USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 853 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 8 LYS NZ :NH3+ -160:sc= -0.0179 (180deg=-0.246) USER MOD Set 1.2: A 12 GLN : amide:sc=-0.00241 K(o=-0.02,f=-1.4!) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc=-0.00174 (180deg=-0.315) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -0.991 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -0.0779 (180deg=-0.214) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= -0.9 (180deg=-2.42!) USER MOD Single : A 43 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.029) USER MOD Single : A 44 SER OG : rot -38:sc= -0.15 USER MOD Single : A 46 SER OG : rot 113:sc= -0.907! USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.122 (180deg=-0.68) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 67 SER OG : rot 64:sc= 1.06 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 76 THR OG1 : rot -55:sc= -1.38! USER MOD Single : A 78 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= 1.18 (180deg=-1.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -5.09! K(o=-5.1!,f=-1.4) USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= -3.16! (180deg=-5.78!) USER MOD Single : A 90 SER OG : rot 102:sc= 0.424 USER MOD Single : A 93 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.3!) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.236) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -172:sc= 0.039 USER MOD Single : A 102 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.8) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.96 USER MOD Single : B 11 SER OG : rot -32:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.120 -1.723 8.993 1.00 0.24 N ATOM 21 CA VAL A 2 -2.848 -1.663 8.210 1.00 0.19 C ATOM 22 C VAL A 2 -2.063 -2.963 8.409 1.00 0.22 C ATOM 23 O VAL A 2 -2.328 -3.728 9.314 1.00 0.28 O ATOM 24 CB VAL A 2 -2.007 -0.483 8.710 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.658 -0.464 7.983 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.752 0.828 8.440 1.00 0.30 C ATOM 0 HA VAL A 2 -3.075 -1.534 7.152 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.837 -0.591 9.781 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.063 0.376 8.341 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.126 -1.395 8.179 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.824 -0.360 6.911 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.153 1.667 8.796 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.925 0.934 7.369 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.708 0.817 8.963 1.00 0.30 H new ATOM 36 N LYS A 3 -1.088 -3.212 7.573 1.00 0.18 N ATOM 37 CA LYS A 3 -0.271 -4.456 7.714 1.00 0.22 C ATOM 38 C LYS A 3 1.112 -4.184 7.121 1.00 0.16 C ATOM 39 O LYS A 3 1.245 -3.836 5.964 1.00 0.13 O ATOM 40 CB LYS A 3 -0.954 -5.622 6.966 1.00 0.26 C ATOM 41 CG LYS A 3 -0.478 -6.989 7.508 1.00 0.34 C ATOM 42 CD LYS A 3 0.826 -7.417 6.827 1.00 0.81 C ATOM 43 CE LYS A 3 1.255 -8.783 7.368 1.00 1.37 C ATOM 44 NZ LYS A 3 1.674 -8.641 8.791 1.00 1.97 N ATOM 0 H LYS A 3 -0.821 -2.606 6.797 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.179 -4.733 8.764 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -2.036 -5.542 7.073 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.733 -5.553 5.901 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.328 -6.926 8.586 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -1.248 -7.742 7.337 1.00 0.34 H new ATOM 0 HD2 LYS A 3 0.686 -7.468 5.747 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.606 -6.678 7.012 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.432 -9.493 7.289 1.00 1.37 H new ATOM 0 HE3 LYS A 3 2.077 -9.181 6.773 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 2.227 -9.475 9.075 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 2.257 -7.786 8.898 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.831 -8.562 9.395 1.00 1.97 H new ATOM 58 N GLN A 4 2.142 -4.322 7.911 1.00 0.18 N ATOM 59 CA GLN A 4 3.520 -4.052 7.404 1.00 0.15 C ATOM 60 C GLN A 4 4.116 -5.322 6.790 1.00 0.13 C ATOM 61 O GLN A 4 3.985 -6.409 7.316 1.00 0.14 O ATOM 62 CB GLN A 4 4.395 -3.575 8.572 1.00 0.20 C ATOM 63 CG GLN A 4 5.882 -3.606 8.178 1.00 0.21 C ATOM 64 CD GLN A 4 6.682 -2.691 9.109 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.229 -2.351 10.184 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.863 -2.274 8.737 1.00 0.98 N ATOM 0 H GLN A 4 2.090 -4.611 8.888 1.00 0.18 H new ATOM 0 HA GLN A 4 3.480 -3.282 6.634 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.109 -2.563 8.858 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.230 -4.211 9.442 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.263 -4.625 8.239 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.001 -3.282 7.144 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.244 -2.559 7.835 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.404 -1.663 9.349 1.00 0.98 H new ATOM 75 N ILE A 5 4.787 -5.170 5.679 1.00 0.10 N ATOM 76 CA ILE A 5 5.431 -6.331 4.995 1.00 0.10 C ATOM 77 C ILE A 5 6.945 -6.207 5.167 1.00 0.10 C ATOM 78 O ILE A 5 7.571 -5.352 4.572 1.00 0.11 O ATOM 79 CB ILE A 5 5.110 -6.281 3.499 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.616 -5.962 3.259 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.491 -7.606 2.837 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.690 -6.925 4.018 1.00 0.19 C ATOM 0 H ILE A 5 4.918 -4.275 5.208 1.00 0.10 H new ATOM 0 HA ILE A 5 5.065 -7.265 5.421 1.00 0.10 H new ATOM 0 HB ILE A 5 5.697 -5.480 3.049 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.409 -4.939 3.572 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.401 -6.018 2.192 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.259 -7.561 1.773 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.558 -7.785 2.968 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.928 -8.418 3.297 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.651 -6.663 3.820 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.876 -7.946 3.686 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.885 -6.850 5.088 1.00 0.19 H new ATOM 94 N GLU A 6 7.541 -7.041 5.971 1.00 0.11 N ATOM 95 CA GLU A 6 9.018 -6.959 6.177 1.00 0.14 C ATOM 96 C GLU A 6 9.711 -8.035 5.338 1.00 0.14 C ATOM 97 O GLU A 6 10.922 -8.064 5.230 1.00 0.17 O ATOM 98 CB GLU A 6 9.326 -7.187 7.653 1.00 0.18 C ATOM 99 CG GLU A 6 8.405 -6.317 8.508 1.00 0.31 C ATOM 100 CD GLU A 6 8.823 -6.421 9.976 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.012 -6.351 10.239 1.00 1.97 O ATOM 102 OE2 GLU A 6 7.947 -6.569 10.812 1.00 1.96 O ATOM 0 H GLU A 6 7.071 -7.778 6.496 1.00 0.11 H new ATOM 0 HA GLU A 6 9.380 -5.977 5.872 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.188 -8.238 7.906 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.368 -6.944 7.859 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.456 -5.280 8.177 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.370 -6.639 8.390 1.00 0.31 H new ATOM 109 N SER A 7 8.957 -8.920 4.737 1.00 0.13 N ATOM 110 CA SER A 7 9.581 -9.989 3.902 1.00 0.15 C ATOM 111 C SER A 7 8.595 -10.462 2.832 1.00 0.14 C ATOM 112 O SER A 7 7.396 -10.314 2.963 1.00 0.12 O ATOM 113 CB SER A 7 9.973 -11.165 4.792 1.00 0.20 C ATOM 114 OG SER A 7 8.898 -11.470 5.670 1.00 0.23 O ATOM 0 H SER A 7 7.939 -8.948 4.788 1.00 0.13 H new ATOM 0 HA SER A 7 10.469 -9.588 3.414 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.215 -12.034 4.180 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.867 -10.920 5.365 1.00 0.20 H new ATOM 0 HG SER A 7 9.147 -12.226 6.241 1.00 0.23 H new ATOM 120 N LYS A 8 9.100 -11.029 1.772 1.00 0.15 N ATOM 121 CA LYS A 8 8.214 -11.519 0.678 1.00 0.14 C ATOM 122 C LYS A 8 7.130 -12.442 1.247 1.00 0.14 C ATOM 123 O LYS A 8 6.026 -12.499 0.747 1.00 0.13 O ATOM 124 CB LYS A 8 9.060 -12.291 -0.339 1.00 0.17 C ATOM 125 CG LYS A 8 8.275 -12.471 -1.638 1.00 0.21 C ATOM 126 CD LYS A 8 9.172 -13.129 -2.688 1.00 0.22 C ATOM 127 CE LYS A 8 8.317 -13.626 -3.855 1.00 1.06 C ATOM 128 NZ LYS A 8 7.575 -14.850 -3.443 1.00 1.90 N ATOM 0 H LYS A 8 10.097 -11.175 1.615 1.00 0.15 H new ATOM 0 HA LYS A 8 7.733 -10.668 0.195 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.988 -11.754 -0.536 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.335 -13.264 0.068 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.393 -13.086 -1.460 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.922 -11.505 -1.999 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.914 -12.415 -3.046 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.718 -13.961 -2.244 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.616 -12.850 -4.163 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.949 -13.844 -4.716 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.274 -15.375 -4.289 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.194 -15.453 -2.864 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.739 -14.578 -2.888 1.00 1.90 H new ATOM 142 N THR A 9 7.442 -13.175 2.282 1.00 0.16 N ATOM 143 CA THR A 9 6.434 -14.103 2.873 1.00 0.18 C ATOM 144 C THR A 9 5.207 -13.324 3.357 1.00 0.16 C ATOM 145 O THR A 9 4.082 -13.745 3.177 1.00 0.17 O ATOM 146 CB THR A 9 7.059 -14.847 4.049 1.00 0.21 C ATOM 147 OG1 THR A 9 8.353 -15.306 3.686 1.00 0.24 O ATOM 148 CG2 THR A 9 6.180 -16.038 4.434 1.00 0.25 C ATOM 0 H THR A 9 8.351 -13.171 2.744 1.00 0.16 H new ATOM 0 HA THR A 9 6.120 -14.814 2.109 1.00 0.18 H new ATOM 0 HB THR A 9 7.140 -14.172 4.901 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.755 -15.782 4.442 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.631 -16.566 5.274 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.189 -15.682 4.718 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.093 -16.715 3.585 1.00 0.25 H new ATOM 156 N ALA A 10 5.416 -12.200 3.979 1.00 0.16 N ATOM 157 CA ALA A 10 4.263 -11.400 4.488 1.00 0.17 C ATOM 158 C ALA A 10 3.472 -10.815 3.310 1.00 0.15 C ATOM 159 O ALA A 10 2.287 -10.567 3.415 1.00 0.17 O ATOM 160 CB ALA A 10 4.792 -10.269 5.381 1.00 0.20 C ATOM 0 H ALA A 10 6.336 -11.797 4.159 1.00 0.16 H new ATOM 0 HA ALA A 10 3.600 -12.041 5.069 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.955 -9.680 5.757 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.342 -10.695 6.220 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.456 -9.628 4.801 1.00 0.20 H new ATOM 166 N PHE A 11 4.111 -10.592 2.194 1.00 0.12 N ATOM 167 CA PHE A 11 3.378 -10.021 1.027 1.00 0.11 C ATOM 168 C PHE A 11 2.245 -10.958 0.616 1.00 0.13 C ATOM 169 O PHE A 11 1.085 -10.639 0.758 1.00 0.16 O ATOM 170 CB PHE A 11 4.338 -9.838 -0.153 1.00 0.10 C ATOM 171 CG PHE A 11 3.598 -9.198 -1.309 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.168 -7.860 -1.212 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.348 -9.933 -2.485 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.488 -7.257 -2.288 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.667 -9.330 -3.561 1.00 0.18 C ATOM 176 CZ PHE A 11 2.238 -7.992 -3.463 1.00 0.21 C ATOM 0 H PHE A 11 5.102 -10.779 2.040 1.00 0.12 H new ATOM 0 HA PHE A 11 2.964 -9.054 1.311 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.181 -9.214 0.143 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.746 -10.802 -0.457 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.360 -7.296 -0.311 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.678 -10.958 -2.562 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.158 -6.231 -2.212 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.474 -9.894 -4.461 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.717 -7.530 -4.289 1.00 0.21 H new ATOM 186 N GLN A 12 2.573 -12.110 0.099 1.00 0.15 N ATOM 187 CA GLN A 12 1.510 -13.059 -0.334 1.00 0.19 C ATOM 188 C GLN A 12 0.541 -13.315 0.819 1.00 0.17 C ATOM 189 O GLN A 12 -0.660 -13.336 0.640 1.00 0.16 O ATOM 190 CB GLN A 12 2.153 -14.381 -0.757 1.00 0.24 C ATOM 191 CG GLN A 12 3.121 -14.134 -1.914 1.00 1.21 C ATOM 192 CD GLN A 12 3.848 -15.434 -2.260 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.001 -16.300 -1.420 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.305 -15.611 -3.469 1.00 2.47 N ATOM 0 H GLN A 12 3.530 -12.434 -0.042 1.00 0.15 H new ATOM 0 HA GLN A 12 0.964 -12.628 -1.174 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.683 -14.825 0.085 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.383 -15.091 -1.059 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.577 -13.767 -2.784 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.842 -13.364 -1.640 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.177 -14.885 -4.174 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.790 -16.475 -3.709 1.00 2.47 H new ATOM 203 N GLU A 13 1.050 -13.517 2.000 1.00 0.19 N ATOM 204 CA GLU A 13 0.158 -13.780 3.159 1.00 0.20 C ATOM 205 C GLU A 13 -0.806 -12.606 3.356 1.00 0.18 C ATOM 206 O GLU A 13 -1.959 -12.791 3.695 1.00 0.19 O ATOM 207 CB GLU A 13 1.010 -13.963 4.415 1.00 0.25 C ATOM 208 CG GLU A 13 1.673 -15.342 4.395 1.00 0.30 C ATOM 209 CD GLU A 13 0.618 -16.424 4.630 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.039 -16.371 5.657 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.485 -17.289 3.779 1.00 2.10 O ATOM 0 H GLU A 13 2.048 -13.511 2.213 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.422 -14.684 2.972 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.771 -13.184 4.466 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.389 -13.861 5.305 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.168 -15.505 3.437 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.443 -15.397 5.165 1.00 0.30 H new ATOM 218 N ALA A 14 -0.349 -11.401 3.154 1.00 0.18 N ATOM 219 CA ALA A 14 -1.249 -10.228 3.339 1.00 0.18 C ATOM 220 C ALA A 14 -2.435 -10.329 2.369 1.00 0.18 C ATOM 221 O ALA A 14 -3.576 -10.149 2.745 1.00 0.19 O ATOM 222 CB ALA A 14 -0.466 -8.947 3.057 1.00 0.20 C ATOM 0 H ALA A 14 0.605 -11.178 2.870 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.624 -10.212 4.362 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.119 -8.085 3.191 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.375 -8.876 3.746 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.095 -8.966 2.032 1.00 0.20 H new ATOM 228 N LEU A 15 -2.166 -10.611 1.122 1.00 0.17 N ATOM 229 CA LEU A 15 -3.265 -10.721 0.113 1.00 0.18 C ATOM 230 C LEU A 15 -4.177 -11.907 0.449 1.00 0.18 C ATOM 231 O LEU A 15 -5.379 -11.842 0.288 1.00 0.18 O ATOM 232 CB LEU A 15 -2.657 -10.930 -1.283 1.00 0.19 C ATOM 233 CG LEU A 15 -1.412 -10.054 -1.444 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.919 -10.133 -2.890 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.758 -8.602 -1.105 1.00 0.62 C ATOM 0 H LEU A 15 -1.228 -10.771 0.755 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.853 -9.803 0.129 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.395 -11.979 -1.422 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.390 -10.680 -2.050 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.631 -10.408 -0.771 1.00 0.24 H new ATOM 0 HD11 LEU A 15 -0.032 -9.510 -3.007 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.671 -11.166 -3.134 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.702 -9.780 -3.561 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.870 -7.980 -1.220 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.539 -8.248 -1.777 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.111 -8.543 -0.076 1.00 0.62 H new ATOM 247 N ASP A 16 -3.614 -12.994 0.896 1.00 0.19 N ATOM 248 CA ASP A 16 -4.448 -14.186 1.221 1.00 0.21 C ATOM 249 C ASP A 16 -5.401 -13.868 2.376 1.00 0.20 C ATOM 250 O ASP A 16 -6.583 -14.138 2.305 1.00 0.20 O ATOM 251 CB ASP A 16 -3.534 -15.348 1.619 1.00 0.24 C ATOM 252 CG ASP A 16 -4.336 -16.650 1.628 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.490 -17.236 0.570 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.783 -17.040 2.695 1.00 1.07 O ATOM 0 H ASP A 16 -2.612 -13.110 1.051 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.036 -14.459 0.345 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.702 -15.426 0.919 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.105 -15.166 2.605 1.00 0.24 H new ATOM 259 N ALA A 17 -4.902 -13.308 3.443 1.00 0.22 N ATOM 260 CA ALA A 17 -5.789 -12.990 4.600 1.00 0.24 C ATOM 261 C ALA A 17 -6.581 -11.708 4.319 1.00 0.21 C ATOM 262 O ALA A 17 -7.478 -11.352 5.056 1.00 0.22 O ATOM 263 CB ALA A 17 -4.935 -12.796 5.855 1.00 0.30 C ATOM 0 H ALA A 17 -3.921 -13.057 3.565 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.487 -13.813 4.752 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.580 -12.563 6.702 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.380 -13.711 6.062 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.236 -11.975 5.696 1.00 0.30 H new ATOM 269 N ALA A 18 -6.258 -11.012 3.264 1.00 0.21 N ATOM 270 CA ALA A 18 -6.997 -9.754 2.949 1.00 0.22 C ATOM 271 C ALA A 18 -8.437 -10.084 2.550 1.00 0.21 C ATOM 272 O ALA A 18 -9.251 -9.205 2.346 1.00 0.24 O ATOM 273 CB ALA A 18 -6.302 -9.031 1.794 1.00 0.23 C ATOM 0 H ALA A 18 -5.517 -11.258 2.608 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.006 -9.113 3.830 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.841 -8.112 1.563 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.278 -8.789 2.079 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.291 -9.676 0.915 1.00 0.23 H new ATOM 279 N GLY A 19 -8.763 -11.343 2.439 1.00 0.22 N ATOM 280 CA GLY A 19 -10.152 -11.719 2.054 1.00 0.24 C ATOM 281 C GLY A 19 -10.393 -11.365 0.586 1.00 0.20 C ATOM 282 O GLY A 19 -9.799 -11.940 -0.304 1.00 0.28 O ATOM 0 H GLY A 19 -8.129 -12.126 2.598 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.307 -12.786 2.211 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.869 -11.196 2.687 1.00 0.24 H new ATOM 286 N ASP A 20 -11.264 -10.421 0.326 1.00 0.13 N ATOM 287 CA ASP A 20 -11.553 -10.023 -1.089 1.00 0.18 C ATOM 288 C ASP A 20 -11.684 -8.494 -1.163 1.00 0.15 C ATOM 289 O ASP A 20 -12.000 -7.943 -2.198 1.00 0.22 O ATOM 290 CB ASP A 20 -12.865 -10.698 -1.567 1.00 0.26 C ATOM 291 CG ASP A 20 -13.657 -11.226 -0.365 1.00 1.43 C ATOM 292 OD1 ASP A 20 -14.099 -10.414 0.431 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.804 -12.432 -0.261 1.00 2.21 O ATOM 0 H ASP A 20 -11.789 -9.907 1.034 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.739 -10.347 -1.737 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.469 -9.982 -2.124 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.634 -11.517 -2.248 1.00 0.26 H new ATOM 298 N LYS A 21 -11.436 -7.805 -0.081 1.00 0.12 N ATOM 299 CA LYS A 21 -11.541 -6.320 -0.111 1.00 0.19 C ATOM 300 C LYS A 21 -10.400 -5.758 -0.956 1.00 0.15 C ATOM 301 O LYS A 21 -9.474 -6.463 -1.307 1.00 0.15 O ATOM 302 CB LYS A 21 -11.445 -5.773 1.316 1.00 0.27 C ATOM 303 CG LYS A 21 -12.793 -5.941 2.020 1.00 0.29 C ATOM 304 CD LYS A 21 -12.607 -5.776 3.529 1.00 0.30 C ATOM 305 CE LYS A 21 -13.965 -5.542 4.196 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.866 -5.859 5.648 1.00 1.90 N ATOM 0 H LYS A 21 -11.167 -8.205 0.818 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.497 -6.025 -0.544 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.667 -6.301 1.867 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.163 -4.720 1.295 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.504 -5.203 1.648 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.210 -6.924 1.800 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.135 -6.666 3.946 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.942 -4.937 3.733 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.276 -4.506 4.059 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.725 -6.167 3.727 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.788 -5.700 6.102 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.588 -6.854 5.768 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.153 -5.244 6.090 1.00 1.90 H new ATOM 320 N LEU A 22 -10.456 -4.500 -1.287 1.00 0.13 N ATOM 321 CA LEU A 22 -9.371 -3.910 -2.109 1.00 0.11 C ATOM 322 C LEU A 22 -8.059 -3.990 -1.309 1.00 0.10 C ATOM 323 O LEU A 22 -8.070 -4.204 -0.113 1.00 0.11 O ATOM 324 CB LEU A 22 -9.735 -2.442 -2.428 1.00 0.12 C ATOM 325 CG LEU A 22 -9.459 -2.088 -3.906 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.803 -0.592 -4.143 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.981 -2.357 -4.254 1.00 0.11 C ATOM 0 H LEU A 22 -11.204 -3.858 -1.024 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.248 -4.451 -3.047 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.788 -2.272 -2.205 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.161 -1.777 -1.782 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.080 -2.711 -4.550 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.610 -0.335 -5.185 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.855 -0.420 -3.915 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.185 0.030 -3.496 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.801 -2.103 -5.299 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.340 -1.747 -3.617 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.755 -3.411 -4.093 1.00 0.11 H new ATOM 339 N VAL A 23 -6.933 -3.820 -1.950 1.00 0.08 N ATOM 340 CA VAL A 23 -5.632 -3.889 -1.217 1.00 0.09 C ATOM 341 C VAL A 23 -4.641 -2.908 -1.849 1.00 0.08 C ATOM 342 O VAL A 23 -4.122 -3.143 -2.921 1.00 0.09 O ATOM 343 CB VAL A 23 -5.065 -5.308 -1.310 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.894 -5.453 -0.338 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.154 -6.320 -0.946 1.00 0.10 C ATOM 0 H VAL A 23 -6.857 -3.636 -2.950 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.792 -3.629 -0.171 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.721 -5.494 -2.327 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.490 -6.463 -0.404 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.117 -4.734 -0.595 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.240 -5.266 0.679 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.749 -7.330 -1.013 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.499 -6.134 0.071 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.991 -6.218 -1.637 1.00 0.10 H new ATOM 355 N VAL A 24 -4.366 -1.813 -1.183 1.00 0.08 N ATOM 356 CA VAL A 24 -3.399 -0.810 -1.728 1.00 0.08 C ATOM 357 C VAL A 24 -2.068 -0.958 -0.991 1.00 0.08 C ATOM 358 O VAL A 24 -2.025 -1.099 0.215 1.00 0.08 O ATOM 359 CB VAL A 24 -3.953 0.602 -1.529 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.181 1.588 -2.407 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.434 0.626 -1.914 1.00 0.09 C ATOM 0 H VAL A 24 -4.773 -1.570 -0.280 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.249 -0.980 -2.794 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.843 0.889 -0.483 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.579 2.593 -2.262 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.127 1.572 -2.132 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.287 1.303 -3.454 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.830 1.631 -1.773 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.543 0.336 -2.959 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.985 -0.073 -1.285 1.00 0.09 H new ATOM 371 N VAL A 25 -0.981 -0.944 -1.718 1.00 0.09 N ATOM 372 CA VAL A 25 0.371 -1.100 -1.093 1.00 0.09 C ATOM 373 C VAL A 25 1.150 0.201 -1.237 1.00 0.10 C ATOM 374 O VAL A 25 1.218 0.776 -2.304 1.00 0.17 O ATOM 375 CB VAL A 25 1.130 -2.218 -1.813 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.298 -2.698 -0.947 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.179 -3.386 -2.078 1.00 0.09 C ATOM 0 H VAL A 25 -0.970 -0.830 -2.732 1.00 0.09 H new ATOM 0 HA VAL A 25 0.259 -1.345 -0.037 1.00 0.09 H new ATOM 0 HB VAL A 25 1.519 -1.838 -2.758 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.833 -3.493 -1.466 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.977 -1.867 -0.759 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.916 -3.076 0.001 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.717 -4.184 -2.591 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.210 -3.761 -1.131 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.648 -3.047 -2.701 1.00 0.09 H new ATOM 387 N ASP A 26 1.748 0.659 -0.173 1.00 0.08 N ATOM 388 CA ASP A 26 2.538 1.923 -0.230 1.00 0.08 C ATOM 389 C ASP A 26 4.030 1.593 -0.184 1.00 0.08 C ATOM 390 O ASP A 26 4.574 1.281 0.856 1.00 0.09 O ATOM 391 CB ASP A 26 2.173 2.797 0.971 1.00 0.09 C ATOM 392 CG ASP A 26 3.085 4.025 1.011 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.146 4.725 0.015 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.706 4.244 2.039 1.00 0.93 O ATOM 0 H ASP A 26 1.724 0.209 0.742 1.00 0.08 H new ATOM 0 HA ASP A 26 2.313 2.456 -1.154 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.131 3.108 0.903 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.276 2.226 1.894 1.00 0.09 H new ATOM 399 N PHE A 27 4.700 1.676 -1.301 1.00 0.08 N ATOM 400 CA PHE A 27 6.159 1.386 -1.319 1.00 0.09 C ATOM 401 C PHE A 27 6.892 2.676 -0.961 1.00 0.11 C ATOM 402 O PHE A 27 7.389 3.375 -1.823 1.00 0.13 O ATOM 403 CB PHE A 27 6.575 0.949 -2.724 1.00 0.10 C ATOM 404 CG PHE A 27 6.171 -0.488 -2.978 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.852 -0.802 -3.367 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.126 -1.515 -2.844 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.491 -2.143 -3.617 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.765 -2.853 -3.098 1.00 0.21 C ATOM 409 CZ PHE A 27 5.448 -3.166 -3.483 1.00 0.23 C ATOM 0 H PHE A 27 4.298 1.933 -2.203 1.00 0.08 H new ATOM 0 HA PHE A 27 6.399 0.592 -0.612 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.110 1.599 -3.465 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.654 1.055 -2.839 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.119 -0.016 -3.473 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.136 -1.276 -2.546 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.480 -2.384 -3.911 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.499 -3.639 -2.997 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.172 -4.192 -3.676 1.00 0.23 H new ATOM 419 N SER A 28 6.942 3.003 0.307 1.00 0.11 N ATOM 420 CA SER A 28 7.624 4.260 0.750 1.00 0.12 C ATOM 421 C SER A 28 8.867 3.913 1.564 1.00 0.10 C ATOM 422 O SER A 28 8.902 2.931 2.276 1.00 0.11 O ATOM 423 CB SER A 28 6.665 5.062 1.628 1.00 0.17 C ATOM 424 OG SER A 28 5.592 5.547 0.830 1.00 1.03 O ATOM 0 H SER A 28 6.536 2.448 1.061 1.00 0.11 H new ATOM 0 HA SER A 28 7.913 4.843 -0.124 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.281 4.436 2.433 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.191 5.894 2.095 1.00 0.17 H new ATOM 0 HG SER A 28 4.982 6.074 1.387 1.00 1.03 H new ATOM 430 N ALA A 29 9.887 4.724 1.475 1.00 0.10 N ATOM 431 CA ALA A 29 11.127 4.456 2.255 1.00 0.15 C ATOM 432 C ALA A 29 11.026 5.179 3.603 1.00 0.18 C ATOM 433 O ALA A 29 10.787 6.369 3.664 1.00 0.26 O ATOM 434 CB ALA A 29 12.341 4.963 1.462 1.00 0.19 C ATOM 0 H ALA A 29 9.914 5.562 0.894 1.00 0.10 H new ATOM 0 HA ALA A 29 11.245 3.387 2.430 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.252 4.770 2.028 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.392 4.445 0.504 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.241 6.035 1.290 1.00 0.19 H new ATOM 440 N THR A 30 11.191 4.463 4.681 1.00 0.18 N ATOM 441 CA THR A 30 11.088 5.100 6.027 1.00 0.23 C ATOM 442 C THR A 30 12.231 6.099 6.232 1.00 0.26 C ATOM 443 O THR A 30 12.135 7.003 7.039 1.00 0.31 O ATOM 444 CB THR A 30 11.163 4.016 7.104 1.00 0.26 C ATOM 445 OG1 THR A 30 11.023 4.613 8.386 1.00 0.32 O ATOM 446 CG2 THR A 30 12.511 3.298 7.017 1.00 0.28 C ATOM 0 H THR A 30 11.393 3.463 4.689 1.00 0.18 H new ATOM 0 HA THR A 30 10.139 5.631 6.097 1.00 0.23 H new ATOM 0 HB THR A 30 10.360 3.295 6.949 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.069 3.919 9.077 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.562 2.526 7.785 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.616 2.839 6.034 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.316 4.016 7.170 1.00 0.28 H new ATOM 454 N TRP A 31 13.315 5.943 5.522 1.00 0.26 N ATOM 455 CA TRP A 31 14.464 6.884 5.692 1.00 0.32 C ATOM 456 C TRP A 31 14.305 8.079 4.750 1.00 0.32 C ATOM 457 O TRP A 31 14.989 9.076 4.878 1.00 0.36 O ATOM 458 CB TRP A 31 15.772 6.151 5.367 1.00 0.34 C ATOM 459 CG TRP A 31 15.851 5.865 3.901 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.436 4.723 3.305 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.368 6.717 2.842 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.670 4.819 1.943 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.243 6.028 1.606 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.933 8.013 2.833 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.663 6.606 0.399 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.357 8.599 1.623 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.222 7.896 0.407 1.00 0.40 C ATOM 0 H TRP A 31 13.457 5.206 4.831 1.00 0.26 H new ATOM 0 HA TRP A 31 14.486 7.241 6.722 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.624 6.758 5.673 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.826 5.219 5.930 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.995 3.876 3.809 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.446 4.085 1.271 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.040 8.558 3.759 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.558 6.064 -0.529 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.787 9.590 1.627 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.548 8.349 -0.518 1.00 0.40 H new ATOM 478 N CYS A 32 13.421 7.980 3.794 1.00 0.28 N ATOM 479 CA CYS A 32 13.227 9.099 2.825 1.00 0.30 C ATOM 480 C CYS A 32 12.043 9.972 3.260 1.00 0.31 C ATOM 481 O CYS A 32 10.912 9.533 3.307 1.00 0.29 O ATOM 482 CB CYS A 32 12.972 8.503 1.436 1.00 0.28 C ATOM 483 SG CYS A 32 13.563 9.649 0.163 1.00 0.32 S ATOM 0 H CYS A 32 12.822 7.169 3.641 1.00 0.28 H new ATOM 0 HA CYS A 32 14.118 9.726 2.796 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.482 7.544 1.342 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.907 8.312 1.301 1.00 0.28 H new ATOM 488 N GLY A 33 12.310 11.208 3.576 1.00 0.34 N ATOM 489 CA GLY A 33 11.230 12.137 4.008 1.00 0.36 C ATOM 490 C GLY A 33 10.114 12.231 2.950 1.00 0.35 C ATOM 491 O GLY A 33 8.965 12.006 3.268 1.00 0.33 O ATOM 0 H GLY A 33 13.243 11.619 3.553 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.809 11.794 4.953 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.649 13.127 4.186 1.00 0.36 H new ATOM 495 N PRO A 34 10.467 12.580 1.728 1.00 0.37 N ATOM 496 CA PRO A 34 9.468 12.728 0.651 1.00 0.38 C ATOM 497 C PRO A 34 8.517 11.527 0.614 1.00 0.35 C ATOM 498 O PRO A 34 7.348 11.665 0.313 1.00 0.36 O ATOM 499 CB PRO A 34 10.310 12.840 -0.643 1.00 0.42 C ATOM 500 CG PRO A 34 11.764 13.168 -0.198 1.00 0.44 C ATOM 501 CD PRO A 34 11.862 12.847 1.312 1.00 0.40 C ATOM 0 HA PRO A 34 8.825 13.597 0.791 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.278 11.908 -1.208 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.918 13.621 -1.294 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.483 12.576 -0.765 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.997 14.216 -0.385 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.502 11.983 1.493 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.289 13.682 1.868 1.00 0.40 H new ATOM 509 N ALA A 35 8.996 10.358 0.923 1.00 0.33 N ATOM 510 CA ALA A 35 8.099 9.169 0.909 1.00 0.32 C ATOM 511 C ALA A 35 7.251 9.172 2.184 1.00 0.39 C ATOM 512 O ALA A 35 6.037 9.157 2.139 1.00 0.81 O ATOM 513 CB ALA A 35 8.948 7.894 0.843 1.00 0.36 C ATOM 0 H ALA A 35 9.965 10.172 1.184 1.00 0.33 H new ATOM 0 HA ALA A 35 7.443 9.203 0.039 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.294 7.022 0.833 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.552 7.906 -0.064 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.602 7.847 1.714 1.00 0.36 H new ATOM 519 N LYS A 36 7.889 9.197 3.319 1.00 0.30 N ATOM 520 CA LYS A 36 7.143 9.208 4.610 1.00 0.28 C ATOM 521 C LYS A 36 6.233 10.439 4.674 1.00 0.24 C ATOM 522 O LYS A 36 5.304 10.494 5.455 1.00 0.25 O ATOM 523 CB LYS A 36 8.154 9.255 5.759 1.00 0.35 C ATOM 524 CG LYS A 36 7.428 9.126 7.100 1.00 0.38 C ATOM 525 CD LYS A 36 8.456 9.114 8.234 1.00 0.49 C ATOM 526 CE LYS A 36 7.764 8.779 9.559 1.00 1.22 C ATOM 527 NZ LYS A 36 7.496 7.315 9.623 1.00 1.92 N ATOM 0 H LYS A 36 8.905 9.210 3.410 1.00 0.30 H new ATOM 0 HA LYS A 36 6.528 8.311 4.690 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.879 8.449 5.650 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.711 10.191 5.726 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.734 9.956 7.232 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.837 8.210 7.120 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.234 8.380 8.024 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.945 10.086 8.304 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.393 9.081 10.397 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.830 9.335 9.645 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.582 7.150 10.091 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.467 6.925 8.659 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 8.251 6.847 10.163 1.00 1.92 H new ATOM 541 N MET A 37 6.498 11.429 3.869 1.00 0.23 N ATOM 542 CA MET A 37 5.655 12.659 3.898 1.00 0.24 C ATOM 543 C MET A 37 4.192 12.303 3.605 1.00 0.20 C ATOM 544 O MET A 37 3.294 13.060 3.914 1.00 0.20 O ATOM 545 CB MET A 37 6.169 13.660 2.844 1.00 0.29 C ATOM 546 CG MET A 37 7.259 14.554 3.448 1.00 1.31 C ATOM 547 SD MET A 37 6.490 15.829 4.479 1.00 2.12 S ATOM 548 CE MET A 37 7.857 17.014 4.435 1.00 3.13 C ATOM 0 H MET A 37 7.261 11.441 3.192 1.00 0.23 H new ATOM 0 HA MET A 37 5.716 13.110 4.888 1.00 0.24 H new ATOM 0 HB2 MET A 37 6.566 13.121 1.984 1.00 0.29 H new ATOM 0 HB3 MET A 37 5.344 14.274 2.483 1.00 0.29 H new ATOM 0 HG2 MET A 37 7.947 13.955 4.044 1.00 1.31 H new ATOM 0 HG3 MET A 37 7.845 15.017 2.655 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.593 17.896 5.019 1.00 3.13 H new ATOM 0 HE2 MET A 37 8.751 16.554 4.856 1.00 3.13 H new ATOM 0 HE3 MET A 37 8.051 17.307 3.403 1.00 3.13 H new ATOM 558 N ILE A 38 3.941 11.171 2.998 1.00 0.18 N ATOM 559 CA ILE A 38 2.530 10.789 2.672 1.00 0.15 C ATOM 560 C ILE A 38 1.964 9.844 3.728 1.00 0.16 C ATOM 561 O ILE A 38 0.850 9.375 3.615 1.00 0.16 O ATOM 562 CB ILE A 38 2.498 10.108 1.303 1.00 0.16 C ATOM 563 CG1 ILE A 38 2.925 11.135 0.246 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.077 9.592 0.999 1.00 0.17 C ATOM 565 CD1 ILE A 38 2.989 10.479 -1.147 1.00 0.28 C ATOM 0 H ILE A 38 4.650 10.495 2.714 1.00 0.18 H new ATOM 0 HA ILE A 38 1.917 11.690 2.656 1.00 0.15 H new ATOM 0 HB ILE A 38 3.178 9.256 1.293 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.220 11.966 0.231 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.900 11.549 0.505 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.067 9.109 0.022 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.780 8.873 1.762 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.379 10.429 0.998 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.293 11.221 -1.885 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.712 9.664 -1.132 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.006 10.087 -1.410 1.00 0.28 H new ATOM 577 N LYS A 39 2.695 9.560 4.773 1.00 0.19 N ATOM 578 CA LYS A 39 2.130 8.644 5.795 1.00 0.22 C ATOM 579 C LYS A 39 0.906 9.256 6.512 1.00 0.20 C ATOM 580 O LYS A 39 0.027 8.520 6.901 1.00 0.21 O ATOM 581 CB LYS A 39 3.206 8.148 6.802 1.00 0.31 C ATOM 582 CG LYS A 39 3.519 9.170 7.922 1.00 0.34 C ATOM 583 CD LYS A 39 4.132 8.451 9.139 1.00 0.45 C ATOM 584 CE LYS A 39 3.118 7.479 9.779 1.00 1.16 C ATOM 585 NZ LYS A 39 3.399 6.094 9.301 1.00 1.62 N ATOM 0 H LYS A 39 3.634 9.914 4.958 1.00 0.19 H new ATOM 0 HA LYS A 39 1.775 7.764 5.259 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.867 7.217 7.255 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.124 7.923 6.259 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.210 9.927 7.551 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.607 9.688 8.217 1.00 0.34 H new ATOM 0 HD2 LYS A 39 5.022 7.902 8.831 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.451 9.187 9.877 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.189 7.523 10.866 1.00 1.16 H new ATOM 0 HE3 LYS A 39 2.101 7.769 9.514 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.613 5.766 8.705 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 4.279 6.090 8.747 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.502 5.459 10.118 1.00 1.62 H new ATOM 599 N PRO A 40 0.845 10.563 6.704 1.00 0.20 N ATOM 600 CA PRO A 40 -0.306 11.141 7.410 1.00 0.21 C ATOM 601 C PRO A 40 -1.575 10.982 6.564 1.00 0.17 C ATOM 602 O PRO A 40 -2.646 11.401 6.954 1.00 0.20 O ATOM 603 CB PRO A 40 0.061 12.620 7.641 1.00 0.24 C ATOM 604 CG PRO A 40 1.477 12.845 7.034 1.00 0.25 C ATOM 605 CD PRO A 40 1.850 11.562 6.265 1.00 0.21 C ATOM 0 HA PRO A 40 -0.515 10.644 8.358 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.669 13.276 7.167 1.00 0.24 H new ATOM 0 HB3 PRO A 40 0.057 12.855 8.705 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.478 13.707 6.367 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.205 13.049 7.819 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.810 11.719 5.187 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.863 11.237 6.502 1.00 0.21 H new ATOM 613 N PHE A 41 -1.454 10.377 5.410 1.00 0.14 N ATOM 614 CA PHE A 41 -2.641 10.168 4.522 1.00 0.14 C ATOM 615 C PHE A 41 -2.847 8.669 4.317 1.00 0.11 C ATOM 616 O PHE A 41 -3.701 8.063 4.926 1.00 0.13 O ATOM 617 CB PHE A 41 -2.391 10.831 3.165 1.00 0.15 C ATOM 618 CG PHE A 41 -2.580 12.321 3.294 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.545 13.118 3.819 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.793 12.909 2.894 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.724 14.510 3.942 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.973 14.302 3.017 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.938 15.101 3.542 1.00 0.27 C ATOM 0 H PHE A 41 -0.575 10.015 5.040 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.525 10.608 4.982 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.381 10.610 2.820 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.077 10.429 2.420 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.615 12.663 4.127 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.586 12.295 2.493 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.931 15.123 4.343 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.903 14.756 2.709 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.076 16.168 3.638 1.00 0.27 H new ATOM 633 N PHE A 42 -2.063 8.075 3.458 1.00 0.10 N ATOM 634 CA PHE A 42 -2.193 6.614 3.183 1.00 0.11 C ATOM 635 C PHE A 42 -2.441 5.838 4.484 1.00 0.11 C ATOM 636 O PHE A 42 -3.408 5.114 4.608 1.00 0.12 O ATOM 637 CB PHE A 42 -0.900 6.122 2.526 1.00 0.13 C ATOM 638 CG PHE A 42 -0.939 4.622 2.384 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.676 4.041 1.341 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.235 3.805 3.293 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.713 2.644 1.199 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.273 2.405 3.152 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.013 1.824 2.105 1.00 0.10 C ATOM 0 H PHE A 42 -1.329 8.545 2.929 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.041 6.446 2.519 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.779 6.586 1.547 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.040 6.417 3.127 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.215 4.668 0.647 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.332 4.253 4.096 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.279 2.198 0.394 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.265 1.777 3.847 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.044 0.750 1.997 1.00 0.10 H new ATOM 653 N HIS A 43 -1.580 5.981 5.450 1.00 0.14 N ATOM 654 CA HIS A 43 -1.776 5.251 6.735 1.00 0.16 C ATOM 655 C HIS A 43 -3.012 5.803 7.466 1.00 0.16 C ATOM 656 O HIS A 43 -3.687 5.085 8.177 1.00 0.18 O ATOM 657 CB HIS A 43 -0.485 5.372 7.582 1.00 0.21 C ATOM 658 CG HIS A 43 -0.783 5.330 9.059 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.719 4.161 9.800 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.184 6.310 9.932 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.078 4.463 11.061 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.373 5.760 11.197 1.00 0.39 N ATOM 0 H HIS A 43 -0.749 6.571 5.407 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.961 4.192 6.552 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.197 4.561 7.325 1.00 0.21 H new ATOM 0 HB3 HIS A 43 0.024 6.305 7.339 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.331 7.349 9.677 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.123 3.745 11.866 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.672 6.242 12.045 1.00 0.39 H new ATOM 670 N SER A 44 -3.318 7.058 7.300 1.00 0.20 N ATOM 671 CA SER A 44 -4.516 7.625 7.988 1.00 0.25 C ATOM 672 C SER A 44 -5.800 6.994 7.431 1.00 0.20 C ATOM 673 O SER A 44 -6.712 6.678 8.168 1.00 0.21 O ATOM 674 CB SER A 44 -4.558 9.135 7.779 1.00 0.34 C ATOM 675 OG SER A 44 -4.931 9.414 6.436 1.00 0.97 O ATOM 0 H SER A 44 -2.795 7.715 6.721 1.00 0.20 H new ATOM 0 HA SER A 44 -4.448 7.404 9.053 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.270 9.589 8.468 1.00 0.34 H new ATOM 0 HB3 SER A 44 -3.583 9.571 7.996 1.00 0.34 H new ATOM 0 HG SER A 44 -4.509 8.763 5.837 1.00 0.97 H new ATOM 681 N LEU A 45 -5.889 6.818 6.137 1.00 0.18 N ATOM 682 CA LEU A 45 -7.127 6.219 5.549 1.00 0.18 C ATOM 683 C LEU A 45 -7.497 4.944 6.312 1.00 0.16 C ATOM 684 O LEU A 45 -8.603 4.452 6.214 1.00 0.23 O ATOM 685 CB LEU A 45 -6.891 5.861 4.074 1.00 0.19 C ATOM 686 CG LEU A 45 -6.451 7.097 3.276 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.281 6.709 1.805 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.509 8.208 3.396 1.00 0.50 C ATOM 0 H LEU A 45 -5.162 7.062 5.464 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.936 6.946 5.624 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.129 5.085 4.001 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.805 5.451 3.644 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.506 7.466 3.674 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.969 7.582 1.232 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.524 5.929 1.720 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.229 6.339 1.414 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.187 9.080 2.827 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.460 7.849 3.003 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.630 8.483 4.444 1.00 0.50 H new ATOM 700 N SER A 46 -6.582 4.402 7.063 1.00 0.20 N ATOM 701 CA SER A 46 -6.885 3.156 7.821 1.00 0.25 C ATOM 702 C SER A 46 -8.088 3.377 8.743 1.00 0.17 C ATOM 703 O SER A 46 -8.782 2.445 9.099 1.00 0.15 O ATOM 704 CB SER A 46 -5.670 2.765 8.664 1.00 0.36 C ATOM 705 OG SER A 46 -4.510 2.761 7.842 1.00 0.51 O ATOM 0 H SER A 46 -5.637 4.767 7.186 1.00 0.20 H new ATOM 0 HA SER A 46 -7.118 2.360 7.114 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.543 3.467 9.488 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.821 1.780 9.105 1.00 0.36 H new ATOM 0 HG SER A 46 -3.907 3.481 8.123 1.00 0.51 H new ATOM 711 N GLU A 47 -8.334 4.597 9.151 1.00 0.21 N ATOM 712 CA GLU A 47 -9.485 4.869 10.070 1.00 0.21 C ATOM 713 C GLU A 47 -10.706 5.355 9.283 1.00 0.18 C ATOM 714 O GLU A 47 -11.830 5.209 9.721 1.00 0.18 O ATOM 715 CB GLU A 47 -9.075 5.944 11.081 1.00 0.32 C ATOM 716 CG GLU A 47 -7.663 5.652 11.589 1.00 0.39 C ATOM 717 CD GLU A 47 -7.365 6.531 12.805 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.282 7.179 13.283 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.224 6.542 13.239 1.00 1.98 O ATOM 0 H GLU A 47 -7.788 5.417 8.888 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.749 3.945 10.585 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.109 6.929 10.615 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.777 5.961 11.915 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.572 4.599 11.857 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.935 5.844 10.801 1.00 0.39 H new ATOM 726 N LYS A 48 -10.508 5.938 8.131 1.00 0.18 N ATOM 727 CA LYS A 48 -11.677 6.434 7.339 1.00 0.17 C ATOM 728 C LYS A 48 -12.158 5.335 6.392 1.00 0.15 C ATOM 729 O LYS A 48 -13.273 5.367 5.910 1.00 0.18 O ATOM 730 CB LYS A 48 -11.263 7.664 6.524 1.00 0.21 C ATOM 731 CG LYS A 48 -12.516 8.400 6.038 1.00 0.26 C ATOM 732 CD LYS A 48 -12.110 9.678 5.304 1.00 1.09 C ATOM 733 CE LYS A 48 -13.360 10.499 4.980 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.983 10.980 6.247 1.00 2.16 N ATOM 0 H LYS A 48 -9.595 6.093 7.704 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.483 6.705 8.020 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.651 8.329 7.134 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.653 7.361 5.673 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.094 7.756 5.375 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.158 8.644 6.885 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.427 10.263 5.920 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.577 9.429 4.386 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.097 11.347 4.347 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -14.072 9.892 4.420 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.550 11.830 6.054 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.596 10.236 6.637 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.238 11.210 6.935 1.00 2.16 H new ATOM 748 N TYR A 49 -11.324 4.362 6.120 1.00 0.13 N ATOM 749 CA TYR A 49 -11.721 3.248 5.200 1.00 0.13 C ATOM 750 C TYR A 49 -11.357 1.909 5.839 1.00 0.11 C ATOM 751 O TYR A 49 -10.537 1.168 5.335 1.00 0.11 O ATOM 752 CB TYR A 49 -10.983 3.406 3.863 1.00 0.15 C ATOM 753 CG TYR A 49 -11.678 4.462 3.037 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.954 4.201 2.505 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.061 5.709 2.813 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.614 5.182 1.745 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.721 6.693 2.054 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.999 6.431 1.518 1.00 0.21 C ATOM 759 OH TYR A 49 -13.647 7.396 0.775 1.00 0.24 O ATOM 0 H TYR A 49 -10.379 4.290 6.497 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.796 3.281 5.024 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.945 3.688 4.038 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.970 2.457 3.326 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.427 3.246 2.681 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.082 5.909 3.224 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.592 4.979 1.335 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.249 7.649 1.882 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.084 8.196 0.716 1.00 0.24 H new ATOM 769 N SER A 50 -11.971 1.592 6.944 1.00 0.12 N ATOM 770 CA SER A 50 -11.675 0.300 7.619 1.00 0.13 C ATOM 771 C SER A 50 -12.175 -0.847 6.737 1.00 0.13 C ATOM 772 O SER A 50 -11.997 -2.008 7.048 1.00 0.14 O ATOM 773 CB SER A 50 -12.389 0.259 8.969 1.00 0.16 C ATOM 774 OG SER A 50 -13.790 0.390 8.764 1.00 0.17 O ATOM 0 H SER A 50 -12.667 2.174 7.410 1.00 0.12 H new ATOM 0 HA SER A 50 -10.601 0.200 7.777 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.171 -0.679 9.480 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.027 1.063 9.609 1.00 0.16 H new ATOM 0 HG SER A 50 -14.251 0.362 9.628 1.00 0.17 H new ATOM 780 N ASN A 51 -12.804 -0.524 5.637 1.00 0.13 N ATOM 781 CA ASN A 51 -13.326 -1.580 4.721 1.00 0.15 C ATOM 782 C ASN A 51 -12.295 -1.858 3.628 1.00 0.13 C ATOM 783 O ASN A 51 -12.510 -2.670 2.749 1.00 0.14 O ATOM 784 CB ASN A 51 -14.624 -1.087 4.083 1.00 0.17 C ATOM 785 CG ASN A 51 -15.220 -2.191 3.208 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.857 -2.332 2.057 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.127 -2.985 3.707 1.00 0.32 N ATOM 0 H ASN A 51 -12.979 0.433 5.332 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.515 -2.496 5.281 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.335 -0.800 4.858 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.431 -0.198 3.482 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.531 -3.724 3.131 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.432 -2.867 4.673 1.00 0.32 H new ATOM 794 N VAL A 52 -11.174 -1.186 3.681 1.00 0.11 N ATOM 795 CA VAL A 52 -10.099 -1.386 2.659 1.00 0.10 C ATOM 796 C VAL A 52 -8.836 -1.875 3.361 1.00 0.10 C ATOM 797 O VAL A 52 -8.579 -1.538 4.500 1.00 0.11 O ATOM 798 CB VAL A 52 -9.806 -0.054 1.976 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.642 -0.224 1.000 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.051 0.414 1.218 1.00 0.12 C ATOM 0 H VAL A 52 -10.953 -0.496 4.400 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.421 -2.118 1.918 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.539 0.689 2.727 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.434 0.728 0.513 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.757 -0.555 1.543 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.904 -0.967 0.247 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.843 1.366 0.729 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.320 -0.328 0.467 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.878 0.538 1.918 1.00 0.12 H new ATOM 810 N ILE A 53 -8.048 -2.677 2.696 1.00 0.09 N ATOM 811 CA ILE A 53 -6.799 -3.205 3.327 1.00 0.09 C ATOM 812 C ILE A 53 -5.598 -2.372 2.857 1.00 0.09 C ATOM 813 O ILE A 53 -5.362 -2.225 1.674 1.00 0.14 O ATOM 814 CB ILE A 53 -6.600 -4.661 2.894 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.939 -5.428 2.938 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.561 -5.337 3.798 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.672 -5.228 4.275 1.00 0.17 C ATOM 0 H ILE A 53 -8.214 -2.991 1.740 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.882 -3.146 4.412 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.235 -4.676 1.867 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.577 -5.092 2.121 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.754 -6.491 2.781 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.424 -6.372 3.485 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.612 -4.806 3.721 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.907 -5.314 4.831 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.609 -5.785 4.263 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.046 -5.589 5.091 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.882 -4.168 4.420 1.00 0.17 H new ATOM 829 N PHE A 54 -4.837 -1.832 3.778 1.00 0.08 N ATOM 830 CA PHE A 54 -3.638 -1.008 3.408 1.00 0.08 C ATOM 831 C PHE A 54 -2.369 -1.737 3.848 1.00 0.08 C ATOM 832 O PHE A 54 -2.258 -2.186 4.972 1.00 0.11 O ATOM 833 CB PHE A 54 -3.712 0.343 4.122 1.00 0.08 C ATOM 834 CG PHE A 54 -4.961 1.072 3.691 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.063 1.567 2.379 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.025 1.254 4.599 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.227 2.248 1.972 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.188 1.935 4.192 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.289 2.432 2.878 1.00 0.09 C ATOM 0 H PHE A 54 -4.995 -1.927 4.781 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.620 -0.854 2.329 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.718 0.196 5.202 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.830 0.939 3.887 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.249 1.425 1.683 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.948 0.871 5.606 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.305 2.629 0.965 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.002 2.076 4.887 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.181 2.954 2.565 1.00 0.09 H new ATOM 849 N LEU A 55 -1.408 -1.860 2.964 1.00 0.08 N ATOM 850 CA LEU A 55 -0.128 -2.562 3.304 1.00 0.09 C ATOM 851 C LEU A 55 1.013 -1.539 3.318 1.00 0.09 C ATOM 852 O LEU A 55 0.839 -0.392 2.958 1.00 0.10 O ATOM 853 CB LEU A 55 0.171 -3.631 2.238 1.00 0.10 C ATOM 854 CG LEU A 55 -0.629 -4.915 2.508 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.125 -4.599 2.662 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.423 -5.878 1.330 1.00 0.12 C ATOM 0 H LEU A 55 -1.456 -1.500 2.011 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.219 -3.036 4.281 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.078 -3.244 1.250 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.237 -3.857 2.233 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.279 -5.370 3.434 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.674 -5.521 2.853 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.268 -3.913 3.497 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.496 -4.139 1.746 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.985 -6.795 1.507 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.774 -5.409 0.411 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.637 -6.115 1.235 1.00 0.12 H new ATOM 868 N GLU A 56 2.185 -1.953 3.724 1.00 0.09 N ATOM 869 CA GLU A 56 3.354 -1.021 3.757 1.00 0.09 C ATOM 870 C GLU A 56 4.610 -1.814 3.382 1.00 0.09 C ATOM 871 O GLU A 56 4.754 -2.963 3.751 1.00 0.10 O ATOM 872 CB GLU A 56 3.497 -0.431 5.171 1.00 0.09 C ATOM 873 CG GLU A 56 4.343 0.849 5.127 1.00 0.11 C ATOM 874 CD GLU A 56 4.233 1.582 6.467 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.408 0.939 7.490 1.00 1.24 O ATOM 876 OE2 GLU A 56 3.976 2.775 6.449 1.00 1.31 O ATOM 0 H GLU A 56 2.385 -2.903 4.036 1.00 0.09 H new ATOM 0 HA GLU A 56 3.212 -0.202 3.052 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.512 -0.211 5.583 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.963 -1.161 5.833 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.384 0.602 4.920 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.002 1.495 4.318 1.00 0.11 H new ATOM 883 N VAL A 57 5.512 -1.224 2.631 1.00 0.08 N ATOM 884 CA VAL A 57 6.749 -1.962 2.211 1.00 0.08 C ATOM 885 C VAL A 57 7.976 -1.046 2.316 1.00 0.09 C ATOM 886 O VAL A 57 7.931 0.122 1.975 1.00 0.14 O ATOM 887 CB VAL A 57 6.590 -2.422 0.750 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.935 -2.926 0.212 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.558 -3.553 0.666 1.00 0.09 C ATOM 0 H VAL A 57 5.445 -0.265 2.291 1.00 0.08 H new ATOM 0 HA VAL A 57 6.889 -2.823 2.865 1.00 0.08 H new ATOM 0 HB VAL A 57 6.252 -1.576 0.151 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.815 -3.250 -0.822 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.669 -2.122 0.258 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.278 -3.765 0.817 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.452 -3.872 -0.371 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.891 -4.395 1.273 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.597 -3.197 1.036 1.00 0.09 H new ATOM 899 N ASP A 58 9.083 -1.590 2.764 1.00 0.09 N ATOM 900 CA ASP A 58 10.343 -0.793 2.875 1.00 0.09 C ATOM 901 C ASP A 58 11.225 -1.122 1.663 1.00 0.10 C ATOM 902 O ASP A 58 11.928 -2.112 1.644 1.00 0.11 O ATOM 903 CB ASP A 58 11.075 -1.170 4.170 1.00 0.11 C ATOM 904 CG ASP A 58 12.109 -0.094 4.511 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.700 0.988 4.902 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.289 -0.369 4.377 1.00 1.06 O ATOM 0 H ASP A 58 9.166 -2.563 3.060 1.00 0.09 H new ATOM 0 HA ASP A 58 10.119 0.273 2.897 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.360 -1.273 4.986 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.566 -2.136 4.053 1.00 0.11 H new ATOM 911 N VAL A 59 11.170 -0.311 0.645 1.00 0.12 N ATOM 912 CA VAL A 59 11.976 -0.579 -0.585 1.00 0.15 C ATOM 913 C VAL A 59 13.470 -0.691 -0.261 1.00 0.18 C ATOM 914 O VAL A 59 14.277 -0.913 -1.141 1.00 0.27 O ATOM 915 CB VAL A 59 11.770 0.568 -1.574 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.339 0.528 -2.116 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.006 1.902 -0.861 1.00 0.22 C ATOM 0 H VAL A 59 10.598 0.533 0.609 1.00 0.12 H new ATOM 0 HA VAL A 59 11.644 -1.525 -1.013 1.00 0.15 H new ATOM 0 HB VAL A 59 12.473 0.465 -2.400 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.194 1.347 -2.821 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.168 -0.422 -2.623 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.634 0.631 -1.291 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.860 2.722 -1.565 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.302 2.003 -0.035 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.025 1.933 -0.475 1.00 0.22 H new ATOM 927 N ASP A 60 13.853 -0.530 0.982 1.00 0.16 N ATOM 928 CA ASP A 60 15.308 -0.611 1.346 1.00 0.18 C ATOM 929 C ASP A 60 15.594 -1.880 2.155 1.00 0.17 C ATOM 930 O ASP A 60 16.579 -2.555 1.933 1.00 0.18 O ATOM 931 CB ASP A 60 15.681 0.610 2.185 1.00 0.21 C ATOM 932 CG ASP A 60 15.557 1.874 1.330 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.502 2.182 0.623 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.519 2.512 1.398 1.00 1.08 O ATOM 0 H ASP A 60 13.223 -0.346 1.763 1.00 0.16 H new ATOM 0 HA ASP A 60 15.898 -0.638 0.430 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.027 0.681 3.054 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.700 0.510 2.559 1.00 0.21 H new ATOM 939 N ASP A 61 14.752 -2.205 3.100 1.00 0.17 N ATOM 940 CA ASP A 61 14.989 -3.425 3.933 1.00 0.17 C ATOM 941 C ASP A 61 14.206 -4.607 3.343 1.00 0.16 C ATOM 942 O ASP A 61 14.560 -5.753 3.541 1.00 0.18 O ATOM 943 CB ASP A 61 14.536 -3.129 5.375 1.00 0.19 C ATOM 944 CG ASP A 61 14.281 -4.433 6.142 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.200 -5.230 6.238 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.172 -4.611 6.618 1.00 1.07 O ATOM 0 H ASP A 61 13.909 -1.679 3.333 1.00 0.17 H new ATOM 0 HA ASP A 61 16.047 -3.687 3.938 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.299 -2.543 5.888 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.628 -2.527 5.360 1.00 0.19 H new ATOM 951 N ALA A 62 13.158 -4.336 2.606 1.00 0.16 N ATOM 952 CA ALA A 62 12.356 -5.435 1.978 1.00 0.16 C ATOM 953 C ALA A 62 12.625 -5.430 0.474 1.00 0.16 C ATOM 954 O ALA A 62 11.725 -5.550 -0.334 1.00 0.15 O ATOM 955 CB ALA A 62 10.865 -5.195 2.231 1.00 0.17 C ATOM 0 H ALA A 62 12.820 -3.394 2.410 1.00 0.16 H new ATOM 0 HA ALA A 62 12.638 -6.396 2.408 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.285 -5.996 1.773 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.676 -5.178 3.304 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.571 -4.240 1.796 1.00 0.17 H new ATOM 961 N GLN A 63 13.864 -5.277 0.098 1.00 0.20 N ATOM 962 CA GLN A 63 14.218 -5.244 -1.349 1.00 0.22 C ATOM 963 C GLN A 63 13.670 -6.486 -2.058 1.00 0.20 C ATOM 964 O GLN A 63 13.637 -6.549 -3.271 1.00 0.20 O ATOM 965 CB GLN A 63 15.740 -5.201 -1.491 1.00 0.29 C ATOM 966 CG GLN A 63 16.373 -6.252 -0.577 1.00 0.90 C ATOM 967 CD GLN A 63 17.891 -6.251 -0.775 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.532 -5.226 -0.650 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.498 -7.366 -1.080 1.00 2.22 N ATOM 0 H GLN A 63 14.653 -5.173 0.736 1.00 0.20 H new ATOM 0 HA GLN A 63 13.778 -4.358 -1.806 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.024 -5.388 -2.527 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.111 -4.209 -1.233 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.131 -6.038 0.464 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.967 -7.238 -0.802 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.961 -8.227 -1.185 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.509 -7.376 -1.213 1.00 2.22 H new ATOM 978 N ASP A 64 13.237 -7.471 -1.321 1.00 0.19 N ATOM 979 CA ASP A 64 12.693 -8.694 -1.973 1.00 0.20 C ATOM 980 C ASP A 64 11.341 -8.365 -2.608 1.00 0.17 C ATOM 981 O ASP A 64 11.025 -8.818 -3.690 1.00 0.19 O ATOM 982 CB ASP A 64 12.512 -9.793 -0.922 1.00 0.22 C ATOM 983 CG ASP A 64 11.882 -9.198 0.338 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.566 -8.461 1.027 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.724 -9.489 0.591 1.00 1.09 O ATOM 0 H ASP A 64 13.236 -7.482 -0.301 1.00 0.19 H new ATOM 0 HA ASP A 64 13.384 -9.040 -2.742 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.879 -10.587 -1.317 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.475 -10.243 -0.682 1.00 0.22 H new ATOM 990 N VAL A 65 10.546 -7.573 -1.946 1.00 0.15 N ATOM 991 CA VAL A 65 9.222 -7.204 -2.510 1.00 0.16 C ATOM 992 C VAL A 65 9.433 -6.194 -3.637 1.00 0.16 C ATOM 993 O VAL A 65 8.884 -6.323 -4.713 1.00 0.19 O ATOM 994 CB VAL A 65 8.360 -6.582 -1.409 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.904 -6.524 -1.872 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.459 -7.437 -0.142 1.00 0.18 C ATOM 0 H VAL A 65 10.758 -7.165 -1.036 1.00 0.15 H new ATOM 0 HA VAL A 65 8.719 -8.089 -2.900 1.00 0.16 H new ATOM 0 HB VAL A 65 8.713 -5.573 -1.197 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.290 -6.081 -1.088 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.833 -5.917 -2.775 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.549 -7.533 -2.084 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.846 -6.996 0.644 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.105 -8.446 -0.355 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.497 -7.479 0.188 1.00 0.18 H new ATOM 1006 N ALA A 66 10.235 -5.193 -3.397 1.00 0.16 N ATOM 1007 CA ALA A 66 10.498 -4.176 -4.454 1.00 0.18 C ATOM 1008 C ALA A 66 11.188 -4.854 -5.638 1.00 0.19 C ATOM 1009 O ALA A 66 10.997 -4.480 -6.779 1.00 0.20 O ATOM 1010 CB ALA A 66 11.408 -3.083 -3.892 1.00 0.22 C ATOM 0 H ALA A 66 10.720 -5.035 -2.514 1.00 0.16 H new ATOM 0 HA ALA A 66 9.558 -3.732 -4.781 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.601 -2.338 -4.664 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.921 -2.606 -3.041 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.351 -3.525 -3.570 1.00 0.22 H new ATOM 1016 N SER A 67 11.989 -5.852 -5.375 1.00 0.21 N ATOM 1017 CA SER A 67 12.690 -6.556 -6.484 1.00 0.26 C ATOM 1018 C SER A 67 11.654 -7.232 -7.383 1.00 0.26 C ATOM 1019 O SER A 67 11.694 -7.113 -8.592 1.00 0.29 O ATOM 1020 CB SER A 67 13.631 -7.612 -5.905 1.00 0.31 C ATOM 1021 OG SER A 67 14.764 -6.968 -5.337 1.00 1.29 O ATOM 0 H SER A 67 12.187 -6.209 -4.440 1.00 0.21 H new ATOM 0 HA SER A 67 13.269 -5.839 -7.066 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.114 -8.200 -5.147 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.945 -8.304 -6.686 1.00 0.31 H new ATOM 0 HG SER A 67 14.479 -6.408 -4.585 1.00 1.29 H new ATOM 1027 N GLU A 68 10.723 -7.937 -6.802 1.00 0.26 N ATOM 1028 CA GLU A 68 9.683 -8.618 -7.620 1.00 0.30 C ATOM 1029 C GLU A 68 8.848 -7.566 -8.354 1.00 0.31 C ATOM 1030 O GLU A 68 8.484 -7.740 -9.501 1.00 0.36 O ATOM 1031 CB GLU A 68 8.775 -9.443 -6.706 1.00 0.31 C ATOM 1032 CG GLU A 68 7.863 -10.331 -7.556 1.00 0.39 C ATOM 1033 CD GLU A 68 6.899 -11.092 -6.644 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.535 -10.550 -5.614 1.00 2.20 O ATOM 1035 OE2 GLU A 68 6.540 -12.205 -6.993 1.00 2.19 O ATOM 0 H GLU A 68 10.638 -8.071 -5.794 1.00 0.26 H new ATOM 0 HA GLU A 68 10.161 -9.276 -8.345 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.377 -10.058 -6.037 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.176 -8.783 -6.079 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.304 -9.722 -8.267 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.460 -11.033 -8.138 1.00 0.39 H new ATOM 1042 N ALA A 69 8.541 -6.474 -7.703 1.00 0.29 N ATOM 1043 CA ALA A 69 7.727 -5.410 -8.366 1.00 0.31 C ATOM 1044 C ALA A 69 8.654 -4.450 -9.118 1.00 0.29 C ATOM 1045 O ALA A 69 8.209 -3.556 -9.811 1.00 0.33 O ATOM 1046 CB ALA A 69 6.943 -4.635 -7.306 1.00 0.31 C ATOM 0 H ALA A 69 8.818 -6.272 -6.742 1.00 0.29 H new ATOM 0 HA ALA A 69 7.033 -5.869 -9.070 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.349 -3.859 -7.788 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.283 -5.317 -6.771 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.638 -4.176 -6.603 1.00 0.31 H new ATOM 1052 N GLU A 70 9.939 -4.632 -8.988 1.00 0.27 N ATOM 1053 CA GLU A 70 10.899 -3.738 -9.697 1.00 0.29 C ATOM 1054 C GLU A 70 10.513 -2.271 -9.482 1.00 0.25 C ATOM 1055 O GLU A 70 10.302 -1.532 -10.425 1.00 0.26 O ATOM 1056 CB GLU A 70 10.879 -4.055 -11.195 1.00 0.38 C ATOM 1057 CG GLU A 70 11.176 -5.541 -11.406 1.00 1.18 C ATOM 1058 CD GLU A 70 11.467 -5.800 -12.886 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.958 -5.056 -13.708 1.00 2.34 O ATOM 1060 OE2 GLU A 70 12.194 -6.737 -13.172 1.00 2.06 O ATOM 0 H GLU A 70 10.367 -5.363 -8.420 1.00 0.27 H new ATOM 0 HA GLU A 70 11.900 -3.904 -9.298 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.906 -3.804 -11.618 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.619 -3.448 -11.716 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.030 -5.842 -10.799 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.327 -6.142 -11.081 1.00 1.18 H new ATOM 1067 N VAL A 71 10.431 -1.838 -8.253 1.00 0.22 N ATOM 1068 CA VAL A 71 10.074 -0.415 -7.983 1.00 0.19 C ATOM 1069 C VAL A 71 11.310 0.460 -8.206 1.00 0.23 C ATOM 1070 O VAL A 71 12.383 0.163 -7.718 1.00 0.28 O ATOM 1071 CB VAL A 71 9.599 -0.272 -6.539 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.091 1.151 -6.318 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.460 -1.262 -6.277 1.00 0.19 C ATOM 0 H VAL A 71 10.596 -2.408 -7.424 1.00 0.22 H new ATOM 0 HA VAL A 71 9.275 -0.102 -8.655 1.00 0.19 H new ATOM 0 HB VAL A 71 10.425 -0.479 -5.859 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.750 1.260 -5.288 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.897 1.859 -6.510 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.263 1.351 -6.998 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.120 -1.161 -5.246 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.632 -1.052 -6.954 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.816 -2.279 -6.444 1.00 0.19 H new ATOM 1083 N LYS A 72 11.170 1.534 -8.949 1.00 0.24 N ATOM 1084 CA LYS A 72 12.336 2.438 -9.224 1.00 0.29 C ATOM 1085 C LYS A 72 11.986 3.872 -8.816 1.00 0.26 C ATOM 1086 O LYS A 72 12.754 4.790 -9.025 1.00 0.27 O ATOM 1087 CB LYS A 72 12.658 2.406 -10.720 1.00 0.35 C ATOM 1088 CG LYS A 72 13.185 1.021 -11.101 1.00 0.43 C ATOM 1089 CD LYS A 72 13.367 0.946 -12.618 1.00 1.16 C ATOM 1090 CE LYS A 72 14.100 -0.347 -12.982 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.357 -0.376 -14.450 1.00 2.40 N ATOM 0 H LYS A 72 10.292 1.825 -9.380 1.00 0.24 H new ATOM 0 HA LYS A 72 13.199 2.098 -8.651 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.765 2.639 -11.300 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.400 3.167 -10.959 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.134 0.830 -10.600 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.489 0.251 -10.769 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.396 0.978 -13.113 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.933 1.809 -12.970 1.00 1.16 H new ATOM 0 HE2 LYS A 72 15.041 -0.410 -12.436 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.503 -1.211 -12.689 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.855 -1.255 -14.698 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.453 -0.335 -14.962 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.943 0.441 -14.716 1.00 2.40 H new ATOM 1105 N ALA A 73 10.835 4.072 -8.236 1.00 0.22 N ATOM 1106 CA ALA A 73 10.435 5.450 -7.813 1.00 0.20 C ATOM 1107 C ALA A 73 9.481 5.347 -6.625 1.00 0.18 C ATOM 1108 O ALA A 73 8.524 4.612 -6.672 1.00 0.16 O ATOM 1109 CB ALA A 73 9.719 6.156 -8.977 1.00 0.21 C ATOM 0 H ALA A 73 10.151 3.342 -8.035 1.00 0.22 H new ATOM 0 HA ALA A 73 11.320 6.020 -7.532 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.427 7.160 -8.669 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.391 6.220 -9.833 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.830 5.589 -9.255 1.00 0.21 H new ATOM 1115 N THR A 74 9.725 6.086 -5.567 1.00 0.18 N ATOM 1116 CA THR A 74 8.809 6.035 -4.378 1.00 0.17 C ATOM 1117 C THR A 74 8.163 7.419 -4.207 1.00 0.17 C ATOM 1118 O THR A 74 8.782 8.411 -4.536 1.00 0.19 O ATOM 1119 CB THR A 74 9.619 5.706 -3.107 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.742 6.568 -3.032 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.115 4.245 -3.116 1.00 0.19 C ATOM 0 H THR A 74 10.517 6.722 -5.474 1.00 0.18 H new ATOM 0 HA THR A 74 8.049 5.268 -4.530 1.00 0.17 H new ATOM 0 HB THR A 74 8.966 5.845 -2.245 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.258 6.363 -2.225 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.682 4.048 -2.206 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.260 3.571 -3.164 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.754 4.083 -3.984 1.00 0.19 H new ATOM 1129 N PRO A 75 6.954 7.478 -3.679 1.00 0.17 N ATOM 1130 CA PRO A 75 6.149 6.305 -3.258 1.00 0.16 C ATOM 1131 C PRO A 75 5.481 5.657 -4.480 1.00 0.14 C ATOM 1132 O PRO A 75 5.054 6.338 -5.391 1.00 0.14 O ATOM 1133 CB PRO A 75 5.077 6.903 -2.318 1.00 0.17 C ATOM 1134 CG PRO A 75 5.118 8.449 -2.504 1.00 0.20 C ATOM 1135 CD PRO A 75 6.304 8.774 -3.435 1.00 0.19 C ATOM 0 HA PRO A 75 6.748 5.532 -2.776 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.089 6.512 -2.561 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.280 6.634 -1.281 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.183 8.808 -2.935 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.238 8.948 -1.542 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.964 9.228 -4.366 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.991 9.480 -2.969 1.00 0.19 H new ATOM 1143 N THR A 76 5.360 4.347 -4.488 1.00 0.13 N ATOM 1144 CA THR A 76 4.685 3.652 -5.635 1.00 0.12 C ATOM 1145 C THR A 76 3.428 2.982 -5.101 1.00 0.12 C ATOM 1146 O THR A 76 3.503 2.070 -4.304 1.00 0.18 O ATOM 1147 CB THR A 76 5.606 2.570 -6.234 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.939 3.038 -6.226 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.187 2.270 -7.679 1.00 0.13 C ATOM 0 H THR A 76 5.699 3.730 -3.750 1.00 0.13 H new ATOM 0 HA THR A 76 4.449 4.379 -6.412 1.00 0.12 H new ATOM 0 HB THR A 76 5.527 1.660 -5.639 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.987 3.898 -6.693 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.842 1.505 -8.096 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.157 1.913 -7.693 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.264 3.179 -8.276 1.00 0.13 H new ATOM 1157 N PHE A 77 2.273 3.411 -5.522 1.00 0.09 N ATOM 1158 CA PHE A 77 1.028 2.764 -5.013 1.00 0.09 C ATOM 1159 C PHE A 77 0.646 1.627 -5.941 1.00 0.09 C ATOM 1160 O PHE A 77 0.485 1.801 -7.133 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.110 3.778 -4.946 1.00 0.10 C ATOM 1162 CG PHE A 77 0.179 4.745 -3.834 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.094 4.374 -2.504 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.722 6.012 -4.121 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.177 5.277 -1.456 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.993 6.914 -3.077 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.722 6.550 -1.745 1.00 0.12 C ATOM 0 H PHE A 77 2.134 4.171 -6.188 1.00 0.09 H new ATOM 0 HA PHE A 77 1.209 2.379 -4.009 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.202 4.308 -5.894 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.059 3.271 -4.771 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.510 3.401 -2.287 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.930 6.291 -5.143 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.031 4.997 -0.434 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.409 7.886 -3.297 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.930 7.243 -0.943 1.00 0.12 H new ATOM 1177 N GLN A 78 0.504 0.456 -5.389 1.00 0.07 N ATOM 1178 CA GLN A 78 0.134 -0.736 -6.195 1.00 0.07 C ATOM 1179 C GLN A 78 -1.164 -1.300 -5.632 1.00 0.06 C ATOM 1180 O GLN A 78 -1.348 -1.375 -4.432 1.00 0.07 O ATOM 1181 CB GLN A 78 1.257 -1.769 -6.083 1.00 0.08 C ATOM 1182 CG GLN A 78 2.595 -1.112 -6.440 1.00 0.12 C ATOM 1183 CD GLN A 78 3.619 -2.188 -6.814 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.718 -2.205 -6.297 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.300 -3.096 -7.697 1.00 1.03 N ATOM 0 H GLN A 78 0.632 0.273 -4.394 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.005 -0.477 -7.245 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.296 -2.171 -5.071 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.062 -2.608 -6.751 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.460 -0.421 -7.272 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.960 -0.528 -5.596 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.377 -3.083 -8.132 1.00 1.03 H new ATOM 0 HE22 GLN A 78 3.973 -3.818 -7.952 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.080 -1.665 -6.487 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.398 -2.192 -6.017 1.00 0.07 C ATOM 1196 C PHE A 79 -3.511 -3.677 -6.340 1.00 0.07 C ATOM 1197 O PHE A 79 -3.301 -4.099 -7.460 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.517 -1.423 -6.726 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.486 0.022 -6.275 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.423 0.855 -6.662 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.506 0.529 -5.457 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.377 2.195 -6.238 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.464 1.867 -5.022 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.401 2.701 -5.414 1.00 0.11 C ATOM 0 H PHE A 79 -1.973 -1.621 -7.500 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.482 -2.061 -4.938 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.388 -1.483 -7.807 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.485 -1.869 -6.495 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.636 0.464 -7.289 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.326 -0.109 -5.160 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.561 2.833 -6.543 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.248 2.253 -4.387 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.370 3.729 -5.083 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.849 -4.468 -5.355 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.995 -5.939 -5.563 1.00 0.08 C ATOM 1216 C PHE A 80 -5.369 -6.370 -5.057 1.00 0.11 C ATOM 1217 O PHE A 80 -6.006 -5.674 -4.291 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.912 -6.683 -4.775 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.568 -6.495 -5.441 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.147 -7.384 -6.451 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.730 -5.435 -5.045 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.112 -7.210 -7.061 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.525 -5.262 -5.655 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.949 -6.148 -6.661 1.00 0.14 C ATOM 0 H PHE A 80 -4.032 -4.152 -4.403 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.892 -6.173 -6.623 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.875 -6.311 -3.751 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.155 -7.744 -4.720 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.788 -8.197 -6.757 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.052 -4.754 -4.271 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.436 -7.890 -7.835 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.165 -4.447 -5.350 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.914 -6.015 -7.127 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.831 -7.511 -5.478 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.166 -7.990 -5.026 1.00 0.14 C ATOM 1236 C LYS A 81 -7.183 -9.513 -5.139 1.00 0.14 C ATOM 1237 O LYS A 81 -6.861 -10.060 -6.172 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.254 -7.372 -5.919 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.612 -7.406 -5.203 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.634 -6.580 -5.995 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.880 -6.352 -5.138 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.429 -7.665 -4.696 1.00 1.48 N ATOM 0 H LYS A 81 -5.341 -8.136 -6.118 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.358 -7.696 -3.994 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.991 -6.343 -6.166 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.317 -7.920 -6.859 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.958 -8.435 -5.107 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.512 -7.008 -4.193 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.199 -5.624 -6.284 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.902 -7.099 -6.915 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.631 -5.740 -4.271 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.631 -5.806 -5.708 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.468 -7.618 -4.678 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.127 -8.408 -5.358 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.076 -7.886 -3.743 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.533 -10.200 -4.084 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.547 -11.690 -4.135 1.00 0.20 C ATOM 1258 C LYS A 82 -6.158 -12.206 -4.533 1.00 0.20 C ATOM 1259 O LYS A 82 -5.979 -13.379 -4.794 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.591 -12.174 -5.157 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.989 -12.146 -4.532 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.038 -12.326 -5.632 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.440 -12.248 -5.024 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.453 -12.573 -6.069 1.00 1.67 N ATOM 0 H LYS A 82 -7.809 -9.794 -3.190 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.809 -12.076 -3.150 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.567 -11.539 -6.042 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.350 -13.186 -5.484 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.084 -12.938 -3.790 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.149 -11.201 -4.012 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.917 -11.555 -6.393 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.899 -13.287 -6.127 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.526 -12.945 -4.190 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.620 -11.250 -4.625 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.406 -12.520 -5.657 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.376 -11.892 -6.851 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.284 -13.534 -6.429 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.175 -11.343 -4.573 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.790 -11.782 -4.943 1.00 0.21 C ATOM 1280 C GLY A 83 -3.483 -11.396 -6.393 1.00 0.19 C ATOM 1281 O GLY A 83 -2.422 -11.693 -6.907 1.00 0.22 O ATOM 0 H GLY A 83 -5.270 -10.349 -4.365 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.063 -11.320 -4.274 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.697 -12.861 -4.819 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.402 -10.742 -7.058 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.172 -10.335 -8.487 1.00 0.17 C ATOM 1287 C GLN A 84 -3.987 -8.817 -8.576 1.00 0.16 C ATOM 1288 O GLN A 84 -4.543 -8.070 -7.799 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.388 -10.731 -9.324 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.769 -12.180 -9.018 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.557 -13.084 -9.244 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.260 -13.454 -10.363 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.839 -13.456 -8.221 1.00 2.08 N ATOM 0 H GLN A 84 -5.307 -10.469 -6.675 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.277 -10.834 -8.860 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.226 -10.069 -9.103 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.164 -10.619 -10.385 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -6.114 -12.267 -7.988 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.594 -12.493 -9.658 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.089 -13.145 -7.282 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.027 -14.058 -8.360 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.212 -8.357 -9.530 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.991 -6.885 -9.680 1.00 0.17 C ATOM 1304 C LYS A 85 -4.125 -6.283 -10.512 1.00 0.16 C ATOM 1305 O LYS A 85 -4.618 -6.899 -11.436 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.653 -6.635 -10.382 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.457 -5.126 -10.596 1.00 0.25 C ATOM 1308 CD LYS A 85 0.024 -4.822 -10.843 1.00 0.30 C ATOM 1309 CE LYS A 85 0.503 -5.560 -12.096 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.734 -6.996 -11.771 1.00 1.70 N ATOM 0 H LYS A 85 -2.723 -8.938 -10.211 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.974 -6.418 -8.695 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.836 -7.037 -9.783 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.631 -7.154 -11.340 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.053 -4.790 -11.445 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.809 -4.577 -9.722 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.169 -3.749 -10.964 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.616 -5.128 -9.981 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.239 -5.471 -12.889 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.423 -5.108 -12.468 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.593 -7.327 -12.254 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.850 -7.105 -10.743 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.081 -7.559 -12.089 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.553 -5.085 -10.181 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.673 -4.434 -10.939 1.00 0.16 C ATOM 1326 C VAL A 86 -5.281 -3.011 -11.359 1.00 0.18 C ATOM 1327 O VAL A 86 -5.877 -2.440 -12.252 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.918 -4.380 -10.043 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.564 -5.766 -9.982 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.517 -3.951 -8.629 1.00 0.17 C ATOM 0 H VAL A 86 -4.173 -4.528 -9.415 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.883 -5.016 -11.836 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.626 -3.661 -10.456 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.448 -5.728 -9.346 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.853 -6.077 -10.986 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.852 -6.482 -9.571 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.403 -3.914 -7.995 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.807 -4.669 -8.218 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.055 -2.964 -8.665 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.292 -2.426 -10.736 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.895 -1.037 -11.129 1.00 0.18 C ATOM 1342 C GLY A 87 -2.689 -0.572 -10.305 1.00 0.10 C ATOM 1343 O GLY A 87 -2.237 -1.255 -9.407 1.00 0.08 O ATOM 0 H GLY A 87 -3.746 -2.841 -9.981 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.651 -1.009 -12.191 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.732 -0.356 -10.976 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.162 0.590 -10.608 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.985 1.100 -9.846 1.00 0.10 C ATOM 1349 C GLU A 88 -0.643 2.524 -10.289 1.00 0.10 C ATOM 1350 O GLU A 88 -0.925 2.925 -11.402 1.00 0.11 O ATOM 1351 CB GLU A 88 0.217 0.193 -10.103 1.00 0.17 C ATOM 1352 CG GLU A 88 0.346 -0.072 -11.604 1.00 0.25 C ATOM 1353 CD GLU A 88 1.679 -0.765 -11.889 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.322 -1.181 -10.940 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.035 -0.867 -13.051 1.00 2.04 O ATOM 0 H GLU A 88 -2.497 1.205 -11.350 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.228 1.105 -8.783 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.126 0.661 -9.726 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.097 -0.748 -9.566 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.480 -0.695 -11.946 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.287 0.866 -12.156 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.011 3.285 -9.432 1.00 0.09 N ATOM 1363 CA PHE A 89 0.372 4.675 -9.815 1.00 0.09 C ATOM 1364 C PHE A 89 1.328 5.273 -8.774 1.00 0.09 C ATOM 1365 O PHE A 89 1.090 5.212 -7.587 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.879 5.563 -9.981 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.429 6.015 -8.640 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.766 7.019 -7.899 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.617 5.447 -8.141 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.290 7.444 -6.666 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.140 5.876 -6.907 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.477 6.875 -6.169 1.00 0.11 C ATOM 0 H PHE A 89 0.255 3.004 -8.488 1.00 0.09 H new ATOM 0 HA PHE A 89 0.888 4.636 -10.775 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.628 6.436 -10.584 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.648 5.011 -10.522 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.143 7.460 -8.280 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.127 4.681 -8.706 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.780 8.209 -6.099 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.051 5.438 -6.526 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.879 7.204 -5.222 1.00 0.11 H new ATOM 1382 N SER A 90 2.415 5.858 -9.220 1.00 0.13 N ATOM 1383 CA SER A 90 3.400 6.477 -8.274 1.00 0.14 C ATOM 1384 C SER A 90 3.205 7.995 -8.275 1.00 0.14 C ATOM 1385 O SER A 90 2.195 8.498 -8.723 1.00 0.17 O ATOM 1386 CB SER A 90 4.821 6.145 -8.733 1.00 0.15 C ATOM 1387 OG SER A 90 5.196 7.037 -9.774 1.00 0.16 O ATOM 0 H SER A 90 2.664 5.934 -10.206 1.00 0.13 H new ATOM 0 HA SER A 90 3.244 6.086 -7.268 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.515 6.230 -7.897 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.871 5.115 -9.085 1.00 0.15 H new ATOM 0 HG SER A 90 5.787 7.731 -9.413 1.00 0.16 H new ATOM 1393 N GLY A 91 4.160 8.732 -7.776 1.00 0.12 N ATOM 1394 CA GLY A 91 4.016 10.220 -7.747 1.00 0.13 C ATOM 1395 C GLY A 91 3.223 10.622 -6.505 1.00 0.13 C ATOM 1396 O GLY A 91 2.133 10.139 -6.271 1.00 0.13 O ATOM 0 H GLY A 91 5.032 8.372 -7.388 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.998 10.693 -7.735 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.507 10.566 -8.646 1.00 0.13 H new ATOM 1400 N ALA A 92 3.765 11.489 -5.695 1.00 0.15 N ATOM 1401 CA ALA A 92 3.035 11.900 -4.458 1.00 0.17 C ATOM 1402 C ALA A 92 1.632 12.415 -4.802 1.00 0.15 C ATOM 1403 O ALA A 92 1.447 13.567 -5.139 1.00 0.16 O ATOM 1404 CB ALA A 92 3.818 13.006 -3.736 1.00 0.20 C ATOM 0 H ALA A 92 4.675 11.929 -5.832 1.00 0.15 H new ATOM 0 HA ALA A 92 2.942 11.029 -3.809 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.282 13.302 -2.835 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.806 12.634 -3.465 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.923 13.867 -4.396 1.00 0.20 H new ATOM 1410 N ASN A 93 0.638 11.574 -4.681 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.767 12.008 -4.958 1.00 0.13 C ATOM 1412 C ASN A 93 -1.683 11.334 -3.934 1.00 0.12 C ATOM 1413 O ASN A 93 -2.369 10.376 -4.228 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.177 11.603 -6.379 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.370 12.453 -6.822 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.341 12.579 -6.102 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.337 13.049 -7.980 1.00 1.15 N ATOM 0 H ASN A 93 0.738 10.598 -4.400 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.847 13.092 -4.879 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.341 11.743 -7.065 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.439 10.545 -6.407 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.126 13.621 -8.282 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.522 12.944 -8.585 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.679 11.821 -2.725 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.524 11.208 -1.662 1.00 0.20 C ATOM 1426 C LYS A 94 -4.009 11.355 -2.003 1.00 0.18 C ATOM 1427 O LYS A 94 -4.809 10.490 -1.705 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.234 11.891 -0.316 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.121 13.428 -0.502 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.642 13.856 -0.596 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.041 13.999 0.808 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.332 14.569 0.704 1.00 1.19 N ATOM 0 H LYS A 94 -1.123 12.622 -2.425 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.285 10.147 -1.595 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.029 11.662 0.394 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.308 11.500 0.105 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.651 13.730 -1.405 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.600 13.937 0.334 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.078 13.119 -1.167 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.563 14.802 -1.131 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.670 14.646 1.420 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.007 13.028 1.301 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.828 14.448 1.610 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.857 14.075 -0.046 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.271 15.582 0.475 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.391 12.440 -2.615 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.825 12.630 -2.956 1.00 0.20 C ATOM 1448 C GLU A 95 -6.250 11.578 -3.981 1.00 0.17 C ATOM 1449 O GLU A 95 -7.399 11.186 -4.045 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.016 14.025 -3.551 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.601 15.082 -2.524 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.672 15.188 -1.438 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.623 15.927 -1.640 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.525 14.530 -0.421 1.00 1.86 O ATOM 0 H GLU A 95 -3.772 13.202 -2.893 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.433 12.525 -2.058 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.419 14.130 -4.457 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.058 14.170 -3.837 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.642 14.815 -2.079 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.468 16.047 -3.013 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.333 11.118 -4.784 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.676 10.095 -5.807 1.00 0.14 C ATOM 1463 C LYS A 96 -6.007 8.770 -5.121 1.00 0.12 C ATOM 1464 O LYS A 96 -6.852 8.030 -5.577 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.498 9.906 -6.766 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.814 8.783 -7.760 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.747 8.742 -8.866 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.953 9.890 -9.867 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.286 9.547 -11.154 1.00 2.05 N ATOM 0 H LYS A 96 -4.355 11.409 -4.775 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.545 10.430 -6.373 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.301 10.834 -7.302 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.595 9.664 -6.205 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.848 7.825 -7.240 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.799 8.942 -8.199 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.754 8.814 -8.422 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.794 7.786 -9.388 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.017 10.059 -10.030 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.541 10.816 -9.466 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.424 10.322 -11.834 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.269 9.406 -10.991 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.700 8.673 -11.537 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.356 8.453 -4.030 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.669 7.161 -3.352 1.00 0.11 C ATOM 1485 C LEU A 97 -7.174 7.082 -3.114 1.00 0.11 C ATOM 1486 O LEU A 97 -7.764 6.022 -3.154 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.939 7.062 -1.999 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.429 7.290 -2.172 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.805 7.629 -0.813 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.753 6.024 -2.721 1.00 0.13 C ATOM 0 H LEU A 97 -4.635 9.022 -3.587 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.337 6.340 -3.987 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.345 7.800 -1.307 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.114 6.081 -1.558 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.281 8.111 -2.873 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.734 7.791 -0.935 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.266 8.534 -0.416 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.971 6.804 -0.120 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.684 6.204 -2.837 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.909 5.198 -2.027 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.186 5.771 -3.689 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.800 8.197 -2.874 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.271 8.179 -2.641 1.00 0.14 C ATOM 1504 C GLU A 98 -9.986 7.812 -3.945 1.00 0.13 C ATOM 1505 O GLU A 98 -10.782 6.894 -3.994 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.733 9.563 -2.171 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.228 9.527 -1.826 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.061 9.619 -3.108 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.252 10.726 -3.586 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.490 8.584 -3.588 1.00 2.15 O ATOM 0 H GLU A 98 -7.361 9.117 -2.829 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.511 7.441 -1.875 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.157 9.871 -1.298 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.549 10.302 -2.951 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.465 8.606 -1.293 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.477 10.354 -1.160 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.712 8.531 -4.999 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.373 8.245 -6.307 1.00 0.14 C ATOM 1519 C ALA A 99 -10.038 6.827 -6.786 1.00 0.12 C ATOM 1520 O ALA A 99 -10.889 6.120 -7.285 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.887 9.255 -7.347 1.00 0.15 C ATOM 0 H ALA A 99 -9.054 9.310 -5.011 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.452 8.325 -6.179 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.367 9.051 -8.304 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.142 10.264 -7.021 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.806 9.172 -7.458 1.00 0.15 H new ATOM 1527 N THR A 100 -8.807 6.411 -6.653 1.00 0.11 N ATOM 1528 CA THR A 100 -8.427 5.044 -7.121 1.00 0.11 C ATOM 1529 C THR A 100 -9.132 3.989 -6.267 1.00 0.10 C ATOM 1530 O THR A 100 -9.667 3.024 -6.775 1.00 0.11 O ATOM 1531 CB THR A 100 -6.911 4.867 -7.006 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.262 6.001 -7.562 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.485 3.609 -7.764 1.00 0.12 C ATOM 0 H THR A 100 -8.049 6.956 -6.242 1.00 0.11 H new ATOM 0 HA THR A 100 -8.729 4.924 -8.161 1.00 0.11 H new ATOM 0 HB THR A 100 -6.633 4.767 -5.957 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.297 5.838 -7.603 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.405 3.483 -7.682 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.985 2.740 -7.337 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.760 3.706 -8.814 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.140 4.166 -4.978 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.816 3.175 -4.094 1.00 0.11 C ATOM 1543 C ILE A 101 -11.307 3.130 -4.450 1.00 0.13 C ATOM 1544 O ILE A 101 -11.864 2.081 -4.697 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.632 3.601 -2.626 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.176 3.327 -2.201 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.589 2.809 -1.724 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.830 4.091 -0.913 1.00 0.18 C ATOM 0 H ILE A 101 -8.708 4.954 -4.496 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.383 2.185 -4.233 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.853 4.664 -2.527 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.033 2.258 -2.044 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.497 3.626 -3.000 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.451 3.117 -0.688 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.618 3.003 -2.027 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.378 1.744 -1.816 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.798 3.882 -0.632 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.951 5.161 -1.081 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.496 3.772 -0.111 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.952 4.263 -4.476 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.405 4.291 -4.812 1.00 0.17 C ATOM 1562 C ASN A 102 -13.624 3.725 -6.217 1.00 0.18 C ATOM 1563 O ASN A 102 -14.727 3.381 -6.593 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.902 5.738 -4.764 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.370 5.791 -5.191 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.121 4.869 -4.943 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -15.815 6.842 -5.825 1.00 1.03 N ATOM 0 H ASN A 102 -11.536 5.173 -4.279 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.956 3.685 -4.092 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.791 6.138 -3.756 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.298 6.362 -5.423 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -16.793 6.889 -6.112 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.185 7.617 -6.034 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.584 3.634 -6.998 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.732 3.102 -8.382 1.00 0.18 C ATOM 1576 C GLU A 103 -12.865 1.574 -8.355 1.00 0.19 C ATOM 1577 O GLU A 103 -13.810 1.013 -8.874 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.496 3.492 -9.204 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.820 3.406 -10.700 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.746 4.560 -11.090 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.282 5.688 -11.103 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.903 4.295 -11.370 1.00 2.01 O ATOM 0 H GLU A 103 -11.636 3.906 -6.737 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.630 3.525 -8.833 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.182 4.504 -8.948 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.664 2.830 -8.964 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.901 3.450 -11.285 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.296 2.452 -10.925 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.910 0.897 -7.773 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.954 -0.597 -7.729 1.00 0.19 C ATOM 1591 C LEU A 104 -12.606 -1.079 -6.428 1.00 0.19 C ATOM 1592 O LEU A 104 -12.533 -2.243 -6.087 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.519 -1.132 -7.811 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.854 -0.659 -9.119 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.332 -0.744 -8.978 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.302 -1.545 -10.292 1.00 0.35 C ATOM 0 H LEU A 104 -11.096 1.316 -7.323 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.545 -0.965 -8.568 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.943 -0.784 -6.954 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.525 -2.221 -7.770 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.152 0.371 -9.313 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.862 -0.410 -9.903 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.007 -0.108 -8.155 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.042 -1.775 -8.776 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.826 -1.201 -11.210 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.014 -2.578 -10.098 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.385 -1.485 -10.400 1.00 0.35 H new ATOM 1672 N PHE B 3 19.460 2.831 1.720 1.00 0.00 N ATOM 1673 CA PHE B 3 19.240 3.708 0.524 1.00 0.00 C ATOM 1674 C PHE B 3 18.971 2.836 -0.706 1.00 0.00 C ATOM 1675 O PHE B 3 19.378 1.693 -0.765 1.00 0.00 O ATOM 1676 CB PHE B 3 20.495 4.550 0.278 1.00 0.00 C ATOM 1677 CG PHE B 3 20.549 5.689 1.269 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.910 5.443 2.608 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.241 6.998 0.853 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.964 6.506 3.529 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.294 8.061 1.774 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.656 7.815 3.113 1.00 0.00 C ATOM 0 HA PHE B 3 18.386 4.361 0.703 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.386 3.929 0.375 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.488 4.941 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.145 4.439 2.928 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.964 7.187 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.242 6.317 4.555 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.057 9.065 1.454 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.697 8.630 3.820 1.00 0.00 H new ATOM 1692 N ARG B 4 18.294 3.366 -1.695 1.00 0.00 N ATOM 1693 CA ARG B 4 18.013 2.562 -2.925 1.00 0.00 C ATOM 1694 C ARG B 4 17.911 3.507 -4.140 1.00 0.00 C ATOM 1695 O ARG B 4 18.897 3.755 -4.806 1.00 0.00 O ATOM 1696 CB ARG B 4 16.705 1.750 -2.715 1.00 0.00 C ATOM 1697 CG ARG B 4 16.972 0.234 -2.841 1.00 0.00 C ATOM 1698 CD ARG B 4 17.662 -0.093 -4.188 1.00 0.00 C ATOM 1699 NE ARG B 4 16.977 -1.254 -4.841 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.731 -2.351 -4.179 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.162 -2.487 -2.957 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.076 -3.324 -4.750 1.00 0.00 N ATOM 0 H ARG B 4 17.925 4.317 -1.704 1.00 0.00 H new ATOM 0 HA ARG B 4 18.822 1.857 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.290 1.970 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.961 2.055 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.601 -0.099 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.032 -0.313 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.629 0.777 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.714 -0.326 -4.021 1.00 0.00 H new ATOM 0 HE ARG B 4 16.698 -1.186 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.692 -1.735 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.969 -3.345 -2.441 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.756 -3.227 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.884 -4.182 -4.233 1.00 0.00 H new ATOM 1716 N TYR B 5 16.739 4.041 -4.435 1.00 0.00 N ATOM 1717 CA TYR B 5 16.598 4.978 -5.610 1.00 0.00 C ATOM 1718 C TYR B 5 15.997 6.319 -5.164 1.00 0.00 C ATOM 1719 O TYR B 5 15.891 6.609 -3.988 1.00 0.00 O ATOM 1720 CB TYR B 5 15.737 4.341 -6.721 1.00 0.00 C ATOM 1721 CG TYR B 5 14.587 3.550 -6.150 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.785 2.222 -5.728 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.310 4.127 -6.073 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.706 1.475 -5.219 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.231 3.382 -5.571 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.427 2.055 -5.141 1.00 0.00 C ATOM 1727 OH TYR B 5 11.367 1.325 -4.645 1.00 0.00 O ATOM 0 H TYR B 5 15.878 3.869 -3.916 1.00 0.00 H new ATOM 0 HA TYR B 5 17.593 5.164 -6.015 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.352 5.122 -7.376 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.359 3.689 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.766 1.776 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.157 5.145 -6.400 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.860 0.458 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.249 3.827 -5.514 1.00 0.00 H new ATOM 0 HH TYR B 5 11.675 0.429 -4.395 1.00 0.00 H new ATOM 1737 N VAL B 6 15.654 7.157 -6.110 1.00 0.00 N ATOM 1738 CA VAL B 6 15.113 8.513 -5.779 1.00 0.00 C ATOM 1739 C VAL B 6 13.664 8.454 -5.286 1.00 0.00 C ATOM 1740 O VAL B 6 12.875 7.630 -5.705 1.00 0.00 O ATOM 1741 CB VAL B 6 15.166 9.386 -7.037 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.088 10.862 -6.646 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.474 9.126 -7.777 1.00 0.00 C ATOM 0 H VAL B 6 15.726 6.958 -7.108 1.00 0.00 H new ATOM 0 HA VAL B 6 15.724 8.929 -4.978 1.00 0.00 H new ATOM 0 HB VAL B 6 14.323 9.140 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.126 11.479 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.154 11.049 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.928 11.112 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.515 9.746 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.314 9.371 -7.128 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.529 8.075 -8.060 1.00 0.00 H new ATOM 1753 N CYS B 7 13.311 9.364 -4.408 1.00 0.00 N ATOM 1754 CA CYS B 7 11.915 9.427 -3.884 1.00 0.00 C ATOM 1755 C CYS B 7 11.161 10.551 -4.592 1.00 0.00 C ATOM 1756 O CYS B 7 11.232 11.699 -4.201 1.00 0.00 O ATOM 1757 CB CYS B 7 11.931 9.698 -2.375 1.00 0.00 C ATOM 1758 SG CYS B 7 13.207 8.691 -1.581 1.00 0.00 S ATOM 0 H CYS B 7 13.940 10.072 -4.030 1.00 0.00 H new ATOM 0 HA CYS B 7 11.420 8.474 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.122 10.755 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.956 9.469 -1.945 1.00 0.00 H new ATOM 1763 N GLU B 8 10.439 10.236 -5.634 1.00 0.00 N ATOM 1764 CA GLU B 8 9.684 11.304 -6.359 1.00 0.00 C ATOM 1765 C GLU B 8 8.351 11.571 -5.657 1.00 0.00 C ATOM 1766 O GLU B 8 7.298 11.633 -6.274 1.00 0.00 O ATOM 1767 CB GLU B 8 9.432 10.910 -7.827 1.00 0.00 C ATOM 1768 CG GLU B 8 8.985 9.446 -7.952 1.00 0.00 C ATOM 1769 CD GLU B 8 7.536 9.291 -7.490 1.00 0.00 C ATOM 1770 OE1 GLU B 8 7.314 9.259 -6.291 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.674 9.195 -8.346 1.00 0.00 O ATOM 0 H GLU B 8 10.338 9.295 -6.013 1.00 0.00 H new ATOM 0 HA GLU B 8 10.288 12.211 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.669 11.561 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.342 11.064 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.081 9.117 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU B 8 9.635 8.808 -7.353 1.00 0.00 H new ATOM 1778 N GLY B 9 8.391 11.762 -4.370 1.00 0.00 N ATOM 1779 CA GLY B 9 7.141 12.061 -3.627 1.00 0.00 C ATOM 1780 C GLY B 9 6.829 13.557 -3.843 1.00 0.00 C ATOM 1781 O GLY B 9 6.799 13.987 -4.979 1.00 0.00 O ATOM 0 H GLY B 9 9.237 11.724 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.321 11.441 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.262 11.842 -2.566 1.00 0.00 H new ATOM 1785 N PRO B 10 6.625 14.336 -2.790 1.00 0.00 N ATOM 1786 CA PRO B 10 6.357 15.776 -2.968 1.00 0.00 C ATOM 1787 C PRO B 10 7.610 16.468 -3.534 1.00 0.00 C ATOM 1788 O PRO B 10 7.816 17.651 -3.345 1.00 0.00 O ATOM 1789 CB PRO B 10 6.016 16.300 -1.552 1.00 0.00 C ATOM 1790 CG PRO B 10 6.228 15.122 -0.556 1.00 0.00 C ATOM 1791 CD PRO B 10 6.625 13.878 -1.383 1.00 0.00 C ATOM 0 HA PRO B 10 5.545 15.973 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.655 17.143 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.987 16.656 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.007 15.366 0.166 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.317 14.931 0.011 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.607 13.506 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.917 13.063 -1.234 1.00 0.00 H new ATOM 1799 N SER B 11 8.444 15.736 -4.224 1.00 0.00 N ATOM 1800 CA SER B 11 9.681 16.331 -4.801 1.00 0.00 C ATOM 1801 C SER B 11 9.358 16.965 -6.158 1.00 0.00 C ATOM 1802 O SER B 11 10.181 17.628 -6.755 1.00 0.00 O ATOM 1803 CB SER B 11 10.730 15.227 -4.987 1.00 0.00 C ATOM 1804 OG SER B 11 11.905 15.790 -5.558 1.00 0.00 O ATOM 0 H SER B 11 8.318 14.742 -4.413 1.00 0.00 H new ATOM 0 HA SER B 11 10.069 17.096 -4.129 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.963 14.765 -4.028 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.338 14.441 -5.633 1.00 0.00 H new ATOM 0 HG SER B 11 11.659 16.538 -6.142 1.00 0.00 H new