USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 119:sc= 0.55 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -0.458 USER MOD Set 2.1: A 34 THR OG1 : rot -66:sc= 1.06 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -0.792 USER MOD Set 2.3: A 55 ASN : amide:sc= -2.06 K(o=-1.8,f=0.13) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -0.999! USER MOD Set 3.2: A 62 THR OG1 : rot -114:sc= 1.03 USER MOD Set 4.1: A 12 ASN : amide:sc= -1.65 K(o=-2.9,f=-1.7) USER MOD Set 4.2: A 14 THR OG1 : rot 92:sc= 0.0163 USER MOD Set 4.3: A 17 THR OG1 : rot 130:sc= -1.22 USER MOD Single : A 0 SER N :NH3+ -107:sc= -0.0906 (180deg=-1.22) USER MOD Single : A 0 SER OG : rot 180:sc= 0.00784 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 0.599 (180deg=0.394) USER MOD Single : A 16 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.0254 (180deg=-0.596) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 44:sc= 0.437 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= -0.591 (180deg=-0.607) USER MOD Single : A 45 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.01 K(o=-3,f=-9!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -14.7! C(o=-15!,f=-22!) USER MOD Single : A 86 SER OG : rot -117:sc= 0.68 USER MOD Single : A 89 SER OG : rot 149:sc= -2.14! USER MOD Single : A 92 SER OG : rot -32:sc= -0.477 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -144:sc= -10.9! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.722 -3.554 -7.013 1.00 2.05 N ATOM 2 CA SER A 0 -23.854 -3.043 -5.917 1.00 1.55 C ATOM 3 C SER A 0 -22.400 -3.464 -6.119 1.00 1.39 C ATOM 4 O SER A 0 -21.901 -4.353 -5.430 1.00 1.50 O ATOM 5 CB SER A 0 -24.374 -3.585 -4.583 1.00 2.08 C ATOM 6 OG SER A 0 -25.741 -3.266 -4.398 1.00 2.74 O ATOM 0 H1 SER A 0 -24.994 -2.767 -7.636 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.203 -4.268 -7.563 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.577 -3.985 -6.607 1.00 2.05 H new ATOM 0 HA SER A 0 -23.887 -1.953 -5.920 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.243 -4.667 -4.551 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.787 -3.168 -3.765 1.00 2.08 H new ATOM 0 HG SER A 0 -26.048 -3.625 -3.539 1.00 2.74 H new ATOM 12 N PRO A 1 -21.698 -2.828 -7.072 1.00 1.23 N ATOM 13 CA PRO A 1 -20.300 -3.134 -7.365 1.00 1.19 C ATOM 14 C PRO A 1 -19.336 -2.356 -6.472 1.00 1.24 C ATOM 15 O PRO A 1 -19.533 -1.167 -6.221 1.00 2.06 O ATOM 16 CB PRO A 1 -20.166 -2.683 -8.816 1.00 1.18 C ATOM 17 CG PRO A 1 -21.091 -1.515 -8.928 1.00 1.26 C ATOM 18 CD PRO A 1 -22.212 -1.754 -7.942 1.00 1.24 C ATOM 0 HA PRO A 1 -20.054 -4.182 -7.194 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.140 -2.401 -9.052 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.445 -3.479 -9.507 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.569 -0.585 -8.703 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.480 -1.425 -9.942 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.441 -0.854 -7.372 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.130 -2.054 -8.447 1.00 1.24 H new ATOM 26 N ILE A 2 -18.293 -3.030 -5.995 1.00 0.68 N ATOM 27 CA ILE A 2 -17.308 -2.390 -5.131 1.00 0.61 C ATOM 28 C ILE A 2 -16.002 -2.129 -5.878 1.00 0.57 C ATOM 29 O ILE A 2 -15.600 -2.912 -6.740 1.00 0.63 O ATOM 30 CB ILE A 2 -17.004 -3.238 -3.878 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.080 -2.465 -2.921 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.385 -4.569 -4.287 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.381 -3.322 -1.879 1.00 0.56 C ATOM 0 H ILE A 2 -18.109 -4.014 -6.191 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.745 -1.442 -4.818 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.936 -3.443 -3.351 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.324 -1.945 -3.509 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.667 -1.702 -2.409 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.174 -5.161 -3.396 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.080 -5.112 -4.927 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.458 -4.387 -4.830 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.752 -2.691 -1.251 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.126 -3.822 -1.260 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.763 -4.069 -2.377 1.00 0.56 H new ATOM 45 N ASP A 3 -15.342 -1.029 -5.533 1.00 0.55 N ATOM 46 CA ASP A 3 -14.077 -0.663 -6.155 1.00 0.54 C ATOM 47 C ASP A 3 -13.014 -0.431 -5.083 1.00 0.47 C ATOM 48 O ASP A 3 -13.265 0.253 -4.091 1.00 0.49 O ATOM 49 CB ASP A 3 -14.247 0.596 -7.009 1.00 0.61 C ATOM 50 CG ASP A 3 -15.607 1.240 -6.828 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.554 0.839 -7.537 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.727 2.147 -5.976 1.00 2.00 O ATOM 0 H ASP A 3 -15.665 -0.373 -4.822 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.756 -1.481 -6.801 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -13.470 1.315 -6.749 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.106 0.341 -8.059 1.00 0.61 H new ATOM 57 N PRO A 4 -11.811 -1.000 -5.261 1.00 0.44 N ATOM 58 CA PRO A 4 -10.723 -0.850 -4.294 1.00 0.41 C ATOM 59 C PRO A 4 -10.025 0.505 -4.399 1.00 0.38 C ATOM 60 O PRO A 4 -10.288 1.280 -5.317 1.00 0.43 O ATOM 61 CB PRO A 4 -9.774 -1.986 -4.674 1.00 0.45 C ATOM 62 CG PRO A 4 -9.965 -2.146 -6.142 1.00 0.50 C ATOM 63 CD PRO A 4 -11.416 -1.840 -6.411 1.00 0.50 C ATOM 0 HA PRO A 4 -11.075 -0.893 -3.263 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.740 -1.739 -4.431 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.017 -2.904 -4.138 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.315 -1.469 -6.696 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.715 -3.158 -6.459 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.546 -1.313 -7.356 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.014 -2.749 -6.468 1.00 0.50 H new ATOM 71 N PRO A 5 -9.123 0.807 -3.449 1.00 0.37 N ATOM 72 CA PRO A 5 -8.380 2.073 -3.423 1.00 0.39 C ATOM 73 C PRO A 5 -7.543 2.286 -4.675 1.00 0.38 C ATOM 74 O PRO A 5 -7.057 1.332 -5.280 1.00 0.47 O ATOM 75 CB PRO A 5 -7.466 1.932 -2.202 1.00 0.46 C ATOM 76 CG PRO A 5 -7.414 0.473 -1.929 1.00 0.71 C ATOM 77 CD PRO A 5 -8.752 -0.059 -2.321 1.00 0.43 C ATOM 0 HA PRO A 5 -9.054 2.929 -3.377 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.472 2.332 -2.404 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.862 2.480 -1.347 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.619 -0.005 -2.502 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.208 0.279 -0.876 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.701 -1.108 -2.614 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.471 0.009 -1.504 1.00 0.43 H new ATOM 85 N GLY A 6 -7.373 3.547 -5.053 1.00 0.37 N ATOM 86 CA GLY A 6 -6.585 3.866 -6.228 1.00 0.39 C ATOM 87 C GLY A 6 -5.192 3.267 -6.161 1.00 0.42 C ATOM 88 O GLY A 6 -4.723 2.897 -5.084 1.00 0.66 O ATOM 0 H GLY A 6 -7.766 4.353 -4.568 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.095 3.497 -7.118 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.509 4.949 -6.330 1.00 0.39 H new ATOM 92 N LYS A 7 -4.525 3.172 -7.307 1.00 0.41 N ATOM 93 CA LYS A 7 -3.177 2.617 -7.358 1.00 0.44 C ATOM 94 C LYS A 7 -2.247 3.418 -6.445 1.00 0.37 C ATOM 95 O LYS A 7 -2.257 4.649 -6.483 1.00 0.42 O ATOM 96 CB LYS A 7 -2.653 2.633 -8.795 1.00 0.54 C ATOM 97 CG LYS A 7 -1.383 1.822 -8.990 1.00 0.64 C ATOM 98 CD LYS A 7 -0.139 2.661 -8.739 1.00 1.01 C ATOM 99 CE LYS A 7 1.079 2.089 -9.452 1.00 0.95 C ATOM 100 NZ LYS A 7 1.046 0.602 -9.514 1.00 1.52 N ATOM 0 H LYS A 7 -4.894 3.471 -8.210 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.207 1.584 -7.011 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.426 2.246 -9.459 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.464 3.665 -9.092 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.389 0.967 -8.313 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.356 1.425 -10.005 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.314 3.682 -9.079 1.00 1.01 H new ATOM 0 HD3 LYS A 7 0.056 2.711 -7.668 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.129 2.492 -10.463 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.984 2.410 -8.936 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.975 0.247 -9.819 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.821 0.220 -8.573 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.319 0.299 -10.193 1.00 1.52 H new ATOM 114 N PRO A 8 -1.434 2.751 -5.599 1.00 0.34 N ATOM 115 CA PRO A 8 -0.521 3.436 -4.681 1.00 0.32 C ATOM 116 C PRO A 8 0.753 3.923 -5.367 1.00 0.33 C ATOM 117 O PRO A 8 1.444 3.157 -6.038 1.00 0.44 O ATOM 118 CB PRO A 8 -0.188 2.360 -3.629 1.00 0.39 C ATOM 119 CG PRO A 8 -1.056 1.190 -3.967 1.00 0.44 C ATOM 120 CD PRO A 8 -1.323 1.296 -5.438 1.00 0.41 C ATOM 0 HA PRO A 8 -0.974 4.335 -4.263 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.867 2.089 -3.665 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.391 2.721 -2.621 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.559 0.251 -3.726 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -1.985 1.214 -3.397 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.514 0.876 -6.035 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.237 0.778 -5.730 1.00 0.41 H new ATOM 128 N VAL A 9 1.056 5.204 -5.185 1.00 0.34 N ATOM 129 CA VAL A 9 2.246 5.811 -5.773 1.00 0.38 C ATOM 130 C VAL A 9 3.119 6.432 -4.685 1.00 0.34 C ATOM 131 O VAL A 9 2.739 7.432 -4.075 1.00 0.35 O ATOM 132 CB VAL A 9 1.876 6.902 -6.794 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.056 7.203 -7.705 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.658 6.490 -7.604 1.00 1.09 C ATOM 0 H VAL A 9 0.490 5.846 -4.631 1.00 0.34 H new ATOM 0 HA VAL A 9 2.794 5.019 -6.285 1.00 0.38 H new ATOM 0 HB VAL A 9 1.626 7.812 -6.248 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.776 7.976 -8.420 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.898 7.550 -7.107 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.341 6.298 -8.242 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.414 7.275 -8.319 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.873 5.565 -8.140 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.188 6.333 -6.935 1.00 1.09 H new ATOM 144 N PRO A 10 4.297 5.846 -4.412 1.00 0.34 N ATOM 145 CA PRO A 10 5.196 6.354 -3.380 1.00 0.32 C ATOM 146 C PRO A 10 5.591 7.811 -3.579 1.00 0.37 C ATOM 147 O PRO A 10 6.454 8.121 -4.401 1.00 0.64 O ATOM 148 CB PRO A 10 6.431 5.465 -3.481 1.00 0.38 C ATOM 149 CG PRO A 10 5.979 4.233 -4.185 1.00 0.39 C ATOM 150 CD PRO A 10 4.833 4.644 -5.070 1.00 0.42 C ATOM 0 HA PRO A 10 4.707 6.326 -2.406 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.228 5.962 -4.033 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.827 5.229 -2.493 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.789 3.803 -4.774 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.665 3.471 -3.471 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.168 4.859 -6.085 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.081 3.858 -5.142 1.00 0.42 H new ATOM 158 N LEU A 11 4.974 8.703 -2.809 1.00 0.34 N ATOM 159 CA LEU A 11 5.297 10.121 -2.897 1.00 0.43 C ATOM 160 C LEU A 11 6.721 10.337 -2.404 1.00 0.43 C ATOM 161 O LEU A 11 7.426 11.237 -2.860 1.00 0.57 O ATOM 162 CB LEU A 11 4.330 10.960 -2.059 1.00 0.56 C ATOM 163 CG LEU A 11 2.872 10.496 -2.072 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.361 10.311 -0.650 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.005 11.492 -2.828 1.00 1.64 C ATOM 0 H LEU A 11 4.255 8.471 -2.124 1.00 0.34 H new ATOM 0 HA LEU A 11 5.206 10.437 -3.936 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.682 10.966 -1.027 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.368 11.990 -2.414 1.00 0.56 H new ATOM 0 HG LEU A 11 2.818 9.535 -2.584 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.323 9.981 -0.677 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.967 9.562 -0.140 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.427 11.258 -0.114 1.00 1.12 H new ATOM 0 HD21 LEU A 11 0.971 11.148 -2.828 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.063 12.466 -2.343 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.359 11.577 -3.855 1.00 1.64 H new ATOM 177 N ASN A 12 7.127 9.489 -1.462 1.00 0.34 N ATOM 178 CA ASN A 12 8.458 9.550 -0.881 1.00 0.36 C ATOM 179 C ASN A 12 8.905 8.159 -0.444 1.00 0.37 C ATOM 180 O ASN A 12 8.084 7.258 -0.281 1.00 0.58 O ATOM 181 CB ASN A 12 8.469 10.495 0.319 1.00 0.42 C ATOM 182 CG ASN A 12 9.873 10.848 0.767 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.422 11.877 0.376 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.462 9.990 1.592 1.00 0.71 N ATOM 0 H ASN A 12 6.542 8.744 -1.084 1.00 0.34 H new ATOM 0 HA ASN A 12 9.149 9.926 -1.636 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.932 11.409 0.063 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.933 10.032 1.147 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.408 10.172 1.927 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.968 9.149 1.890 1.00 0.71 H new ATOM 191 N ILE A 13 10.205 7.990 -0.251 1.00 0.38 N ATOM 192 CA ILE A 13 10.752 6.712 0.175 1.00 0.43 C ATOM 193 C ILE A 13 12.038 6.926 0.964 1.00 0.53 C ATOM 194 O ILE A 13 13.138 6.913 0.410 1.00 0.75 O ATOM 195 CB ILE A 13 11.016 5.777 -1.022 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.643 6.552 -2.192 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.721 5.090 -1.446 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.653 7.341 -3.028 1.00 0.96 C ATOM 0 H ILE A 13 10.901 8.724 -0.383 1.00 0.38 H new ATOM 0 HA ILE A 13 10.011 6.233 0.815 1.00 0.43 H new ATOM 0 HB ILE A 13 11.727 5.009 -0.717 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.393 7.238 -1.797 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.165 5.847 -2.839 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.918 4.432 -2.292 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.331 4.504 -0.614 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.988 5.843 -1.735 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.183 7.856 -3.830 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.917 6.662 -3.457 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.148 8.073 -2.398 1.00 0.96 H new ATOM 210 N THR A 14 11.878 7.143 2.266 1.00 0.59 N ATOM 211 CA THR A 14 13.005 7.386 3.163 1.00 0.71 C ATOM 212 C THR A 14 13.744 6.107 3.526 1.00 0.79 C ATOM 213 O THR A 14 13.772 5.731 4.699 1.00 1.46 O ATOM 214 CB THR A 14 12.504 8.048 4.441 1.00 0.75 C ATOM 215 OG1 THR A 14 11.354 8.835 4.184 1.00 0.69 O ATOM 216 CG2 THR A 14 13.534 8.935 5.105 1.00 0.94 C ATOM 0 H THR A 14 10.969 7.156 2.728 1.00 0.59 H new ATOM 0 HA THR A 14 13.703 8.037 2.637 1.00 0.71 H new ATOM 0 HB THR A 14 12.274 7.225 5.117 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.549 8.293 4.322 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.109 9.373 6.008 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.410 8.342 5.367 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.826 9.730 4.419 1.00 0.94 H new ATOM 224 N ARG A 15 14.351 5.465 2.517 1.00 0.66 N ATOM 225 CA ARG A 15 15.125 4.220 2.688 1.00 0.67 C ATOM 226 C ARG A 15 14.792 3.468 3.980 1.00 0.71 C ATOM 227 O ARG A 15 15.682 3.032 4.708 1.00 1.19 O ATOM 228 CB ARG A 15 16.622 4.530 2.645 1.00 0.80 C ATOM 229 CG ARG A 15 17.009 5.797 3.392 1.00 0.96 C ATOM 230 CD ARG A 15 17.340 5.515 4.847 1.00 1.13 C ATOM 231 NE ARG A 15 18.574 6.177 5.266 1.00 1.43 N ATOM 232 CZ ARG A 15 19.281 5.812 6.332 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.876 4.797 7.082 1.00 2.42 N ATOM 234 NH2 ARG A 15 20.394 6.461 6.648 1.00 1.90 N ATOM 0 H ARG A 15 14.320 5.795 1.552 1.00 0.66 H new ATOM 0 HA ARG A 15 14.845 3.565 1.863 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.170 3.688 3.068 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.934 4.623 1.605 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.869 6.257 2.906 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.191 6.515 3.338 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.517 5.850 5.478 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.437 4.439 4.995 1.00 1.13 H new ATOM 0 HE ARG A 15 18.912 6.963 4.710 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.021 4.295 6.842 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.419 4.518 7.899 1.00 2.42 H new ATOM 0 HH21 ARG A 15 20.710 7.242 6.073 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.934 6.179 7.466 1.00 1.90 H new ATOM 248 N HIS A 16 13.499 3.315 4.237 1.00 0.50 N ATOM 249 CA HIS A 16 13.009 2.607 5.420 1.00 0.54 C ATOM 250 C HIS A 16 11.535 2.898 5.638 1.00 0.57 C ATOM 251 O HIS A 16 10.796 2.069 6.169 1.00 0.97 O ATOM 252 CB HIS A 16 13.825 2.951 6.667 1.00 0.67 C ATOM 253 CG HIS A 16 14.803 1.872 7.015 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.378 1.711 8.255 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.303 0.877 6.239 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.192 0.645 8.192 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.179 0.105 6.991 1.00 0.86 N ATOM 0 H HIS A 16 12.759 3.676 3.635 1.00 0.50 H new ATOM 0 HA HIS A 16 13.131 1.539 5.242 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.361 3.886 6.503 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.151 3.113 7.508 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.215 2.296 9.074 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.058 0.712 5.200 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.781 0.278 9.019 1.00 1.02 H new ATOM 265 N THR A 17 11.108 4.073 5.201 1.00 0.43 N ATOM 266 CA THR A 17 9.717 4.468 5.318 1.00 0.42 C ATOM 267 C THR A 17 9.183 4.877 3.953 1.00 0.38 C ATOM 268 O THR A 17 9.255 6.046 3.571 1.00 0.56 O ATOM 269 CB THR A 17 9.550 5.622 6.303 1.00 0.56 C ATOM 270 OG1 THR A 17 10.756 6.351 6.440 1.00 0.65 O ATOM 271 CG2 THR A 17 9.121 5.174 7.683 1.00 0.68 C ATOM 0 H THR A 17 11.709 4.770 4.761 1.00 0.43 H new ATOM 0 HA THR A 17 9.152 3.615 5.695 1.00 0.42 H new ATOM 0 HB THR A 17 8.763 6.246 5.881 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.575 7.307 6.327 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.021 6.043 8.333 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.163 4.658 7.617 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.870 4.497 8.095 1.00 0.68 H new ATOM 279 N VAL A 18 8.651 3.906 3.221 1.00 0.27 N ATOM 280 CA VAL A 18 8.109 4.174 1.896 1.00 0.33 C ATOM 281 C VAL A 18 6.723 4.804 2.015 1.00 0.32 C ATOM 282 O VAL A 18 5.786 4.185 2.515 1.00 0.51 O ATOM 283 CB VAL A 18 8.054 2.891 1.033 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.328 3.151 -0.279 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.459 2.364 0.763 1.00 0.46 C ATOM 0 H VAL A 18 8.584 2.933 3.520 1.00 0.27 H new ATOM 0 HA VAL A 18 8.776 4.875 1.394 1.00 0.33 H new ATOM 0 HB VAL A 18 7.500 2.135 1.589 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.302 2.234 -0.868 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.309 3.478 -0.072 1.00 0.80 H new ATOM 0 HG13 VAL A 18 7.852 3.927 -0.837 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.398 1.462 0.155 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.036 3.121 0.232 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.949 2.132 1.709 1.00 0.46 H new ATOM 295 N THR A 19 6.616 6.052 1.572 1.00 0.27 N ATOM 296 CA THR A 19 5.367 6.804 1.638 1.00 0.24 C ATOM 297 C THR A 19 4.583 6.754 0.326 1.00 0.22 C ATOM 298 O THR A 19 4.981 7.379 -0.653 1.00 0.34 O ATOM 299 CB THR A 19 5.685 8.262 1.999 1.00 0.28 C ATOM 300 OG1 THR A 19 6.026 8.376 3.369 1.00 0.35 O ATOM 301 CG2 THR A 19 4.551 9.230 1.728 1.00 0.32 C ATOM 0 H THR A 19 7.391 6.570 1.158 1.00 0.27 H new ATOM 0 HA THR A 19 4.738 6.345 2.401 1.00 0.24 H new ATOM 0 HB THR A 19 6.520 8.531 1.352 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.226 9.312 3.580 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.857 10.237 2.010 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.302 9.210 0.667 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.677 8.939 2.311 1.00 0.32 H new ATOM 309 N LEU A 20 3.454 6.035 0.320 1.00 0.28 N ATOM 310 CA LEU A 20 2.620 5.946 -0.878 1.00 0.26 C ATOM 311 C LEU A 20 1.233 6.523 -0.635 1.00 0.28 C ATOM 312 O LEU A 20 0.675 6.423 0.460 1.00 0.40 O ATOM 313 CB LEU A 20 2.497 4.509 -1.417 1.00 0.33 C ATOM 314 CG LEU A 20 2.755 3.376 -0.425 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.189 3.418 0.054 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.790 3.435 0.746 1.00 0.52 C ATOM 0 H LEU A 20 3.102 5.513 1.123 1.00 0.28 H new ATOM 0 HA LEU A 20 3.128 6.541 -1.637 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.493 4.383 -1.823 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.193 4.397 -2.248 1.00 0.33 H new ATOM 0 HG LEU A 20 2.587 2.429 -0.939 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.361 2.606 0.760 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.860 3.306 -0.797 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.381 4.372 0.545 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.001 2.615 1.433 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.908 4.385 1.267 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.767 3.347 0.379 1.00 0.52 H new ATOM 328 N LYS A 21 0.693 7.129 -1.683 1.00 0.25 N ATOM 329 CA LYS A 21 -0.632 7.743 -1.639 1.00 0.31 C ATOM 330 C LYS A 21 -1.424 7.337 -2.881 1.00 0.31 C ATOM 331 O LYS A 21 -0.861 7.210 -3.969 1.00 0.51 O ATOM 332 CB LYS A 21 -0.489 9.277 -1.528 1.00 0.40 C ATOM 333 CG LYS A 21 -1.582 10.095 -2.215 1.00 0.81 C ATOM 334 CD LYS A 21 -2.902 10.019 -1.467 1.00 0.95 C ATOM 335 CE LYS A 21 -3.762 11.244 -1.738 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.649 11.697 -3.151 1.00 1.84 N ATOM 0 H LYS A 21 1.158 7.210 -2.587 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.179 7.394 -0.763 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.469 9.546 -0.472 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.474 9.565 -1.949 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.265 11.135 -2.287 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.721 9.732 -3.234 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.441 9.120 -1.767 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.712 9.935 -0.397 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.803 11.014 -1.512 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.462 12.053 -1.072 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.477 12.277 -3.397 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.784 12.262 -3.266 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.608 10.869 -3.779 1.00 1.84 H new ATOM 350 N TRP A 22 -2.724 7.128 -2.716 1.00 0.25 N ATOM 351 CA TRP A 22 -3.564 6.730 -3.836 1.00 0.24 C ATOM 352 C TRP A 22 -4.841 7.552 -3.910 1.00 0.24 C ATOM 353 O TRP A 22 -5.053 8.474 -3.123 1.00 0.40 O ATOM 354 CB TRP A 22 -3.911 5.252 -3.722 1.00 0.27 C ATOM 355 CG TRP A 22 -4.505 4.881 -2.401 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.812 4.603 -2.144 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.813 4.750 -1.155 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.978 4.298 -0.815 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.765 4.383 -0.186 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.480 4.904 -0.767 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.425 4.169 1.148 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.143 4.693 0.557 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.113 4.328 1.501 1.00 0.32 C ATOM 0 H TRP A 22 -3.215 7.226 -1.827 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.000 6.910 -4.751 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.612 4.989 -4.514 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.010 4.661 -3.885 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.604 4.620 -2.878 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.861 4.049 -0.369 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.726 5.183 -1.488 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.170 3.888 1.877 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.116 4.811 0.869 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.818 4.169 2.528 1.00 0.32 H new ATOM 374 N ALA A 23 -5.689 7.205 -4.872 1.00 0.31 N ATOM 375 CA ALA A 23 -6.951 7.899 -5.070 1.00 0.33 C ATOM 376 C ALA A 23 -8.082 7.203 -4.326 1.00 0.36 C ATOM 377 O ALA A 23 -7.857 6.255 -3.576 1.00 0.83 O ATOM 378 CB ALA A 23 -7.273 7.987 -6.553 1.00 0.36 C ATOM 0 H ALA A 23 -5.522 6.443 -5.529 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.851 8.907 -4.667 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.220 8.509 -6.689 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.481 8.533 -7.066 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.349 6.982 -6.969 1.00 0.36 H new ATOM 384 N LYS A 24 -9.301 7.682 -4.540 1.00 0.59 N ATOM 385 CA LYS A 24 -10.468 7.105 -3.891 1.00 0.61 C ATOM 386 C LYS A 24 -11.398 6.466 -4.920 1.00 0.59 C ATOM 387 O LYS A 24 -11.720 7.084 -5.936 1.00 0.69 O ATOM 388 CB LYS A 24 -11.222 8.178 -3.102 1.00 0.74 C ATOM 389 CG LYS A 24 -12.380 7.630 -2.282 1.00 1.21 C ATOM 390 CD LYS A 24 -13.594 7.346 -3.150 1.00 1.22 C ATOM 391 CE LYS A 24 -14.882 7.787 -2.473 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.916 6.716 -2.493 1.00 2.11 N ATOM 0 H LYS A 24 -9.506 8.468 -5.157 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.127 6.332 -3.203 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.524 8.685 -2.436 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.602 8.928 -3.796 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.069 6.714 -1.779 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.647 8.346 -1.505 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.489 7.862 -4.104 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.644 6.279 -3.369 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.671 8.069 -1.441 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.269 8.675 -2.973 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.778 7.057 -2.022 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.136 6.464 -3.478 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.557 5.877 -1.993 1.00 2.11 H new ATOM 406 N PRO A 25 -11.847 5.219 -4.675 1.00 0.56 N ATOM 407 CA PRO A 25 -12.739 4.493 -5.574 1.00 0.63 C ATOM 408 C PRO A 25 -13.757 5.400 -6.256 1.00 0.75 C ATOM 409 O PRO A 25 -14.068 6.484 -5.763 1.00 0.89 O ATOM 410 CB PRO A 25 -13.447 3.493 -4.647 1.00 0.63 C ATOM 411 CG PRO A 25 -12.787 3.615 -3.305 1.00 0.71 C ATOM 412 CD PRO A 25 -11.524 4.402 -3.506 1.00 0.58 C ATOM 0 HA PRO A 25 -12.191 4.025 -6.392 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.512 3.716 -4.577 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.358 2.477 -5.032 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.445 4.117 -2.596 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.566 2.630 -2.893 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.284 5.014 -2.636 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.666 3.754 -3.687 1.00 0.58 H new ATOM 420 N GLU A 26 -14.268 4.949 -7.395 1.00 0.85 N ATOM 421 CA GLU A 26 -15.246 5.720 -8.150 1.00 1.05 C ATOM 422 C GLU A 26 -16.673 5.265 -7.852 1.00 0.95 C ATOM 423 O GLU A 26 -17.629 5.970 -8.173 1.00 1.12 O ATOM 424 CB GLU A 26 -14.968 5.601 -9.650 1.00 1.29 C ATOM 425 CG GLU A 26 -13.722 6.346 -10.098 1.00 1.83 C ATOM 426 CD GLU A 26 -13.913 7.054 -11.425 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.890 6.372 -12.471 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.085 8.291 -11.418 1.00 2.77 O ATOM 0 H GLU A 26 -14.021 4.053 -7.816 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.153 6.762 -7.843 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -14.864 4.547 -9.909 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.827 5.982 -10.202 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.446 7.076 -9.337 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -12.893 5.643 -10.181 1.00 1.83 H new ATOM 435 N TYR A 27 -16.820 4.088 -7.246 1.00 0.85 N ATOM 436 CA TYR A 27 -18.147 3.573 -6.933 1.00 0.84 C ATOM 437 C TYR A 27 -18.233 3.015 -5.513 1.00 0.86 C ATOM 438 O TYR A 27 -18.867 3.614 -4.644 1.00 1.37 O ATOM 439 CB TYR A 27 -18.549 2.498 -7.944 1.00 0.86 C ATOM 440 CG TYR A 27 -20.041 2.405 -8.153 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.833 1.644 -7.304 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.658 3.081 -9.198 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.199 1.556 -7.489 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.024 3.000 -9.390 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.790 2.236 -8.534 1.00 1.19 C ATOM 446 OH TYR A 27 -24.151 2.152 -8.721 1.00 1.35 O ATOM 0 H TYR A 27 -16.048 3.483 -6.966 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.841 4.411 -6.996 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.068 2.709 -8.899 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.175 1.532 -7.605 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.373 1.112 -6.485 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.061 3.679 -9.871 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.801 0.959 -6.820 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.490 3.532 -10.206 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.408 2.690 -9.499 1.00 1.35 H new ATOM 456 N THR A 28 -17.609 1.862 -5.281 1.00 0.65 N ATOM 457 CA THR A 28 -17.642 1.229 -3.963 1.00 0.61 C ATOM 458 C THR A 28 -19.070 1.131 -3.456 1.00 0.66 C ATOM 459 O THR A 28 -19.398 1.642 -2.386 1.00 0.81 O ATOM 460 CB THR A 28 -16.779 1.994 -2.963 1.00 0.64 C ATOM 461 OG1 THR A 28 -16.937 3.393 -3.121 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.308 1.675 -3.093 1.00 0.79 C ATOM 0 H THR A 28 -17.077 1.349 -5.984 1.00 0.65 H new ATOM 0 HA THR A 28 -17.234 0.223 -4.065 1.00 0.61 H new ATOM 0 HB THR A 28 -17.122 1.676 -1.978 1.00 0.64 H new ATOM 0 HG1 THR A 28 -17.887 3.604 -3.234 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.745 2.248 -2.357 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.150 0.610 -2.922 1.00 0.79 H new ATOM 0 HG23 THR A 28 -14.966 1.936 -4.095 1.00 0.79 H new ATOM 470 N GLY A 29 -19.918 0.468 -4.240 1.00 0.75 N ATOM 471 CA GLY A 29 -21.315 0.303 -3.871 1.00 0.80 C ATOM 472 C GLY A 29 -21.917 1.572 -3.286 1.00 0.85 C ATOM 473 O GLY A 29 -22.387 2.444 -4.017 1.00 1.01 O ATOM 0 H GLY A 29 -19.660 0.040 -5.129 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.887 0.005 -4.750 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.403 -0.505 -3.145 1.00 0.80 H new ATOM 477 N GLY A 30 -21.883 1.670 -1.965 1.00 0.83 N ATOM 478 CA GLY A 30 -22.408 2.833 -1.273 1.00 0.89 C ATOM 479 C GLY A 30 -21.740 2.990 0.074 1.00 0.85 C ATOM 480 O GLY A 30 -22.354 3.432 1.046 1.00 0.98 O ATOM 0 H GLY A 30 -21.495 0.954 -1.351 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.243 3.727 -1.874 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.485 2.731 -1.142 1.00 0.89 H new ATOM 484 N PHE A 31 -20.475 2.593 0.119 1.00 0.73 N ATOM 485 CA PHE A 31 -19.677 2.638 1.334 1.00 0.69 C ATOM 486 C PHE A 31 -18.608 3.723 1.265 1.00 0.67 C ATOM 487 O PHE A 31 -18.629 4.582 0.385 1.00 0.74 O ATOM 488 CB PHE A 31 -19.019 1.273 1.568 1.00 0.63 C ATOM 489 CG PHE A 31 -19.656 0.137 0.805 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.808 -0.484 1.276 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.095 -0.308 -0.379 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.383 -1.525 0.571 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.666 -1.348 -1.086 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.845 -1.952 -0.588 1.00 0.83 C ATOM 0 H PHE A 31 -19.973 2.229 -0.691 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.341 2.877 2.165 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.967 1.337 1.290 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.053 1.044 2.633 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.257 -0.150 2.200 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.199 0.164 -0.755 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.274 -2.001 0.954 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.219 -1.695 -2.006 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.314 -2.755 -1.137 1.00 0.83 H new ATOM 504 N LYS A 32 -17.675 3.672 2.212 1.00 0.68 N ATOM 505 CA LYS A 32 -16.589 4.649 2.276 1.00 0.72 C ATOM 506 C LYS A 32 -15.279 4.006 2.746 1.00 0.66 C ATOM 507 O LYS A 32 -14.374 4.698 3.211 1.00 0.74 O ATOM 508 CB LYS A 32 -16.973 5.797 3.214 1.00 0.86 C ATOM 509 CG LYS A 32 -16.111 7.039 3.052 1.00 1.38 C ATOM 510 CD LYS A 32 -16.343 8.029 4.181 1.00 1.38 C ATOM 511 CE LYS A 32 -15.590 7.629 5.441 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.798 8.604 6.546 1.00 2.26 N ATOM 0 H LYS A 32 -17.648 2.965 2.946 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.429 5.037 1.270 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.015 6.064 3.038 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.903 5.450 4.245 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.060 6.753 3.028 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.333 7.516 2.097 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.024 9.022 3.866 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.409 8.091 4.398 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.919 6.641 5.762 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.525 7.554 5.219 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.268 8.295 7.386 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.460 9.542 6.249 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.811 8.657 6.776 1.00 2.26 H new ATOM 526 N ILE A 33 -15.179 2.685 2.619 1.00 0.67 N ATOM 527 CA ILE A 33 -13.972 1.965 3.030 1.00 0.66 C ATOM 528 C ILE A 33 -13.732 2.109 4.534 1.00 0.80 C ATOM 529 O ILE A 33 -14.025 1.196 5.306 1.00 1.71 O ATOM 530 CB ILE A 33 -12.728 2.455 2.253 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.911 2.231 0.749 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.479 1.734 2.738 1.00 0.58 C ATOM 533 CD1 ILE A 33 -14.034 3.039 0.141 1.00 0.91 C ATOM 0 H ILE A 33 -15.915 2.091 2.237 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.132 0.912 2.797 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.611 3.523 2.436 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.980 2.480 0.239 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.100 1.173 0.570 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.613 2.091 2.180 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.334 1.932 3.800 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.594 0.661 2.582 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -14.100 2.825 -0.926 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.975 2.774 0.623 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.838 4.101 0.287 1.00 0.91 H new ATOM 545 N THR A 34 -13.210 3.266 4.941 1.00 0.72 N ATOM 546 CA THR A 34 -12.937 3.558 6.353 1.00 0.73 C ATOM 547 C THR A 34 -11.631 2.926 6.843 1.00 0.59 C ATOM 548 O THR A 34 -11.196 3.200 7.961 1.00 0.76 O ATOM 549 CB THR A 34 -14.098 3.102 7.248 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.929 1.754 7.651 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.456 3.223 6.590 1.00 1.15 C ATOM 0 H THR A 34 -12.964 4.026 4.306 1.00 0.72 H new ATOM 0 HA THR A 34 -12.830 4.640 6.424 1.00 0.73 H new ATOM 0 HB THR A 34 -14.073 3.774 8.106 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.001 1.167 6.869 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.227 2.883 7.281 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.640 4.264 6.325 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.480 2.609 5.690 1.00 1.15 H new ATOM 559 N SER A 35 -11.005 2.085 6.023 1.00 0.49 N ATOM 560 CA SER A 35 -9.753 1.443 6.429 1.00 0.47 C ATOM 561 C SER A 35 -8.973 0.884 5.240 1.00 0.45 C ATOM 562 O SER A 35 -9.445 -0.013 4.543 1.00 0.72 O ATOM 563 CB SER A 35 -10.042 0.315 7.420 1.00 0.64 C ATOM 564 OG SER A 35 -11.286 0.510 8.070 1.00 1.58 O ATOM 0 H SER A 35 -11.334 1.834 5.091 1.00 0.49 H new ATOM 0 HA SER A 35 -9.138 2.210 6.899 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.049 -0.641 6.896 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.245 0.266 8.162 1.00 0.64 H new ATOM 0 HG SER A 35 -11.446 -0.226 8.697 1.00 1.58 H new ATOM 570 N TYR A 36 -7.765 1.408 5.026 1.00 0.27 N ATOM 571 CA TYR A 36 -6.913 0.948 3.936 1.00 0.28 C ATOM 572 C TYR A 36 -5.799 0.048 4.473 1.00 0.33 C ATOM 573 O TYR A 36 -5.307 0.249 5.580 1.00 0.68 O ATOM 574 CB TYR A 36 -6.310 2.139 3.191 1.00 0.29 C ATOM 575 CG TYR A 36 -7.336 2.987 2.478 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.093 2.467 1.435 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.550 4.309 2.848 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.031 3.240 0.779 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.487 5.089 2.197 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.226 4.547 1.163 1.00 0.60 C ATOM 581 OH TYR A 36 -10.159 5.323 0.515 1.00 0.76 O ATOM 0 H TYR A 36 -7.358 2.151 5.594 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.525 0.373 3.241 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.765 2.762 3.900 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.585 1.773 2.464 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.945 1.441 1.132 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.975 4.734 3.657 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.609 2.821 -0.031 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.641 6.116 2.495 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.171 6.219 0.911 1.00 0.76 H new ATOM 591 N ILE A 37 -5.407 -0.945 3.685 1.00 0.24 N ATOM 592 CA ILE A 37 -4.350 -1.864 4.094 1.00 0.26 C ATOM 593 C ILE A 37 -3.404 -2.128 2.932 1.00 0.33 C ATOM 594 O ILE A 37 -3.763 -2.826 1.985 1.00 0.70 O ATOM 595 CB ILE A 37 -4.895 -3.225 4.589 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.248 -3.085 5.300 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.885 -3.874 5.521 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.270 -4.104 4.846 1.00 1.14 C ATOM 0 H ILE A 37 -5.802 -1.135 2.764 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.830 -1.380 4.921 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.052 -3.855 3.713 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.098 -3.185 6.375 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.641 -2.083 5.125 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.273 -4.832 5.867 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.948 -4.033 4.988 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.709 -3.223 6.377 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.203 -3.949 5.388 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.448 -3.990 3.777 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.896 -5.108 5.046 1.00 1.14 H new ATOM 610 N VAL A 38 -2.197 -1.572 2.998 1.00 0.36 N ATOM 611 CA VAL A 38 -1.228 -1.768 1.925 1.00 0.42 C ATOM 612 C VAL A 38 -0.290 -2.934 2.228 1.00 0.35 C ATOM 613 O VAL A 38 0.466 -2.914 3.200 1.00 0.48 O ATOM 614 CB VAL A 38 -0.438 -0.455 1.581 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.324 0.454 2.790 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.941 -0.720 0.973 1.00 0.51 C ATOM 0 H VAL A 38 -1.871 -0.991 3.770 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.795 -2.027 1.031 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.024 0.053 0.815 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.228 1.354 2.518 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.321 0.730 3.133 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.203 -0.068 3.589 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.433 0.229 0.759 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.545 -1.291 1.677 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.828 -1.287 0.049 1.00 0.51 H new ATOM 626 N GLU A 39 -0.350 -3.951 1.367 1.00 0.30 N ATOM 627 CA GLU A 39 0.484 -5.133 1.512 1.00 0.33 C ATOM 628 C GLU A 39 1.835 -4.916 0.856 1.00 0.32 C ATOM 629 O GLU A 39 1.991 -4.045 -0.001 1.00 0.43 O ATOM 630 CB GLU A 39 -0.198 -6.352 0.892 1.00 0.42 C ATOM 631 CG GLU A 39 -1.693 -6.411 1.143 1.00 0.51 C ATOM 632 CD GLU A 39 -2.058 -6.143 2.589 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.018 -7.097 3.394 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.387 -4.983 2.915 1.00 1.52 O ATOM 0 H GLU A 39 -0.973 -3.974 0.560 1.00 0.30 H new ATOM 0 HA GLU A 39 0.631 -5.313 2.577 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.019 -6.349 -0.183 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.264 -7.256 1.289 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.193 -5.681 0.506 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.066 -7.394 0.855 1.00 0.51 H new ATOM 641 N LYS A 40 2.806 -5.716 1.262 1.00 0.28 N ATOM 642 CA LYS A 40 4.151 -5.617 0.716 1.00 0.31 C ATOM 643 C LYS A 40 4.592 -6.911 0.072 1.00 0.29 C ATOM 644 O LYS A 40 4.154 -7.998 0.447 1.00 0.35 O ATOM 645 CB LYS A 40 5.171 -5.285 1.802 1.00 0.43 C ATOM 646 CG LYS A 40 4.876 -4.027 2.587 1.00 0.92 C ATOM 647 CD LYS A 40 6.143 -3.200 2.769 1.00 1.14 C ATOM 648 CE LYS A 40 6.724 -3.350 4.164 1.00 1.65 C ATOM 649 NZ LYS A 40 6.842 -4.778 4.567 1.00 1.97 N ATOM 0 H LYS A 40 2.689 -6.442 1.968 1.00 0.28 H new ATOM 0 HA LYS A 40 4.111 -4.821 -0.028 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.228 -6.124 2.496 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.153 -5.186 1.340 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.121 -3.436 2.068 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.462 -4.288 3.561 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.885 -3.507 2.032 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.921 -2.150 2.580 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.707 -2.881 4.200 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.092 -2.822 4.879 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.258 -4.837 5.518 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.899 -5.216 4.574 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.452 -5.280 3.891 1.00 1.97 H new ATOM 663 N ARG A 41 5.501 -6.781 -0.873 1.00 0.36 N ATOM 664 CA ARG A 41 6.061 -7.924 -1.552 1.00 0.40 C ATOM 665 C ARG A 41 7.573 -7.814 -1.498 1.00 0.41 C ATOM 666 O ARG A 41 8.189 -7.115 -2.310 1.00 0.43 O ATOM 667 CB ARG A 41 5.576 -8.025 -2.998 1.00 0.46 C ATOM 668 CG ARG A 41 6.039 -9.301 -3.686 1.00 0.58 C ATOM 669 CD ARG A 41 5.285 -9.554 -4.979 1.00 0.88 C ATOM 670 NE ARG A 41 4.290 -10.614 -4.838 1.00 0.95 N ATOM 671 CZ ARG A 41 3.639 -11.153 -5.865 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.876 -10.733 -7.100 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.751 -12.115 -5.657 1.00 1.44 N ATOM 0 H ARG A 41 5.869 -5.883 -1.188 1.00 0.36 H new ATOM 0 HA ARG A 41 5.729 -8.834 -1.051 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.487 -7.983 -3.015 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.937 -7.163 -3.559 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.106 -9.233 -3.896 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.900 -10.147 -3.013 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.792 -8.635 -5.296 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.992 -9.824 -5.763 1.00 0.88 H new ATOM 0 HE ARG A 41 4.083 -10.960 -3.901 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.560 -9.994 -7.265 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.375 -11.149 -7.885 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.566 -12.442 -4.709 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.252 -12.528 -6.445 1.00 1.44 H new ATOM 687 N ASP A 42 8.154 -8.494 -0.512 1.00 0.50 N ATOM 688 CA ASP A 42 9.596 -8.481 -0.307 1.00 0.57 C ATOM 689 C ASP A 42 10.289 -9.238 -1.429 1.00 0.62 C ATOM 690 O ASP A 42 10.603 -10.421 -1.291 1.00 0.91 O ATOM 691 CB ASP A 42 9.980 -9.105 1.046 1.00 0.71 C ATOM 692 CG ASP A 42 8.904 -8.982 2.114 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.978 -8.160 1.948 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.990 -9.713 3.123 1.00 1.59 O ATOM 0 H ASP A 42 7.642 -9.064 0.161 1.00 0.50 H new ATOM 0 HA ASP A 42 9.921 -7.440 -0.308 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.209 -10.160 0.896 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.892 -8.630 1.408 1.00 0.71 H new ATOM 699 N LEU A 43 10.520 -8.553 -2.535 1.00 0.63 N ATOM 700 CA LEU A 43 11.174 -9.165 -3.685 1.00 0.68 C ATOM 701 C LEU A 43 12.564 -9.677 -3.308 1.00 0.81 C ATOM 702 O LEU A 43 13.205 -9.133 -2.408 1.00 0.90 O ATOM 703 CB LEU A 43 11.268 -8.163 -4.837 1.00 0.62 C ATOM 704 CG LEU A 43 9.955 -7.451 -5.178 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.208 -6.260 -6.086 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.975 -8.416 -5.821 1.00 0.70 C ATOM 0 H LEU A 43 10.266 -7.574 -2.664 1.00 0.63 H new ATOM 0 HA LEU A 43 10.574 -10.015 -4.010 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.018 -7.412 -4.587 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.624 -8.685 -5.726 1.00 0.62 H new ATOM 0 HG LEU A 43 9.516 -7.084 -4.250 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.262 -5.770 -6.315 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.870 -5.554 -5.585 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.674 -6.600 -7.011 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.049 -7.891 -6.056 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.407 -8.817 -6.738 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.764 -9.234 -5.132 1.00 0.70 H new ATOM 718 N PRO A 44 13.052 -10.737 -3.983 1.00 0.92 N ATOM 719 CA PRO A 44 12.327 -11.420 -5.064 1.00 0.99 C ATOM 720 C PRO A 44 11.269 -12.399 -4.555 1.00 1.15 C ATOM 721 O PRO A 44 10.622 -13.086 -5.346 1.00 1.43 O ATOM 722 CB PRO A 44 13.439 -12.171 -5.790 1.00 1.15 C ATOM 723 CG PRO A 44 14.426 -12.491 -4.721 1.00 1.25 C ATOM 724 CD PRO A 44 14.371 -11.348 -3.740 1.00 1.08 C ATOM 0 HA PRO A 44 11.771 -10.719 -5.686 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.062 -13.076 -6.267 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.886 -11.560 -6.574 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.179 -13.434 -4.234 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.428 -12.599 -5.136 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.466 -11.698 -2.712 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.179 -10.636 -3.910 1.00 1.08 H new ATOM 732 N ASN A 45 11.090 -12.464 -3.237 1.00 1.14 N ATOM 733 CA ASN A 45 10.101 -13.367 -2.653 1.00 1.33 C ATOM 734 C ASN A 45 8.769 -12.651 -2.430 1.00 1.43 C ATOM 735 O ASN A 45 7.906 -12.652 -3.307 1.00 2.42 O ATOM 736 CB ASN A 45 10.609 -13.979 -1.337 1.00 1.66 C ATOM 737 CG ASN A 45 11.534 -13.059 -0.563 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.100 -12.329 0.329 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.818 -13.091 -0.901 1.00 1.89 N ATOM 0 H ASN A 45 11.611 -11.908 -2.559 1.00 1.14 H new ATOM 0 HA ASN A 45 9.941 -14.179 -3.363 1.00 1.33 H new ATOM 0 HB2 ASN A 45 9.755 -14.235 -0.710 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.133 -14.909 -1.556 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.488 -12.495 -0.415 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.134 -13.711 -1.647 1.00 1.89 H new ATOM 746 N GLY A 46 8.607 -12.038 -1.260 1.00 0.90 N ATOM 747 CA GLY A 46 7.377 -11.328 -0.956 1.00 1.12 C ATOM 748 C GLY A 46 6.144 -12.203 -1.067 1.00 0.76 C ATOM 749 O GLY A 46 6.161 -13.233 -1.740 1.00 0.96 O ATOM 0 H GLY A 46 9.306 -12.021 -0.517 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.438 -10.923 0.054 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.276 -10.480 -1.634 1.00 1.12 H new ATOM 753 N ARG A 47 5.071 -11.791 -0.400 1.00 0.80 N ATOM 754 CA ARG A 47 3.818 -12.542 -0.424 1.00 0.76 C ATOM 755 C ARG A 47 2.632 -11.637 -0.102 1.00 0.85 C ATOM 756 O ARG A 47 1.590 -12.104 0.358 1.00 1.71 O ATOM 757 CB ARG A 47 3.859 -13.718 0.565 1.00 0.99 C ATOM 758 CG ARG A 47 5.004 -13.661 1.570 1.00 1.31 C ATOM 759 CD ARG A 47 4.833 -12.510 2.549 1.00 1.11 C ATOM 760 NE ARG A 47 5.962 -12.403 3.468 1.00 1.41 N ATOM 761 CZ ARG A 47 6.126 -13.189 4.527 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.235 -14.132 4.800 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.180 -13.032 5.315 1.00 2.03 N ATOM 0 H ARG A 47 5.042 -10.942 0.164 1.00 0.80 H new ATOM 0 HA ARG A 47 3.694 -12.938 -1.432 1.00 0.76 H new ATOM 0 HB2 ARG A 47 2.916 -13.751 1.110 1.00 0.99 H new ATOM 0 HB3 ARG A 47 3.934 -14.648 0.001 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.054 -14.602 2.119 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.950 -13.550 1.039 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.725 -11.577 1.996 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.914 -12.651 3.118 1.00 1.11 H new ATOM 0 HE ARG A 47 6.664 -11.685 3.287 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.422 -14.255 4.197 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.363 -14.734 5.613 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.867 -12.307 5.109 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.304 -13.636 6.127 1.00 2.03 H new ATOM 777 N TRP A 48 2.796 -10.342 -0.350 1.00 0.50 N ATOM 778 CA TRP A 48 1.740 -9.372 -0.095 1.00 0.43 C ATOM 779 C TRP A 48 1.235 -9.463 1.341 1.00 0.45 C ATOM 780 O TRP A 48 0.230 -10.120 1.612 1.00 0.65 O ATOM 781 CB TRP A 48 0.590 -9.594 -1.070 1.00 0.47 C ATOM 782 CG TRP A 48 1.011 -9.444 -2.496 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.829 -10.346 -3.501 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.699 -8.329 -3.073 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.360 -9.859 -4.669 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.900 -8.623 -4.433 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.166 -7.110 -2.572 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.543 -7.744 -5.297 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.804 -6.241 -3.432 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.989 -6.560 -4.779 1.00 0.38 C ATOM 0 H TRP A 48 3.654 -9.940 -0.729 1.00 0.50 H new ATOM 0 HA TRP A 48 2.153 -8.374 -0.240 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.178 -10.592 -0.919 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.208 -8.884 -0.854 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.339 -11.303 -3.394 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.353 -10.340 -5.568 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.030 -6.854 -1.532 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.685 -7.988 -6.340 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.167 -5.296 -3.057 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.495 -5.857 -5.425 1.00 0.38 H new ATOM 801 N LEU A 49 1.933 -8.799 2.260 1.00 0.38 N ATOM 802 CA LEU A 49 1.544 -8.810 3.664 1.00 0.42 C ATOM 803 C LEU A 49 1.331 -7.388 4.175 1.00 0.36 C ATOM 804 O LEU A 49 2.221 -6.545 4.078 1.00 0.39 O ATOM 805 CB LEU A 49 2.608 -9.520 4.503 1.00 0.52 C ATOM 806 CG LEU A 49 2.177 -10.867 5.088 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.169 -10.663 6.208 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.598 -11.760 4.002 1.00 0.84 C ATOM 0 H LEU A 49 2.768 -8.249 2.056 1.00 0.38 H new ATOM 0 HA LEU A 49 0.603 -9.353 3.756 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.492 -9.675 3.885 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.902 -8.863 5.321 1.00 0.52 H new ATOM 0 HG LEU A 49 3.056 -11.360 5.503 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.873 -11.631 6.612 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.619 -10.062 6.998 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.290 -10.149 5.818 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.297 -12.713 4.437 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.730 -11.274 3.556 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.351 -11.933 3.234 1.00 0.84 H new ATOM 820 N LYS A 50 0.144 -7.128 4.716 1.00 0.40 N ATOM 821 CA LYS A 50 -0.180 -5.805 5.235 1.00 0.40 C ATOM 822 C LYS A 50 0.858 -5.347 6.250 1.00 0.47 C ATOM 823 O LYS A 50 0.779 -5.684 7.431 1.00 0.85 O ATOM 824 CB LYS A 50 -1.567 -5.797 5.886 1.00 0.59 C ATOM 825 CG LYS A 50 -1.819 -6.979 6.807 1.00 0.72 C ATOM 826 CD LYS A 50 -3.088 -6.786 7.621 1.00 1.03 C ATOM 827 CE LYS A 50 -3.062 -5.475 8.390 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.156 -5.396 9.398 1.00 1.30 N ATOM 0 H LYS A 50 -0.606 -7.814 4.806 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.179 -5.115 4.391 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.686 -4.874 6.454 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.325 -5.790 5.103 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.899 -7.892 6.217 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.970 -7.107 7.478 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.953 -6.803 6.958 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.204 -7.616 8.318 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.100 -5.368 8.891 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.152 -4.643 7.691 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.101 -4.486 9.899 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.076 -5.472 8.919 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.056 -6.174 10.081 1.00 1.30 H new ATOM 842 N ALA A 51 1.828 -4.569 5.787 1.00 0.45 N ATOM 843 CA ALA A 51 2.872 -4.059 6.661 1.00 0.63 C ATOM 844 C ALA A 51 2.282 -3.100 7.683 1.00 0.55 C ATOM 845 O ALA A 51 2.720 -3.047 8.833 1.00 0.72 O ATOM 846 CB ALA A 51 3.948 -3.363 5.849 1.00 0.86 C ATOM 0 H ALA A 51 1.912 -4.279 4.813 1.00 0.45 H new ATOM 0 HA ALA A 51 3.323 -4.899 7.189 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.722 -2.987 6.518 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.388 -4.070 5.146 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.508 -2.531 5.299 1.00 0.86 H new ATOM 852 N ASN A 52 1.279 -2.345 7.250 1.00 0.42 N ATOM 853 CA ASN A 52 0.613 -1.382 8.115 1.00 0.43 C ATOM 854 C ASN A 52 -0.133 -2.097 9.238 1.00 0.59 C ATOM 855 O ASN A 52 -1.027 -2.907 8.988 1.00 1.60 O ATOM 856 CB ASN A 52 -0.352 -0.514 7.290 1.00 0.38 C ATOM 857 CG ASN A 52 -1.372 0.229 8.140 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.169 1.388 8.500 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.473 -0.442 8.468 1.00 0.62 N ATOM 0 H ASN A 52 0.909 -2.383 6.300 1.00 0.42 H new ATOM 0 HA ASN A 52 1.366 -0.736 8.566 1.00 0.43 H new ATOM 0 HB2 ASN A 52 0.224 0.209 6.712 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.878 -1.147 6.575 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.190 0.004 9.040 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.600 -1.402 8.147 1.00 0.62 H new ATOM 866 N PHE A 53 0.235 -1.785 10.473 1.00 0.81 N ATOM 867 CA PHE A 53 -0.407 -2.386 11.631 1.00 0.82 C ATOM 868 C PHE A 53 -1.291 -1.364 12.343 1.00 0.84 C ATOM 869 O PHE A 53 -1.575 -1.493 13.533 1.00 1.20 O ATOM 870 CB PHE A 53 0.644 -2.939 12.596 1.00 0.96 C ATOM 871 CG PHE A 53 0.409 -4.374 12.968 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.871 -4.841 13.218 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.471 -5.254 13.069 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.086 -6.162 13.562 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.264 -6.575 13.412 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.036 -7.029 13.652 1.00 1.96 C ATOM 0 H PHE A 53 0.975 -1.119 10.697 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.034 -3.209 11.288 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.630 -2.845 12.141 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.651 -2.332 13.501 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.710 -4.165 13.143 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.474 -4.904 12.877 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.089 -6.510 13.760 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.101 -7.253 13.494 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.209 -8.064 13.908 1.00 1.96 H new ATOM 886 N SER A 54 -1.722 -0.346 11.598 1.00 0.79 N ATOM 887 CA SER A 54 -2.575 0.704 12.144 1.00 0.89 C ATOM 888 C SER A 54 -3.616 1.138 11.117 1.00 0.95 C ATOM 889 O SER A 54 -3.286 1.420 9.965 1.00 1.89 O ATOM 890 CB SER A 54 -1.730 1.904 12.575 1.00 1.00 C ATOM 891 OG SER A 54 -1.896 2.177 13.956 1.00 1.71 O ATOM 0 H SER A 54 -1.492 -0.228 10.611 1.00 0.79 H new ATOM 0 HA SER A 54 -3.093 0.306 13.017 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.679 1.707 12.364 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.013 2.780 11.992 1.00 1.00 H new ATOM 0 HG SER A 54 -1.344 2.947 14.206 1.00 1.71 H new ATOM 897 N ASN A 55 -4.874 1.187 11.541 1.00 0.75 N ATOM 898 CA ASN A 55 -5.975 1.580 10.662 1.00 0.69 C ATOM 899 C ASN A 55 -5.611 2.790 9.799 1.00 0.66 C ATOM 900 O ASN A 55 -5.405 3.891 10.306 1.00 1.05 O ATOM 901 CB ASN A 55 -7.222 1.889 11.496 1.00 0.84 C ATOM 902 CG ASN A 55 -8.510 1.575 10.763 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.338 0.802 11.245 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.687 2.175 9.593 1.00 0.83 N ATOM 0 H ASN A 55 -5.160 0.959 12.493 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.179 0.745 9.991 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.186 1.314 12.421 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -7.215 2.943 11.775 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.536 2.003 9.055 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.974 2.808 9.232 1.00 0.83 H new ATOM 911 N ILE A 56 -5.543 2.568 8.488 1.00 0.40 N ATOM 912 CA ILE A 56 -5.214 3.629 7.540 1.00 0.33 C ATOM 913 C ILE A 56 -6.488 4.235 6.955 1.00 0.31 C ATOM 914 O ILE A 56 -6.973 3.794 5.914 1.00 0.53 O ATOM 915 CB ILE A 56 -4.328 3.097 6.387 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.023 2.509 6.942 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.033 4.191 5.370 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.071 1.998 5.875 1.00 0.69 C ATOM 0 H ILE A 56 -5.712 1.659 8.057 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.660 4.394 8.084 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.877 2.306 5.877 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.515 3.272 7.532 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.265 1.691 7.620 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.409 3.788 4.572 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.969 4.558 4.948 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.510 5.012 5.860 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.174 1.599 6.349 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.558 1.211 5.299 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.797 2.817 5.210 1.00 0.69 H new ATOM 930 N LEU A 57 -7.029 5.246 7.631 1.00 0.44 N ATOM 931 CA LEU A 57 -8.249 5.904 7.172 1.00 0.45 C ATOM 932 C LEU A 57 -8.019 6.634 5.851 1.00 0.42 C ATOM 933 O LEU A 57 -8.599 6.275 4.825 1.00 0.60 O ATOM 934 CB LEU A 57 -8.758 6.889 8.226 1.00 0.48 C ATOM 935 CG LEU A 57 -9.967 7.727 7.797 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.031 6.841 7.168 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.538 8.491 8.980 1.00 1.60 C ATOM 0 H LEU A 57 -6.643 5.626 8.495 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.001 5.131 7.013 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -9.021 6.332 9.125 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.945 7.563 8.495 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.636 8.451 7.052 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.883 7.452 6.869 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.617 6.341 6.292 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.357 6.094 7.892 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.395 9.079 8.653 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.853 7.787 9.750 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.775 9.156 9.386 1.00 1.60 H new ATOM 949 N GLU A 58 -7.170 7.657 5.880 1.00 0.39 N ATOM 950 CA GLU A 58 -6.866 8.429 4.689 1.00 0.43 C ATOM 951 C GLU A 58 -6.131 7.571 3.675 1.00 0.51 C ATOM 952 O GLU A 58 -5.644 6.487 4.000 1.00 1.09 O ATOM 953 CB GLU A 58 -6.020 9.650 5.052 1.00 0.44 C ATOM 954 CG GLU A 58 -4.683 9.295 5.680 1.00 0.44 C ATOM 955 CD GLU A 58 -4.671 9.496 7.182 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.071 10.588 7.638 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.264 8.561 7.904 1.00 1.54 O ATOM 0 H GLU A 58 -6.681 7.968 6.720 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.803 8.767 4.247 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.845 10.241 4.153 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.581 10.279 5.743 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.445 8.255 5.455 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.901 9.906 5.229 1.00 0.44 H new ATOM 964 N ASN A 59 -6.051 8.057 2.448 1.00 0.31 N ATOM 965 CA ASN A 59 -5.369 7.323 1.393 1.00 0.28 C ATOM 966 C ASN A 59 -3.892 7.700 1.319 1.00 0.28 C ATOM 967 O ASN A 59 -3.218 7.405 0.331 1.00 0.49 O ATOM 968 CB ASN A 59 -6.040 7.564 0.043 1.00 0.32 C ATOM 969 CG ASN A 59 -6.081 9.033 -0.329 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.346 9.847 0.231 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.946 9.381 -1.276 1.00 0.91 N ATOM 0 H ASN A 59 -6.447 8.951 2.158 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.438 6.263 1.635 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.505 7.011 -0.729 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.056 7.171 0.070 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.020 10.356 -1.566 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.536 8.673 -1.713 1.00 0.91 H new ATOM 978 N GLU A 60 -3.389 8.347 2.367 1.00 0.29 N ATOM 979 CA GLU A 60 -1.989 8.748 2.412 1.00 0.29 C ATOM 980 C GLU A 60 -1.285 8.025 3.550 1.00 0.27 C ATOM 981 O GLU A 60 -1.342 8.455 4.702 1.00 0.35 O ATOM 982 CB GLU A 60 -1.871 10.262 2.593 1.00 0.34 C ATOM 983 CG GLU A 60 -0.606 10.849 1.987 1.00 0.49 C ATOM 984 CD GLU A 60 -0.305 10.283 0.615 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.998 9.330 0.202 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.623 10.793 -0.049 1.00 1.91 O ATOM 0 H GLU A 60 -3.929 8.603 3.193 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.514 8.478 1.469 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.738 10.743 2.140 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.897 10.496 3.657 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.710 11.932 1.915 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.236 10.653 2.651 1.00 0.49 H new ATOM 993 N PHE A 61 -0.636 6.914 3.226 1.00 0.24 N ATOM 994 CA PHE A 61 0.059 6.128 4.234 1.00 0.24 C ATOM 995 C PHE A 61 1.552 6.047 3.966 1.00 0.24 C ATOM 996 O PHE A 61 2.018 6.308 2.856 1.00 0.25 O ATOM 997 CB PHE A 61 -0.519 4.713 4.291 1.00 0.28 C ATOM 998 CG PHE A 61 0.197 3.825 5.266 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.032 3.938 6.628 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.092 2.868 4.817 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.617 3.115 7.521 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.747 2.042 5.709 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.533 2.198 7.075 1.00 0.48 C ATOM 0 H PHE A 61 -0.577 6.540 2.279 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.087 6.631 5.190 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.573 4.768 4.564 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.470 4.266 3.298 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.727 4.680 6.993 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.280 2.767 3.758 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.403 3.192 8.577 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.421 1.279 5.348 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.087 1.598 7.782 1.00 0.48 H new ATOM 1013 N THR A 62 2.294 5.665 4.999 1.00 0.25 N ATOM 1014 CA THR A 62 3.731 5.523 4.898 1.00 0.27 C ATOM 1015 C THR A 62 4.182 4.231 5.553 1.00 0.29 C ATOM 1016 O THR A 62 4.150 4.093 6.775 1.00 0.35 O ATOM 1017 CB THR A 62 4.443 6.721 5.530 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.087 7.923 4.870 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.952 6.606 5.493 1.00 0.37 C ATOM 0 H THR A 62 1.915 5.448 5.921 1.00 0.25 H new ATOM 0 HA THR A 62 3.997 5.489 3.841 1.00 0.27 H new ATOM 0 HB THR A 62 4.120 6.733 6.571 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.873 8.291 4.414 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.396 7.487 5.957 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.262 5.714 6.038 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.286 6.534 4.458 1.00 0.37 H new ATOM 1027 N VAL A 63 4.595 3.280 4.725 1.00 0.31 N ATOM 1028 CA VAL A 63 5.045 1.994 5.219 1.00 0.36 C ATOM 1029 C VAL A 63 6.356 2.129 5.980 1.00 0.38 C ATOM 1030 O VAL A 63 7.418 2.317 5.380 1.00 0.50 O ATOM 1031 CB VAL A 63 5.235 0.983 4.078 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.577 -0.380 4.651 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.985 0.912 3.217 1.00 0.58 C ATOM 0 H VAL A 63 4.626 3.379 3.710 1.00 0.31 H new ATOM 0 HA VAL A 63 4.268 1.628 5.891 1.00 0.36 H new ATOM 0 HB VAL A 63 6.059 1.311 3.445 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.711 -1.093 3.838 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.499 -0.311 5.228 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.767 -0.716 5.299 1.00 1.08 H new ATOM 0 HG21 VAL A 63 4.137 0.191 2.414 1.00 0.58 H new ATOM 0 HG22 VAL A 63 3.139 0.600 3.829 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.781 1.894 2.790 1.00 0.58 H new ATOM 1043 N SER A 64 6.276 2.031 7.301 1.00 0.49 N ATOM 1044 CA SER A 64 7.458 2.139 8.142 1.00 0.55 C ATOM 1045 C SER A 64 7.934 0.763 8.582 1.00 0.63 C ATOM 1046 O SER A 64 7.207 -0.224 8.470 1.00 0.99 O ATOM 1047 CB SER A 64 7.174 3.007 9.367 1.00 0.63 C ATOM 1048 OG SER A 64 8.375 3.344 10.041 1.00 1.33 O ATOM 0 H SER A 64 5.406 1.877 7.811 1.00 0.49 H new ATOM 0 HA SER A 64 8.245 2.611 7.553 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.657 3.917 9.061 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.508 2.476 10.047 1.00 0.63 H new ATOM 0 HG SER A 64 8.168 3.901 10.820 1.00 1.33 H new ATOM 1054 N GLY A 65 9.163 0.706 9.071 1.00 0.71 N ATOM 1055 CA GLY A 65 9.727 -0.554 9.510 1.00 0.78 C ATOM 1056 C GLY A 65 10.052 -1.443 8.334 1.00 0.72 C ATOM 1057 O GLY A 65 10.028 -2.669 8.438 1.00 0.90 O ATOM 0 H GLY A 65 9.781 1.511 9.172 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.631 -0.369 10.091 1.00 0.78 H new ATOM 0 HA3 GLY A 65 9.023 -1.061 10.170 1.00 0.78 H new ATOM 1061 N LEU A 66 10.348 -0.810 7.206 1.00 0.64 N ATOM 1062 CA LEU A 66 10.672 -1.511 5.987 1.00 0.65 C ATOM 1063 C LEU A 66 12.156 -1.890 5.969 1.00 0.59 C ATOM 1064 O LEU A 66 12.973 -1.265 6.643 1.00 0.65 O ATOM 1065 CB LEU A 66 10.268 -0.616 4.801 1.00 0.74 C ATOM 1066 CG LEU A 66 11.390 -0.107 3.907 1.00 0.89 C ATOM 1067 CD1 LEU A 66 11.713 -1.139 2.855 1.00 1.47 C ATOM 1068 CD2 LEU A 66 10.996 1.207 3.258 1.00 0.89 C ATOM 0 H LEU A 66 10.368 0.206 7.119 1.00 0.64 H new ATOM 0 HA LEU A 66 10.121 -2.449 5.915 1.00 0.65 H new ATOM 0 HB2 LEU A 66 9.566 -1.173 4.180 1.00 0.74 H new ATOM 0 HB3 LEU A 66 9.731 0.247 5.195 1.00 0.74 H new ATOM 0 HG LEU A 66 12.277 0.066 4.516 1.00 0.89 H new ATOM 0 HD11 LEU A 66 12.517 -0.770 2.218 1.00 1.47 H new ATOM 0 HD12 LEU A 66 12.028 -2.064 3.338 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.828 -1.330 2.249 1.00 1.47 H new ATOM 0 HD21 LEU A 66 11.809 1.557 2.622 1.00 0.89 H new ATOM 0 HD22 LEU A 66 10.101 1.060 2.654 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.795 1.949 4.031 1.00 0.89 H new ATOM 1080 N THR A 67 12.493 -2.923 5.204 1.00 0.65 N ATOM 1081 CA THR A 67 13.875 -3.386 5.113 1.00 0.69 C ATOM 1082 C THR A 67 14.615 -2.713 3.961 1.00 0.72 C ATOM 1083 O THR A 67 14.156 -2.728 2.821 1.00 1.06 O ATOM 1084 CB THR A 67 13.911 -4.904 4.934 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.912 -5.527 5.723 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.242 -5.519 5.307 1.00 0.99 C ATOM 0 H THR A 67 11.831 -3.455 4.639 1.00 0.65 H new ATOM 0 HA THR A 67 14.377 -3.117 6.042 1.00 0.69 H new ATOM 0 HB THR A 67 13.736 -5.073 3.872 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.285 -6.004 5.140 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.199 -6.598 5.157 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.027 -5.096 4.680 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.460 -5.307 6.354 1.00 0.99 H new ATOM 1094 N GLU A 68 15.768 -2.126 4.269 1.00 0.66 N ATOM 1095 CA GLU A 68 16.577 -1.448 3.259 1.00 0.67 C ATOM 1096 C GLU A 68 17.337 -2.451 2.396 1.00 0.60 C ATOM 1097 O GLU A 68 17.485 -3.617 2.761 1.00 0.69 O ATOM 1098 CB GLU A 68 17.570 -0.496 3.928 1.00 0.76 C ATOM 1099 CG GLU A 68 17.427 0.950 3.485 1.00 0.96 C ATOM 1100 CD GLU A 68 18.374 1.879 4.217 1.00 1.32 C ATOM 1101 OE1 GLU A 68 18.051 2.281 5.355 1.00 1.91 O ATOM 1102 OE2 GLU A 68 19.440 2.204 3.653 1.00 1.89 O ATOM 0 H GLU A 68 16.164 -2.106 5.209 1.00 0.66 H new ATOM 0 HA GLU A 68 15.902 -0.880 2.618 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.439 -0.550 5.009 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.584 -0.834 3.713 1.00 0.76 H new ATOM 0 HG2 GLU A 68 17.613 1.018 2.413 1.00 0.96 H new ATOM 0 HG3 GLU A 68 16.401 1.278 3.652 1.00 0.96 H new ATOM 1109 N ASP A 69 17.821 -1.980 1.250 1.00 0.52 N ATOM 1110 CA ASP A 69 18.574 -2.824 0.329 1.00 0.49 C ATOM 1111 C ASP A 69 17.705 -3.948 -0.215 1.00 0.44 C ATOM 1112 O ASP A 69 18.139 -5.098 -0.306 1.00 0.54 O ATOM 1113 CB ASP A 69 19.804 -3.407 1.027 1.00 0.59 C ATOM 1114 CG ASP A 69 21.082 -3.142 0.258 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.309 -1.978 -0.133 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.856 -4.099 0.047 1.00 1.87 O ATOM 0 H ASP A 69 17.704 -1.016 0.937 1.00 0.52 H new ATOM 0 HA ASP A 69 18.898 -2.204 -0.507 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.889 -2.979 2.026 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.673 -4.482 1.150 1.00 0.59 H new ATOM 1121 N ALA A 70 16.475 -3.609 -0.577 1.00 0.40 N ATOM 1122 CA ALA A 70 15.543 -4.587 -1.113 1.00 0.40 C ATOM 1123 C ALA A 70 14.347 -3.898 -1.750 1.00 0.35 C ATOM 1124 O ALA A 70 13.652 -3.119 -1.100 1.00 0.36 O ATOM 1125 CB ALA A 70 15.084 -5.533 -0.015 1.00 0.49 C ATOM 0 H ALA A 70 16.101 -2.663 -0.508 1.00 0.40 H new ATOM 0 HA ALA A 70 16.055 -5.164 -1.883 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.386 -6.261 -0.430 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.947 -6.054 0.401 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.590 -4.964 0.772 1.00 0.49 H new ATOM 1131 N ALA A 71 14.110 -4.184 -3.024 1.00 0.33 N ATOM 1132 CA ALA A 71 12.991 -3.581 -3.732 1.00 0.30 C ATOM 1133 C ALA A 71 11.672 -4.160 -3.248 1.00 0.27 C ATOM 1134 O ALA A 71 11.413 -5.355 -3.392 1.00 0.36 O ATOM 1135 CB ALA A 71 13.146 -3.765 -5.232 1.00 0.34 C ATOM 0 H ALA A 71 14.673 -4.825 -3.583 1.00 0.33 H new ATOM 0 HA ALA A 71 12.987 -2.512 -3.519 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.300 -3.307 -5.744 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.070 -3.291 -5.563 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.180 -4.829 -5.466 1.00 0.34 H new ATOM 1141 N TYR A 72 10.847 -3.305 -2.661 1.00 0.24 N ATOM 1142 CA TYR A 72 9.556 -3.728 -2.138 1.00 0.24 C ATOM 1143 C TYR A 72 8.403 -3.182 -2.954 1.00 0.21 C ATOM 1144 O TYR A 72 8.344 -1.983 -3.237 1.00 0.23 O ATOM 1145 CB TYR A 72 9.375 -3.230 -0.711 1.00 0.30 C ATOM 1146 CG TYR A 72 10.063 -4.061 0.336 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.383 -3.812 0.672 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.403 -5.098 0.975 1.00 0.49 C ATOM 1149 CE1 TYR A 72 12.031 -4.569 1.618 1.00 0.42 C ATOM 1150 CE2 TYR A 72 10.044 -5.866 1.930 1.00 0.56 C ATOM 1151 CZ TYR A 72 11.304 -5.594 2.287 1.00 0.46 C ATOM 1152 OH TYR A 72 12.007 -6.355 3.198 1.00 0.56 O ATOM 0 H TYR A 72 11.049 -2.313 -2.535 1.00 0.24 H new ATOM 0 HA TYR A 72 9.549 -4.817 -2.182 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.748 -2.208 -0.647 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.309 -3.195 -0.485 1.00 0.30 H new ATOM 0 HD1 TYR A 72 11.913 -3.009 0.182 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.374 -5.310 0.724 1.00 0.49 H new ATOM 0 HE1 TYR A 72 13.071 -4.390 1.849 1.00 0.42 H new ATOM 0 HE2 TYR A 72 9.523 -6.692 2.391 1.00 0.56 H new ATOM 0 HH TYR A 72 11.411 -7.024 3.595 1.00 0.56 H new ATOM 1162 N GLU A 73 7.467 -4.055 -3.291 1.00 0.21 N ATOM 1163 CA GLU A 73 6.290 -3.636 -4.035 1.00 0.21 C ATOM 1164 C GLU A 73 5.125 -3.527 -3.060 1.00 0.23 C ATOM 1165 O GLU A 73 4.946 -4.412 -2.224 1.00 0.32 O ATOM 1166 CB GLU A 73 5.967 -4.626 -5.155 1.00 0.25 C ATOM 1167 CG GLU A 73 6.774 -4.399 -6.422 1.00 0.65 C ATOM 1168 CD GLU A 73 6.022 -4.813 -7.672 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.832 -4.456 -7.794 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.625 -5.494 -8.528 1.00 1.50 O ATOM 0 H GLU A 73 7.498 -5.049 -3.064 1.00 0.21 H new ATOM 0 HA GLU A 73 6.476 -2.670 -4.504 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.148 -5.639 -4.796 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.906 -4.558 -5.394 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.041 -3.345 -6.495 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.706 -4.960 -6.360 1.00 0.65 H new ATOM 1177 N PHE A 74 4.346 -2.447 -3.127 1.00 0.22 N ATOM 1178 CA PHE A 74 3.233 -2.312 -2.169 1.00 0.28 C ATOM 1179 C PHE A 74 1.871 -2.008 -2.792 1.00 0.25 C ATOM 1180 O PHE A 74 1.665 -0.960 -3.401 1.00 0.30 O ATOM 1181 CB PHE A 74 3.524 -1.233 -1.112 1.00 0.39 C ATOM 1182 CG PHE A 74 4.970 -0.873 -0.955 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.767 -1.560 -0.057 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.535 0.143 -1.712 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.100 -1.241 0.089 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.871 0.465 -1.569 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.643 -0.184 -0.665 1.00 0.53 C ATOM 0 H PHE A 74 4.450 -1.684 -3.796 1.00 0.22 H new ATOM 0 HA PHE A 74 3.169 -3.301 -1.716 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.967 -0.333 -1.371 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.144 -1.577 -0.150 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.340 -2.355 0.536 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.926 0.687 -2.419 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.722 -1.797 0.775 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.303 1.241 -2.183 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.673 0.109 -0.523 1.00 0.53 H new ATOM 1197 N ARG A 75 0.927 -2.924 -2.574 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.449 -2.764 -3.047 1.00 0.34 C ATOM 1199 C ARG A 75 -1.323 -2.486 -1.844 1.00 0.31 C ATOM 1200 O ARG A 75 -0.802 -2.363 -0.743 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.949 -4.024 -3.757 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.426 -5.316 -3.156 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.402 -6.465 -3.359 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.173 -7.169 -4.621 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.716 -6.812 -5.785 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.519 -5.758 -5.860 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.452 -7.512 -6.880 1.00 1.87 N ATOM 0 H ARG A 75 1.093 -3.794 -2.067 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.488 -1.944 -3.764 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.039 -4.037 -3.730 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.657 -3.978 -4.806 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.532 -5.567 -3.611 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.246 -5.175 -2.090 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.310 -7.168 -2.531 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.422 -6.081 -3.339 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.560 -7.984 -4.609 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.725 -5.213 -5.023 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.930 -5.492 -6.755 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.834 -8.322 -6.831 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.867 -7.240 -7.771 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.639 -2.399 -2.021 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.499 -2.151 -0.867 1.00 0.39 C ATOM 1223 C VAL A 76 -4.932 -2.637 -1.069 1.00 0.31 C ATOM 1224 O VAL A 76 -5.619 -2.268 -2.023 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.458 -0.657 -0.380 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.085 0.297 -1.498 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.751 -0.201 0.299 1.00 0.47 C ATOM 0 H VAL A 76 -3.119 -2.492 -2.916 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.075 -2.756 -0.065 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.674 -0.628 0.377 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.069 1.318 -1.115 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.099 0.038 -1.883 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.819 0.222 -2.300 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.652 0.839 0.609 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.582 -0.293 -0.401 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.942 -0.824 1.173 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.356 -3.457 -0.114 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.681 -4.022 -0.070 1.00 0.31 C ATOM 1239 C ILE A 77 -7.480 -3.260 0.978 1.00 0.30 C ATOM 1240 O ILE A 77 -6.900 -2.754 1.938 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.602 -5.507 0.318 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.803 -6.283 -0.726 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.986 -6.088 0.482 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.071 -7.482 -0.168 1.00 0.42 C ATOM 0 H ILE A 77 -4.766 -3.748 0.666 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.159 -3.943 -1.046 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.088 -5.592 1.275 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.479 -6.616 -1.513 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.080 -5.611 -1.190 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.909 -7.140 0.757 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.517 -5.547 1.265 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.532 -5.997 -0.457 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.527 -7.981 -0.970 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.369 -7.155 0.599 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.789 -8.175 0.270 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.791 -3.149 0.818 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.565 -2.406 1.808 1.00 0.30 C ATOM 1258 C ALA A 78 -11.045 -2.740 1.785 1.00 0.34 C ATOM 1259 O ALA A 78 -11.722 -2.554 0.781 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.370 -0.913 1.598 1.00 0.39 C ATOM 0 H ALA A 78 -9.326 -3.545 0.046 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.192 -2.704 2.788 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.950 -0.363 2.339 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.314 -0.665 1.706 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.706 -0.639 0.598 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.555 -3.214 2.911 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.963 -3.543 3.002 1.00 0.43 C ATOM 1268 C LYS A 79 -13.799 -2.281 2.892 1.00 0.59 C ATOM 1269 O LYS A 79 -13.273 -1.188 2.683 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.292 -4.233 4.321 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.746 -5.638 4.466 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.595 -6.435 5.445 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.547 -7.925 5.152 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.539 -8.623 5.998 1.00 1.98 N ATOM 0 H LYS A 79 -11.020 -3.377 3.764 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.193 -4.223 2.182 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.905 -3.624 5.138 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.376 -4.268 4.434 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.736 -6.134 3.495 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.714 -5.600 4.815 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.245 -6.253 6.461 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.627 -6.088 5.397 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.531 -8.361 5.324 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.309 -8.081 4.100 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.536 -9.637 5.769 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.596 -8.224 5.815 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.780 -8.496 7.002 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.103 -2.439 3.042 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.016 -1.318 2.968 1.00 0.70 C ATOM 1290 C ASN A 80 -17.033 -1.380 4.099 1.00 0.87 C ATOM 1291 O ASN A 80 -17.145 -2.386 4.798 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.738 -1.317 1.627 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.137 -2.712 1.187 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.159 -3.645 1.989 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.453 -2.860 -0.092 1.00 2.05 N ATOM 0 H ASN A 80 -15.552 -3.338 3.216 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.439 -0.399 3.066 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.628 -0.692 1.697 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.093 -0.870 0.870 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.728 -3.776 -0.447 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.421 -2.058 -0.721 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.773 -0.296 4.265 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.795 -0.200 5.301 1.00 0.82 C ATOM 1304 C ALA A 81 -19.627 -1.481 5.412 1.00 0.88 C ATOM 1305 O ALA A 81 -20.167 -1.788 6.477 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.706 0.984 5.008 1.00 0.83 C ATOM 0 H ALA A 81 -17.685 0.541 3.689 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.288 -0.057 6.255 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.470 1.056 5.782 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.117 1.901 4.993 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.184 0.844 4.039 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.742 -2.218 4.309 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.525 -3.451 4.290 1.00 0.90 C ATOM 1314 C ALA A 82 -19.697 -4.685 4.656 1.00 0.88 C ATOM 1315 O ALA A 82 -20.256 -5.732 4.981 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.164 -3.636 2.923 1.00 0.94 C ATOM 0 H ALA A 82 -19.304 -1.983 3.418 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.298 -3.352 5.052 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.747 -4.557 2.915 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.819 -2.791 2.710 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.386 -3.693 2.162 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.372 -4.574 4.600 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.528 -5.708 4.927 1.00 0.86 C ATOM 1324 C GLY A 83 -16.879 -6.310 3.697 1.00 0.78 C ATOM 1325 O GLY A 83 -15.841 -6.964 3.790 1.00 0.93 O ATOM 0 H GLY A 83 -17.872 -3.725 4.336 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.754 -5.393 5.627 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.124 -6.469 5.431 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.490 -6.082 2.539 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.963 -6.597 1.283 1.00 0.78 C ATOM 1331 C ALA A 84 -15.523 -6.145 1.099 1.00 0.76 C ATOM 1332 O ALA A 84 -15.248 -4.950 0.986 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.825 -6.135 0.118 1.00 0.92 C ATOM 0 H ALA A 84 -18.351 -5.543 2.446 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.984 -7.686 1.311 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.418 -6.528 -0.814 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.843 -6.500 0.252 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.832 -5.046 0.080 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.601 -7.099 1.087 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.192 -6.780 0.938 1.00 0.40 C ATOM 1341 C ILE A 85 -12.840 -6.343 -0.470 1.00 0.38 C ATOM 1342 O ILE A 85 -12.839 -7.144 -1.405 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.289 -7.961 1.339 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.828 -7.511 1.399 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.456 -9.113 0.363 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.213 -7.642 2.775 1.00 0.79 C ATOM 0 H ILE A 85 -14.804 -8.094 1.178 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.011 -5.945 1.615 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.585 -8.308 2.329 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.245 -8.101 0.691 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.763 -6.471 1.078 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.811 -9.939 0.661 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.494 -9.444 0.366 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.183 -8.783 -0.639 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.177 -7.305 2.744 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.772 -7.030 3.483 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.246 -8.685 3.091 1.00 0.79 H new ATOM 1358 N SER A 86 -12.525 -5.062 -0.608 1.00 0.39 N ATOM 1359 CA SER A 86 -12.151 -4.513 -1.903 1.00 0.45 C ATOM 1360 C SER A 86 -10.835 -5.125 -2.371 1.00 0.44 C ATOM 1361 O SER A 86 -9.799 -4.928 -1.727 1.00 0.43 O ATOM 1362 CB SER A 86 -12.019 -2.987 -1.832 1.00 0.54 C ATOM 1363 OG SER A 86 -10.729 -2.595 -1.386 1.00 0.59 O ATOM 0 H SER A 86 -12.521 -4.387 0.157 1.00 0.39 H new ATOM 0 HA SER A 86 -12.937 -4.759 -2.617 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.211 -2.558 -2.816 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.775 -2.587 -1.157 1.00 0.54 H new ATOM 0 HG SER A 86 -10.810 -2.108 -0.539 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.855 -5.870 -3.495 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.661 -6.509 -4.045 1.00 0.61 C ATOM 1371 C PRO A 87 -8.405 -5.657 -3.883 1.00 0.54 C ATOM 1372 O PRO A 87 -8.484 -4.438 -3.726 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.021 -6.670 -5.517 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.494 -6.905 -5.511 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.045 -6.153 -4.323 1.00 0.59 C ATOM 0 HA PRO A 87 -9.419 -7.443 -3.537 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.762 -5.779 -6.090 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.486 -7.506 -5.968 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.947 -6.552 -6.437 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.716 -7.969 -5.433 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.546 -5.234 -4.629 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.778 -6.749 -3.778 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.226 -6.296 -3.910 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.944 -5.602 -3.755 1.00 0.56 C ATOM 1385 C PRO A 88 -5.648 -4.622 -4.883 1.00 0.48 C ATOM 1386 O PRO A 88 -5.582 -5.002 -6.051 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.915 -6.739 -3.758 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.597 -7.878 -4.432 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.050 -7.750 -4.083 1.00 0.72 C ATOM 0 HA PRO A 88 -5.934 -4.993 -2.851 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.010 -6.450 -4.292 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.616 -7.003 -2.744 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.449 -7.839 -5.511 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.195 -8.832 -4.090 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.690 -8.142 -4.873 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.296 -8.297 -3.173 1.00 0.72 H new ATOM 1397 N SER A 89 -5.456 -3.357 -4.517 1.00 0.43 N ATOM 1398 CA SER A 89 -5.148 -2.320 -5.490 1.00 0.42 C ATOM 1399 C SER A 89 -3.728 -2.513 -6.012 1.00 0.35 C ATOM 1400 O SER A 89 -2.806 -2.727 -5.222 1.00 0.51 O ATOM 1401 CB SER A 89 -5.292 -0.931 -4.860 1.00 0.56 C ATOM 1402 OG SER A 89 -4.106 -0.549 -4.189 1.00 1.28 O ATOM 0 H SER A 89 -5.509 -3.028 -3.553 1.00 0.43 H new ATOM 0 HA SER A 89 -5.851 -2.396 -6.319 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.527 -0.200 -5.634 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.126 -0.932 -4.158 1.00 0.56 H new ATOM 0 HG SER A 89 -4.005 0.425 -4.232 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.572 -2.446 -7.342 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.273 -2.623 -8.016 1.00 0.37 C ATOM 1410 C GLU A 90 -1.091 -2.194 -7.140 1.00 0.34 C ATOM 1411 O GLU A 90 -1.063 -1.074 -6.640 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.255 -1.828 -9.323 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.959 -2.529 -10.473 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.787 -1.803 -11.792 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.909 -0.559 -11.805 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.531 -2.475 -12.812 1.00 1.77 O ATOM 0 H GLU A 90 -4.344 -2.267 -7.984 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.159 -3.688 -8.218 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.727 -0.860 -9.156 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.220 -1.634 -9.606 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.571 -3.543 -10.568 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -4.022 -2.614 -10.246 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.103 -3.086 -6.934 1.00 0.30 N ATOM 1424 CA PRO A 91 1.070 -2.787 -6.105 1.00 0.29 C ATOM 1425 C PRO A 91 1.810 -1.524 -6.520 1.00 0.31 C ATOM 1426 O PRO A 91 1.496 -0.896 -7.531 1.00 0.55 O ATOM 1427 CB PRO A 91 1.967 -4.010 -6.293 1.00 0.36 C ATOM 1428 CG PRO A 91 1.026 -5.107 -6.640 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.045 -4.459 -7.476 1.00 0.39 C ATOM 0 HA PRO A 91 0.776 -2.600 -5.072 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.699 -3.849 -7.085 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.525 -4.237 -5.385 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.531 -5.899 -7.192 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.604 -5.562 -5.744 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.211 -4.464 -8.535 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.001 -4.973 -7.377 1.00 0.39 H new ATOM 1437 N SER A 92 2.799 -1.169 -5.712 1.00 0.27 N ATOM 1438 CA SER A 92 3.621 0.006 -5.942 1.00 0.31 C ATOM 1439 C SER A 92 4.993 -0.411 -6.426 1.00 0.27 C ATOM 1440 O SER A 92 5.536 -1.410 -5.948 1.00 0.24 O ATOM 1441 CB SER A 92 3.784 0.804 -4.649 1.00 0.39 C ATOM 1442 OG SER A 92 2.838 1.846 -4.558 1.00 1.23 O ATOM 0 H SER A 92 3.053 -1.692 -4.874 1.00 0.27 H new ATOM 0 HA SER A 92 3.130 0.624 -6.694 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.675 0.137 -3.793 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.790 1.221 -4.602 1.00 0.39 H new ATOM 0 HG SER A 92 2.634 2.182 -5.456 1.00 1.23 H new ATOM 1448 N ASP A 93 5.551 0.365 -7.360 1.00 0.33 N ATOM 1449 CA ASP A 93 6.879 0.092 -7.914 1.00 0.36 C ATOM 1450 C ASP A 93 7.833 -0.400 -6.832 1.00 0.32 C ATOM 1451 O ASP A 93 7.860 0.137 -5.728 1.00 0.56 O ATOM 1452 CB ASP A 93 7.448 1.354 -8.568 1.00 0.45 C ATOM 1453 CG ASP A 93 8.210 1.055 -9.846 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.079 -0.074 -10.365 1.00 1.55 O ATOM 1455 OD2 ASP A 93 8.939 1.947 -10.327 1.00 1.63 O ATOM 0 H ASP A 93 5.099 1.192 -7.750 1.00 0.33 H new ATOM 0 HA ASP A 93 6.776 -0.690 -8.666 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.633 2.044 -8.788 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.110 1.857 -7.863 1.00 0.45 H new ATOM 1460 N ALA A 94 8.602 -1.429 -7.147 1.00 0.33 N ATOM 1461 CA ALA A 94 9.537 -1.985 -6.183 1.00 0.28 C ATOM 1462 C ALA A 94 10.674 -1.016 -5.886 1.00 0.29 C ATOM 1463 O ALA A 94 11.600 -0.869 -6.684 1.00 0.41 O ATOM 1464 CB ALA A 94 10.091 -3.306 -6.687 1.00 0.34 C ATOM 0 H ALA A 94 8.598 -1.893 -8.055 1.00 0.33 H new ATOM 0 HA ALA A 94 8.994 -2.158 -5.254 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.790 -3.711 -5.955 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.273 -4.011 -6.836 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.609 -3.146 -7.633 1.00 0.34 H new ATOM 1470 N ILE A 95 10.607 -0.361 -4.731 1.00 0.25 N ATOM 1471 CA ILE A 95 11.644 0.587 -4.339 1.00 0.28 C ATOM 1472 C ILE A 95 12.768 -0.121 -3.589 1.00 0.26 C ATOM 1473 O ILE A 95 12.560 -0.654 -2.498 1.00 0.25 O ATOM 1474 CB ILE A 95 11.077 1.723 -3.467 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.036 2.509 -4.257 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.190 2.649 -2.990 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.626 2.031 -4.022 1.00 0.44 C ATOM 0 H ILE A 95 9.851 -0.468 -4.054 1.00 0.25 H new ATOM 0 HA ILE A 95 12.041 1.024 -5.255 1.00 0.28 H new ATOM 0 HB ILE A 95 10.604 1.284 -2.589 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.105 3.563 -3.988 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.265 2.436 -5.320 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.765 3.443 -2.376 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.909 2.080 -2.400 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.693 3.087 -3.852 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.935 2.632 -4.613 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.542 0.985 -4.318 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.380 2.130 -2.965 1.00 0.44 H new ATOM 1489 N THR A 96 13.956 -0.125 -4.186 1.00 0.29 N ATOM 1490 CA THR A 96 15.118 -0.771 -3.585 1.00 0.32 C ATOM 1491 C THR A 96 15.295 -0.355 -2.130 1.00 0.32 C ATOM 1492 O THR A 96 15.705 -1.160 -1.294 1.00 0.38 O ATOM 1493 CB THR A 96 16.382 -0.431 -4.375 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.279 -0.897 -5.709 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.638 -1.026 -3.776 1.00 0.43 C ATOM 0 H THR A 96 14.139 0.313 -5.088 1.00 0.29 H new ATOM 0 HA THR A 96 14.950 -1.848 -3.615 1.00 0.32 H new ATOM 0 HB THR A 96 16.462 0.656 -4.342 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.096 -0.669 -6.199 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.499 -0.747 -4.384 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.772 -0.648 -2.762 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.549 -2.112 -3.749 1.00 0.43 H new ATOM 1503 N CYS A 97 14.986 0.902 -1.828 1.00 0.32 N ATOM 1504 CA CYS A 97 15.123 1.402 -0.465 1.00 0.36 C ATOM 1505 C CYS A 97 16.578 1.322 -0.019 1.00 0.43 C ATOM 1506 O CYS A 97 17.034 0.278 0.445 1.00 0.64 O ATOM 1507 CB CYS A 97 14.234 0.580 0.469 1.00 0.38 C ATOM 1508 SG CYS A 97 14.286 1.063 2.200 1.00 1.10 S ATOM 0 H CYS A 97 14.642 1.587 -2.501 1.00 0.32 H new ATOM 0 HA CYS A 97 14.810 2.446 -0.430 1.00 0.36 H new ATOM 0 HB2 CYS A 97 13.204 0.651 0.120 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.525 -0.468 0.392 1.00 0.38 H new ATOM 0 HG CYS A 97 14.189 0.005 2.949 1.00 1.10 H new ATOM 1514 N ARG A 98 17.311 2.422 -0.171 1.00 0.53 N ATOM 1515 CA ARG A 98 18.722 2.450 0.209 1.00 0.63 C ATOM 1516 C ARG A 98 19.157 3.822 0.718 1.00 0.80 C ATOM 1517 O ARG A 98 19.150 4.078 1.921 1.00 1.04 O ATOM 1518 CB ARG A 98 19.602 2.025 -0.975 1.00 0.68 C ATOM 1519 CG ARG A 98 19.002 2.339 -2.339 1.00 0.74 C ATOM 1520 CD ARG A 98 20.008 3.012 -3.256 1.00 0.92 C ATOM 1521 NE ARG A 98 20.906 2.049 -3.887 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.527 1.208 -4.844 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.274 1.213 -5.276 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.401 0.361 -5.371 1.00 2.68 N ATOM 0 H ARG A 98 16.956 3.299 -0.551 1.00 0.53 H new ATOM 0 HA ARG A 98 18.848 1.742 1.028 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.569 2.522 -0.892 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.788 0.953 -0.910 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.648 1.417 -2.801 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.134 2.986 -2.214 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.478 3.572 -4.027 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.593 3.733 -2.685 1.00 0.92 H new ATOM 0 HE ARG A 98 21.877 2.020 -3.576 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.599 1.863 -4.874 1.00 3.00 H new ATOM 0 HH12 ARG A 98 18.985 0.567 -6.010 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.366 0.354 -5.042 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.108 -0.283 -6.105 1.00 2.68 H new ATOM 1538 N ASP A 99 19.550 4.695 -0.201 1.00 0.92 N ATOM 1539 CA ASP A 99 20.004 6.036 0.159 1.00 1.20 C ATOM 1540 C ASP A 99 18.954 7.104 -0.151 1.00 1.03 C ATOM 1541 O ASP A 99 19.227 8.298 -0.028 1.00 1.20 O ATOM 1542 CB ASP A 99 21.306 6.365 -0.575 1.00 1.61 C ATOM 1543 CG ASP A 99 21.073 7.205 -1.816 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.958 7.750 -1.962 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.004 7.318 -2.640 1.00 2.08 O ATOM 0 H ASP A 99 19.564 4.500 -1.202 1.00 0.92 H new ATOM 0 HA ASP A 99 20.174 6.041 1.236 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.976 6.897 0.100 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.806 5.438 -0.855 1.00 1.61 H new ATOM 1550 N ASP A 100 17.758 6.676 -0.550 1.00 0.85 N ATOM 1551 CA ASP A 100 16.671 7.601 -0.873 1.00 0.92 C ATOM 1552 C ASP A 100 17.144 8.790 -1.693 1.00 1.22 C ATOM 1553 O ASP A 100 16.557 9.870 -1.632 1.00 1.38 O ATOM 1554 CB ASP A 100 16.014 8.116 0.401 1.00 0.87 C ATOM 1555 CG ASP A 100 14.523 7.844 0.444 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.137 6.657 0.431 1.00 2.03 O ATOM 1557 OD2 ASP A 100 13.742 8.815 0.493 1.00 2.06 O ATOM 0 H ASP A 100 17.516 5.691 -0.658 1.00 0.85 H new ATOM 0 HA ASP A 100 15.953 7.038 -1.470 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.489 7.649 1.264 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.186 9.189 0.485 1.00 0.87 H new ATOM 1562 N VAL A 101 18.200 8.595 -2.455 1.00 1.43 N ATOM 1563 CA VAL A 101 18.741 9.663 -3.276 1.00 1.90 C ATOM 1564 C VAL A 101 19.574 9.103 -4.425 1.00 2.23 C ATOM 1565 O VAL A 101 20.462 9.769 -4.956 1.00 2.80 O ATOM 1566 CB VAL A 101 19.581 10.619 -2.409 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.659 9.850 -1.667 1.00 2.22 C ATOM 1568 CG2 VAL A 101 20.172 11.749 -3.236 1.00 2.67 C ATOM 0 H VAL A 101 18.701 7.709 -2.524 1.00 1.43 H new ATOM 0 HA VAL A 101 17.910 10.220 -3.710 1.00 1.90 H new ATOM 0 HB VAL A 101 18.921 11.077 -1.672 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.244 10.539 -1.059 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.195 9.102 -1.024 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.313 9.355 -2.385 1.00 2.22 H new ATOM 0 HG21 VAL A 101 20.758 12.404 -2.591 1.00 2.67 H new ATOM 0 HG22 VAL A 101 20.815 11.334 -4.012 1.00 2.67 H new ATOM 0 HG23 VAL A 101 19.367 12.321 -3.698 1.00 2.67 H new ATOM 1578 N GLU A 102 19.272 7.868 -4.812 1.00 1.99 N ATOM 1579 CA GLU A 102 19.983 7.218 -5.902 1.00 2.40 C ATOM 1580 C GLU A 102 19.167 6.062 -6.471 1.00 2.00 C ATOM 1581 O GLU A 102 19.057 5.906 -7.687 1.00 2.49 O ATOM 1582 CB GLU A 102 21.338 6.712 -5.417 1.00 3.22 C ATOM 1583 CG GLU A 102 21.239 5.633 -4.353 1.00 3.87 C ATOM 1584 CD GLU A 102 22.594 5.220 -3.814 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.617 5.621 -4.408 1.00 4.58 O ATOM 1586 OE2 GLU A 102 22.632 4.492 -2.800 1.00 4.47 O ATOM 0 H GLU A 102 18.540 7.299 -4.386 1.00 1.99 H new ATOM 0 HA GLU A 102 20.138 7.951 -6.694 1.00 2.40 H new ATOM 0 HB2 GLU A 102 21.896 6.321 -6.268 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.909 7.551 -5.019 1.00 3.22 H new ATOM 0 HG2 GLU A 102 20.620 5.994 -3.532 1.00 3.87 H new ATOM 0 HG3 GLU A 102 20.737 4.760 -4.771 1.00 3.87 H new ATOM 1593 N ALA A 103 18.594 5.256 -5.583 1.00 1.84 N ATOM 1594 CA ALA A 103 17.787 4.115 -5.997 1.00 2.56 C ATOM 1595 C ALA A 103 18.532 3.253 -7.009 1.00 3.21 C ATOM 1596 O ALA A 103 19.781 3.265 -6.989 1.00 3.72 O ATOM 1597 CB ALA A 103 16.464 4.590 -6.578 1.00 3.26 C ATOM 1598 OXT ALA A 103 17.862 2.571 -7.813 1.00 3.79 O ATOM 0 H ALA A 103 18.674 5.372 -4.573 1.00 1.84 H new ATOM 0 HA ALA A 103 17.588 3.504 -5.117 1.00 2.56 H new ATOM 0 HB1 ALA A 103 15.870 3.728 -6.883 1.00 3.26 H new ATOM 0 HB2 ALA A 103 15.918 5.158 -5.824 1.00 3.26 H new ATOM 0 HB3 ALA A 103 16.654 5.225 -7.443 1.00 3.26 H new TER 1604 ALA A 103