USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 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 15 SER OG : rot 125:sc= -2.84! USER MOD Set 1.2: A 34 THR OG1 : rot 150:sc= 0.272 USER MOD Set 2.1: A 32 TYR OH : rot 110:sc= -0.313 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 174:sc= -1.1 (180deg=-1.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 0.691 (180deg=0.271) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.847 F(o=-2.1,f=-0.85) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.475 F(o=-1.5,f=-0.47) USER MOD Single : A 24 HIS : no HD1:sc= -7.72! C(o=-7.7!,f=-7.3!) USER MOD Single : A 29 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.28) USER MOD Single : A 30 SER OG : rot 103:sc= -0.761 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.144 K(o=0.14,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.495 F(o=-1.3,f=-0.5) USER MOD Single : A 58 ASN : amide:sc= -0.0417 K(o=-0.042,f=-3!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 26:sc= 0.131 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -6.15! C(o=-6.9!,f=-6.2!) USER MOD Single : A 72 THR OG1 : rot 74:sc= 1.02 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.308 F(o=-0.98,f=-0.31) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 78 SER OG : rot -93:sc= 0.195 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.14) USER MOD Single : B 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 305 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.439 2.871 -6.726 1.00 1.83 N ATOM 2 CA MET A 1 -8.519 1.791 -7.183 1.00 1.38 C ATOM 3 C MET A 1 -7.071 2.278 -7.237 1.00 1.20 C ATOM 4 O MET A 1 -6.185 1.672 -6.635 1.00 1.07 O ATOM 5 CB MET A 1 -8.971 1.311 -8.567 1.00 1.81 C ATOM 6 CG MET A 1 -10.210 0.431 -8.530 1.00 2.04 C ATOM 7 SD MET A 1 -10.567 -0.333 -10.124 1.00 2.69 S ATOM 8 CE MET A 1 -12.354 -0.434 -10.059 1.00 3.17 C ATOM 0 H1 MET A 1 -10.414 2.509 -6.700 1.00 1.83 H new ATOM 0 H2 MET A 1 -9.161 3.184 -5.774 1.00 1.83 H new ATOM 0 H3 MET A 1 -9.386 3.674 -7.384 1.00 1.83 H new ATOM 0 HA MET A 1 -8.559 0.967 -6.470 1.00 1.38 H new ATOM 0 HB2 MET A 1 -9.170 2.178 -9.196 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.156 0.758 -9.035 1.00 1.81 H new ATOM 0 HG2 MET A 1 -10.075 -0.348 -7.780 1.00 2.04 H new ATOM 0 HG3 MET A 1 -11.066 1.029 -8.218 1.00 2.04 H new ATOM 0 HE1 MET A 1 -12.727 -0.887 -10.978 1.00 3.17 H new ATOM 0 HE2 MET A 1 -12.653 -1.044 -9.207 1.00 3.17 H new ATOM 0 HE3 MET A 1 -12.771 0.567 -9.953 1.00 3.17 H new ATOM 20 N GLU A 2 -6.838 3.375 -7.962 1.00 1.25 N ATOM 21 CA GLU A 2 -5.497 3.941 -8.093 1.00 1.15 C ATOM 22 C GLU A 2 -5.455 5.382 -7.584 1.00 1.12 C ATOM 23 O GLU A 2 -6.483 6.060 -7.523 1.00 1.17 O ATOM 24 CB GLU A 2 -5.032 3.885 -9.553 1.00 1.22 C ATOM 25 CG GLU A 2 -5.874 4.728 -10.502 1.00 1.74 C ATOM 26 CD GLU A 2 -7.004 3.940 -11.139 1.00 1.63 C ATOM 27 OE1 GLU A 2 -6.740 3.202 -12.112 1.00 1.97 O ATOM 28 OE2 GLU A 2 -8.154 4.062 -10.665 1.00 1.88 O ATOM 0 H GLU A 2 -7.562 3.887 -8.466 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.820 3.343 -7.482 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.996 4.220 -9.607 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -5.050 2.849 -9.890 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.290 5.576 -9.957 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -5.234 5.135 -11.285 1.00 1.74 H new ATOM 35 N ILE A 3 -4.254 5.845 -7.233 1.00 1.09 N ATOM 36 CA ILE A 3 -4.051 7.202 -6.741 1.00 1.10 C ATOM 37 C ILE A 3 -2.711 7.734 -7.248 1.00 1.02 C ATOM 38 O ILE A 3 -1.730 6.985 -7.315 1.00 1.07 O ATOM 39 CB ILE A 3 -4.066 7.250 -5.194 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.458 6.903 -4.656 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.632 8.620 -4.697 1.00 1.22 C ATOM 42 CD1 ILE A 3 -5.606 5.452 -4.248 1.00 1.10 C ATOM 0 H ILE A 3 -3.400 5.290 -7.283 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.868 7.821 -7.112 1.00 1.10 H new ATOM 0 HB ILE A 3 -3.359 6.508 -4.823 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.675 7.537 -3.796 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -6.201 7.135 -5.419 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.649 8.634 -3.607 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.621 8.831 -5.047 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.314 9.379 -5.080 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -6.616 5.280 -3.877 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -5.422 4.811 -5.110 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.887 5.220 -3.463 1.00 1.10 H new ATOM 54 N LYS A 4 -2.662 9.017 -7.611 1.00 0.98 N ATOM 55 CA LYS A 4 -1.424 9.607 -8.112 1.00 0.96 C ATOM 56 C LYS A 4 -0.721 10.429 -7.031 1.00 0.96 C ATOM 57 O LYS A 4 -0.991 11.620 -6.858 1.00 1.08 O ATOM 58 CB LYS A 4 -1.713 10.481 -9.338 1.00 1.07 C ATOM 59 CG LYS A 4 -2.199 9.694 -10.546 1.00 1.35 C ATOM 60 CD LYS A 4 -1.289 9.893 -11.749 1.00 1.59 C ATOM 61 CE LYS A 4 -1.551 8.851 -12.827 1.00 2.29 C ATOM 62 NZ LYS A 4 -2.657 9.256 -13.739 1.00 2.93 N ATOM 0 H LYS A 4 -3.454 9.658 -7.568 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.758 8.794 -8.401 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.464 11.226 -9.074 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -0.807 11.024 -9.609 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -2.245 8.634 -10.296 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -3.212 10.006 -10.800 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -1.442 10.890 -12.161 1.00 1.59 H new ATOM 0 HD3 LYS A 4 -0.248 9.836 -11.432 1.00 1.59 H new ATOM 0 HE2 LYS A 4 -0.642 8.694 -13.407 1.00 2.29 H new ATOM 0 HE3 LYS A 4 -1.798 7.899 -12.358 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 -2.802 8.518 -14.458 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 -3.531 9.381 -13.190 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 -2.411 10.152 -14.207 1.00 2.93 H new ATOM 76 N LEU A 5 0.166 9.764 -6.294 1.00 0.89 N ATOM 77 CA LEU A 5 0.904 10.406 -5.208 1.00 0.97 C ATOM 78 C LEU A 5 2.198 11.036 -5.718 1.00 0.88 C ATOM 79 O LEU A 5 3.032 10.362 -6.327 1.00 0.82 O ATOM 80 CB LEU A 5 1.210 9.396 -4.097 1.00 1.11 C ATOM 81 CG LEU A 5 0.008 8.984 -3.240 1.00 1.42 C ATOM 82 CD1 LEU A 5 0.394 7.867 -2.281 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.542 10.182 -2.474 1.00 2.09 C ATOM 0 H LEU A 5 0.392 8.779 -6.429 1.00 0.89 H new ATOM 0 HA LEU A 5 0.277 11.199 -4.801 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.637 8.501 -4.549 1.00 1.11 H new ATOM 0 HB3 LEU A 5 1.974 9.819 -3.444 1.00 1.11 H new ATOM 0 HG LEU A 5 -0.774 8.614 -3.902 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -0.472 7.587 -1.681 1.00 1.50 H new ATOM 0 HD12 LEU A 5 0.736 7.002 -2.849 1.00 1.50 H new ATOM 0 HD13 LEU A 5 1.194 8.211 -1.626 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -1.395 9.868 -1.872 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.234 10.585 -1.823 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.859 10.950 -3.179 1.00 2.09 H new ATOM 95 N ILE A 6 2.353 12.337 -5.463 1.00 0.95 N ATOM 96 CA ILE A 6 3.539 13.079 -5.890 1.00 0.90 C ATOM 97 C ILE A 6 4.577 13.158 -4.766 1.00 0.93 C ATOM 98 O ILE A 6 4.244 13.499 -3.628 1.00 1.06 O ATOM 99 CB ILE A 6 3.177 14.511 -6.351 1.00 1.04 C ATOM 100 CG1 ILE A 6 4.413 15.216 -6.921 1.00 1.29 C ATOM 101 CG2 ILE A 6 2.579 15.321 -5.203 1.00 1.21 C ATOM 102 CD1 ILE A 6 4.125 16.596 -7.474 1.00 1.94 C ATOM 0 H ILE A 6 1.667 12.900 -4.960 1.00 0.95 H new ATOM 0 HA ILE A 6 3.964 12.535 -6.733 1.00 0.90 H new ATOM 0 HB ILE A 6 2.425 14.436 -7.137 1.00 1.04 H new ATOM 0 HG12 ILE A 6 5.167 15.298 -6.138 1.00 1.29 H new ATOM 0 HG13 ILE A 6 4.840 14.599 -7.712 1.00 1.29 H new ATOM 0 HG21 ILE A 6 2.334 16.323 -5.554 1.00 1.21 H new ATOM 0 HG22 ILE A 6 1.674 14.830 -4.844 1.00 1.21 H new ATOM 0 HG23 ILE A 6 3.302 15.388 -4.390 1.00 1.21 H new ATOM 0 HD11 ILE A 6 5.046 17.033 -7.860 1.00 1.94 H new ATOM 0 HD12 ILE A 6 3.395 16.520 -8.279 1.00 1.94 H new ATOM 0 HD13 ILE A 6 3.727 17.230 -6.682 1.00 1.94 H new ATOM 114 N LYS A 7 5.832 12.836 -5.090 1.00 0.91 N ATOM 115 CA LYS A 7 6.918 12.867 -4.106 1.00 1.06 C ATOM 116 C LYS A 7 7.085 14.264 -3.501 1.00 1.18 C ATOM 117 O LYS A 7 7.453 15.213 -4.198 1.00 1.29 O ATOM 118 CB LYS A 7 8.234 12.420 -4.750 1.00 1.26 C ATOM 119 CG LYS A 7 9.402 12.357 -3.777 1.00 1.78 C ATOM 120 CD LYS A 7 9.492 10.999 -3.099 1.00 2.30 C ATOM 121 CE LYS A 7 9.863 11.133 -1.631 1.00 2.50 C ATOM 122 NZ LYS A 7 9.881 9.814 -0.940 1.00 3.10 N ATOM 0 H LYS A 7 6.121 12.551 -6.026 1.00 0.91 H new ATOM 0 HA LYS A 7 6.656 12.177 -3.304 1.00 1.06 H new ATOM 0 HB2 LYS A 7 8.093 11.437 -5.198 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.484 13.106 -5.559 1.00 1.26 H new ATOM 0 HG2 LYS A 7 10.331 12.561 -4.309 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.290 13.135 -3.022 1.00 1.78 H new ATOM 0 HD2 LYS A 7 8.536 10.483 -3.188 1.00 2.30 H new ATOM 0 HD3 LYS A 7 10.235 10.385 -3.609 1.00 2.30 H new ATOM 0 HE2 LYS A 7 10.844 11.601 -1.546 1.00 2.50 H new ATOM 0 HE3 LYS A 7 9.151 11.793 -1.135 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 9.833 9.960 0.089 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 9.063 9.250 -1.248 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 10.759 9.310 -1.177 1.00 3.10 H new ATOM 136 N GLY A 8 6.810 14.375 -2.201 1.00 1.38 N ATOM 137 CA GLY A 8 6.929 15.650 -1.509 1.00 1.62 C ATOM 138 C GLY A 8 8.166 15.725 -0.627 1.00 1.78 C ATOM 139 O GLY A 8 9.185 15.102 -0.931 1.00 1.78 O ATOM 0 H GLY A 8 6.505 13.600 -1.612 1.00 1.38 H new ATOM 0 HA2 GLY A 8 6.961 16.455 -2.243 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.041 15.811 -0.897 1.00 1.62 H new ATOM 143 N PRO A 9 8.105 16.492 0.484 1.00 2.05 N ATOM 144 CA PRO A 9 9.232 16.650 1.418 1.00 2.32 C ATOM 145 C PRO A 9 9.478 15.411 2.292 1.00 2.37 C ATOM 146 O PRO A 9 10.343 15.431 3.170 1.00 2.77 O ATOM 147 CB PRO A 9 8.813 17.842 2.298 1.00 2.68 C ATOM 148 CG PRO A 9 7.574 18.400 1.676 1.00 2.59 C ATOM 149 CD PRO A 9 6.941 17.269 0.921 1.00 2.24 C ATOM 0 HA PRO A 9 10.167 16.799 0.879 1.00 2.32 H new ATOM 0 HB2 PRO A 9 8.625 17.523 3.323 1.00 2.68 H new ATOM 0 HB3 PRO A 9 9.602 18.593 2.338 1.00 2.68 H new ATOM 0 HG2 PRO A 9 6.897 18.788 2.437 1.00 2.59 H new ATOM 0 HG3 PRO A 9 7.812 19.229 1.009 1.00 2.59 H new ATOM 0 HD2 PRO A 9 6.274 16.682 1.553 1.00 2.24 H new ATOM 0 HD3 PRO A 9 6.350 17.624 0.077 1.00 2.24 H new ATOM 157 N LYS A 10 8.724 14.335 2.045 1.00 2.38 N ATOM 158 CA LYS A 10 8.872 13.096 2.803 1.00 2.57 C ATOM 159 C LYS A 10 8.473 11.895 1.946 1.00 2.26 C ATOM 160 O LYS A 10 9.325 11.100 1.549 1.00 2.45 O ATOM 161 CB LYS A 10 8.021 13.143 4.077 1.00 2.99 C ATOM 162 CG LYS A 10 8.788 13.597 5.310 1.00 3.71 C ATOM 163 CD LYS A 10 8.838 12.507 6.371 1.00 4.04 C ATOM 164 CE LYS A 10 7.551 12.454 7.180 1.00 4.40 C ATOM 165 NZ LYS A 10 7.814 12.437 8.647 1.00 4.92 N ATOM 0 H LYS A 10 8.004 14.301 1.323 1.00 2.38 H new ATOM 0 HA LYS A 10 9.919 12.989 3.087 1.00 2.57 H new ATOM 0 HB2 LYS A 10 7.179 13.816 3.916 1.00 2.99 H new ATOM 0 HB3 LYS A 10 7.606 12.152 4.263 1.00 2.99 H new ATOM 0 HG2 LYS A 10 9.803 13.876 5.026 1.00 3.71 H new ATOM 0 HG3 LYS A 10 8.317 14.488 5.725 1.00 3.71 H new ATOM 0 HD2 LYS A 10 9.009 11.542 5.894 1.00 4.04 H new ATOM 0 HD3 LYS A 10 9.681 12.686 7.038 1.00 4.04 H new ATOM 0 HE2 LYS A 10 6.932 13.316 6.933 1.00 4.40 H new ATOM 0 HE3 LYS A 10 6.985 11.565 6.903 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 6.911 12.401 9.161 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 8.383 11.601 8.888 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 8.332 13.298 8.917 1.00 4.92 H new ATOM 179 N GLY A 11 7.174 11.780 1.666 1.00 2.10 N ATOM 180 CA GLY A 11 6.678 10.681 0.854 1.00 2.10 C ATOM 181 C GLY A 11 5.422 10.047 1.420 1.00 2.08 C ATOM 182 O GLY A 11 4.581 10.735 2.003 1.00 2.30 O ATOM 0 H GLY A 11 6.457 12.430 1.988 1.00 2.10 H new ATOM 0 HA2 GLY A 11 6.473 11.044 -0.153 1.00 2.10 H new ATOM 0 HA3 GLY A 11 7.455 9.921 0.767 1.00 2.10 H new ATOM 186 N LEU A 12 5.293 8.730 1.228 1.00 2.47 N ATOM 187 CA LEU A 12 4.129 7.971 1.698 1.00 2.77 C ATOM 188 C LEU A 12 3.714 8.381 3.115 1.00 1.92 C ATOM 189 O LEU A 12 2.581 8.807 3.334 1.00 2.52 O ATOM 190 CB LEU A 12 4.420 6.466 1.645 1.00 3.62 C ATOM 191 CG LEU A 12 4.370 5.837 0.245 1.00 4.87 C ATOM 192 CD1 LEU A 12 4.615 4.339 0.325 1.00 5.33 C ATOM 193 CD2 LEU A 12 3.035 6.127 -0.434 1.00 5.70 C ATOM 0 H LEU A 12 5.989 8.162 0.745 1.00 2.47 H new ATOM 0 HA LEU A 12 3.297 8.200 1.032 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.408 6.288 2.070 1.00 3.62 H new ATOM 0 HB3 LEU A 12 3.701 5.951 2.283 1.00 3.62 H new ATOM 0 HG LEU A 12 5.160 6.285 -0.357 1.00 4.87 H new ATOM 0 HD11 LEU A 12 4.576 3.910 -0.676 1.00 5.33 H new ATOM 0 HD12 LEU A 12 5.597 4.154 0.761 1.00 5.33 H new ATOM 0 HD13 LEU A 12 3.848 3.878 0.948 1.00 5.33 H new ATOM 0 HD21 LEU A 12 3.024 5.671 -1.424 1.00 5.70 H new ATOM 0 HD22 LEU A 12 2.224 5.713 0.165 1.00 5.70 H new ATOM 0 HD23 LEU A 12 2.902 7.205 -0.529 1.00 5.70 H new ATOM 205 N GLY A 13 4.634 8.249 4.069 1.00 1.13 N ATOM 206 CA GLY A 13 4.343 8.618 5.444 1.00 1.11 C ATOM 207 C GLY A 13 3.323 7.710 6.108 1.00 0.96 C ATOM 208 O GLY A 13 2.330 8.187 6.654 1.00 1.03 O ATOM 0 H GLY A 13 5.577 7.892 3.913 1.00 1.13 H new ATOM 0 HA2 GLY A 13 5.267 8.598 6.021 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.975 9.644 5.467 1.00 1.11 H new ATOM 212 N PHE A 14 3.569 6.403 6.061 1.00 0.81 N ATOM 213 CA PHE A 14 2.673 5.421 6.673 1.00 0.71 C ATOM 214 C PHE A 14 3.392 4.083 6.844 1.00 0.56 C ATOM 215 O PHE A 14 4.590 3.983 6.581 1.00 0.52 O ATOM 216 CB PHE A 14 1.371 5.261 5.867 1.00 0.74 C ATOM 217 CG PHE A 14 1.547 4.810 4.442 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.047 3.549 4.152 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.191 5.643 3.392 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.193 3.132 2.845 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.334 5.227 2.083 1.00 1.46 C ATOM 222 CZ PHE A 14 1.836 3.971 1.809 1.00 0.83 C ATOM 0 H PHE A 14 4.385 5.996 5.604 1.00 0.81 H new ATOM 0 HA PHE A 14 2.391 5.788 7.660 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.731 4.544 6.381 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.844 6.215 5.866 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.325 2.886 4.958 1.00 1.27 H new ATOM 0 HD2 PHE A 14 0.798 6.627 3.600 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.587 2.149 2.633 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.053 5.885 1.274 1.00 1.46 H new ATOM 0 HZ PHE A 14 1.949 3.645 0.786 1.00 0.83 H new ATOM 232 N SER A 15 2.665 3.053 7.273 1.00 0.55 N ATOM 233 CA SER A 15 3.242 1.729 7.460 1.00 0.47 C ATOM 234 C SER A 15 2.445 0.699 6.669 1.00 0.47 C ATOM 235 O SER A 15 1.355 0.992 6.176 1.00 0.52 O ATOM 236 CB SER A 15 3.270 1.349 8.944 1.00 0.50 C ATOM 237 OG SER A 15 2.210 1.954 9.649 1.00 0.57 O ATOM 0 H SER A 15 1.672 3.113 7.498 1.00 0.55 H new ATOM 0 HA SER A 15 4.269 1.746 7.094 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.205 0.266 9.045 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.221 1.654 9.381 1.00 0.50 H new ATOM 0 HG SER A 15 1.687 1.264 10.109 1.00 0.57 H new ATOM 243 N ILE A 16 2.987 -0.509 6.558 1.00 0.44 N ATOM 244 CA ILE A 16 2.323 -1.588 5.829 1.00 0.46 C ATOM 245 C ILE A 16 2.816 -2.949 6.306 1.00 0.46 C ATOM 246 O ILE A 16 3.792 -3.043 7.047 1.00 0.45 O ATOM 247 CB ILE A 16 2.565 -1.503 4.292 1.00 0.47 C ATOM 248 CG1 ILE A 16 3.847 -2.240 3.869 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.594 -0.060 3.806 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.118 -1.600 4.369 1.00 0.64 C ATOM 0 H ILE A 16 3.886 -0.768 6.964 1.00 0.44 H new ATOM 0 HA ILE A 16 1.258 -1.474 6.028 1.00 0.46 H new ATOM 0 HB ILE A 16 1.721 -2.004 3.817 1.00 0.47 H new ATOM 0 HG12 ILE A 16 3.801 -3.266 4.235 1.00 0.67 H new ATOM 0 HG13 ILE A 16 3.882 -2.291 2.781 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.765 -0.042 2.730 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.641 0.419 4.030 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.397 0.478 4.310 1.00 0.57 H new ATOM 0 HD11 ILE A 16 5.976 -2.180 4.028 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.190 -0.583 3.982 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.108 -1.574 5.459 1.00 0.64 H new ATOM 262 N ALA A 17 2.142 -3.989 5.833 1.00 0.51 N ATOM 263 CA ALA A 17 2.486 -5.374 6.127 1.00 0.55 C ATOM 264 C ALA A 17 2.384 -6.148 4.815 1.00 0.73 C ATOM 265 O ALA A 17 1.853 -5.611 3.852 1.00 1.19 O ATOM 266 CB ALA A 17 1.565 -5.941 7.196 1.00 0.71 C ATOM 0 H ALA A 17 1.329 -3.893 5.225 1.00 0.51 H new ATOM 0 HA ALA A 17 3.497 -5.453 6.526 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.839 -6.976 7.401 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.661 -5.353 8.109 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.533 -5.901 6.846 1.00 0.71 H new ATOM 272 N GLY A 18 2.871 -7.384 4.738 1.00 0.60 N ATOM 273 CA GLY A 18 2.737 -8.088 3.468 1.00 0.77 C ATOM 274 C GLY A 18 3.565 -9.346 3.325 1.00 0.85 C ATOM 275 O GLY A 18 4.785 -9.294 3.454 1.00 1.29 O ATOM 0 H GLY A 18 3.335 -7.893 5.490 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.688 -8.348 3.326 1.00 0.77 H new ATOM 0 HA3 GLY A 18 3.007 -7.404 2.664 1.00 0.77 H new ATOM 279 N GLY A 19 2.918 -10.474 3.016 1.00 1.01 N ATOM 280 CA GLY A 19 3.649 -11.714 2.820 1.00 1.61 C ATOM 281 C GLY A 19 3.389 -12.741 3.900 1.00 0.89 C ATOM 282 O GLY A 19 3.013 -12.393 5.016 1.00 0.76 O ATOM 0 H GLY A 19 1.907 -10.547 2.899 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.378 -12.138 1.853 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.716 -11.496 2.785 1.00 1.61 H new ATOM 286 N VAL A 20 3.593 -14.013 3.560 1.00 0.97 N ATOM 287 CA VAL A 20 3.387 -15.106 4.506 1.00 1.05 C ATOM 288 C VAL A 20 4.388 -14.999 5.663 1.00 1.18 C ATOM 289 O VAL A 20 5.542 -14.613 5.457 1.00 1.35 O ATOM 290 CB VAL A 20 3.537 -16.486 3.827 1.00 1.68 C ATOM 291 CG1 VAL A 20 3.235 -17.610 4.810 1.00 1.76 C ATOM 292 CG2 VAL A 20 2.633 -16.587 2.605 1.00 2.72 C ATOM 0 H VAL A 20 3.901 -14.311 2.635 1.00 0.97 H new ATOM 0 HA VAL A 20 2.369 -15.021 4.886 1.00 1.05 H new ATOM 0 HB VAL A 20 4.571 -16.589 3.498 1.00 1.68 H new ATOM 0 HG11 VAL A 20 3.347 -18.571 4.309 1.00 1.76 H new ATOM 0 HG12 VAL A 20 3.928 -17.555 5.649 1.00 1.76 H new ATOM 0 HG13 VAL A 20 2.213 -17.509 5.176 1.00 1.76 H new ATOM 0 HG21 VAL A 20 2.755 -17.566 2.142 1.00 2.72 H new ATOM 0 HG22 VAL A 20 1.594 -16.456 2.909 1.00 2.72 H new ATOM 0 HG23 VAL A 20 2.902 -15.811 1.888 1.00 2.72 H new ATOM 302 N GLY A 21 3.943 -15.328 6.881 1.00 1.30 N ATOM 303 CA GLY A 21 4.821 -15.244 8.048 1.00 1.54 C ATOM 304 C GLY A 21 4.896 -13.836 8.638 1.00 1.24 C ATOM 305 O GLY A 21 5.309 -13.658 9.785 1.00 1.56 O ATOM 0 H GLY A 21 2.996 -15.649 7.081 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.466 -15.934 8.813 1.00 1.54 H new ATOM 0 HA3 GLY A 21 5.823 -15.568 7.766 1.00 1.54 H new ATOM 309 N ASN A 22 4.477 -12.846 7.849 1.00 0.73 N ATOM 310 CA ASN A 22 4.462 -11.443 8.263 1.00 0.61 C ATOM 311 C ASN A 22 3.207 -10.756 7.705 1.00 0.65 C ATOM 312 O ASN A 22 3.195 -9.542 7.485 1.00 0.67 O ATOM 313 CB ASN A 22 5.719 -10.707 7.759 1.00 0.47 C ATOM 314 CG ASN A 22 6.256 -11.277 6.458 1.00 0.74 C ATOM 315 OD1 ASN A 22 5.530 -11.062 5.370 1.00 1.27 O flip ATOM 316 ND2 ASN A 22 7.315 -11.904 6.433 1.00 1.63 N flip ATOM 0 H ASN A 22 4.137 -12.996 6.899 1.00 0.73 H new ATOM 0 HA ASN A 22 4.452 -11.405 9.352 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.484 -9.652 7.618 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.496 -10.761 8.522 1.00 0.47 H new ATOM 0 HD21 ASN A 22 7.843 -12.047 7.294 1.00 1.63 H new ATOM 0 HD22 ASN A 22 7.664 -12.280 5.552 1.00 1.63 H new ATOM 323 N GLN A 23 2.164 -11.554 7.443 1.00 0.77 N ATOM 324 CA GLN A 23 0.914 -11.055 6.871 1.00 0.94 C ATOM 325 C GLN A 23 0.190 -10.079 7.791 1.00 0.88 C ATOM 326 O GLN A 23 0.291 -10.155 9.016 1.00 0.87 O ATOM 327 CB GLN A 23 -0.011 -12.231 6.543 1.00 1.19 C ATOM 328 CG GLN A 23 -0.731 -12.091 5.211 1.00 1.42 C ATOM 329 CD GLN A 23 -1.252 -13.418 4.691 1.00 1.55 C ATOM 330 OE1 GLN A 23 -0.349 -14.258 4.194 1.00 1.62 O flip ATOM 331 NE2 GLN A 23 -2.454 -13.686 4.734 1.00 2.34 N flip ATOM 0 H GLN A 23 2.166 -12.558 7.622 1.00 0.77 H new ATOM 0 HA GLN A 23 1.175 -10.510 5.964 1.00 0.94 H new ATOM 0 HB2 GLN A 23 0.574 -13.150 6.534 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -0.751 -12.332 7.337 1.00 1.19 H new ATOM 0 HG2 GLN A 23 -1.563 -11.396 5.323 1.00 1.42 H new ATOM 0 HG3 GLN A 23 -0.051 -11.659 4.477 1.00 1.42 H new ATOM 0 HE21 GLN A 23 -3.113 -13.012 5.124 1.00 2.34 H new ATOM 0 HE22 GLN A 23 -2.790 -14.582 4.380 1.00 2.34 H new ATOM 340 N HIS A 24 -0.546 -9.160 7.168 1.00 0.86 N ATOM 341 CA HIS A 24 -1.312 -8.144 7.889 1.00 0.83 C ATOM 342 C HIS A 24 -2.725 -8.631 8.210 1.00 0.84 C ATOM 343 O HIS A 24 -3.322 -8.208 9.202 1.00 0.92 O ATOM 344 CB HIS A 24 -1.412 -6.869 7.049 1.00 0.85 C ATOM 345 CG HIS A 24 -1.952 -5.705 7.797 1.00 0.83 C ATOM 346 ND1 HIS A 24 -1.208 -4.977 8.690 1.00 0.90 N ATOM 347 CD2 HIS A 24 -3.176 -5.135 7.766 1.00 0.81 C ATOM 348 CE1 HIS A 24 -1.947 -4.006 9.178 1.00 0.88 C ATOM 349 NE2 HIS A 24 -3.148 -4.077 8.636 1.00 0.82 N ATOM 0 H HIS A 24 -0.628 -9.098 6.153 1.00 0.86 H new ATOM 0 HA HIS A 24 -0.789 -7.942 8.824 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.423 -6.617 6.667 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.048 -7.062 6.185 1.00 0.85 H new ATOM 0 HD2 HIS A 24 -4.018 -5.453 7.168 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -1.625 -3.272 9.902 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -3.927 -3.448 8.832 1.00 0.82 H new ATOM 358 N ILE A 25 -3.253 -9.513 7.363 1.00 0.80 N ATOM 359 CA ILE A 25 -4.596 -10.050 7.551 1.00 0.86 C ATOM 360 C ILE A 25 -4.678 -11.500 7.073 1.00 0.81 C ATOM 361 O ILE A 25 -4.275 -11.812 5.951 1.00 0.80 O ATOM 362 CB ILE A 25 -5.654 -9.204 6.802 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.388 -7.705 6.992 1.00 1.01 C ATOM 364 CG2 ILE A 25 -7.054 -9.557 7.284 1.00 1.51 C ATOM 365 CD1 ILE A 25 -6.485 -6.815 6.447 1.00 1.16 C ATOM 0 H ILE A 25 -2.769 -9.870 6.539 1.00 0.80 H new ATOM 0 HA ILE A 25 -4.808 -10.011 8.619 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.582 -9.432 5.739 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -5.261 -7.500 8.055 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -4.448 -7.448 6.504 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.786 -8.954 6.748 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -7.248 -10.613 7.097 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.132 -9.357 8.353 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -6.225 -5.770 6.619 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -6.598 -6.990 5.377 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -7.423 -7.043 6.953 1.00 1.16 H new ATOM 377 N PRO A 26 -5.205 -12.408 7.923 1.00 0.82 N ATOM 378 CA PRO A 26 -5.338 -13.832 7.583 1.00 0.82 C ATOM 379 C PRO A 26 -6.156 -14.050 6.311 1.00 0.86 C ATOM 380 O PRO A 26 -7.282 -13.562 6.193 1.00 0.95 O ATOM 381 CB PRO A 26 -6.057 -14.440 8.797 1.00 0.88 C ATOM 382 CG PRO A 26 -6.626 -13.280 9.544 1.00 0.98 C ATOM 383 CD PRO A 26 -5.710 -12.122 9.277 1.00 0.87 C ATOM 0 HA PRO A 26 -4.369 -14.289 7.382 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -6.842 -15.129 8.484 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.365 -15.007 9.420 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -7.640 -13.060 9.209 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -6.683 -13.494 10.611 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.239 -11.170 9.318 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -4.902 -12.069 10.007 1.00 0.87 H new ATOM 391 N GLY A 27 -5.575 -14.783 5.359 1.00 0.85 N ATOM 392 CA GLY A 27 -6.252 -15.055 4.102 1.00 0.94 C ATOM 393 C GLY A 27 -5.655 -14.281 2.941 1.00 0.92 C ATOM 394 O GLY A 27 -5.238 -14.873 1.944 1.00 1.06 O ATOM 0 H GLY A 27 -4.645 -15.193 5.439 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -6.199 -16.123 3.888 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -7.308 -14.801 4.199 1.00 0.94 H new ATOM 398 N ASP A 28 -5.610 -12.954 3.073 1.00 0.80 N ATOM 399 CA ASP A 28 -5.057 -12.094 2.027 1.00 0.80 C ATOM 400 C ASP A 28 -3.582 -11.792 2.289 1.00 0.65 C ATOM 401 O ASP A 28 -3.243 -11.070 3.229 1.00 0.57 O ATOM 402 CB ASP A 28 -5.853 -10.790 1.931 1.00 0.91 C ATOM 403 CG ASP A 28 -5.965 -10.284 0.505 1.00 1.08 C ATOM 404 OD1 ASP A 28 -4.996 -9.667 0.017 1.00 1.48 O ATOM 405 OD2 ASP A 28 -7.022 -10.504 -0.122 1.00 1.68 O ATOM 0 H ASP A 28 -5.950 -12.452 3.894 1.00 0.80 H new ATOM 0 HA ASP A 28 -5.134 -12.625 1.078 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.852 -10.947 2.337 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -5.374 -10.029 2.547 1.00 0.91 H new ATOM 410 N ASN A 29 -2.711 -12.363 1.453 1.00 0.69 N ATOM 411 CA ASN A 29 -1.264 -12.168 1.591 1.00 0.63 C ATOM 412 C ASN A 29 -0.770 -10.897 0.882 1.00 0.59 C ATOM 413 O ASN A 29 0.434 -10.735 0.668 1.00 0.65 O ATOM 414 CB ASN A 29 -0.514 -13.391 1.059 1.00 0.79 C ATOM 415 CG ASN A 29 -0.727 -13.615 -0.430 1.00 1.36 C ATOM 416 OD1 ASN A 29 -1.692 -14.261 -0.839 1.00 2.11 O ATOM 417 ND2 ASN A 29 0.175 -13.082 -1.250 1.00 1.98 N ATOM 0 H ASN A 29 -2.981 -12.964 0.674 1.00 0.69 H new ATOM 0 HA ASN A 29 -1.058 -12.044 2.654 1.00 0.63 H new ATOM 0 HB2 ASN A 29 0.552 -13.271 1.254 1.00 0.79 H new ATOM 0 HB3 ASN A 29 -0.840 -14.276 1.605 1.00 0.79 H new ATOM 0 HD21 ASN A 29 0.081 -13.202 -2.259 1.00 1.98 H new ATOM 0 HD22 ASN A 29 0.960 -12.553 -0.870 1.00 1.98 H new ATOM 424 N SER A 30 -1.687 -9.984 0.546 1.00 0.56 N ATOM 425 CA SER A 30 -1.309 -8.728 -0.104 1.00 0.56 C ATOM 426 C SER A 30 -0.926 -7.702 0.957 1.00 0.55 C ATOM 427 O SER A 30 -1.242 -7.879 2.133 1.00 0.55 O ATOM 428 CB SER A 30 -2.452 -8.189 -0.969 1.00 0.60 C ATOM 429 OG SER A 30 -2.773 -9.093 -2.012 1.00 1.39 O ATOM 0 H SER A 30 -2.688 -10.091 0.712 1.00 0.56 H new ATOM 0 HA SER A 30 -0.456 -8.917 -0.755 1.00 0.56 H new ATOM 0 HB2 SER A 30 -3.332 -8.017 -0.349 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.168 -7.226 -1.393 1.00 0.60 H new ATOM 0 HG SER A 30 -3.592 -9.579 -1.783 1.00 1.39 H new ATOM 435 N ILE A 31 -0.202 -6.659 0.560 1.00 0.55 N ATOM 436 CA ILE A 31 0.255 -5.649 1.517 1.00 0.55 C ATOM 437 C ILE A 31 -0.877 -4.718 1.984 1.00 0.57 C ATOM 438 O ILE A 31 -1.607 -4.157 1.174 1.00 0.65 O ATOM 439 CB ILE A 31 1.408 -4.802 0.915 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.738 -5.562 0.977 1.00 0.62 C ATOM 441 CG2 ILE A 31 1.541 -3.463 1.633 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.699 -6.940 0.353 1.00 0.80 C ATOM 0 H ILE A 31 0.080 -6.490 -0.406 1.00 0.55 H new ATOM 0 HA ILE A 31 0.616 -6.194 2.389 1.00 0.55 H new ATOM 0 HB ILE A 31 1.162 -4.612 -0.130 1.00 0.53 H new ATOM 0 HG12 ILE A 31 3.504 -4.971 0.476 1.00 0.62 H new ATOM 0 HG13 ILE A 31 3.040 -5.657 2.020 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.357 -2.892 1.190 1.00 0.60 H new ATOM 0 HG22 ILE A 31 0.611 -2.904 1.535 1.00 0.60 H new ATOM 0 HG23 ILE A 31 1.751 -3.635 2.689 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.680 -7.407 0.440 1.00 0.80 H new ATOM 0 HD12 ILE A 31 1.959 -7.552 0.868 1.00 0.80 H new ATOM 0 HD13 ILE A 31 2.430 -6.855 -0.700 1.00 0.80 H new ATOM 454 N TYR A 32 -0.996 -4.556 3.310 1.00 0.60 N ATOM 455 CA TYR A 32 -2.010 -3.692 3.910 1.00 0.62 C ATOM 456 C TYR A 32 -1.359 -2.601 4.762 1.00 0.59 C ATOM 457 O TYR A 32 -0.315 -2.825 5.371 1.00 0.61 O ATOM 458 CB TYR A 32 -2.946 -4.513 4.793 1.00 0.69 C ATOM 459 CG TYR A 32 -3.900 -5.396 4.031 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.452 -6.536 3.383 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.248 -5.087 3.965 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.321 -7.350 2.685 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.129 -5.891 3.276 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.662 -7.023 2.635 1.00 0.80 C ATOM 465 OH TYR A 32 -6.536 -7.828 1.946 1.00 0.86 O ATOM 0 H TYR A 32 -0.393 -5.020 3.989 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.575 -3.228 3.101 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.347 -5.134 5.459 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.521 -3.834 5.423 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.404 -6.792 3.425 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.615 -4.201 4.462 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.956 -8.234 2.183 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.178 -5.638 3.237 1.00 1.38 H new ATOM 0 HH TYR A 32 -7.122 -8.292 2.580 1.00 0.86 H new ATOM 475 N VAL A 33 -1.997 -1.432 4.816 1.00 0.57 N ATOM 476 CA VAL A 33 -1.494 -0.312 5.612 1.00 0.55 C ATOM 477 C VAL A 33 -1.801 -0.523 7.097 1.00 0.59 C ATOM 478 O VAL A 33 -2.948 -0.766 7.475 1.00 0.65 O ATOM 479 CB VAL A 33 -2.093 1.032 5.136 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.750 2.159 6.105 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.601 1.364 3.734 1.00 0.56 C ATOM 0 H VAL A 33 -2.865 -1.236 4.317 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.413 -0.272 5.475 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.178 0.930 5.110 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -2.184 3.092 5.746 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -2.154 1.927 7.091 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.667 2.264 6.172 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -2.031 2.313 3.413 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.514 1.442 3.739 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.905 0.576 3.045 1.00 0.56 H new ATOM 491 N THR A 34 -0.755 -0.466 7.924 1.00 0.62 N ATOM 492 CA THR A 34 -0.893 -0.690 9.367 1.00 0.71 C ATOM 493 C THR A 34 -1.053 0.608 10.172 1.00 0.72 C ATOM 494 O THR A 34 -1.677 0.595 11.233 1.00 0.84 O ATOM 495 CB THR A 34 0.312 -1.485 9.896 1.00 0.74 C ATOM 496 OG1 THR A 34 1.377 -0.622 10.254 1.00 1.39 O ATOM 497 CG2 THR A 34 0.859 -2.493 8.904 1.00 1.29 C ATOM 0 H THR A 34 0.198 -0.267 7.620 1.00 0.62 H new ATOM 0 HA THR A 34 -1.811 -1.261 9.504 1.00 0.71 H new ATOM 0 HB THR A 34 -0.071 -2.022 10.764 1.00 0.74 H new ATOM 0 HG1 THR A 34 1.893 -1.024 10.984 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.707 -3.016 9.346 1.00 1.29 H new ATOM 0 HG22 THR A 34 0.081 -3.213 8.651 1.00 1.29 H new ATOM 0 HG23 THR A 34 1.183 -1.976 8.001 1.00 1.29 H new ATOM 505 N LYS A 35 -0.499 1.718 9.671 1.00 0.65 N ATOM 506 CA LYS A 35 -0.592 3.012 10.364 1.00 0.71 C ATOM 507 C LYS A 35 -0.197 4.162 9.440 1.00 0.69 C ATOM 508 O LYS A 35 0.868 4.131 8.829 1.00 0.62 O ATOM 509 CB LYS A 35 0.322 3.041 11.600 1.00 0.72 C ATOM 510 CG LYS A 35 -0.193 2.242 12.785 1.00 1.32 C ATOM 511 CD LYS A 35 0.345 2.784 14.102 1.00 1.46 C ATOM 512 CE LYS A 35 -0.741 3.484 14.907 1.00 2.02 C ATOM 513 NZ LYS A 35 -1.234 2.639 16.031 1.00 2.54 N ATOM 0 H LYS A 35 0.017 1.748 8.792 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.630 3.134 10.673 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.303 2.658 11.319 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.460 4.077 11.909 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -1.283 2.270 12.797 1.00 1.32 H new ATOM 0 HG3 LYS A 35 0.098 1.197 12.675 1.00 1.32 H new ATOM 0 HD2 LYS A 35 0.763 1.966 14.689 1.00 1.46 H new ATOM 0 HD3 LYS A 35 1.158 3.482 13.903 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -0.352 4.422 15.302 1.00 2.02 H new ATOM 0 HE3 LYS A 35 -1.574 3.736 14.250 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -1.972 3.153 16.554 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -1.629 1.754 15.653 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 -0.445 2.419 16.672 1.00 2.54 H new ATOM 527 N ILE A 36 -1.047 5.182 9.350 1.00 0.86 N ATOM 528 CA ILE A 36 -0.756 6.335 8.503 1.00 0.92 C ATOM 529 C ILE A 36 -0.213 7.504 9.331 1.00 0.98 C ATOM 530 O ILE A 36 -0.865 7.965 10.271 1.00 1.06 O ATOM 531 CB ILE A 36 -2.002 6.792 7.714 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.417 5.707 6.713 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.726 8.108 6.996 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.548 6.120 5.797 1.00 1.35 C ATOM 0 H ILE A 36 -1.935 5.234 9.849 1.00 0.86 H new ATOM 0 HA ILE A 36 0.006 6.020 7.790 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.822 6.952 8.414 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.553 5.435 6.107 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -2.715 4.814 7.262 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.615 8.415 6.445 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.469 8.875 7.727 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -0.896 7.977 6.302 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.784 5.300 5.118 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.428 6.363 6.392 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -3.248 6.994 5.219 1.00 1.35 H new ATOM 546 N ILE A 37 0.981 7.984 8.968 1.00 1.03 N ATOM 547 CA ILE A 37 1.614 9.102 9.665 1.00 1.10 C ATOM 548 C ILE A 37 0.955 10.425 9.267 1.00 1.10 C ATOM 549 O ILE A 37 0.514 10.591 8.127 1.00 1.37 O ATOM 550 CB ILE A 37 3.137 9.150 9.366 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.870 8.080 10.179 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.721 10.527 9.651 1.00 1.32 C ATOM 553 CD1 ILE A 37 4.601 7.066 9.327 1.00 1.68 C ATOM 0 H ILE A 37 1.528 7.612 8.192 1.00 1.03 H new ATOM 0 HA ILE A 37 1.479 8.952 10.736 1.00 1.10 H new ATOM 0 HB ILE A 37 3.275 8.947 8.304 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.584 8.566 10.843 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.150 7.560 10.811 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.788 10.522 9.430 1.00 1.32 H new ATOM 0 HG22 ILE A 37 3.224 11.269 9.026 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.569 10.777 10.701 1.00 1.32 H new ATOM 0 HD11 ILE A 37 5.097 6.339 9.971 1.00 1.68 H new ATOM 0 HD12 ILE A 37 3.889 6.552 8.681 1.00 1.68 H new ATOM 0 HD13 ILE A 37 5.345 7.575 8.714 1.00 1.68 H new ATOM 565 N GLU A 38 0.885 11.362 10.216 1.00 0.96 N ATOM 566 CA GLU A 38 0.273 12.668 9.971 1.00 0.99 C ATOM 567 C GLU A 38 0.980 13.415 8.840 1.00 1.31 C ATOM 568 O GLU A 38 2.197 13.308 8.675 1.00 1.64 O ATOM 569 CB GLU A 38 0.280 13.518 11.247 1.00 1.23 C ATOM 570 CG GLU A 38 -0.925 13.279 12.146 1.00 1.71 C ATOM 571 CD GLU A 38 -1.156 11.807 12.445 1.00 2.41 C ATOM 572 OE1 GLU A 38 -0.519 11.284 13.382 1.00 3.11 O ATOM 573 OE2 GLU A 38 -1.974 11.178 11.738 1.00 2.79 O ATOM 0 H GLU A 38 1.246 11.239 11.162 1.00 0.96 H new ATOM 0 HA GLU A 38 -0.759 12.493 9.668 1.00 0.99 H new ATOM 0 HB2 GLU A 38 1.190 13.307 11.809 1.00 1.23 H new ATOM 0 HB3 GLU A 38 0.313 14.572 10.971 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -0.785 13.818 13.083 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -1.815 13.692 11.670 1.00 1.71 H new ATOM 580 N GLY A 39 0.198 14.173 8.068 1.00 1.69 N ATOM 581 CA GLY A 39 0.739 14.941 6.956 1.00 2.36 C ATOM 582 C GLY A 39 1.442 14.084 5.908 1.00 2.68 C ATOM 583 O GLY A 39 2.271 14.592 5.150 1.00 3.15 O ATOM 0 H GLY A 39 -0.809 14.268 8.196 1.00 1.69 H new ATOM 0 HA2 GLY A 39 -0.071 15.493 6.479 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.443 15.678 7.342 1.00 2.36 H new ATOM 587 N GLY A 40 1.117 12.789 5.864 1.00 2.49 N ATOM 588 CA GLY A 40 1.738 11.892 4.900 1.00 2.80 C ATOM 589 C GLY A 40 0.951 11.783 3.605 1.00 2.61 C ATOM 590 O GLY A 40 -0.169 12.283 3.509 1.00 2.37 O ATOM 0 H GLY A 40 0.434 12.347 6.480 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.745 12.245 4.679 1.00 2.80 H new ATOM 0 HA3 GLY A 40 1.837 10.901 5.344 1.00 2.80 H new ATOM 594 N ALA A 41 1.547 11.127 2.607 1.00 2.83 N ATOM 595 CA ALA A 41 0.914 10.942 1.300 1.00 2.70 C ATOM 596 C ALA A 41 -0.536 10.478 1.429 1.00 2.11 C ATOM 597 O ALA A 41 -1.449 11.134 0.925 1.00 2.06 O ATOM 598 CB ALA A 41 1.709 9.947 0.466 1.00 3.00 C ATOM 0 H ALA A 41 2.476 10.712 2.681 1.00 2.83 H new ATOM 0 HA ALA A 41 0.907 11.910 0.800 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.228 9.818 -0.503 1.00 3.00 H new ATOM 0 HB2 ALA A 41 2.722 10.321 0.321 1.00 3.00 H new ATOM 0 HB3 ALA A 41 1.747 8.988 0.982 1.00 3.00 H new ATOM 604 N ALA A 42 -0.743 9.345 2.108 1.00 1.82 N ATOM 605 CA ALA A 42 -2.086 8.799 2.302 1.00 1.36 C ATOM 606 C ALA A 42 -2.936 9.721 3.173 1.00 1.16 C ATOM 607 O ALA A 42 -4.064 10.058 2.813 1.00 1.02 O ATOM 608 CB ALA A 42 -2.008 7.408 2.918 1.00 1.50 C ATOM 0 H ALA A 42 0.002 8.791 2.531 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.565 8.725 1.325 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -3.015 7.014 3.057 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -1.448 6.748 2.256 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.505 7.465 3.883 1.00 1.50 H new ATOM 614 N HIS A 43 -2.384 10.122 4.322 1.00 1.34 N ATOM 615 CA HIS A 43 -3.078 11.007 5.262 1.00 1.21 C ATOM 616 C HIS A 43 -3.629 12.252 4.561 1.00 1.08 C ATOM 617 O HIS A 43 -4.795 12.608 4.739 1.00 1.15 O ATOM 618 CB HIS A 43 -2.121 11.424 6.381 1.00 1.39 C ATOM 619 CG HIS A 43 -2.783 12.139 7.515 1.00 1.16 C ATOM 620 ND1 HIS A 43 -2.929 13.509 7.556 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.327 11.671 8.663 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.529 13.854 8.680 1.00 1.22 C ATOM 623 NE2 HIS A 43 -3.783 12.755 9.369 1.00 1.28 N ATOM 0 H HIS A 43 -1.450 9.845 4.625 1.00 1.34 H new ATOM 0 HA HIS A 43 -3.921 10.458 5.682 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.622 10.535 6.768 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.347 12.067 5.962 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.390 10.636 8.967 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -3.771 14.862 8.984 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.244 12.719 10.278 1.00 1.28 H new ATOM 632 N LYS A 44 -2.780 12.908 3.768 1.00 1.15 N ATOM 633 CA LYS A 44 -3.171 14.116 3.039 1.00 1.31 C ATOM 634 C LYS A 44 -4.155 13.796 1.913 1.00 1.39 C ATOM 635 O LYS A 44 -5.095 14.554 1.672 1.00 1.46 O ATOM 636 CB LYS A 44 -1.935 14.815 2.464 1.00 1.74 C ATOM 637 CG LYS A 44 -0.976 15.336 3.524 1.00 1.89 C ATOM 638 CD LYS A 44 -0.507 16.748 3.208 1.00 2.36 C ATOM 639 CE LYS A 44 -0.235 17.545 4.475 1.00 2.17 C ATOM 640 NZ LYS A 44 -1.494 18.010 5.125 1.00 2.66 N ATOM 0 H LYS A 44 -1.813 12.622 3.614 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.667 14.782 3.746 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -1.403 14.118 1.817 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -2.258 15.647 1.839 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -1.467 15.324 4.497 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -0.114 14.672 3.594 1.00 1.89 H new ATOM 0 HD2 LYS A 44 0.399 16.704 2.604 1.00 2.36 H new ATOM 0 HD3 LYS A 44 -1.264 17.258 2.612 1.00 2.36 H new ATOM 0 HE2 LYS A 44 0.329 16.930 5.176 1.00 2.17 H new ATOM 0 HE3 LYS A 44 0.388 18.406 4.234 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 -1.262 18.563 5.975 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 -2.029 18.605 4.460 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 -2.070 17.187 5.394 1.00 2.66 H new ATOM 654 N ASP A 45 -3.932 12.671 1.228 1.00 1.59 N ATOM 655 CA ASP A 45 -4.800 12.254 0.129 1.00 1.86 C ATOM 656 C ASP A 45 -6.219 11.975 0.627 1.00 1.89 C ATOM 657 O ASP A 45 -7.183 12.565 0.135 1.00 1.97 O ATOM 658 CB ASP A 45 -4.232 11.009 -0.559 1.00 2.33 C ATOM 659 CG ASP A 45 -4.638 10.915 -2.017 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.763 10.448 -2.291 1.00 2.80 O ATOM 661 OD2 ASP A 45 -3.831 11.309 -2.885 1.00 3.24 O ATOM 0 H ASP A 45 -3.158 12.035 1.417 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.843 13.069 -0.593 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -3.144 11.023 -0.488 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.574 10.118 -0.032 1.00 2.33 H new ATOM 666 N GLY A 46 -6.336 11.072 1.603 1.00 2.08 N ATOM 667 CA GLY A 46 -7.638 10.728 2.155 1.00 2.49 C ATOM 668 C GLY A 46 -8.229 9.464 1.548 1.00 2.11 C ATOM 669 O GLY A 46 -9.035 8.787 2.189 1.00 2.47 O ATOM 0 H GLY A 46 -5.551 10.573 2.021 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.546 10.597 3.233 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -8.326 11.558 1.992 1.00 2.49 H new ATOM 673 N LYS A 47 -7.832 9.146 0.312 1.00 1.87 N ATOM 674 CA LYS A 47 -8.332 7.955 -0.375 1.00 2.32 C ATOM 675 C LYS A 47 -7.830 6.674 0.292 1.00 1.93 C ATOM 676 O LYS A 47 -8.563 5.686 0.377 1.00 1.95 O ATOM 677 CB LYS A 47 -7.917 7.975 -1.849 1.00 2.80 C ATOM 678 CG LYS A 47 -8.787 8.875 -2.713 1.00 3.64 C ATOM 679 CD LYS A 47 -8.095 9.244 -4.018 1.00 4.17 C ATOM 680 CE LYS A 47 -8.806 8.641 -5.221 1.00 5.03 C ATOM 681 NZ LYS A 47 -8.415 9.312 -6.492 1.00 5.67 N ATOM 0 H LYS A 47 -7.167 9.697 -0.231 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.420 7.967 -0.309 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -6.881 8.306 -1.922 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -7.956 6.959 -2.243 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -9.729 8.371 -2.930 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -9.032 9.783 -2.162 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -8.064 10.329 -4.120 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -7.062 8.896 -3.993 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -8.573 7.578 -5.285 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -9.884 8.723 -5.084 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -8.921 8.872 -7.287 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -8.660 10.321 -6.441 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -7.390 9.212 -6.636 1.00 5.67 H new ATOM 695 N LEU A 48 -6.581 6.692 0.764 1.00 1.68 N ATOM 696 CA LEU A 48 -5.992 5.528 1.420 1.00 1.38 C ATOM 697 C LEU A 48 -6.245 5.552 2.926 1.00 1.28 C ATOM 698 O LEU A 48 -5.864 6.499 3.617 1.00 1.35 O ATOM 699 CB LEU A 48 -4.486 5.462 1.146 1.00 1.19 C ATOM 700 CG LEU A 48 -3.876 4.057 1.204 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.601 3.992 0.380 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.603 3.646 2.644 1.00 1.06 C ATOM 0 H LEU A 48 -5.961 7.500 0.703 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.470 4.640 1.007 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -4.293 5.885 0.160 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.973 6.094 1.870 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.596 3.357 0.780 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -2.184 2.987 0.434 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.826 4.236 -0.658 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.878 4.707 0.772 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -3.170 2.646 2.661 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.906 4.351 3.098 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.537 3.647 3.206 1.00 1.06 H new ATOM 714 N GLN A 49 -6.882 4.493 3.425 1.00 1.21 N ATOM 715 CA GLN A 49 -7.185 4.360 4.844 1.00 1.17 C ATOM 716 C GLN A 49 -6.706 3.003 5.363 1.00 1.09 C ATOM 717 O GLN A 49 -6.802 1.997 4.659 1.00 1.14 O ATOM 718 CB GLN A 49 -8.691 4.526 5.085 1.00 1.30 C ATOM 719 CG GLN A 49 -9.533 3.332 4.652 1.00 1.46 C ATOM 720 CD GLN A 49 -9.725 3.260 3.148 1.00 1.45 C ATOM 721 OE1 GLN A 49 -9.087 2.281 2.516 1.00 1.54 O flip ATOM 722 NE2 GLN A 49 -10.436 4.075 2.562 1.00 1.52 N flip ATOM 0 H GLN A 49 -7.200 3.708 2.857 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.660 5.144 5.389 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -8.859 4.708 6.147 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -9.037 5.411 4.552 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.057 2.414 4.997 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.508 3.387 5.136 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -10.908 4.811 3.087 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.554 4.015 1.551 1.00 1.52 H new ATOM 731 N ILE A 50 -6.189 2.979 6.594 1.00 1.06 N ATOM 732 CA ILE A 50 -5.694 1.736 7.196 1.00 1.03 C ATOM 733 C ILE A 50 -6.695 0.594 7.009 1.00 1.05 C ATOM 734 O ILE A 50 -7.865 0.717 7.378 1.00 1.16 O ATOM 735 CB ILE A 50 -5.391 1.901 8.705 1.00 1.08 C ATOM 736 CG1 ILE A 50 -6.537 2.629 9.418 1.00 1.76 C ATOM 737 CG2 ILE A 50 -4.078 2.645 8.906 1.00 1.14 C ATOM 738 CD1 ILE A 50 -6.875 2.046 10.773 1.00 2.56 C ATOM 0 H ILE A 50 -6.102 3.801 7.192 1.00 1.06 H new ATOM 0 HA ILE A 50 -4.765 1.494 6.680 1.00 1.03 H new ATOM 0 HB ILE A 50 -5.297 0.907 9.143 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -6.269 3.679 9.540 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -7.425 2.598 8.787 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -3.880 2.752 9.973 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -3.267 2.084 8.441 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.145 3.632 8.448 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -7.694 2.611 11.218 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -7.174 1.004 10.657 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -6.001 2.102 11.422 1.00 2.56 H new ATOM 750 N GLY A 51 -6.229 -0.509 6.417 1.00 1.02 N ATOM 751 CA GLY A 51 -7.094 -1.653 6.169 1.00 1.10 C ATOM 752 C GLY A 51 -7.181 -2.023 4.697 1.00 1.04 C ATOM 753 O GLY A 51 -7.535 -3.157 4.368 1.00 1.03 O ATOM 0 H GLY A 51 -5.265 -0.629 6.105 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -6.724 -2.510 6.732 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.094 -1.433 6.543 1.00 1.10 H new ATOM 757 N ASP A 52 -6.853 -1.081 3.802 1.00 1.04 N ATOM 758 CA ASP A 52 -6.889 -1.349 2.372 1.00 1.01 C ATOM 759 C ASP A 52 -5.734 -2.262 1.968 1.00 0.91 C ATOM 760 O ASP A 52 -4.726 -2.360 2.684 1.00 0.88 O ATOM 761 CB ASP A 52 -6.844 -0.044 1.565 1.00 1.03 C ATOM 762 CG ASP A 52 -5.808 0.947 2.059 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.717 0.519 2.494 1.00 1.55 O ATOM 764 OD2 ASP A 52 -6.090 2.160 1.999 1.00 1.56 O ATOM 0 H ASP A 52 -6.563 -0.135 4.048 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.829 -1.855 2.149 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.638 -0.280 0.521 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.827 0.426 1.597 1.00 1.03 H new ATOM 769 N LYS A 53 -5.877 -2.922 0.816 1.00 0.88 N ATOM 770 CA LYS A 53 -4.837 -3.819 0.324 1.00 0.82 C ATOM 771 C LYS A 53 -4.107 -3.221 -0.873 1.00 0.76 C ATOM 772 O LYS A 53 -4.675 -2.477 -1.661 1.00 0.87 O ATOM 773 CB LYS A 53 -5.434 -5.178 -0.061 1.00 0.94 C ATOM 774 CG LYS A 53 -6.639 -5.089 -0.984 1.00 1.33 C ATOM 775 CD LYS A 53 -7.945 -5.142 -0.204 1.00 1.83 C ATOM 776 CE LYS A 53 -8.467 -6.566 -0.079 1.00 2.37 C ATOM 777 NZ LYS A 53 -9.086 -6.817 1.252 1.00 3.23 N ATOM 0 H LYS A 53 -6.697 -2.851 0.213 1.00 0.88 H new ATOM 0 HA LYS A 53 -4.118 -3.959 1.131 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.663 -5.777 -0.545 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.724 -5.706 0.848 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.593 -4.162 -1.556 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.610 -5.908 -1.702 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.793 -4.721 0.790 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.692 -4.523 -0.701 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -9.202 -6.753 -0.862 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -7.648 -7.268 -0.236 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -9.518 -7.763 1.261 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -8.355 -6.763 1.990 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -9.817 -6.100 1.436 1.00 3.23 H new ATOM 791 N LEU A 54 -2.836 -3.551 -0.982 1.00 0.64 N ATOM 792 CA LEU A 54 -2.001 -3.040 -2.062 1.00 0.66 C ATOM 793 C LEU A 54 -1.914 -4.025 -3.221 1.00 0.64 C ATOM 794 O LEU A 54 -1.211 -5.034 -3.143 1.00 0.79 O ATOM 795 CB LEU A 54 -0.603 -2.691 -1.547 1.00 0.73 C ATOM 796 CG LEU A 54 -0.356 -1.192 -1.342 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.759 -0.961 -0.333 1.00 1.11 C ATOM 798 CD2 LEU A 54 -0.029 -0.521 -2.668 1.00 1.72 C ATOM 0 H LEU A 54 -2.352 -4.174 -0.335 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.471 -2.131 -2.436 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.440 -3.206 -0.600 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.136 -3.075 -2.250 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.268 -0.746 -0.946 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.917 0.110 -0.204 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.482 -1.405 0.623 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.678 -1.422 -0.695 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.144 0.543 -2.505 1.00 1.72 H new ATOM 0 HD22 LEU A 54 0.867 -0.973 -3.093 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.863 -0.652 -3.357 1.00 1.72 H new ATOM 810 N LEU A 55 -2.628 -3.707 -4.302 1.00 0.56 N ATOM 811 CA LEU A 55 -2.636 -4.536 -5.499 1.00 0.58 C ATOM 812 C LEU A 55 -1.301 -4.420 -6.225 1.00 0.54 C ATOM 813 O LEU A 55 -0.652 -5.428 -6.502 1.00 0.56 O ATOM 814 CB LEU A 55 -3.779 -4.126 -6.434 1.00 0.66 C ATOM 815 CG LEU A 55 -3.887 -4.938 -7.730 1.00 0.91 C ATOM 816 CD1 LEU A 55 -5.336 -5.302 -8.016 1.00 1.27 C ATOM 817 CD2 LEU A 55 -3.290 -4.164 -8.898 1.00 1.87 C ATOM 0 H LEU A 55 -3.212 -2.873 -4.369 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.790 -5.572 -5.199 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.720 -4.213 -5.891 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.656 -3.074 -6.693 1.00 0.66 H new ATOM 0 HG LEU A 55 -3.321 -5.861 -7.603 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -5.391 -5.878 -8.940 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -5.731 -5.898 -7.193 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.926 -4.392 -8.120 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -3.376 -4.756 -9.809 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -3.827 -3.224 -9.024 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -2.239 -3.957 -8.698 1.00 1.87 H new ATOM 829 N ALA A 56 -0.893 -3.186 -6.533 1.00 0.51 N ATOM 830 CA ALA A 56 0.376 -2.972 -7.230 1.00 0.49 C ATOM 831 C ALA A 56 1.030 -1.641 -6.836 1.00 0.53 C ATOM 832 O ALA A 56 0.343 -0.669 -6.527 1.00 0.67 O ATOM 833 CB ALA A 56 0.151 -3.022 -8.742 1.00 0.54 C ATOM 0 H ALA A 56 -1.412 -2.335 -6.315 1.00 0.51 H new ATOM 0 HA ALA A 56 1.057 -3.770 -6.934 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.099 -2.862 -9.256 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.252 -3.997 -9.018 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.555 -2.243 -9.031 1.00 0.54 H new ATOM 839 N VAL A 57 2.368 -1.609 -6.857 1.00 0.50 N ATOM 840 CA VAL A 57 3.119 -0.400 -6.511 1.00 0.59 C ATOM 841 C VAL A 57 4.118 -0.043 -7.611 1.00 0.53 C ATOM 842 O VAL A 57 5.094 -0.759 -7.830 1.00 0.52 O ATOM 843 CB VAL A 57 3.875 -0.560 -5.174 1.00 0.77 C ATOM 844 CG1 VAL A 57 4.521 0.755 -4.760 1.00 1.42 C ATOM 845 CG2 VAL A 57 2.941 -1.064 -4.085 1.00 1.47 C ATOM 0 H VAL A 57 2.951 -2.407 -7.110 1.00 0.50 H new ATOM 0 HA VAL A 57 2.390 0.404 -6.407 1.00 0.59 H new ATOM 0 HB VAL A 57 4.664 -1.298 -5.316 1.00 0.77 H new ATOM 0 HG11 VAL A 57 5.048 0.620 -3.816 1.00 1.42 H new ATOM 0 HG12 VAL A 57 5.227 1.071 -5.528 1.00 1.42 H new ATOM 0 HG13 VAL A 57 3.751 1.517 -4.640 1.00 1.42 H new ATOM 0 HG21 VAL A 57 3.494 -1.170 -3.152 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.127 -0.353 -3.946 1.00 1.47 H new ATOM 0 HG23 VAL A 57 2.532 -2.032 -4.376 1.00 1.47 H new ATOM 855 N ASN A 58 3.868 1.072 -8.301 1.00 0.57 N ATOM 856 CA ASN A 58 4.744 1.531 -9.382 1.00 0.58 C ATOM 857 C ASN A 58 4.796 0.510 -10.528 1.00 0.59 C ATOM 858 O ASN A 58 5.866 0.221 -11.069 1.00 0.60 O ATOM 859 CB ASN A 58 6.154 1.814 -8.846 1.00 0.57 C ATOM 860 CG ASN A 58 6.296 3.225 -8.304 1.00 0.80 C ATOM 861 OD1 ASN A 58 5.814 3.533 -7.213 1.00 1.39 O ATOM 862 ND2 ASN A 58 6.958 4.092 -9.064 1.00 1.49 N ATOM 0 H ASN A 58 3.064 1.675 -8.130 1.00 0.57 H new ATOM 0 HA ASN A 58 4.330 2.458 -9.780 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.390 1.100 -8.057 1.00 0.57 H new ATOM 0 HB3 ASN A 58 6.881 1.660 -9.644 1.00 0.57 H new ATOM 0 HD21 ASN A 58 7.083 5.054 -8.750 1.00 1.49 H new ATOM 0 HD22 ASN A 58 7.341 3.795 -9.961 1.00 1.49 H new ATOM 869 N ASN A 59 3.620 -0.020 -10.887 1.00 0.60 N ATOM 870 CA ASN A 59 3.478 -1.006 -11.971 1.00 0.65 C ATOM 871 C ASN A 59 3.730 -2.448 -11.502 1.00 0.61 C ATOM 872 O ASN A 59 3.282 -3.391 -12.157 1.00 0.67 O ATOM 873 CB ASN A 59 4.409 -0.672 -13.145 1.00 0.71 C ATOM 874 CG ASN A 59 3.792 -1.011 -14.489 1.00 1.18 C ATOM 875 OD1 ASN A 59 3.136 -0.176 -15.111 1.00 1.74 O ATOM 876 ND2 ASN A 59 3.995 -2.244 -14.944 1.00 1.52 N ATOM 0 H ASN A 59 2.738 0.222 -10.435 1.00 0.60 H new ATOM 0 HA ASN A 59 2.441 -0.945 -12.302 1.00 0.65 H new ATOM 0 HB2 ASN A 59 4.655 0.390 -13.119 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.345 -1.219 -13.030 1.00 0.71 H new ATOM 0 HD21 ASN A 59 3.600 -2.528 -15.841 1.00 1.52 H new ATOM 0 HD22 ASN A 59 4.545 -2.906 -14.396 1.00 1.52 H new ATOM 883 N VAL A 60 4.426 -2.626 -10.375 1.00 0.53 N ATOM 884 CA VAL A 60 4.697 -3.968 -9.854 1.00 0.52 C ATOM 885 C VAL A 60 3.545 -4.443 -8.976 1.00 0.51 C ATOM 886 O VAL A 60 2.869 -3.631 -8.357 1.00 0.50 O ATOM 887 CB VAL A 60 6.013 -4.030 -9.037 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.159 -3.375 -9.795 1.00 0.51 C ATOM 889 CG2 VAL A 60 5.847 -3.396 -7.661 1.00 0.54 C ATOM 0 H VAL A 60 4.808 -1.866 -9.812 1.00 0.53 H new ATOM 0 HA VAL A 60 4.803 -4.622 -10.720 1.00 0.52 H new ATOM 0 HB VAL A 60 6.256 -5.083 -8.892 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.070 -3.433 -9.199 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.312 -3.893 -10.742 1.00 0.51 H new ATOM 0 HG13 VAL A 60 6.917 -2.330 -9.988 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.789 -3.457 -7.116 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.561 -2.350 -7.774 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.072 -3.926 -7.107 1.00 0.54 H new ATOM 899 N CYS A 61 3.330 -5.754 -8.906 1.00 0.53 N ATOM 900 CA CYS A 61 2.257 -6.295 -8.074 1.00 0.54 C ATOM 901 C CYS A 61 2.766 -6.556 -6.661 1.00 0.58 C ATOM 902 O CYS A 61 3.839 -7.134 -6.474 1.00 0.72 O ATOM 903 CB CYS A 61 1.677 -7.571 -8.682 1.00 0.56 C ATOM 904 SG CYS A 61 2.836 -8.958 -8.765 1.00 0.71 S ATOM 0 H CYS A 61 3.876 -6.454 -9.408 1.00 0.53 H new ATOM 0 HA CYS A 61 1.457 -5.556 -8.027 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.808 -7.874 -8.097 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.322 -7.350 -9.689 1.00 0.56 H new ATOM 0 HG CYS A 61 3.744 -8.821 -7.845 1.00 0.71 H new ATOM 910 N LEU A 62 2.002 -6.106 -5.669 1.00 0.55 N ATOM 911 CA LEU A 62 2.386 -6.271 -4.272 1.00 0.62 C ATOM 912 C LEU A 62 1.650 -7.434 -3.587 1.00 0.58 C ATOM 913 O LEU A 62 1.322 -7.357 -2.396 1.00 0.51 O ATOM 914 CB LEU A 62 2.155 -4.956 -3.522 1.00 0.77 C ATOM 915 CG LEU A 62 3.183 -4.644 -2.430 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.559 -4.411 -3.039 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.752 -3.433 -1.619 1.00 1.08 C ATOM 0 H LEU A 62 1.114 -5.624 -5.808 1.00 0.55 H new ATOM 0 HA LEU A 62 3.445 -6.527 -4.245 1.00 0.62 H new ATOM 0 HB2 LEU A 62 2.154 -4.139 -4.244 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.164 -4.982 -3.070 1.00 0.77 H new ATOM 0 HG LEU A 62 3.242 -5.504 -1.763 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.275 -4.191 -2.247 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.875 -5.305 -3.576 1.00 1.71 H new ATOM 0 HD13 LEU A 62 4.513 -3.570 -3.731 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.495 -3.228 -0.849 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.662 -2.568 -2.276 1.00 1.08 H new ATOM 0 HD23 LEU A 62 1.789 -3.633 -1.150 1.00 1.08 H new ATOM 929 N GLU A 63 1.387 -8.511 -4.340 1.00 0.72 N ATOM 930 CA GLU A 63 0.695 -9.679 -3.791 1.00 0.80 C ATOM 931 C GLU A 63 1.705 -10.669 -3.180 1.00 0.95 C ATOM 932 O GLU A 63 2.284 -10.375 -2.135 1.00 1.83 O ATOM 933 CB GLU A 63 -0.172 -10.351 -4.870 1.00 0.86 C ATOM 934 CG GLU A 63 -1.576 -9.773 -4.977 1.00 1.12 C ATOM 935 CD GLU A 63 -1.584 -8.312 -5.378 1.00 1.31 C ATOM 936 OE1 GLU A 63 -1.486 -7.451 -4.481 1.00 1.65 O ATOM 937 OE2 GLU A 63 -1.689 -8.030 -6.590 1.00 1.96 O ATOM 0 H GLU A 63 1.642 -8.595 -5.324 1.00 0.72 H new ATOM 0 HA GLU A 63 0.031 -9.348 -2.992 1.00 0.80 H new ATOM 0 HB2 GLU A 63 0.325 -10.254 -5.835 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -0.243 -11.417 -4.654 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -2.145 -10.348 -5.707 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -2.083 -9.884 -4.019 1.00 1.12 H new ATOM 944 N GLU A 64 1.887 -11.847 -3.805 1.00 1.04 N ATOM 945 CA GLU A 64 2.800 -12.877 -3.291 1.00 1.08 C ATOM 946 C GLU A 64 4.251 -12.390 -3.182 1.00 0.90 C ATOM 947 O GLU A 64 5.083 -12.651 -4.054 1.00 0.96 O ATOM 948 CB GLU A 64 2.728 -14.132 -4.163 1.00 1.28 C ATOM 949 CG GLU A 64 2.188 -15.351 -3.429 1.00 1.53 C ATOM 950 CD GLU A 64 0.887 -15.863 -4.019 1.00 2.14 C ATOM 951 OE1 GLU A 64 -0.183 -15.349 -3.631 1.00 2.93 O ATOM 952 OE2 GLU A 64 0.939 -16.777 -4.870 1.00 2.40 O ATOM 0 H GLU A 64 1.411 -12.107 -4.669 1.00 1.04 H new ATOM 0 HA GLU A 64 2.470 -13.113 -2.279 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.096 -13.929 -5.027 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.724 -14.358 -4.543 1.00 1.28 H new ATOM 0 HG2 GLU A 64 2.933 -16.146 -3.458 1.00 1.53 H new ATOM 0 HG3 GLU A 64 2.032 -15.098 -2.380 1.00 1.53 H new ATOM 959 N VAL A 65 4.532 -11.683 -2.090 1.00 0.80 N ATOM 960 CA VAL A 65 5.870 -11.151 -1.825 1.00 0.64 C ATOM 961 C VAL A 65 6.153 -11.081 -0.332 1.00 0.64 C ATOM 962 O VAL A 65 5.262 -10.773 0.462 1.00 0.70 O ATOM 963 CB VAL A 65 6.067 -9.736 -2.416 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.125 -9.784 -3.936 1.00 0.64 C ATOM 965 CG2 VAL A 65 4.970 -8.788 -1.943 1.00 0.59 C ATOM 0 H VAL A 65 3.846 -11.463 -1.368 1.00 0.80 H new ATOM 0 HA VAL A 65 6.563 -11.841 -2.307 1.00 0.64 H new ATOM 0 HB VAL A 65 7.021 -9.352 -2.055 1.00 0.56 H new ATOM 0 HG11 VAL A 65 6.264 -8.776 -4.327 1.00 0.64 H new ATOM 0 HG12 VAL A 65 6.959 -10.413 -4.249 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.194 -10.198 -4.323 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.133 -7.800 -2.373 1.00 0.59 H new ATOM 0 HG22 VAL A 65 3.999 -9.167 -2.262 1.00 0.59 H new ATOM 0 HG23 VAL A 65 4.993 -8.718 -0.855 1.00 0.59 H new ATOM 975 N THR A 66 7.408 -11.328 0.045 1.00 0.63 N ATOM 976 CA THR A 66 7.805 -11.248 1.445 1.00 0.69 C ATOM 977 C THR A 66 7.691 -9.798 1.906 1.00 0.61 C ATOM 978 O THR A 66 7.666 -8.881 1.076 1.00 0.66 O ATOM 979 CB THR A 66 9.239 -11.765 1.634 1.00 0.74 C ATOM 980 OG1 THR A 66 9.423 -13.002 0.963 1.00 1.53 O ATOM 981 CG2 THR A 66 9.617 -11.974 3.088 1.00 1.17 C ATOM 0 H THR A 66 8.159 -11.583 -0.596 1.00 0.63 H new ATOM 0 HA THR A 66 7.147 -11.875 2.046 1.00 0.69 H new ATOM 0 HB THR A 66 9.879 -10.989 1.215 1.00 0.74 H new ATOM 0 HG1 THR A 66 10.343 -13.312 1.095 1.00 1.53 H new ATOM 0 HG21 THR A 66 10.642 -12.340 3.149 1.00 1.17 H new ATOM 0 HG22 THR A 66 9.537 -11.028 3.624 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.944 -12.704 3.538 1.00 1.17 H new ATOM 989 N HIS A 67 7.591 -9.581 3.214 1.00 0.51 N ATOM 990 CA HIS A 67 7.450 -8.217 3.724 1.00 0.45 C ATOM 991 C HIS A 67 8.540 -7.298 3.169 1.00 0.43 C ATOM 992 O HIS A 67 8.281 -6.125 2.902 1.00 0.41 O ATOM 993 CB HIS A 67 7.401 -8.157 5.256 1.00 0.45 C ATOM 994 CG HIS A 67 7.092 -6.780 5.750 1.00 0.46 C ATOM 995 ND1 HIS A 67 7.859 -5.666 5.837 1.00 0.51 N flip ATOM 996 CD2 HIS A 67 5.831 -6.403 6.149 1.00 0.49 C flip ATOM 997 CE1 HIS A 67 7.050 -4.649 6.275 1.00 0.54 C flip ATOM 998 NE2 HIS A 67 5.834 -5.121 6.451 1.00 0.52 N flip ATOM 0 H HIS A 67 7.604 -10.311 3.927 1.00 0.51 H new ATOM 0 HA HIS A 67 6.486 -7.854 3.367 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.646 -8.852 5.623 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.358 -8.482 5.663 1.00 0.45 H new ATOM 0 HD1 HIS A 67 8.853 -5.597 5.618 1.00 0.51 H new ATOM 0 HD2 HIS A 67 4.973 -7.056 6.206 1.00 0.49 H new ATOM 0 HE1 HIS A 67 7.360 -3.629 6.447 1.00 0.54 H new ATOM 1007 N GLU A 68 9.754 -7.826 2.988 1.00 0.45 N ATOM 1008 CA GLU A 68 10.858 -7.028 2.449 1.00 0.45 C ATOM 1009 C GLU A 68 10.429 -6.320 1.160 1.00 0.42 C ATOM 1010 O GLU A 68 10.645 -5.118 1.007 1.00 0.41 O ATOM 1011 CB GLU A 68 12.094 -7.902 2.192 1.00 0.49 C ATOM 1012 CG GLU A 68 11.835 -9.092 1.278 1.00 1.43 C ATOM 1013 CD GLU A 68 12.854 -10.200 1.458 1.00 2.13 C ATOM 1014 OE1 GLU A 68 13.895 -10.167 0.768 1.00 2.90 O ATOM 1015 OE2 GLU A 68 12.613 -11.102 2.289 1.00 2.59 O ATOM 0 H GLU A 68 9.996 -8.793 3.204 1.00 0.45 H new ATOM 0 HA GLU A 68 11.123 -6.274 3.190 1.00 0.45 H new ATOM 0 HB2 GLU A 68 12.878 -7.284 1.753 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.473 -8.267 3.147 1.00 0.49 H new ATOM 0 HG2 GLU A 68 10.838 -9.486 1.474 1.00 1.43 H new ATOM 0 HG3 GLU A 68 11.847 -8.758 0.241 1.00 1.43 H new ATOM 1022 N GLU A 69 9.805 -7.073 0.247 1.00 0.44 N ATOM 1023 CA GLU A 69 9.328 -6.512 -1.017 1.00 0.43 C ATOM 1024 C GLU A 69 8.251 -5.453 -0.763 1.00 0.41 C ATOM 1025 O GLU A 69 8.160 -4.465 -1.493 1.00 0.41 O ATOM 1026 CB GLU A 69 8.786 -7.612 -1.938 1.00 0.46 C ATOM 1027 CG GLU A 69 9.137 -7.403 -3.404 1.00 0.76 C ATOM 1028 CD GLU A 69 8.451 -6.187 -4.001 1.00 1.07 C ATOM 1029 OE1 GLU A 69 7.222 -6.247 -4.224 1.00 1.70 O ATOM 1030 OE2 GLU A 69 9.141 -5.174 -4.242 1.00 1.84 O ATOM 0 H GLU A 69 9.620 -8.070 0.362 1.00 0.44 H new ATOM 0 HA GLU A 69 10.174 -6.038 -1.514 1.00 0.43 H new ATOM 0 HB2 GLU A 69 9.180 -8.575 -1.612 1.00 0.46 H new ATOM 0 HB3 GLU A 69 7.702 -7.660 -1.835 1.00 0.46 H new ATOM 0 HG2 GLU A 69 10.217 -7.292 -3.503 1.00 0.76 H new ATOM 0 HG3 GLU A 69 8.855 -8.290 -3.971 1.00 0.76 H new ATOM 1037 N ALA A 70 7.451 -5.657 0.290 1.00 0.41 N ATOM 1038 CA ALA A 70 6.399 -4.709 0.659 1.00 0.41 C ATOM 1039 C ALA A 70 6.991 -3.333 0.956 1.00 0.40 C ATOM 1040 O ALA A 70 6.457 -2.309 0.535 1.00 0.42 O ATOM 1041 CB ALA A 70 5.639 -5.218 1.876 1.00 0.44 C ATOM 0 H ALA A 70 7.514 -6.472 0.901 1.00 0.41 H new ATOM 0 HA ALA A 70 5.711 -4.617 -0.181 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.859 -4.505 2.142 1.00 0.44 H new ATOM 0 HB2 ALA A 70 5.186 -6.182 1.645 1.00 0.44 H new ATOM 0 HB3 ALA A 70 6.327 -5.332 2.713 1.00 0.44 H new ATOM 1047 N VAL A 71 8.114 -3.326 1.667 1.00 0.40 N ATOM 1048 CA VAL A 71 8.799 -2.085 2.010 1.00 0.42 C ATOM 1049 C VAL A 71 9.656 -1.583 0.845 1.00 0.41 C ATOM 1050 O VAL A 71 9.779 -0.378 0.638 1.00 0.42 O ATOM 1051 CB VAL A 71 9.678 -2.253 3.272 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.556 -1.029 3.500 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.813 -2.525 4.493 1.00 0.50 C ATOM 0 H VAL A 71 8.570 -4.168 2.018 1.00 0.40 H new ATOM 0 HA VAL A 71 8.027 -1.345 2.222 1.00 0.42 H new ATOM 0 HB VAL A 71 10.333 -3.110 3.112 1.00 0.48 H new ATOM 0 HG11 VAL A 71 11.162 -1.177 4.394 1.00 0.52 H new ATOM 0 HG12 VAL A 71 11.209 -0.884 2.639 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.926 -0.149 3.630 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.449 -2.640 5.371 1.00 0.50 H new ATOM 0 HG22 VAL A 71 8.129 -1.691 4.647 1.00 0.50 H new ATOM 0 HG23 VAL A 71 8.241 -3.439 4.337 1.00 0.50 H new ATOM 1063 N THR A 72 10.244 -2.516 0.090 1.00 0.43 N ATOM 1064 CA THR A 72 11.090 -2.168 -1.051 1.00 0.47 C ATOM 1065 C THR A 72 10.290 -1.453 -2.143 1.00 0.42 C ATOM 1066 O THR A 72 10.798 -0.536 -2.790 1.00 0.44 O ATOM 1067 CB THR A 72 11.753 -3.424 -1.629 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.601 -4.029 -0.667 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.589 -3.152 -2.865 1.00 0.61 C ATOM 0 H THR A 72 10.148 -3.519 0.250 1.00 0.43 H new ATOM 0 HA THR A 72 11.862 -1.487 -0.693 1.00 0.47 H new ATOM 0 HB THR A 72 10.929 -4.081 -1.906 1.00 0.53 H new ATOM 0 HG1 THR A 72 12.057 -4.483 0.009 1.00 0.60 H new ATOM 0 HG21 THR A 72 13.028 -4.085 -3.220 1.00 0.61 H new ATOM 0 HG22 THR A 72 11.957 -2.728 -3.646 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.384 -2.448 -2.619 1.00 0.61 H new ATOM 1077 N ALA A 73 9.043 -1.882 -2.348 1.00 0.37 N ATOM 1078 CA ALA A 73 8.179 -1.289 -3.364 1.00 0.36 C ATOM 1079 C ALA A 73 7.583 0.029 -2.883 1.00 0.34 C ATOM 1080 O ALA A 73 7.434 0.967 -3.669 1.00 0.36 O ATOM 1081 CB ALA A 73 7.071 -2.259 -3.752 1.00 0.41 C ATOM 0 H ALA A 73 8.610 -2.640 -1.821 1.00 0.37 H new ATOM 0 HA ALA A 73 8.790 -1.082 -4.242 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.436 -1.801 -4.510 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.511 -3.173 -4.151 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.472 -2.498 -2.873 1.00 0.41 H new ATOM 1087 N LEU A 74 7.267 0.110 -1.587 1.00 0.33 N ATOM 1088 CA LEU A 74 6.715 1.333 -1.014 1.00 0.37 C ATOM 1089 C LEU A 74 7.802 2.399 -0.906 1.00 0.38 C ATOM 1090 O LEU A 74 7.521 3.597 -0.972 1.00 0.44 O ATOM 1091 CB LEU A 74 6.128 1.056 0.375 1.00 0.41 C ATOM 1092 CG LEU A 74 4.779 0.326 0.400 1.00 0.61 C ATOM 1093 CD1 LEU A 74 3.632 1.322 0.446 1.00 1.73 C ATOM 1094 CD2 LEU A 74 4.629 -0.601 -0.797 1.00 1.13 C ATOM 0 H LEU A 74 7.384 -0.654 -0.921 1.00 0.33 H new ATOM 0 HA LEU A 74 5.921 1.692 -1.669 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.849 0.466 0.941 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.014 2.007 0.896 1.00 0.41 H new ATOM 0 HG LEU A 74 4.749 -0.284 1.303 1.00 0.61 H new ATOM 0 HD11 LEU A 74 2.684 0.785 0.463 1.00 1.73 H new ATOM 0 HD12 LEU A 74 3.718 1.935 1.343 1.00 1.73 H new ATOM 0 HD13 LEU A 74 3.670 1.962 -0.435 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.663 -1.103 -0.750 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.691 -0.020 -1.717 1.00 1.13 H new ATOM 0 HD23 LEU A 74 5.425 -1.345 -0.783 1.00 1.13 H new ATOM 1106 N LYS A 75 9.047 1.946 -0.741 1.00 0.38 N ATOM 1107 CA LYS A 75 10.186 2.856 -0.623 1.00 0.47 C ATOM 1108 C LYS A 75 10.750 3.249 -1.993 1.00 0.49 C ATOM 1109 O LYS A 75 11.447 4.259 -2.106 1.00 0.59 O ATOM 1110 CB LYS A 75 11.289 2.227 0.239 1.00 0.57 C ATOM 1111 CG LYS A 75 12.167 1.228 -0.504 1.00 0.64 C ATOM 1112 CD LYS A 75 13.465 0.957 0.242 1.00 1.05 C ATOM 1113 CE LYS A 75 13.268 -0.056 1.357 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.549 -0.699 1.761 1.00 1.44 N ATOM 0 H LYS A 75 9.290 0.957 -0.686 1.00 0.38 H new ATOM 0 HA LYS A 75 9.825 3.764 -0.140 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.920 3.021 0.639 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.828 1.726 1.091 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.622 0.294 -0.638 1.00 0.64 H new ATOM 0 HG3 LYS A 75 12.392 1.611 -1.499 1.00 0.64 H new ATOM 0 HD2 LYS A 75 14.217 0.589 -0.456 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.847 1.889 0.659 1.00 1.05 H new ATOM 0 HE2 LYS A 75 12.822 0.438 2.221 1.00 0.88 H new ATOM 0 HE3 LYS A 75 12.565 -0.822 1.030 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 14.369 -1.383 2.524 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 14.962 -1.192 0.944 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 15.212 0.029 2.098 1.00 1.44 H new ATOM 1128 N ASN A 76 10.466 2.447 -3.025 1.00 0.48 N ATOM 1129 CA ASN A 76 10.971 2.723 -4.371 1.00 0.59 C ATOM 1130 C ASN A 76 10.211 3.876 -5.040 1.00 0.69 C ATOM 1131 O ASN A 76 9.432 3.670 -5.974 1.00 1.15 O ATOM 1132 CB ASN A 76 10.906 1.464 -5.245 1.00 0.64 C ATOM 1133 CG ASN A 76 11.371 1.722 -6.671 1.00 0.85 C ATOM 1134 OD1 ASN A 76 12.370 2.590 -6.828 1.00 0.90 O flip ATOM 1135 ND2 ASN A 76 10.838 1.147 -7.619 1.00 1.55 N flip ATOM 0 H ASN A 76 9.892 1.607 -2.953 1.00 0.48 H new ATOM 0 HA ASN A 76 12.013 3.027 -4.269 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.524 0.684 -4.800 1.00 0.64 H new ATOM 0 HB3 ASN A 76 9.883 1.089 -5.262 1.00 0.64 H new ATOM 0 HD21 ASN A 76 10.076 0.490 -7.454 1.00 1.55 H new ATOM 0 HD22 ASN A 76 11.158 1.328 -8.570 1.00 1.55 H new ATOM 1142 N THR A 77 10.440 5.087 -4.539 1.00 0.90 N ATOM 1143 CA THR A 77 9.782 6.281 -5.063 1.00 1.07 C ATOM 1144 C THR A 77 10.807 7.356 -5.435 1.00 0.80 C ATOM 1145 O THR A 77 11.767 7.594 -4.697 1.00 1.47 O ATOM 1146 CB THR A 77 8.795 6.824 -4.025 1.00 2.00 C ATOM 1147 OG1 THR A 77 8.302 8.101 -4.403 1.00 2.60 O ATOM 1148 CG2 THR A 77 9.395 6.947 -2.642 1.00 2.53 C ATOM 0 H THR A 77 11.080 5.268 -3.766 1.00 0.90 H new ATOM 0 HA THR A 77 9.239 6.008 -5.968 1.00 1.07 H new ATOM 0 HB THR A 77 7.986 6.094 -3.991 1.00 2.00 H new ATOM 0 HG1 THR A 77 7.673 8.423 -3.724 1.00 2.60 H new ATOM 0 HG21 THR A 77 8.645 7.337 -1.954 1.00 2.53 H new ATOM 0 HG22 THR A 77 9.726 5.966 -2.300 1.00 2.53 H new ATOM 0 HG23 THR A 77 10.247 7.627 -2.674 1.00 2.53 H new ATOM 1156 N SER A 78 10.590 8.003 -6.581 1.00 1.14 N ATOM 1157 CA SER A 78 11.485 9.058 -7.055 1.00 1.74 C ATOM 1158 C SER A 78 10.717 10.368 -7.257 1.00 1.42 C ATOM 1159 O SER A 78 10.732 11.238 -6.386 1.00 1.44 O ATOM 1160 CB SER A 78 12.176 8.626 -8.356 1.00 2.76 C ATOM 1161 OG SER A 78 13.009 9.654 -8.861 1.00 3.36 O ATOM 0 H SER A 78 9.801 7.814 -7.199 1.00 1.14 H new ATOM 0 HA SER A 78 12.251 9.229 -6.298 1.00 1.74 H new ATOM 0 HB2 SER A 78 12.769 7.730 -8.175 1.00 2.76 H new ATOM 0 HB3 SER A 78 11.424 8.365 -9.101 1.00 2.76 H new ATOM 0 HG SER A 78 12.507 10.195 -9.506 1.00 3.36 H new ATOM 1167 N ASP A 79 10.044 10.499 -8.402 1.00 1.32 N ATOM 1168 CA ASP A 79 9.270 11.701 -8.707 1.00 1.18 C ATOM 1169 C ASP A 79 7.797 11.492 -8.361 1.00 0.99 C ATOM 1170 O ASP A 79 7.212 12.272 -7.609 1.00 0.92 O ATOM 1171 CB ASP A 79 9.416 12.071 -10.185 1.00 1.46 C ATOM 1172 CG ASP A 79 10.836 12.467 -10.544 1.00 1.61 C ATOM 1173 OD1 ASP A 79 11.627 11.572 -10.913 1.00 2.07 O ATOM 1174 OD2 ASP A 79 11.159 13.670 -10.454 1.00 2.23 O ATOM 0 H ASP A 79 10.020 9.787 -9.132 1.00 1.32 H new ATOM 0 HA ASP A 79 9.658 12.520 -8.101 1.00 1.18 H new ATOM 0 HB2 ASP A 79 9.111 11.225 -10.801 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.742 12.895 -10.419 1.00 1.46 H new ATOM 1179 N PHE A 80 7.207 10.430 -8.912 1.00 0.97 N ATOM 1180 CA PHE A 80 5.806 10.105 -8.661 1.00 0.85 C ATOM 1181 C PHE A 80 5.661 8.652 -8.217 1.00 0.82 C ATOM 1182 O PHE A 80 6.604 7.865 -8.333 1.00 0.92 O ATOM 1183 CB PHE A 80 4.964 10.362 -9.913 1.00 0.92 C ATOM 1184 CG PHE A 80 3.881 11.378 -9.696 1.00 0.94 C ATOM 1185 CD1 PHE A 80 4.134 12.727 -9.881 1.00 1.68 C ATOM 1186 CD2 PHE A 80 2.616 10.985 -9.293 1.00 1.39 C ATOM 1187 CE1 PHE A 80 3.144 13.665 -9.670 1.00 1.77 C ATOM 1188 CE2 PHE A 80 1.622 11.919 -9.082 1.00 1.43 C ATOM 1189 CZ PHE A 80 1.887 13.261 -9.268 1.00 1.14 C ATOM 0 H PHE A 80 7.682 9.779 -9.537 1.00 0.97 H new ATOM 0 HA PHE A 80 5.445 10.749 -7.859 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.616 10.701 -10.718 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.514 9.424 -10.240 1.00 0.92 H new ATOM 0 HD1 PHE A 80 5.117 13.048 -10.194 1.00 1.68 H new ATOM 0 HD2 PHE A 80 2.405 9.937 -9.142 1.00 1.39 H new ATOM 0 HE1 PHE A 80 3.353 14.714 -9.819 1.00 1.77 H new ATOM 0 HE2 PHE A 80 0.638 11.600 -8.772 1.00 1.43 H new ATOM 0 HZ PHE A 80 1.112 13.994 -9.099 1.00 1.14 H new ATOM 1199 N VAL A 81 4.478 8.294 -7.718 1.00 0.75 N ATOM 1200 CA VAL A 81 4.211 6.932 -7.271 1.00 0.77 C ATOM 1201 C VAL A 81 2.784 6.527 -7.645 1.00 0.65 C ATOM 1202 O VAL A 81 1.820 7.161 -7.208 1.00 0.59 O ATOM 1203 CB VAL A 81 4.409 6.799 -5.738 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.532 5.698 -5.152 1.00 1.19 C ATOM 1205 CG2 VAL A 81 5.873 6.545 -5.412 1.00 1.58 C ATOM 0 H VAL A 81 3.689 8.932 -7.614 1.00 0.75 H new ATOM 0 HA VAL A 81 4.918 6.268 -7.768 1.00 0.77 H new ATOM 0 HB VAL A 81 4.105 7.741 -5.281 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.698 5.634 -4.077 1.00 1.19 H new ATOM 0 HG12 VAL A 81 2.484 5.927 -5.345 1.00 1.19 H new ATOM 0 HG13 VAL A 81 3.787 4.745 -5.615 1.00 1.19 H new ATOM 0 HG21 VAL A 81 5.995 6.454 -4.333 1.00 1.58 H new ATOM 0 HG22 VAL A 81 6.198 5.622 -5.893 1.00 1.58 H new ATOM 0 HG23 VAL A 81 6.476 7.376 -5.777 1.00 1.58 H new ATOM 1215 N TYR A 82 2.651 5.472 -8.448 1.00 0.72 N ATOM 1216 CA TYR A 82 1.334 4.998 -8.862 1.00 0.69 C ATOM 1217 C TYR A 82 0.874 3.856 -7.962 1.00 0.67 C ATOM 1218 O TYR A 82 1.290 2.706 -8.128 1.00 0.77 O ATOM 1219 CB TYR A 82 1.365 4.548 -10.322 1.00 0.85 C ATOM 1220 CG TYR A 82 -0.001 4.355 -10.940 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.648 3.130 -10.856 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.639 5.389 -11.614 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.889 2.940 -11.424 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.884 5.207 -12.183 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.505 3.980 -12.085 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.746 3.792 -12.652 1.00 1.58 O ATOM 0 H TYR A 82 3.433 4.934 -8.821 1.00 0.72 H new ATOM 0 HA TYR A 82 0.624 5.820 -8.769 1.00 0.69 H new ATOM 0 HB2 TYR A 82 1.915 5.286 -10.906 1.00 0.85 H new ATOM 0 HB3 TYR A 82 1.918 3.611 -10.390 1.00 0.85 H new ATOM 0 HD1 TYR A 82 -0.171 2.312 -10.337 1.00 1.57 H new ATOM 0 HD2 TYR A 82 -0.153 6.350 -11.694 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -2.377 1.979 -11.351 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -2.368 6.021 -12.702 1.00 1.55 H new ATOM 0 HH TYR A 82 -4.040 4.624 -13.079 1.00 1.58 H new ATOM 1236 N LEU A 83 0.035 4.198 -6.992 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.473 3.228 -6.028 1.00 0.65 C ATOM 1238 C LEU A 83 -1.715 2.506 -6.551 1.00 0.66 C ATOM 1239 O LEU A 83 -2.687 3.139 -6.965 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.789 3.926 -4.703 1.00 0.74 C ATOM 1241 CG LEU A 83 -0.761 3.021 -3.471 1.00 0.74 C ATOM 1242 CD1 LEU A 83 -0.438 3.828 -2.222 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -2.090 2.299 -3.315 1.00 1.38 C ATOM 0 H LEU A 83 -0.311 5.147 -6.851 1.00 0.62 H new ATOM 0 HA LEU A 83 0.302 2.478 -5.869 1.00 0.65 H new ATOM 0 HB2 LEU A 83 -0.074 4.735 -4.557 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.776 4.383 -4.777 1.00 0.74 H new ATOM 0 HG LEU A 83 0.022 2.275 -3.606 1.00 0.74 H new ATOM 0 HD11 LEU A 83 -0.423 3.167 -1.356 1.00 1.34 H new ATOM 0 HD12 LEU A 83 0.538 4.300 -2.336 1.00 1.34 H new ATOM 0 HD13 LEU A 83 -1.198 4.596 -2.079 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -2.055 1.658 -2.434 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -2.890 3.030 -3.200 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -2.279 1.690 -4.199 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.668 1.173 -6.514 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.780 0.339 -6.965 1.00 0.68 C ATOM 1257 C LYS A 84 -3.323 -0.493 -5.812 1.00 0.65 C ATOM 1258 O LYS A 84 -2.580 -1.248 -5.188 1.00 0.68 O ATOM 1259 CB LYS A 84 -2.339 -0.578 -8.108 1.00 0.69 C ATOM 1260 CG LYS A 84 -2.391 0.084 -9.476 1.00 0.76 C ATOM 1261 CD LYS A 84 -3.823 0.292 -9.946 1.00 0.99 C ATOM 1262 CE LYS A 84 -4.486 -1.024 -10.325 1.00 1.18 C ATOM 1263 NZ LYS A 84 -5.596 -0.829 -11.298 1.00 1.56 N ATOM 0 H LYS A 84 -0.864 0.646 -6.173 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.570 0.995 -7.329 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.321 -0.918 -7.917 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.975 -1.463 -8.118 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -1.878 1.045 -9.435 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -1.856 -0.532 -10.199 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -4.399 0.776 -9.157 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -3.831 0.964 -10.804 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -3.742 -1.695 -10.754 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -4.871 -1.508 -9.427 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -6.020 -1.750 -11.530 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -6.319 -0.210 -10.880 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -5.225 -0.391 -12.165 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.616 -0.342 -5.523 1.00 0.76 N ATOM 1278 CA VAL A 85 -5.250 -1.076 -4.433 1.00 0.74 C ATOM 1279 C VAL A 85 -6.306 -2.044 -4.966 1.00 0.91 C ATOM 1280 O VAL A 85 -7.145 -1.669 -5.789 1.00 1.17 O ATOM 1281 CB VAL A 85 -5.907 -0.110 -3.418 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -6.587 -0.871 -2.286 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -4.878 0.865 -2.863 1.00 0.65 C ATOM 0 H VAL A 85 -5.243 0.283 -6.030 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.468 -1.643 -3.928 1.00 0.74 H new ATOM 0 HB VAL A 85 -6.674 0.456 -3.947 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -7.038 -0.163 -1.591 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -7.361 -1.519 -2.697 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -5.849 -1.476 -1.759 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -5.359 1.536 -2.151 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -4.085 0.311 -2.360 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -4.451 1.448 -3.679 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.258 -3.289 -4.491 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.208 -4.316 -4.917 1.00 1.24 C ATOM 1295 C ALA A 86 -8.482 -4.281 -4.075 1.00 1.27 C ATOM 1296 O ALA A 86 -8.468 -3.823 -2.931 1.00 1.09 O ATOM 1297 CB ALA A 86 -6.565 -5.695 -4.843 1.00 1.46 C ATOM 0 H ALA A 86 -5.570 -3.611 -3.810 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.484 -4.107 -5.951 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -7.284 -6.449 -5.163 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -5.693 -5.725 -5.496 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.258 -5.899 -3.817 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.580 -4.771 -4.649 1.00 1.68 N ATOM 1304 CA LYS A 87 -10.864 -4.802 -3.950 1.00 1.86 C ATOM 1305 C LYS A 87 -11.216 -6.228 -3.520 1.00 1.91 C ATOM 1306 O LYS A 87 -11.175 -7.158 -4.329 1.00 2.04 O ATOM 1307 CB LYS A 87 -11.977 -4.222 -4.834 1.00 2.22 C ATOM 1308 CG LYS A 87 -12.138 -4.922 -6.177 1.00 2.53 C ATOM 1309 CD LYS A 87 -13.604 -5.143 -6.521 1.00 2.89 C ATOM 1310 CE LYS A 87 -14.187 -6.325 -5.757 1.00 3.28 C ATOM 1311 NZ LYS A 87 -15.673 -6.259 -5.681 1.00 4.20 N ATOM 0 H LYS A 87 -9.606 -5.151 -5.595 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.775 -4.185 -3.056 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -12.921 -4.278 -4.293 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -11.772 -3.166 -5.010 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -11.666 -4.325 -6.958 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -11.621 -5.881 -6.152 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -14.173 -4.243 -6.289 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -13.705 -5.316 -7.592 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -13.889 -7.254 -6.243 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -13.773 -6.346 -4.749 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -16.030 -7.081 -5.153 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -15.957 -5.385 -5.194 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -16.070 -6.265 -6.642 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.559 -6.423 -2.230 1.00 1.88 N ATOM 1326 CA PRO A 88 -11.910 -7.744 -1.693 1.00 2.01 C ATOM 1327 C PRO A 88 -13.239 -8.269 -2.232 1.00 2.20 C ATOM 1328 O PRO A 88 -14.125 -7.492 -2.596 1.00 2.28 O ATOM 1329 CB PRO A 88 -12.001 -7.511 -0.183 1.00 1.98 C ATOM 1330 CG PRO A 88 -12.271 -6.054 -0.025 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.623 -5.369 -1.197 1.00 1.79 C ATOM 0 HA PRO A 88 -11.175 -8.497 -1.978 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.798 -8.109 0.260 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -11.074 -7.796 0.315 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -13.343 -5.858 -0.006 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.862 -5.684 0.915 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -12.208 -4.514 -1.534 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.631 -4.996 -0.944 1.00 1.79 H new ATOM 1339 N THR A 89 -13.365 -9.596 -2.278 1.00 2.38 N ATOM 1340 CA THR A 89 -14.580 -10.244 -2.769 1.00 2.59 C ATOM 1341 C THR A 89 -15.054 -11.318 -1.790 1.00 2.77 C ATOM 1342 O THR A 89 -14.247 -12.070 -1.242 1.00 3.51 O ATOM 1343 CB THR A 89 -14.334 -10.866 -4.147 1.00 3.08 C ATOM 1344 OG1 THR A 89 -13.731 -9.929 -5.023 1.00 3.51 O ATOM 1345 CG2 THR A 89 -15.598 -11.367 -4.815 1.00 3.88 C ATOM 0 H THR A 89 -12.637 -10.245 -1.980 1.00 2.38 H new ATOM 0 HA THR A 89 -15.357 -9.485 -2.856 1.00 2.59 H new ATOM 0 HB THR A 89 -13.677 -11.716 -3.963 1.00 3.08 H new ATOM 0 HG1 THR A 89 -13.581 -10.347 -5.897 1.00 3.51 H new ATOM 0 HG21 THR A 89 -15.351 -11.795 -5.787 1.00 3.88 H new ATOM 0 HG22 THR A 89 -16.062 -12.130 -4.190 1.00 3.88 H new ATOM 0 HG23 THR A 89 -16.292 -10.537 -4.950 1.00 3.88 H new ATOM 1353 N GLY A 90 -16.370 -11.379 -1.575 1.00 2.75 N ATOM 1354 CA GLY A 90 -16.934 -12.361 -0.663 1.00 3.54 C ATOM 1355 C GLY A 90 -16.860 -13.776 -1.209 1.00 4.20 C ATOM 1356 O GLY A 90 -17.614 -14.137 -2.114 1.00 4.69 O ATOM 0 H GLY A 90 -17.054 -10.765 -2.017 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -16.404 -12.314 0.288 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -17.975 -12.108 -0.461 1.00 3.54 H new ATOM 1360 N SER A 91 -15.948 -14.578 -0.655 1.00 4.69 N ATOM 1361 CA SER A 91 -15.774 -15.964 -1.088 1.00 5.64 C ATOM 1362 C SER A 91 -16.939 -16.834 -0.616 1.00 5.73 C ATOM 1363 O SER A 91 -17.604 -17.485 -1.425 1.00 6.47 O ATOM 1364 CB SER A 91 -14.451 -16.527 -0.561 1.00 6.57 C ATOM 1365 OG SER A 91 -14.011 -17.623 -1.345 1.00 7.06 O ATOM 0 H SER A 91 -15.319 -14.290 0.095 1.00 4.69 H new ATOM 0 HA SER A 91 -15.754 -15.977 -2.178 1.00 5.64 H new ATOM 0 HB2 SER A 91 -13.692 -15.745 -0.567 1.00 6.57 H new ATOM 0 HB3 SER A 91 -14.575 -16.844 0.475 1.00 6.57 H new ATOM 0 HG SER A 91 -13.164 -17.962 -0.987 1.00 7.06 H new ATOM 1371 N HIS A 92 -17.186 -16.837 0.696 1.00 5.26 N ATOM 1372 CA HIS A 92 -18.275 -17.621 1.276 1.00 5.60 C ATOM 1373 C HIS A 92 -19.480 -16.736 1.579 1.00 5.37 C ATOM 1374 O HIS A 92 -20.604 -17.042 1.180 1.00 5.46 O ATOM 1375 CB HIS A 92 -17.812 -18.336 2.553 1.00 5.86 C ATOM 1376 CG HIS A 92 -17.164 -17.433 3.561 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -15.930 -17.694 4.122 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -17.584 -16.268 4.112 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -15.621 -16.730 4.972 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -16.608 -15.855 4.983 1.00 7.84 N ATOM 0 H HIS A 92 -16.645 -16.304 1.376 1.00 5.26 H new ATOM 0 HA HIS A 92 -18.571 -18.372 0.544 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -18.671 -18.822 3.016 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -17.109 -19.123 2.281 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -18.514 -15.760 3.904 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -14.715 -16.669 5.557 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -16.640 -15.007 5.549 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 2.964 -12.685 11.468 1.00 1.88 N ATOM 1391 CA ARG B 301 2.530 -11.281 11.226 1.00 1.27 C ATOM 1392 C ARG B 301 3.658 -10.293 11.522 1.00 1.29 C ATOM 1393 O ARG B 301 4.361 -10.422 12.526 1.00 2.06 O ATOM 1394 CB ARG B 301 1.318 -10.975 12.113 1.00 1.61 C ATOM 1395 CG ARG B 301 0.063 -11.741 11.722 1.00 2.13 C ATOM 1396 CD ARG B 301 -0.402 -12.659 12.842 1.00 2.72 C ATOM 1397 NE ARG B 301 -1.675 -13.309 12.528 1.00 3.09 N ATOM 1398 CZ ARG B 301 -1.791 -14.431 11.812 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -0.710 -15.038 11.323 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -2.992 -14.951 11.583 1.00 4.22 N ATOM 0 HA ARG B 301 2.262 -11.172 10.175 1.00 1.27 H new ATOM 0 HB2 ARG B 301 1.568 -11.209 13.148 1.00 1.61 H new ATOM 0 HB3 ARG B 301 1.108 -9.906 12.070 1.00 1.61 H new ATOM 0 HG2 ARG B 301 -0.731 -11.037 11.474 1.00 2.13 H new ATOM 0 HG3 ARG B 301 0.259 -12.329 10.826 1.00 2.13 H new ATOM 0 HD2 ARG B 301 0.357 -13.419 13.026 1.00 2.72 H new ATOM 0 HD3 ARG B 301 -0.506 -12.084 13.762 1.00 2.72 H new ATOM 0 HE ARG B 301 -2.530 -12.877 12.879 1.00 3.09 H new ATOM 0 HH11 ARG B 301 0.216 -14.646 11.494 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -0.809 -15.894 10.778 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -3.825 -14.494 11.954 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -3.081 -15.808 11.036 1.00 4.22 H new ATOM 1416 N ARG B 302 3.822 -9.308 10.639 1.00 1.12 N ATOM 1417 CA ARG B 302 4.861 -8.293 10.797 1.00 1.03 C ATOM 1418 C ARG B 302 4.457 -6.991 10.111 1.00 1.02 C ATOM 1419 O ARG B 302 4.010 -6.996 8.962 1.00 1.45 O ATOM 1420 CB ARG B 302 6.191 -8.794 10.228 1.00 1.13 C ATOM 1421 CG ARG B 302 7.403 -8.035 10.748 1.00 1.12 C ATOM 1422 CD ARG B 302 8.702 -8.757 10.420 1.00 1.50 C ATOM 1423 NE ARG B 302 8.905 -9.938 11.264 1.00 2.09 N ATOM 1424 CZ ARG B 302 9.989 -10.154 12.019 1.00 2.72 C ATOM 1425 NH1 ARG B 302 10.993 -9.278 12.045 1.00 2.99 N ATOM 1426 NH2 ARG B 302 10.071 -11.259 12.752 1.00 3.57 N ATOM 0 H ARG B 302 3.246 -9.192 9.805 1.00 1.12 H new ATOM 0 HA ARG B 302 4.984 -8.099 11.863 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.304 -9.851 10.469 1.00 1.13 H new ATOM 0 HB3 ARG B 302 6.163 -8.716 9.141 1.00 1.13 H new ATOM 0 HG2 ARG B 302 7.422 -7.036 10.312 1.00 1.12 H new ATOM 0 HG3 ARG B 302 7.319 -7.910 11.828 1.00 1.12 H new ATOM 0 HD2 ARG B 302 8.694 -9.058 9.372 1.00 1.50 H new ATOM 0 HD3 ARG B 302 9.540 -8.072 10.549 1.00 1.50 H new ATOM 0 HE ARG B 302 8.169 -10.644 11.277 1.00 2.09 H new ATOM 0 HH11 ARG B 302 10.942 -8.428 11.484 1.00 2.99 H new ATOM 0 HH12 ARG B 302 11.812 -9.458 12.626 1.00 2.99 H new ATOM 0 HH21 ARG B 302 9.310 -11.938 12.738 1.00 3.57 H new ATOM 0 HH22 ARG B 302 10.895 -11.428 13.329 1.00 3.57 H new ATOM 1440 N GLU B 303 4.615 -5.879 10.827 1.00 0.69 N ATOM 1441 CA GLU B 303 4.264 -4.562 10.298 1.00 0.66 C ATOM 1442 C GLU B 303 5.450 -3.604 10.394 1.00 0.71 C ATOM 1443 O GLU B 303 6.128 -3.545 11.421 1.00 1.16 O ATOM 1444 CB GLU B 303 3.062 -3.994 11.060 1.00 0.71 C ATOM 1445 CG GLU B 303 1.897 -4.970 11.175 1.00 1.12 C ATOM 1446 CD GLU B 303 0.913 -4.583 12.263 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.253 -4.737 13.454 1.00 1.99 O ATOM 1448 OE2 GLU B 303 -0.200 -4.131 11.922 1.00 2.08 O ATOM 0 H GLU B 303 4.985 -5.864 11.777 1.00 0.69 H new ATOM 0 HA GLU B 303 3.999 -4.673 9.246 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.381 -3.703 12.061 1.00 0.71 H new ATOM 0 HB3 GLU B 303 2.719 -3.089 10.559 1.00 0.71 H new ATOM 0 HG2 GLU B 303 1.375 -5.020 10.220 1.00 1.12 H new ATOM 0 HG3 GLU B 303 2.284 -5.968 11.379 1.00 1.12 H new ATOM 1455 N THR B 304 5.697 -2.858 9.315 1.00 0.55 N ATOM 1456 CA THR B 304 6.806 -1.906 9.277 1.00 0.55 C ATOM 1457 C THR B 304 6.421 -0.635 8.512 1.00 0.53 C ATOM 1458 O THR B 304 5.614 -0.678 7.582 1.00 0.54 O ATOM 1459 CB THR B 304 8.042 -2.570 8.650 1.00 0.55 C ATOM 1460 OG1 THR B 304 8.912 -3.052 9.658 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.852 -1.658 7.750 1.00 0.56 C ATOM 0 H THR B 304 5.145 -2.896 8.458 1.00 0.55 H new ATOM 0 HA THR B 304 7.044 -1.612 10.299 1.00 0.55 H new ATOM 0 HB THR B 304 7.641 -3.377 8.037 1.00 0.55 H new ATOM 0 HG1 THR B 304 9.693 -3.473 9.242 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.705 -2.206 7.350 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.227 -1.309 6.928 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.207 -0.802 8.324 1.00 0.56 H new ATOM 1469 N GLN B 305 7.009 0.495 8.917 1.00 0.58 N ATOM 1470 CA GLN B 305 6.735 1.784 8.281 1.00 0.60 C ATOM 1471 C GLN B 305 7.509 1.936 6.971 1.00 0.58 C ATOM 1472 O GLN B 305 8.592 1.370 6.807 1.00 0.74 O ATOM 1473 CB GLN B 305 7.089 2.932 9.230 1.00 0.76 C ATOM 1474 CG GLN B 305 6.104 3.098 10.378 1.00 0.89 C ATOM 1475 CD GLN B 305 6.759 3.626 11.641 1.00 1.13 C ATOM 1476 OE1 GLN B 305 6.506 4.892 11.957 1.00 1.67 O flip ATOM 1477 NE2 GLN B 305 7.484 2.904 12.326 1.00 1.50 N flip ATOM 0 H GLN B 305 7.679 0.541 9.685 1.00 0.58 H new ATOM 0 HA GLN B 305 5.670 1.820 8.053 1.00 0.60 H new ATOM 0 HB2 GLN B 305 8.085 2.761 9.639 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.133 3.861 8.662 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.309 3.779 10.074 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.636 2.137 10.591 1.00 0.89 H new ATOM 0 HE21 GLN B 305 7.652 1.937 12.047 1.00 1.50 H new ATOM 0 HE22 GLN B 305 7.917 3.272 13.173 1.00 1.50 H new ATOM 1486 N VAL B 306 6.940 2.705 6.042 1.00 0.58 N ATOM 1487 CA VAL B 306 7.563 2.941 4.740 1.00 0.63 C ATOM 1488 C VAL B 306 7.406 4.397 4.296 1.00 0.77 C ATOM 1489 O VAL B 306 8.395 4.965 3.788 1.00 1.47 O ATOM 1490 CB VAL B 306 6.976 2.012 3.655 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.407 0.575 3.896 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.456 2.118 3.608 1.00 0.49 C ATOM 1493 OXT VAL B 306 6.298 4.955 4.456 1.00 1.14 O ATOM 0 H VAL B 306 6.045 3.177 6.169 1.00 0.58 H new ATOM 0 HA VAL B 306 8.624 2.721 4.860 1.00 0.63 H new ATOM 0 HB VAL B 306 7.364 2.332 2.688 1.00 0.54 H new ATOM 0 HG11 VAL B 306 6.985 -0.066 3.122 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.495 0.511 3.866 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.051 0.247 4.873 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.069 1.454 2.836 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.041 1.832 4.574 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.170 3.145 3.380 1.00 0.49 H new TER 1503 VAL B 306