19.473 -9.679 -13.493 1.00 1.15 H new ATOM 0 HD2 TYR B 12 -21.389 -9.122 -9.730 1.00 1.48 H new ATOM 0 HE1 TYR B 12 -21.292 -11.171 -14.196 1.00 1.18 H new ATOM 0 HE2 TYR B 12 -23.210 -10.603 -10.434 1.00 1.58 H new ATOM 0 HH TYR B 12 -23.241 -12.703 -12.398 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.540 -5.976 -9.662 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.669 -5.438 -8.904 1.00 0.48 C ATOM 1163 C ALA B 13 -22.133 -4.079 -9.428 1.00 0.52 C ATOM 1164 O ALA B 13 -23.249 -3.641 -9.145 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.299 -5.341 -7.436 1.00 0.43 C ATOM 0 H ALA B 13 -19.668 -6.021 -9.135 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.506 -6.125 -9.029 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.142 -4.940 -6.874 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.049 -6.332 -7.057 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.439 -4.681 -7.320 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.268 -3.413 -10.181 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.605 -2.117 -10.735 1.00 0.55 C ATOM 1173 C GLY B 14 -21.527 -1.018 -9.695 1.00 0.52 C ATOM 1174 O GLY B 14 -22.235 -0.017 -9.780 1.00 0.59 O ATOM 0 H GLY B 14 -20.335 -3.749 -10.419 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.927 -1.887 -11.557 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.612 -2.151 -11.152 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.675 -1.228 -8.698 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.480 -0.274 -7.613 1.00 0.46 C ATOM 1180 C VAL B 15 -19.007 0.086 -7.498 1.00 0.43 C ATOM 1181 O VAL B 15 -18.176 -0.476 -8.215 1.00 0.43 O ATOM 1182 CB VAL B 15 -20.959 -0.863 -6.267 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.446 -1.165 -6.309 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.181 -2.123 -5.921 1.00 0.36 C ATOM 0 H VAL B 15 -20.099 -2.066 -8.619 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.066 0.617 -7.839 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.777 -0.118 -5.493 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.760 -1.579 -5.351 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -22.998 -0.246 -6.506 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.648 -1.887 -7.100 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.535 -2.520 -4.970 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.329 -2.868 -6.703 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.120 -1.885 -5.842 1.00 0.36 H new ATOM 1194 N SER B 16 -18.671 1.018 -6.614 1.00 0.45 N ATOM 1195 CA SER B 16 -17.276 1.372 -6.435 1.00 0.46 C ATOM 1196 C SER B 16 -16.595 0.261 -5.644 1.00 0.41 C ATOM 1197 O SER B 16 -17.258 -0.461 -4.897 1.00 0.39 O ATOM 1198 CB SER B 16 -17.123 2.726 -5.733 1.00 0.50 C ATOM 1199 OG SER B 16 -17.844 2.776 -4.513 1.00 0.64 O ATOM 0 H SER B 16 -19.329 1.529 -6.025 1.00 0.45 H new ATOM 0 HA SER B 16 -16.801 1.474 -7.411 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.068 2.916 -5.538 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.473 3.519 -6.394 1.00 0.50 H new ATOM 0 HG SER B 16 -18.154 1.876 -4.279 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.286 0.114 -5.803 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.553 -0.941 -5.103 1.00 0.41 C ATOM 1207 C TYR B 17 -14.656 -0.759 -3.591 1.00 0.41 C ATOM 1208 O TYR B 17 -14.513 -1.711 -2.824 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.087 -0.976 -5.570 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.098 -0.353 -4.613 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -11.939 1.020 -4.536 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.319 -1.153 -3.793 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.029 1.577 -3.667 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.406 -0.615 -2.916 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.266 0.759 -2.861 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.363 1.325 -2.005 1.00 1.42 O ATOM 0 H TYR B 17 -14.711 0.705 -6.404 1.00 0.42 H new ATOM 0 HA TYR B 17 -15.005 -1.902 -5.348 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.800 -2.014 -5.741 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.014 -0.463 -6.529 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.537 1.662 -5.166 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.431 -2.226 -3.844 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -10.913 2.650 -3.617 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -9.810 -1.254 -2.282 1.00 1.43 H new ATOM 0 HH TYR B 17 -8.902 0.621 -1.503 1.00 1.42 H new ATOM 1226 N GLN B 18 -14.945 0.464 -3.167 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.074 0.752 -1.750 1.00 0.44 C ATOM 1228 C GLN B 18 -16.452 0.353 -1.234 1.00 0.38 C ATOM 1229 O GLN B 18 -16.659 0.233 -0.024 1.00 0.38 O ATOM 1230 CB GLN B 18 -14.808 2.219 -1.466 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.227 2.444 -0.085 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.713 3.850 0.105 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.793 4.401 1.198 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.188 4.444 -0.959 1.00 0.87 N ATOM 0 H GLN B 18 -15.093 1.265 -3.781 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.326 0.160 -1.223 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -14.121 2.612 -2.215 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.738 2.779 -1.562 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -14.990 2.235 0.665 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.414 1.738 0.083 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.142 3.948 -1.849 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.831 5.397 -0.887 1.00 0.87 H new ATOM 1243 N THR B 19 -17.401 0.163 -2.148 1.00 0.39 N ATOM 1244 CA THR B 19 -18.740 -0.277 -1.773 1.00 0.38 C ATOM 1245 C THR B 19 -18.635 -1.697 -1.237 1.00 0.34 C ATOM 1246 O THR B 19 -19.377 -2.116 -0.349 1.00 0.36 O ATOM 1247 CB THR B 19 -19.703 -0.245 -2.979 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.573 0.999 -3.675 1.00 0.54 O ATOM 1249 CG2 THR B 19 -21.150 -0.431 -2.547 1.00 0.45 C ATOM 0 H THR B 19 -17.267 0.306 -3.149 1.00 0.39 H new ATOM 0 HA THR B 19 -19.141 0.397 -1.016 1.00 0.38 H new ATOM 0 HB THR B 19 -19.434 -1.071 -3.638 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.461 1.390 -3.815 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.798 -0.403 -3.423 1.00 0.45 H new ATOM 0 HG22 THR B 19 -21.259 -1.393 -2.046 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.431 0.369 -1.862 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.664 -2.416 -1.785 1.00 0.33 N ATOM 1258 CA VAL B 20 -17.381 -3.780 -1.378 1.00 0.33 C ATOM 1259 C VAL B 20 -16.695 -3.754 -0.021 1.00 0.36 C ATOM 1260 O VAL B 20 -16.978 -4.577 0.846 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.485 -4.496 -2.413 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -16.393 -5.985 -2.125 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -17.008 -4.262 -3.820 1.00 0.44 C ATOM 0 H VAL B 20 -17.053 -2.067 -2.523 1.00 0.33 H new ATOM 0 HA VAL B 20 -18.318 -4.333 -1.313 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.482 -4.075 -2.336 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.756 -6.461 -2.870 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.968 -6.138 -1.133 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -17.389 -6.426 -2.165 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.365 -4.773 -4.537 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -18.023 -4.651 -3.900 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -17.012 -3.193 -4.034 1.00 0.44 H new ATOM 1273 N SER B 21 -15.807 -2.770 0.149 1.00 0.39 N ATOM 1274 CA SER B 21 -15.076 -2.566 1.393 1.00 0.45 C ATOM 1275 C SER B 21 -16.029 -2.476 2.580 1.00 0.45 C ATOM 1276 O SER B 21 -15.694 -2.900 3.682 1.00 0.52 O ATOM 1277 CB SER B 21 -14.256 -1.279 1.293 1.00 0.50 C ATOM 1278 OG SER B 21 -13.641 -0.951 2.528 1.00 1.29 O ATOM 0 H SER B 21 -15.577 -2.092 -0.578 1.00 0.39 H new ATOM 0 HA SER B 21 -14.415 -3.418 1.551 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.491 -1.394 0.525 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.902 -0.459 0.979 1.00 0.50 H new ATOM 0 HG SER B 21 -13.124 -0.124 2.427 1.00 1.29 H new ATOM 1284 N ARG B 22 -17.214 -1.927 2.344 1.00 0.44 N ATOM 1285 CA ARG B 22 -18.209 -1.778 3.398 1.00 0.51 C ATOM 1286 C ARG B 22 -18.655 -3.146 3.914 1.00 0.54 C ATOM 1287 O ARG B 22 -18.538 -3.439 5.105 1.00 0.65 O ATOM 1288 CB ARG B 22 -19.430 -1.006 2.882 1.00 0.59 C ATOM 1289 CG ARG B 22 -19.099 0.278 2.143 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.508 1.323 3.063 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.172 2.548 2.336 1.00 1.46 N ATOM 1292 CZ ARG B 22 -16.945 3.068 2.265 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -15.936 2.485 2.904 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -16.730 4.178 1.559 1.00 2.66 N ATOM 0 H ARG B 22 -17.509 -1.578 1.432 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.751 -1.220 4.215 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -20.000 -1.656 2.218 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -20.076 -0.767 3.727 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -18.395 0.063 1.339 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -20.003 0.673 1.679 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.218 1.553 3.858 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.613 0.925 3.541 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.925 3.036 1.852 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -16.099 1.639 3.450 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -14.999 2.884 2.849 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.504 4.631 1.072 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -15.792 4.575 1.505 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.138 -3.985 3.001 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.619 -5.321 3.350 1.00 0.58 C ATOM 1310 C VAL B 23 -18.476 -6.214 3.830 1.00 0.62 C ATOM 1311 O VAL B 23 -18.680 -7.146 4.612 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.312 -5.996 2.145 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -21.156 -7.178 2.602 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.175 -4.999 1.383 1.00 0.55 C ATOM 0 H VAL B 23 -19.207 -3.762 2.008 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.340 -5.198 4.158 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.534 -6.361 1.474 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.635 -7.639 1.738 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.518 -7.911 3.097 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.920 -6.832 3.299 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.651 -5.500 0.540 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.941 -4.599 2.047 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.551 -4.184 1.016 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.278 -5.925 3.344 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.095 -6.679 3.714 1.00 0.69 C ATOM 1326 C VAL B 24 -15.655 -6.345 5.141 1.00 0.76 C ATOM 1327 O VAL B 24 -15.163 -7.208 5.870 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.948 -6.405 2.712 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.592 -6.725 3.311 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.169 -7.203 1.437 1.00 0.66 C ATOM 0 H VAL B 24 -17.101 -5.166 2.686 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.342 -7.740 3.679 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.957 -5.341 2.475 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -12.813 -6.520 2.577 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.430 -6.108 4.195 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -13.558 -7.778 3.592 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.357 -7.004 0.738 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.192 -8.267 1.673 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.117 -6.911 0.985 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.865 -5.095 5.545 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.485 -4.654 6.885 1.00 0.79 C ATOM 1342 C ASN B 25 -16.516 -5.070 7.931 1.00 1.20 C ATOM 1343 O ASN B 25 -16.329 -6.048 8.661 1.00 1.68 O ATOM 1344 CB ASN B 25 -15.320 -3.134 6.924 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.900 -2.687 6.655 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -13.071 -2.648 7.557 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.615 -2.331 5.413 1.00 1.07 N ATOM 0 H ASN B 25 -16.294 -4.372 4.967 1.00 0.72 H new ATOM 0 HA ASN B 25 -14.536 -5.135 7.122 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -15.983 -2.683 6.186 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -15.632 -2.765 7.901 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.676 -2.009 5.177 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.334 -2.378 4.691 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.381 1.800 5.844 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.545 2.585 4.629 1.00 0.93 C ATOM 1394 C HIS B 29 -23.723 1.701 3.395 1.00 0.85 C ATOM 1395 O HIS B 29 -23.276 2.055 2.305 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.385 3.567 4.388 1.00 1.01 C ATOM 1397 CG HIS B 29 -21.557 3.963 5.581 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.850 4.043 6.902 1.00 1.04 N flip ATOM 1399 CD2 HIS B 29 -20.249 4.374 5.463 1.00 1.26 C flip ATOM 1400 CE1 HIS B 29 -20.728 4.498 7.543 1.00 1.07 C flip ATOM 1401 NE2 HIS B 29 -19.777 4.691 6.648 1.00 1.31 N flip ATOM 0 HA HIS B 29 -24.454 3.166 4.786 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -21.719 3.127 3.646 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -22.797 4.475 3.947 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -19.695 4.428 4.538 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -20.637 4.670 8.605 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -18.835 5.029 6.843 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.374 0.556 3.560 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.621 -0.339 2.437 1.00 0.78 C ATOM 1412 C VAL B 30 -26.062 -0.807 2.446 1.00 0.81 C ATOM 1413 O VAL B 30 -26.420 -1.732 3.181 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.696 -1.579 2.415 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -22.545 -1.366 1.448 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -23.174 -1.913 3.798 1.00 1.22 C ATOM 0 H VAL B 30 -24.738 0.227 4.454 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.405 0.244 1.541 1.00 0.78 H new ATOM 0 HB VAL B 30 -24.289 -2.427 2.074 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -21.904 -2.248 1.445 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -22.938 -1.200 0.445 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -21.965 -0.497 1.759 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -22.528 -2.789 3.741 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -22.605 -1.068 4.186 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -24.012 -2.122 4.463 1.00 1.22 H new ATOM 1426 N SER B 31 -26.889 -0.147 1.652 1.00 0.82 N ATOM 1427 CA SER B 31 -28.293 -0.496 1.556 1.00 0.88 C ATOM 1428 C SER B 31 -28.442 -1.924 1.039 1.00 0.94 C ATOM 1429 O SER B 31 -27.560 -2.422 0.335 1.00 1.42 O ATOM 1430 CB SER B 31 -29.014 0.488 0.630 1.00 0.90 C ATOM 1431 OG SER B 31 -28.117 1.041 -0.320 1.00 0.83 O ATOM 0 H SER B 31 -26.608 0.637 1.063 1.00 0.82 H new ATOM 0 HA SER B 31 -28.744 -0.437 2.546 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.827 -0.022 0.114 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.462 1.287 1.220 1.00 0.90 H new ATOM 0 HG SER B 31 -27.582 0.324 -0.721 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.540 -2.573 1.403 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.811 -3.951 0.991 1.00 0.92 C ATOM 1439 C ALA B 32 -29.516 -4.187 -0.488 1.00 0.86 C ATOM 1440 O ALA B 32 -28.812 -5.132 -0.841 1.00 0.88 O ATOM 1441 CB ALA B 32 -31.252 -4.305 1.295 1.00 1.07 C ATOM 0 H ALA B 32 -30.267 -2.164 1.990 1.00 0.88 H new ATOM 0 HA ALA B 32 -29.142 -4.597 1.559 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -31.447 -5.332 0.986 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -31.433 -4.208 2.366 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.915 -3.631 0.753 1.00 1.07 H new ATOM 1447 N LYS B 33 -30.027 -3.305 -1.338 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.839 -3.415 -2.785 1.00 0.87 C ATOM 1449 C LYS B 33 -28.359 -3.512 -3.166 1.00 0.79 C ATOM 1450 O LYS B 33 -27.947 -4.455 -3.841 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.471 -2.213 -3.486 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.515 -2.341 -5.002 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.493 -3.417 -5.448 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.939 -2.967 -5.294 1.00 2.55 C ATOM 1455 NZ LYS B 33 -33.289 -1.876 -6.244 1.00 3.30 N ATOM 0 H LYS B 33 -30.580 -2.498 -1.050 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.328 -4.334 -3.109 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.486 -2.078 -3.112 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.912 -1.315 -3.222 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -30.802 -1.385 -5.440 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -29.519 -2.577 -5.376 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -31.301 -3.673 -6.490 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.330 -4.322 -4.862 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -33.602 -3.816 -5.458 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -33.105 -2.625 -4.272 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -34.323 -1.785 -6.302 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -32.880 -0.980 -5.910 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -32.908 -2.100 -7.185 1.00 3.30 H new ATOM 1469 N THR B 34 -27.568 -2.539 -2.724 1.00 0.68 N ATOM 1470 CA THR B 34 -26.141 -2.504 -3.025 1.00 0.61 C ATOM 1471 C THR B 34 -25.380 -3.638 -2.349 1.00 0.57 C ATOM 1472 O THR B 34 -24.496 -4.241 -2.954 1.00 0.54 O ATOM 1473 CB THR B 34 -25.521 -1.166 -2.592 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.516 -0.349 -1.962 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.933 -0.432 -3.785 1.00 0.73 C ATOM 0 H THR B 34 -27.894 -1.760 -2.152 1.00 0.68 H new ATOM 0 HA THR B 34 -26.054 -2.623 -4.105 1.00 0.61 H new ATOM 0 HB THR B 34 -24.719 -1.372 -1.883 1.00 0.64 H new ATOM 0 HG1 THR B 34 -27.153 -0.031 -2.636 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.500 0.512 -3.454 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.158 -1.046 -4.244 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.719 -0.235 -4.514 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.723 -3.927 -1.097 1.00 0.61 N ATOM 1484 CA ARG B 35 -25.060 -4.990 -0.351 1.00 0.61 C ATOM 1485 C ARG B 35 -25.257 -6.339 -1.035 1.00 0.60 C ATOM 1486 O ARG B 35 -24.311 -7.115 -1.183 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.587 -5.047 1.083 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.934 -6.130 1.920 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.584 -6.234 3.282 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.102 -7.397 4.026 1.00 1.71 N ATOM 1491 CZ ARG B 35 -24.973 -7.433 5.352 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -25.281 -6.365 6.079 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -24.541 -8.540 5.946 1.00 3.21 N ATOM 0 H ARG B 35 -26.455 -3.441 -0.579 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.993 -4.769 -0.326 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.425 -4.081 1.561 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.664 -5.215 1.061 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -25.009 -7.087 1.404 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.872 -5.913 2.036 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -25.380 -5.328 3.852 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -26.666 -6.300 3.165 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.849 -8.232 3.498 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.616 -5.517 5.623 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -25.182 -6.393 7.094 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -24.308 -9.361 5.387 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -24.442 -8.569 6.961 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.484 -6.603 -1.472 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.808 -7.858 -2.143 1.00 0.67 C ATOM 1509 C GLU B 36 -26.053 -7.978 -3.461 1.00 0.62 C ATOM 1510 O GLU B 36 -25.675 -9.078 -3.867 1.00 0.65 O ATOM 1511 CB GLU B 36 -28.311 -7.965 -2.385 1.00 0.75 C ATOM 1512 CG GLU B 36 -29.114 -8.195 -1.115 1.00 0.84 C ATOM 1513 CD GLU B 36 -30.603 -8.267 -1.373 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -31.099 -7.538 -2.260 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -31.287 -9.061 -0.690 1.00 2.09 O ATOM 0 H GLU B 36 -27.272 -5.963 -1.373 1.00 0.63 H new ATOM 0 HA GLU B 36 -26.500 -8.677 -1.493 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.660 -7.051 -2.866 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -28.502 -8.783 -3.080 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.785 -9.122 -0.645 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -28.910 -7.390 -0.410 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.837 -6.846 -4.122 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.100 -6.820 -5.383 1.00 0.56 C ATOM 1524 C LYS B 37 -23.669 -7.278 -5.146 1.00 0.48 C ATOM 1525 O LYS B 37 -23.129 -8.095 -5.890 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.084 -5.410 -5.980 1.00 0.58 C ATOM 1527 CG LYS B 37 -26.434 -4.911 -6.467 1.00 1.00 C ATOM 1528 CD LYS B 37 -26.350 -3.461 -6.917 1.00 1.13 C ATOM 1529 CE LYS B 37 -27.685 -2.941 -7.421 1.00 1.31 C ATOM 1530 NZ LYS B 37 -28.155 -3.684 -8.619 1.00 1.66 N ATOM 0 H LYS B 37 -26.162 -5.932 -3.806 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.598 -7.490 -6.084 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -24.705 -4.717 -5.229 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.383 -5.391 -6.814 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -26.779 -5.532 -7.294 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -27.170 -5.006 -5.669 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -26.011 -2.843 -6.086 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -25.604 -3.370 -7.707 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -28.429 -3.023 -6.628 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.594 -1.882 -7.664 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.954 -3.177 -9.050 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -27.379 -3.758 -9.308 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -28.461 -4.638 -8.338 1.00 1.66 H new ATOM 1544 N VAL B 38 -23.071 -6.746 -4.088 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.702 -7.076 -3.728 1.00 0.37 C ATOM 1546 C VAL B 38 -21.578 -8.537 -3.308 1.00 0.39 C ATOM 1547 O VAL B 38 -20.706 -9.260 -3.797 1.00 0.37 O ATOM 1548 CB VAL B 38 -21.195 -6.170 -2.588 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.768 -6.527 -2.211 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.295 -4.706 -2.988 1.00 0.38 C ATOM 0 H VAL B 38 -23.519 -6.078 -3.460 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.088 -6.911 -4.613 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.827 -6.332 -1.714 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.431 -5.875 -1.405 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.728 -7.565 -1.880 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -19.120 -6.398 -3.078 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.933 -4.080 -2.172 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.689 -4.529 -3.877 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.334 -4.458 -3.202 1.00 0.38 H new ATOM 1560 N GLU B 39 -22.456 -8.969 -2.407 1.00 0.45 N ATOM 1561 CA GLU B 39 -22.443 -10.344 -1.919 1.00 0.50 C ATOM 1562 C GLU B 39 -22.632 -11.334 -3.067 1.00 0.53 C ATOM 1563 O GLU B 39 -22.010 -12.400 -3.089 1.00 0.55 O ATOM 1564 CB GLU B 39 -23.517 -10.544 -0.840 1.00 0.59 C ATOM 1565 CG GLU B 39 -23.181 -9.868 0.482 1.00 0.63 C ATOM 1566 CD GLU B 39 -24.082 -10.308 1.617 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -24.120 -11.523 1.922 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -24.750 -9.442 2.221 1.00 1.76 O ATOM 0 H GLU B 39 -23.187 -8.385 -2.000 1.00 0.45 H new ATOM 0 HA GLU B 39 -21.468 -10.536 -1.470 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -24.467 -10.155 -1.207 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -23.655 -11.612 -0.669 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -22.145 -10.086 0.742 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -23.259 -8.787 0.361 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.487 -10.976 -4.024 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.734 -11.824 -5.183 1.00 0.61 C ATOM 1577 C ALA B 40 -22.484 -11.897 -6.048 1.00 0.53 C ATOM 1578 O ALA B 40 -22.101 -12.969 -6.516 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.915 -11.307 -5.994 1.00 0.70 C ATOM 0 H ALA B 40 -24.018 -10.105 -4.017 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.981 -12.826 -4.833 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -25.079 -11.957 -6.853 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.809 -11.298 -5.370 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.704 -10.295 -6.340 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.835 -10.748 -6.226 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.619 -10.668 -7.025 1.00 0.43 C ATOM 1587 C ALA B 41 -19.514 -11.513 -6.404 1.00 0.38 C ATOM 1588 O ALA B 41 -18.720 -12.130 -7.113 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.168 -9.224 -7.181 1.00 0.42 C ATOM 0 H ALA B 41 -22.134 -9.859 -5.826 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.837 -11.063 -8.017 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.259 -9.190 -7.781 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -20.951 -8.650 -7.676 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.970 -8.796 -6.198 1.00 0.42 H new ATOM 1595 N MET B 42 -19.481 -11.552 -5.074 1.00 0.38 N ATOM 1596 CA MET B 42 -18.491 -12.347 -4.352 1.00 0.40 C ATOM 1597 C MET B 42 -18.626 -13.821 -4.723 1.00 0.45 C ATOM 1598 O MET B 42 -17.677 -14.591 -4.608 1.00 0.52 O ATOM 1599 CB MET B 42 -18.666 -12.182 -2.839 1.00 0.44 C ATOM 1600 CG MET B 42 -18.273 -10.811 -2.313 1.00 0.41 C ATOM 1601 SD MET B 42 -18.242 -10.749 -0.510 1.00 0.51 S ATOM 1602 CE MET B 42 -18.044 -8.992 -0.238 1.00 0.46 C ATOM 0 H MET B 42 -20.129 -11.042 -4.474 1.00 0.38 H new ATOM 0 HA MET B 42 -17.499 -11.993 -4.634 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.708 -12.373 -2.582 1.00 0.44 H new ATOM 0 HB3 MET B 42 -18.069 -12.939 -2.331 1.00 0.44 H new ATOM 0 HG2 MET B 42 -17.289 -10.545 -2.700 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.975 -10.066 -2.687 1.00 0.41 H new ATOM 0 HE1 MET B 42 -17.310 -8.826 0.551 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.702 -8.518 -1.158 1.00 0.46 H new ATOM 0 HE3 MET B 42 -19.000 -8.560 0.059 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.814 -14.197 -5.181 1.00 0.46 N ATOM 1613 CA ALA B 43 -20.084 -15.573 -5.571 1.00 0.53 C ATOM 1614 C ALA B 43 -19.872 -15.773 -7.068 1.00 0.55 C ATOM 1615 O ALA B 43 -19.408 -16.830 -7.501 1.00 0.62 O ATOM 1616 CB ALA B 43 -21.501 -15.961 -5.175 1.00 0.61 C ATOM 0 H ALA B 43 -20.607 -13.565 -5.291 1.00 0.46 H new ATOM 0 HA ALA B 43 -19.382 -16.220 -5.046 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -21.692 -16.992 -5.472 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -21.616 -15.867 -4.095 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -22.212 -15.302 -5.674 1.00 0.61 H new ATOM 1622 N GLU B 44 -20.200 -14.750 -7.848 1.00 0.54 N ATOM 1623 CA GLU B 44 -20.052 -14.803 -9.296 1.00 0.58 C ATOM 1624 C GLU B 44 -18.588 -14.908 -9.688 1.00 0.59 C ATOM 1625 O GLU B 44 -18.195 -15.783 -10.462 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.678 -13.561 -9.928 1.00 0.58 C ATOM 1627 CG GLU B 44 -22.174 -13.466 -9.709 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.942 -14.501 -10.506 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -23.142 -14.289 -11.723 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -23.342 -15.533 -9.922 1.00 1.55 O ATOM 0 H GLU B 44 -20.573 -13.868 -7.498 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.567 -15.691 -9.663 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -20.200 -12.672 -9.516 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.474 -13.565 -10.999 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.392 -13.593 -8.649 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.517 -12.469 -9.988 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.784 -14.012 -9.146 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.357 -14.014 -9.433 1.00 0.55 C ATOM 1639 C LEU B 45 -15.650 -15.022 -8.537 1.00 0.55 C ATOM 1640 O LEU B 45 -14.506 -15.395 -8.795 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.718 -12.635 -9.196 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.204 -11.468 -10.069 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.736 -11.945 -11.408 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.251 -10.660 -9.328 1.00 0.99 C ATOM 0 H LEU B 45 -18.090 -13.277 -8.508 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.244 -14.278 -10.485 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.880 -12.364 -8.153 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.642 -12.735 -9.336 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.346 -10.828 -10.276 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.069 -11.088 -11.993 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.947 -12.468 -11.948 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.575 -12.622 -11.246 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.587 -9.836 -9.957 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.099 -11.300 -9.084 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.820 -10.262 -8.409 1.00 0.99 H new ATOM 1656 N ASN B 46 -16.367 -15.473 -7.501 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.818 -16.383 -6.504 1.00 0.59 C ATOM 1658 C ASN B 46 -14.655 -15.677 -5.830 1.00 0.54 C ATOM 1659 O ASN B 46 -13.503 -16.093 -5.931 1.00 0.59 O ATOM 1660 CB ASN B 46 -15.380 -17.716 -7.114 1.00 0.71 C ATOM 1661 CG ASN B 46 -15.218 -18.801 -6.062 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -16.144 -19.562 -5.784 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -14.041 -18.873 -5.464 1.00 1.40 N ATOM 0 H ASN B 46 -17.340 -15.215 -7.336 1.00 0.53 H new ATOM 0 HA ASN B 46 -16.589 -16.632 -5.775 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -16.115 -18.035 -7.853 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -14.436 -17.580 -7.642 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -13.877 -19.577 -4.745 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -13.297 -18.224 -5.722 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.998 -14.581 -5.166 1.00 0.48 N ATOM 1671 CA TYR B 47 -14.048 -13.712 -4.485 1.00 0.46 C ATOM 1672 C TYR B 47 -13.082 -14.470 -3.578 1.00 0.52 C ATOM 1673 O TYR B 47 -13.465 -15.059 -2.570 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.818 -12.643 -3.690 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.958 -11.621 -2.967 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.629 -11.398 -3.318 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -14.489 -10.880 -1.921 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.859 -10.475 -2.642 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.723 -9.950 -1.242 1.00 1.21 C ATOM 1680 CZ TYR B 47 -12.408 -9.755 -1.605 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.635 -8.839 -0.928 1.00 0.51 O ATOM 0 H TYR B 47 -15.964 -14.265 -5.084 1.00 0.48 H new ATOM 0 HA TYR B 47 -13.431 -13.239 -5.249 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -15.482 -12.115 -4.374 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -15.449 -13.145 -2.957 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -12.194 -11.957 -4.133 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -15.518 -11.032 -1.632 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.829 -10.318 -2.925 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -14.153 -9.380 -0.432 1.00 1.21 H new ATOM 0 HH TYR B 47 -12.202 -8.314 -0.325 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.817 -14.443 -3.973 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.740 -15.055 -3.221 1.00 0.64 C ATOM 1693 C ILE B 48 -9.736 -13.957 -2.893 1.00 0.59 C ATOM 1694 O ILE B 48 -8.822 -13.704 -3.679 1.00 0.58 O ATOM 1695 CB ILE B 48 -10.023 -16.175 -4.012 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -11.019 -17.243 -4.459 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.928 -16.800 -3.160 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.540 -18.069 -5.636 1.00 1.28 C ATOM 0 H ILE B 48 -11.510 -13.990 -4.834 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.157 -15.516 -2.325 1.00 0.64 H new ATOM 0 HB ILE B 48 -9.571 -15.734 -4.901 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -11.226 -17.908 -3.620 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -11.960 -16.761 -4.724 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -8.430 -17.587 -3.727 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -8.201 -16.036 -2.884 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -9.367 -17.225 -2.258 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -11.300 -18.806 -5.896 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -10.360 -17.416 -6.490 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -9.615 -18.580 -5.369 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.914 -13.296 -1.731 1.00 0.62 N ATOM 1711 CA PRO B 49 -9.073 -12.178 -1.280 1.00 0.64 C ATOM 1712 C PRO B 49 -7.601 -12.331 -1.641 1.00 0.60 C ATOM 1713 O PRO B 49 -6.989 -13.358 -1.331 1.00 0.66 O ATOM 1714 CB PRO B 49 -9.263 -12.210 0.233 1.00 0.80 C ATOM 1715 CG PRO B 49 -10.659 -12.697 0.420 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.947 -13.624 -0.736 1.00 0.72 C ATOM 0 HA PRO B 49 -9.360 -11.240 -1.756 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -8.543 -12.875 0.710 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -9.124 -11.222 0.672 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -10.764 -13.219 1.371 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -11.362 -11.864 0.434 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -10.889 -14.669 -0.432 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.949 -13.463 -1.135 1.00 0.72 H new ATOM 1724 N ASN B 50 -7.067 -11.310 -2.327 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.661 -11.282 -2.746 1.00 0.58 C ATOM 1726 C ASN B 50 -4.760 -11.665 -1.585 1.00 0.60 C ATOM 1727 O ASN B 50 -4.451 -10.833 -0.742 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.244 -9.877 -3.227 1.00 0.74 C ATOM 1729 CG ASN B 50 -6.162 -9.257 -4.263 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -7.385 -9.349 -4.173 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.563 -8.603 -5.254 1.00 0.68 N ATOM 0 H ASN B 50 -7.597 -10.484 -2.605 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.556 -11.992 -3.566 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -5.194 -9.213 -2.364 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -4.238 -9.935 -3.643 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -6.122 -8.152 -5.979 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.545 -8.552 -5.289 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.316 -12.913 -1.548 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.470 -13.379 -0.459 1.00 0.84 C ATOM 1740 C ARG B 51 -2.198 -12.552 -0.341 1.00 0.76 C ATOM 1741 O ARG B 51 -1.610 -12.452 0.735 1.00 0.85 O ATOM 1742 CB ARG B 51 -3.125 -14.859 -0.639 1.00 1.06 C ATOM 1743 CG ARG B 51 -2.698 -15.537 0.649 1.00 1.68 C ATOM 1744 CD ARG B 51 -3.818 -15.500 1.673 1.00 2.18 C ATOM 1745 NE ARG B 51 -3.338 -15.665 3.042 1.00 2.97 N ATOM 1746 CZ ARG B 51 -4.132 -15.915 4.085 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -5.448 -15.994 3.919 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -3.607 -16.071 5.296 1.00 4.76 N ATOM 0 H ARG B 51 -4.526 -13.618 -2.255 1.00 0.72 H new ATOM 0 HA ARG B 51 -4.033 -13.257 0.466 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -3.992 -15.380 -1.046 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.324 -14.952 -1.373 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -2.418 -16.571 0.446 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -1.815 -15.041 1.051 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -4.348 -14.551 1.591 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -4.537 -16.288 1.447 1.00 2.18 H new ATOM 0 HE ARG B 51 -2.335 -15.584 3.211 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -5.854 -15.863 2.992 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -6.052 -16.185 4.718 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -2.598 -16.000 5.428 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -4.213 -16.262 6.094 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.790 -11.938 -1.436 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.588 -11.129 -1.437 1.00 0.62 C ATOM 1764 C CYS B 52 -0.887 -9.695 -1.000 1.00 0.58 C ATOM 1765 O CYS B 52 -0.428 -9.244 0.051 1.00 0.61 O ATOM 1766 CB CYS B 52 0.041 -11.135 -2.825 1.00 0.66 C ATOM 1767 SG CYS B 52 1.801 -10.706 -2.833 1.00 0.70 S ATOM 0 H CYS B 52 -2.273 -11.984 -2.333 1.00 0.66 H new ATOM 0 HA CYS B 52 0.113 -11.559 -0.722 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.084 -12.124 -3.266 1.00 0.66 H new ATOM 0 HB3 CYS B 52 -0.497 -10.432 -3.461 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.685 -8.998 -1.798 1.00 0.54 N ATOM 1773 CA ALA B 53 -2.036 -7.605 -1.529 1.00 0.52 C ATOM 1774 C ALA B 53 -2.777 -7.433 -0.209 1.00 0.51 C ATOM 1775 O ALA B 53 -2.557 -6.455 0.497 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.849 -7.050 -2.682 1.00 0.53 C ATOM 0 H ALA B 53 -2.106 -9.377 -2.646 1.00 0.54 H new ATOM 0 HA ALA B 53 -1.107 -7.042 -1.436 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -3.109 -6.011 -2.477 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -2.263 -7.104 -3.599 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.761 -7.636 -2.799 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.631 -8.387 0.140 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.389 -8.297 1.382 1.00 0.53 C ATOM 1784 C GLN B 54 -3.504 -8.578 2.591 1.00 0.58 C ATOM 1785 O GLN B 54 -3.694 -7.983 3.646 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.600 -9.230 1.351 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.788 -8.649 0.602 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.628 -7.713 1.452 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.119 -7.028 2.333 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.925 -7.684 1.198 1.00 0.64 N ATOM 0 H GLN B 54 -3.815 -9.224 -0.413 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.757 -7.275 1.476 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -5.312 -10.173 0.886 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.900 -9.458 2.374 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.429 -8.110 -0.275 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -7.416 -9.464 0.240 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -9.313 -8.268 0.457 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.538 -7.078 1.743 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.529 -9.475 2.444 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.610 -9.770 3.542 1.00 0.62 C ATOM 1801 C GLN B 55 -0.758 -8.535 3.814 1.00 0.60 C ATOM 1802 O GLN B 55 -0.489 -8.180 4.963 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.721 -10.970 3.196 1.00 0.65 C ATOM 1804 CG GLN B 55 0.607 -10.990 3.941 1.00 1.19 C ATOM 1805 CD GLN B 55 1.584 -12.002 3.377 1.00 1.78 C ATOM 1806 OE1 GLN B 55 1.204 -13.111 3.000 1.00 2.38 O ATOM 1807 NE2 GLN B 55 2.847 -11.619 3.298 1.00 2.52 N ATOM 0 H GLN B 55 -2.357 -10.003 1.588 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.180 -10.026 4.435 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.265 -11.888 3.418 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.525 -10.967 2.124 1.00 0.65 H new ATOM 0 HG2 GLN B 55 1.056 -9.997 3.900 1.00 1.19 H new ATOM 0 HG3 GLN B 55 0.425 -11.215 4.992 1.00 1.19 H new ATOM 0 HE21 GLN B 55 3.120 -10.691 3.622 1.00 2.52 H new ATOM 0 HE22 GLN B 55 3.549 -12.252 2.913 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.358 -7.892 2.730 1.00 0.54 N ATOM 1817 CA LEU B 56 0.435 -6.675 2.773 1.00 0.53 C ATOM 1818 C LEU B 56 -0.371 -5.534 3.377 1.00 0.55 C ATOM 1819 O LEU B 56 -0.069 -5.065 4.473 1.00 0.58 O ATOM 1820 CB LEU B 56 0.848 -6.330 1.346 1.00 0.48 C ATOM 1821 CG LEU B 56 2.092 -5.465 1.195 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.264 -6.064 1.938 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.441 -5.325 -0.266 1.00 0.46 C ATOM 0 H LEU B 56 -0.577 -8.204 1.784 1.00 0.54 H new ATOM 0 HA LEU B 56 1.317 -6.827 3.396 1.00 0.53 H new ATOM 0 HB2 LEU B 56 1.010 -7.261 0.802 1.00 0.48 H new ATOM 0 HB3 LEU B 56 0.015 -5.819 0.863 1.00 0.48 H new ATOM 0 HG LEU B 56 1.878 -4.484 1.620 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.139 -5.426 1.813 1.00 0.45 H new ATOM 0 HD12 LEU B 56 3.021 -6.143 2.998 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.479 -7.056 1.540 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.332 -4.705 -0.370 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.633 -6.310 -0.690 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.611 -4.858 -0.795 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.432 -5.148 2.679 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.295 -4.046 3.086 1.00 0.59 C ATOM 1837 C ALA B 57 -2.938 -4.258 4.458 1.00 0.68 C ATOM 1838 O ALA B 57 -3.015 -3.329 5.262 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.363 -3.835 2.030 1.00 0.55 C ATOM 0 H ALA B 57 -1.720 -5.594 1.808 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.669 -3.158 3.179 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -4.012 -3.012 2.328 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.890 -3.597 1.077 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.955 -4.744 1.925 1.00 0.55 H new