USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 MET CE :methyl -164:sc=-0.00597 (180deg=-0.258) USER MOD Set 1.2: B 50 MET CE :methyl -163:sc=-0.00614 (180deg=-0.258) USER MOD Set 2.1: A 44 GLN :FLIP amide:sc= -3.36! C(o=-12!,f=-9.6!) USER MOD Set 2.2: B 44 GLN :FLIP amide:sc= -6.25! C(o=-12!,f=-9.6!) USER MOD Single : A 1 PHE N :NH3+ 144:sc= 0.977 (180deg=0.321) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.0128 (180deg=-0.19) USER MOD Single : A 9 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0292 (180deg=-0.376) USER MOD Single : A 15 TYR OH : rot -26:sc= 1.05 USER MOD Single : A 16 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-2.8) USER MOD Single : A 17 SER OG : rot -47:sc= 0.274 USER MOD Single : A 18 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.7!) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.273 (180deg=-1.34) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= -0.621 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.265 (180deg=-1.28!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 53 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.27) USER MOD Single : B 1 PHE N :NH3+ 143:sc= 0.906 (180deg=0.346) USER MOD Single : B 7 LYS NZ :NH3+ 168:sc= -0.0225 (180deg=-0.206) USER MOD Single : B 9 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.6!) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.0489 (180deg=-0.403) USER MOD Single : B 15 TYR OH : rot -32:sc= 1.01 USER MOD Single : B 16 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-2.9) USER MOD Single : B 17 SER OG : rot -42:sc= 0.318 USER MOD Single : B 18 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.6!) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.206 (180deg=-1.37) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 71:sc= -0.575 USER MOD Single : B 42 LYS NZ :NH3+ 146:sc= -0.193 (180deg=-1.05) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 53 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.109 -4.828 23.910 1.00 0.00 N ATOM 2 CA PHE A 1 94.910 -4.048 25.164 1.00 0.00 C ATOM 3 C PHE A 1 95.055 -2.559 24.851 1.00 0.00 C ATOM 4 O PHE A 1 96.145 -2.044 24.706 1.00 0.00 O ATOM 5 CB PHE A 1 95.953 -4.475 26.195 1.00 0.00 C ATOM 6 CG PHE A 1 96.075 -5.986 26.187 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.014 -6.778 26.651 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.242 -6.596 25.706 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.123 -8.175 26.637 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.348 -7.993 25.692 1.00 0.00 C ATOM 11 CZ PHE A 1 96.290 -8.781 26.158 1.00 0.00 C ATOM 0 H1 PHE A 1 95.604 -5.716 24.128 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.185 -5.043 23.484 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.677 -4.270 23.241 1.00 0.00 H new ATOM 0 HA PHE A 1 93.916 -4.235 25.569 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.916 -4.020 25.965 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.665 -4.127 27.187 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.113 -6.311 27.019 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.060 -5.989 25.346 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.306 -8.784 26.996 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.247 -8.462 25.321 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.374 -9.858 26.148 1.00 0.00 H new ATOM 23 N LEU A 2 93.951 -1.873 24.725 1.00 0.00 N ATOM 24 CA LEU A 2 93.989 -0.413 24.394 1.00 0.00 C ATOM 25 C LEU A 2 93.805 0.448 25.636 1.00 0.00 C ATOM 26 O LEU A 2 93.025 0.149 26.509 1.00 0.00 O ATOM 27 CB LEU A 2 92.872 -0.085 23.398 1.00 0.00 C ATOM 28 CG LEU A 2 93.064 -0.875 22.097 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.878 -0.598 21.166 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.375 -0.449 21.408 1.00 0.00 C ATOM 0 H LEU A 2 93.015 -2.262 24.838 1.00 0.00 H new ATOM 0 HA LEU A 2 94.966 -0.195 23.962 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.903 -0.325 23.837 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.869 0.984 23.184 1.00 0.00 H new ATOM 0 HG LEU A 2 93.117 -1.940 22.323 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.006 -1.156 20.238 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.953 -0.909 21.652 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.830 0.468 20.945 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.502 -1.016 20.486 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.336 0.616 21.177 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.216 -0.645 22.073 1.00 0.00 H new ATOM 42 N ASP A 3 94.510 1.541 25.696 1.00 0.00 N ATOM 43 CA ASP A 3 94.371 2.461 26.857 1.00 0.00 C ATOM 44 C ASP A 3 92.920 2.936 26.920 1.00 0.00 C ATOM 45 O ASP A 3 92.345 3.069 27.982 1.00 0.00 O ATOM 46 CB ASP A 3 95.302 3.665 26.683 1.00 0.00 C ATOM 47 CG ASP A 3 96.753 3.220 26.865 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.960 2.166 27.445 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.635 3.942 26.428 1.00 0.00 O ATOM 0 H ASP A 3 95.180 1.838 24.987 1.00 0.00 H new ATOM 0 HA ASP A 3 94.639 1.944 27.778 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.166 4.103 25.694 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.054 4.438 27.410 1.00 0.00 H new ATOM 54 N GLY A 4 92.319 3.181 25.784 1.00 0.00 N ATOM 55 CA GLY A 4 90.896 3.634 25.768 1.00 0.00 C ATOM 56 C GLY A 4 90.067 2.720 26.676 1.00 0.00 C ATOM 57 O GLY A 4 88.940 3.018 27.019 1.00 0.00 O ATOM 0 H GLY A 4 92.753 3.087 24.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.827 4.667 26.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.505 3.608 24.751 1.00 0.00 H new ATOM 61 N ILE A 5 90.632 1.616 27.081 1.00 0.00 N ATOM 62 CA ILE A 5 89.908 0.679 27.983 1.00 0.00 C ATOM 63 C ILE A 5 89.552 1.410 29.283 1.00 0.00 C ATOM 64 O ILE A 5 88.488 1.225 29.841 1.00 0.00 O ATOM 65 CB ILE A 5 90.811 -0.536 28.267 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.805 -1.468 27.052 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.313 -1.301 29.500 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.918 -2.510 27.198 1.00 0.00 C ATOM 0 H ILE A 5 91.574 1.321 26.822 1.00 0.00 H new ATOM 0 HA ILE A 5 88.987 0.331 27.516 1.00 0.00 H new ATOM 0 HB ILE A 5 91.824 -0.183 28.460 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.838 -1.964 26.966 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.950 -0.892 26.138 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.963 -2.156 29.685 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.326 -0.641 30.367 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.295 -1.650 29.325 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.912 -3.172 26.332 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.882 -2.006 27.263 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.753 -3.094 28.103 1.00 0.00 H new ATOM 80 N ASP A 6 90.429 2.245 29.760 1.00 0.00 N ATOM 81 CA ASP A 6 90.142 2.995 31.015 1.00 0.00 C ATOM 82 C ASP A 6 88.886 3.842 30.810 1.00 0.00 C ATOM 83 O ASP A 6 88.075 3.992 31.703 1.00 0.00 O ATOM 84 CB ASP A 6 91.329 3.906 31.346 1.00 0.00 C ATOM 85 CG ASP A 6 91.058 4.665 32.648 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.907 4.745 33.039 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.013 5.152 33.233 1.00 0.00 O ATOM 0 H ASP A 6 91.335 2.442 29.335 1.00 0.00 H new ATOM 0 HA ASP A 6 89.985 2.297 31.837 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.238 3.312 31.444 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.495 4.611 30.532 1.00 0.00 H new ATOM 92 N LYS A 7 88.717 4.400 29.643 1.00 0.00 N ATOM 93 CA LYS A 7 87.511 5.236 29.391 1.00 0.00 C ATOM 94 C LYS A 7 86.260 4.355 29.448 1.00 0.00 C ATOM 95 O LYS A 7 85.218 4.772 29.913 1.00 0.00 O ATOM 96 CB LYS A 7 87.601 5.885 28.007 1.00 0.00 C ATOM 97 CG LYS A 7 88.835 6.782 27.939 1.00 0.00 C ATOM 98 CD LYS A 7 88.918 7.426 26.554 1.00 0.00 C ATOM 99 CE LYS A 7 90.154 8.327 26.480 1.00 0.00 C ATOM 100 NZ LYS A 7 91.382 7.486 26.448 1.00 0.00 N ATOM 0 H LYS A 7 89.360 4.313 28.856 1.00 0.00 H new ATOM 0 HA LYS A 7 87.455 6.014 30.152 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.656 5.116 27.237 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.703 6.470 27.810 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.781 7.553 28.708 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.734 6.198 28.135 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.971 6.655 25.786 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.018 8.009 26.358 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.107 8.954 25.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.181 8.996 27.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.197 8.072 26.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.546 7.076 27.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.261 6.721 25.754 1.00 0.00 H new ATOM 114 N ALA A 8 86.352 3.145 28.971 1.00 0.00 N ATOM 115 CA ALA A 8 85.165 2.245 28.991 1.00 0.00 C ATOM 116 C ALA A 8 84.694 2.046 30.433 1.00 0.00 C ATOM 117 O ALA A 8 83.515 1.912 30.695 1.00 0.00 O ATOM 118 CB ALA A 8 85.537 0.890 28.385 1.00 0.00 C ATOM 0 H ALA A 8 87.197 2.740 28.568 1.00 0.00 H new ATOM 0 HA ALA A 8 84.363 2.696 28.407 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.667 0.233 28.401 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.867 1.030 27.356 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.342 0.440 28.966 1.00 0.00 H new ATOM 124 N GLN A 9 85.599 2.027 31.375 1.00 0.00 N ATOM 125 CA GLN A 9 85.183 1.841 32.795 1.00 0.00 C ATOM 126 C GLN A 9 84.238 2.975 33.205 1.00 0.00 C ATOM 127 O GLN A 9 83.251 2.761 33.879 1.00 0.00 O ATOM 128 CB GLN A 9 86.421 1.860 33.698 1.00 0.00 C ATOM 129 CG GLN A 9 87.250 0.595 33.472 1.00 0.00 C ATOM 130 CD GLN A 9 88.564 0.707 34.249 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.044 1.795 34.499 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.168 -0.379 34.648 1.00 0.00 N ATOM 0 H GLN A 9 86.602 2.132 31.224 1.00 0.00 H new ATOM 0 HA GLN A 9 84.671 0.885 32.899 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.024 2.743 33.485 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.118 1.925 34.743 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.693 -0.282 33.801 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.453 0.464 32.409 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.766 -1.293 34.439 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.042 -0.314 35.169 1.00 0.00 H new ATOM 141 N GLU A 10 84.535 4.180 32.800 1.00 0.00 N ATOM 142 CA GLU A 10 83.660 5.336 33.159 1.00 0.00 C ATOM 143 C GLU A 10 82.253 5.124 32.592 1.00 0.00 C ATOM 144 O GLU A 10 81.266 5.447 33.223 1.00 0.00 O ATOM 145 CB GLU A 10 84.258 6.624 32.580 1.00 0.00 C ATOM 146 CG GLU A 10 83.415 7.837 32.997 1.00 0.00 C ATOM 147 CD GLU A 10 83.475 8.010 34.516 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.377 7.453 35.120 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.619 8.698 35.048 1.00 0.00 O ATOM 0 H GLU A 10 85.350 4.416 32.233 1.00 0.00 H new ATOM 0 HA GLU A 10 83.597 5.416 34.244 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.283 6.747 32.931 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.299 6.557 31.493 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.785 8.736 32.504 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.382 7.701 32.677 1.00 0.00 H new ATOM 156 N GLU A 11 82.153 4.610 31.395 1.00 0.00 N ATOM 157 CA GLU A 11 80.808 4.408 30.770 1.00 0.00 C ATOM 158 C GLU A 11 80.294 2.995 31.054 1.00 0.00 C ATOM 159 O GLU A 11 79.276 2.583 30.533 1.00 0.00 O ATOM 160 CB GLU A 11 80.912 4.612 29.257 1.00 0.00 C ATOM 161 CG GLU A 11 81.158 6.093 28.958 1.00 0.00 C ATOM 162 CD GLU A 11 81.261 6.298 27.446 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.271 5.308 26.732 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.332 7.442 27.027 1.00 0.00 O ATOM 0 H GLU A 11 82.944 4.320 30.820 1.00 0.00 H new ATOM 0 HA GLU A 11 80.112 5.131 31.196 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.725 4.008 28.853 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.995 4.279 28.770 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.346 6.696 29.363 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.075 6.426 29.444 1.00 0.00 H new ATOM 171 N CYS A 12 80.974 2.248 31.878 1.00 0.00 N ATOM 172 CA CYS A 12 80.497 0.869 32.188 1.00 0.00 C ATOM 173 C CYS A 12 79.016 0.929 32.576 1.00 0.00 C ATOM 174 O CYS A 12 78.202 0.162 32.101 1.00 0.00 O ATOM 175 CB CYS A 12 81.302 0.303 33.360 1.00 0.00 C ATOM 176 SG CYS A 12 80.804 -1.412 33.663 1.00 0.00 S ATOM 0 H CYS A 12 81.834 2.529 32.348 1.00 0.00 H new ATOM 0 HA CYS A 12 80.627 0.230 31.315 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.368 0.350 33.139 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.135 0.905 34.254 1.00 0.00 H new ATOM 181 N GLU A 13 78.671 1.841 33.442 1.00 0.00 N ATOM 182 CA GLU A 13 77.256 1.979 33.884 1.00 0.00 C ATOM 183 C GLU A 13 76.355 2.302 32.687 1.00 0.00 C ATOM 184 O GLU A 13 75.246 1.816 32.587 1.00 0.00 O ATOM 185 CB GLU A 13 77.160 3.107 34.914 1.00 0.00 C ATOM 186 CG GLU A 13 77.841 2.663 36.210 1.00 0.00 C ATOM 187 CD GLU A 13 77.762 3.789 37.240 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.753 3.874 37.921 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.713 4.549 37.332 1.00 0.00 O ATOM 0 H GLU A 13 79.318 2.505 33.867 1.00 0.00 H new ATOM 0 HA GLU A 13 76.927 1.040 34.329 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.636 4.009 34.529 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.116 3.354 35.104 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.358 1.766 36.598 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.882 2.406 36.016 1.00 0.00 H new ATOM 196 N LYS A 14 76.812 3.132 31.789 1.00 0.00 N ATOM 197 CA LYS A 14 75.970 3.498 30.613 1.00 0.00 C ATOM 198 C LYS A 14 75.634 2.245 29.804 1.00 0.00 C ATOM 199 O LYS A 14 74.528 2.088 29.325 1.00 0.00 O ATOM 200 CB LYS A 14 76.727 4.492 29.729 1.00 0.00 C ATOM 201 CG LYS A 14 75.813 4.972 28.595 1.00 0.00 C ATOM 202 CD LYS A 14 76.571 5.971 27.718 1.00 0.00 C ATOM 203 CE LYS A 14 75.650 6.490 26.613 1.00 0.00 C ATOM 204 NZ LYS A 14 75.272 5.368 25.708 1.00 0.00 N ATOM 0 H LYS A 14 77.731 3.573 31.818 1.00 0.00 H new ATOM 0 HA LYS A 14 75.045 3.956 30.964 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.062 5.342 30.324 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.619 4.021 29.316 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.482 4.123 27.996 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.919 5.439 29.007 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.931 6.802 28.325 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.447 5.493 27.280 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.756 6.935 27.050 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.152 7.274 26.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.914 5.752 24.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.106 4.775 25.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.532 4.793 26.159 1.00 0.00 H new ATOM 218 N TYR A 15 76.571 1.350 29.642 1.00 0.00 N ATOM 219 CA TYR A 15 76.286 0.109 28.862 1.00 0.00 C ATOM 220 C TYR A 15 75.665 -0.936 29.790 1.00 0.00 C ATOM 221 O TYR A 15 75.135 -1.936 29.349 1.00 0.00 O ATOM 222 CB TYR A 15 77.586 -0.429 28.260 1.00 0.00 C ATOM 223 CG TYR A 15 78.051 0.507 27.168 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.444 0.463 25.905 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.081 1.423 27.416 1.00 0.00 C ATOM 226 CE1 TYR A 15 77.867 1.332 24.892 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.504 2.294 26.403 1.00 0.00 C ATOM 228 CZ TYR A 15 78.897 2.248 25.141 1.00 0.00 C ATOM 229 OH TYR A 15 79.313 3.105 24.142 1.00 0.00 O ATOM 0 H TYR A 15 77.518 1.423 30.014 1.00 0.00 H new ATOM 0 HA TYR A 15 75.589 0.333 28.054 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.350 -0.515 29.032 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.428 -1.429 27.856 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.649 -0.242 25.713 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.550 1.458 28.388 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.399 1.296 23.919 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.298 3.001 26.595 1.00 0.00 H new ATOM 0 HH TYR A 15 79.120 2.706 23.268 1.00 0.00 H new ATOM 239 N HIS A 16 75.710 -0.696 31.072 1.00 0.00 N ATOM 240 CA HIS A 16 75.105 -1.652 32.042 1.00 0.00 C ATOM 241 C HIS A 16 75.755 -3.032 31.912 1.00 0.00 C ATOM 242 O HIS A 16 76.962 -3.161 31.851 1.00 0.00 O ATOM 243 CB HIS A 16 73.603 -1.763 31.765 1.00 0.00 C ATOM 244 CG HIS A 16 73.043 -0.393 31.494 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.756 0.505 32.513 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.711 0.244 30.326 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.272 1.624 31.941 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.226 1.514 30.612 1.00 0.00 N ATOM 0 H HIS A 16 76.143 0.127 31.492 1.00 0.00 H new ATOM 0 HA HIS A 16 75.271 -1.285 33.055 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.427 -2.416 30.910 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.097 -2.213 32.619 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.811 -0.177 29.336 1.00 0.00 H new ATOM 0 HE1 HIS A 16 71.960 2.501 32.489 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.903 2.215 29.946 1.00 0.00 H new ATOM 257 N SER A 17 74.955 -4.066 31.886 1.00 0.00 N ATOM 258 CA SER A 17 75.502 -5.450 31.780 1.00 0.00 C ATOM 259 C SER A 17 75.700 -5.835 30.309 1.00 0.00 C ATOM 260 O SER A 17 76.120 -6.933 30.001 1.00 0.00 O ATOM 261 CB SER A 17 74.528 -6.425 32.442 1.00 0.00 C ATOM 262 OG SER A 17 75.165 -7.686 32.605 1.00 0.00 O ATOM 0 H SER A 17 73.938 -4.010 31.934 1.00 0.00 H new ATOM 0 HA SER A 17 76.468 -5.493 32.283 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.209 -6.038 33.410 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.632 -6.533 31.831 1.00 0.00 H new ATOM 0 HG SER A 17 75.610 -7.938 31.769 1.00 0.00 H new ATOM 268 N ASN A 18 75.401 -4.949 29.395 1.00 0.00 N ATOM 269 CA ASN A 18 75.579 -5.284 27.951 1.00 0.00 C ATOM 270 C ASN A 18 77.054 -5.119 27.574 1.00 0.00 C ATOM 271 O ASN A 18 77.444 -4.134 26.977 1.00 0.00 O ATOM 272 CB ASN A 18 74.739 -4.328 27.097 1.00 0.00 C ATOM 273 CG ASN A 18 73.252 -4.633 27.288 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.886 -5.720 27.691 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.373 -3.708 27.013 1.00 0.00 N ATOM 0 H ASN A 18 75.043 -4.013 29.584 1.00 0.00 H new ATOM 0 HA ASN A 18 75.261 -6.312 27.775 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.947 -3.296 27.379 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.009 -4.432 26.046 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.378 -3.897 27.136 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.681 -2.796 26.675 1.00 0.00 H new ATOM 282 N TRP A 19 77.880 -6.068 27.924 1.00 0.00 N ATOM 283 CA TRP A 19 79.327 -5.953 27.586 1.00 0.00 C ATOM 284 C TRP A 19 79.527 -6.106 26.073 1.00 0.00 C ATOM 285 O TRP A 19 80.483 -5.607 25.514 1.00 0.00 O ATOM 286 CB TRP A 19 80.124 -7.032 28.324 1.00 0.00 C ATOM 287 CG TRP A 19 79.653 -8.393 27.922 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.722 -9.123 28.579 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.080 -9.200 26.787 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.557 -10.331 27.923 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.370 -10.423 26.810 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.006 -8.991 25.750 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.574 -11.404 25.838 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.213 -9.975 24.770 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.498 -11.179 24.815 1.00 0.00 C ATOM 0 H TRP A 19 77.616 -6.915 28.428 1.00 0.00 H new ATOM 0 HA TRP A 19 79.684 -4.971 27.895 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.185 -6.926 28.100 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.011 -6.904 29.401 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.194 -8.814 29.469 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.914 -11.063 28.225 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.562 -8.066 25.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.021 -12.331 25.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.927 -9.803 23.978 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.661 -11.933 24.059 1.00 0.00 H new ATOM 306 N ARG A 20 78.640 -6.795 25.405 1.00 0.00 N ATOM 307 CA ARG A 20 78.796 -6.976 23.930 1.00 0.00 C ATOM 308 C ARG A 20 78.798 -5.617 23.232 1.00 0.00 C ATOM 309 O ARG A 20 79.551 -5.386 22.308 1.00 0.00 O ATOM 310 CB ARG A 20 77.635 -7.809 23.392 1.00 0.00 C ATOM 311 CG ARG A 20 77.768 -9.249 23.879 1.00 0.00 C ATOM 312 CD ARG A 20 76.603 -10.076 23.337 1.00 0.00 C ATOM 313 NE ARG A 20 76.635 -11.435 23.942 1.00 0.00 N ATOM 314 CZ ARG A 20 75.588 -12.208 23.869 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.508 -11.788 23.268 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.620 -13.398 24.400 1.00 0.00 N ATOM 0 H ARG A 20 77.818 -7.239 25.814 1.00 0.00 H new ATOM 0 HA ARG A 20 79.740 -7.485 23.735 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.687 -7.388 23.726 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.629 -7.782 22.302 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.715 -9.672 23.545 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.773 -9.277 24.969 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.657 -9.586 23.568 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.668 -10.148 22.251 1.00 0.00 H new ATOM 0 HE ARG A 20 77.478 -11.762 24.415 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.484 -10.855 22.856 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.688 -12.393 23.211 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.464 -13.723 24.872 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.801 -14.004 24.344 1.00 0.00 H new ATOM 330 N ALA A 21 77.964 -4.718 23.665 1.00 0.00 N ATOM 331 CA ALA A 21 77.922 -3.374 23.024 1.00 0.00 C ATOM 332 C ALA A 21 79.255 -2.665 23.270 1.00 0.00 C ATOM 333 O ALA A 21 79.783 -1.989 22.409 1.00 0.00 O ATOM 334 CB ALA A 21 76.782 -2.553 23.632 1.00 0.00 C ATOM 0 H ALA A 21 77.309 -4.853 24.435 1.00 0.00 H new ATOM 0 HA ALA A 21 77.754 -3.480 21.952 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.751 -1.570 23.163 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.835 -3.065 23.463 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.947 -2.439 24.703 1.00 0.00 H new ATOM 340 N MET A 22 79.800 -2.815 24.444 1.00 0.00 N ATOM 341 CA MET A 22 81.098 -2.156 24.762 1.00 0.00 C ATOM 342 C MET A 22 82.175 -2.654 23.796 1.00 0.00 C ATOM 343 O MET A 22 82.951 -1.885 23.265 1.00 0.00 O ATOM 344 CB MET A 22 81.498 -2.518 26.192 1.00 0.00 C ATOM 345 CG MET A 22 82.664 -1.633 26.647 1.00 0.00 C ATOM 346 SD MET A 22 83.474 -2.383 28.084 1.00 0.00 S ATOM 347 CE MET A 22 81.987 -2.783 29.035 1.00 0.00 C ATOM 0 H MET A 22 79.400 -3.369 25.202 1.00 0.00 H new ATOM 0 HA MET A 22 80.996 -1.075 24.664 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.648 -2.387 26.861 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.785 -3.568 26.244 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.381 -1.513 25.835 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.300 -0.637 26.901 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.255 -2.939 30.080 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.276 -1.960 28.962 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.534 -3.691 28.637 1.00 0.00 H new ATOM 357 N ALA A 23 82.231 -3.939 23.568 1.00 0.00 N ATOM 358 CA ALA A 23 83.258 -4.493 22.642 1.00 0.00 C ATOM 359 C ALA A 23 83.084 -3.869 21.252 1.00 0.00 C ATOM 360 O ALA A 23 84.040 -3.490 20.604 1.00 0.00 O ATOM 361 CB ALA A 23 83.080 -6.014 22.546 1.00 0.00 C ATOM 0 H ALA A 23 81.607 -4.630 23.985 1.00 0.00 H new ATOM 0 HA ALA A 23 84.255 -4.263 23.019 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.829 -6.426 21.870 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.201 -6.458 23.534 1.00 0.00 H new ATOM 0 HB3 ALA A 23 82.084 -6.240 22.166 1.00 0.00 H new ATOM 367 N SER A 24 81.869 -3.770 20.790 1.00 0.00 N ATOM 368 CA SER A 24 81.620 -3.184 19.443 1.00 0.00 C ATOM 369 C SER A 24 82.051 -1.714 19.411 1.00 0.00 C ATOM 370 O SER A 24 82.597 -1.243 18.434 1.00 0.00 O ATOM 371 CB SER A 24 80.129 -3.279 19.121 1.00 0.00 C ATOM 372 OG SER A 24 79.767 -4.646 18.977 1.00 0.00 O ATOM 0 H SER A 24 81.033 -4.072 21.290 1.00 0.00 H new ATOM 0 HA SER A 24 82.199 -3.738 18.704 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.543 -2.817 19.916 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.908 -2.733 18.204 1.00 0.00 H new ATOM 0 HG SER A 24 78.811 -4.711 18.772 1.00 0.00 H new ATOM 378 N ASP A 25 81.793 -0.982 20.458 1.00 0.00 N ATOM 379 CA ASP A 25 82.172 0.463 20.466 1.00 0.00 C ATOM 380 C ASP A 25 83.695 0.629 20.535 1.00 0.00 C ATOM 381 O ASP A 25 84.261 1.475 19.871 1.00 0.00 O ATOM 382 CB ASP A 25 81.527 1.144 21.673 1.00 0.00 C ATOM 383 CG ASP A 25 80.013 1.236 21.459 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.591 1.186 20.315 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.302 1.360 22.442 1.00 0.00 O ATOM 0 H ASP A 25 81.338 -1.318 21.307 1.00 0.00 H new ATOM 0 HA ASP A 25 81.819 0.923 19.543 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.743 0.580 22.581 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.947 2.141 21.809 1.00 0.00 H new ATOM 390 N PHE A 26 84.365 -0.170 21.320 1.00 0.00 N ATOM 391 CA PHE A 26 85.856 -0.057 21.419 1.00 0.00 C ATOM 392 C PHE A 26 86.505 -1.066 20.468 1.00 0.00 C ATOM 393 O PHE A 26 87.712 -1.151 20.366 1.00 0.00 O ATOM 394 CB PHE A 26 86.304 -0.328 22.859 1.00 0.00 C ATOM 395 CG PHE A 26 85.906 0.837 23.738 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.642 0.859 24.338 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.802 1.896 23.958 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.272 1.935 25.155 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.431 2.970 24.775 1.00 0.00 C ATOM 400 CZ PHE A 26 85.166 2.990 25.372 1.00 0.00 C ATOM 0 H PHE A 26 83.947 -0.898 21.899 1.00 0.00 H new ATOM 0 HA PHE A 26 86.164 0.951 21.140 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.848 -1.247 23.226 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.384 -0.472 22.894 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.951 0.046 24.171 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.778 1.881 23.496 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.296 1.951 25.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.121 3.783 24.945 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.879 3.820 26.001 1.00 0.00 H new ATOM 410 N ASN A 27 85.707 -1.823 19.760 1.00 0.00 N ATOM 411 CA ASN A 27 86.269 -2.818 18.800 1.00 0.00 C ATOM 412 C ASN A 27 87.270 -3.730 19.512 1.00 0.00 C ATOM 413 O ASN A 27 88.379 -3.926 19.054 1.00 0.00 O ATOM 414 CB ASN A 27 86.958 -2.081 17.649 1.00 0.00 C ATOM 415 CG ASN A 27 85.934 -1.198 16.933 1.00 0.00 C ATOM 416 OD1 ASN A 27 86.195 -0.043 16.661 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.768 -1.695 16.620 1.00 0.00 N ATOM 0 H ASN A 27 84.688 -1.794 19.806 1.00 0.00 H new ATOM 0 HA ASN A 27 85.460 -3.432 18.404 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.778 -1.472 18.030 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.391 -2.797 16.950 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.076 -1.114 16.147 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.549 -2.665 16.848 1.00 0.00 H new ATOM 424 N LEU A 28 86.880 -4.286 20.633 1.00 0.00 N ATOM 425 CA LEU A 28 87.787 -5.196 21.406 1.00 0.00 C ATOM 426 C LEU A 28 87.127 -6.579 21.523 1.00 0.00 C ATOM 427 O LEU A 28 85.918 -6.689 21.497 1.00 0.00 O ATOM 428 CB LEU A 28 87.987 -4.610 22.807 1.00 0.00 C ATOM 429 CG LEU A 28 88.865 -3.351 22.723 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.741 -2.559 24.028 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.341 -3.736 22.490 1.00 0.00 C ATOM 0 H LEU A 28 85.960 -4.147 21.052 1.00 0.00 H new ATOM 0 HA LEU A 28 88.748 -5.291 20.901 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.022 -4.363 23.249 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.456 -5.349 23.457 1.00 0.00 H new ATOM 0 HG LEU A 28 88.528 -2.740 21.886 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.363 -1.665 23.972 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.701 -2.269 24.180 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.071 -3.178 24.862 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.948 -2.832 22.433 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.690 -4.356 23.316 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.429 -4.292 21.556 1.00 0.00 H new ATOM 443 N PRO A 29 87.905 -7.633 21.652 1.00 0.00 N ATOM 444 CA PRO A 29 87.352 -9.015 21.774 1.00 0.00 C ATOM 445 C PRO A 29 86.725 -9.262 23.162 1.00 0.00 C ATOM 446 O PRO A 29 87.143 -8.674 24.140 1.00 0.00 O ATOM 447 CB PRO A 29 88.580 -9.911 21.561 1.00 0.00 C ATOM 448 CG PRO A 29 89.730 -9.089 22.040 1.00 0.00 C ATOM 449 CD PRO A 29 89.382 -7.637 21.694 1.00 0.00 C ATOM 0 HA PRO A 29 86.550 -9.206 21.061 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.495 -10.841 22.123 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.696 -10.183 20.512 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.877 -9.210 23.113 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.657 -9.395 21.555 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.763 -6.944 22.444 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.811 -7.339 20.737 1.00 0.00 H new ATOM 457 N PRO A 30 85.734 -10.123 23.256 1.00 0.00 N ATOM 458 CA PRO A 30 85.066 -10.436 24.553 1.00 0.00 C ATOM 459 C PRO A 30 86.053 -10.562 25.729 1.00 0.00 C ATOM 460 O PRO A 30 85.681 -10.398 26.874 1.00 0.00 O ATOM 461 CB PRO A 30 84.380 -11.780 24.282 1.00 0.00 C ATOM 462 CG PRO A 30 84.066 -11.770 22.818 1.00 0.00 C ATOM 463 CD PRO A 30 85.133 -10.892 22.143 1.00 0.00 C ATOM 0 HA PRO A 30 84.385 -9.640 24.853 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.032 -12.614 24.539 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.474 -11.888 24.879 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.083 -12.781 22.412 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.067 -11.372 22.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.880 -11.498 21.630 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.691 -10.232 21.397 1.00 0.00 H new ATOM 471 N VAL A 31 87.296 -10.865 25.463 1.00 0.00 N ATOM 472 CA VAL A 31 88.278 -11.017 26.583 1.00 0.00 C ATOM 473 C VAL A 31 88.387 -9.711 27.374 1.00 0.00 C ATOM 474 O VAL A 31 88.309 -9.703 28.585 1.00 0.00 O ATOM 475 CB VAL A 31 89.662 -11.365 26.006 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.741 -11.233 27.096 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.649 -12.804 25.485 1.00 0.00 C ATOM 0 H VAL A 31 87.674 -11.013 24.527 1.00 0.00 H new ATOM 0 HA VAL A 31 87.935 -11.812 27.245 1.00 0.00 H new ATOM 0 HB VAL A 31 89.889 -10.676 25.192 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.715 -11.482 26.675 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.758 -10.209 27.469 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.515 -11.915 27.916 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.629 -13.052 25.076 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.414 -13.485 26.303 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.895 -12.901 24.704 1.00 0.00 H new ATOM 487 N VAL A 32 88.590 -8.617 26.703 1.00 0.00 N ATOM 488 CA VAL A 32 88.731 -7.325 27.426 1.00 0.00 C ATOM 489 C VAL A 32 87.378 -6.861 27.965 1.00 0.00 C ATOM 490 O VAL A 32 87.281 -6.356 29.064 1.00 0.00 O ATOM 491 CB VAL A 32 89.286 -6.267 26.476 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.368 -4.922 27.202 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.681 -6.686 26.002 1.00 0.00 C ATOM 0 H VAL A 32 88.665 -8.559 25.687 1.00 0.00 H new ATOM 0 HA VAL A 32 89.414 -7.467 28.264 1.00 0.00 H new ATOM 0 HB VAL A 32 88.627 -6.171 25.613 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.764 -4.166 26.524 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.373 -4.626 27.533 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.026 -5.015 28.066 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.077 -5.930 25.324 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.343 -6.784 26.862 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.617 -7.642 25.482 1.00 0.00 H new ATOM 503 N ALA A 33 86.333 -7.016 27.201 1.00 0.00 N ATOM 504 CA ALA A 33 84.999 -6.560 27.683 1.00 0.00 C ATOM 505 C ALA A 33 84.644 -7.309 28.968 1.00 0.00 C ATOM 506 O ALA A 33 84.269 -6.715 29.959 1.00 0.00 O ATOM 507 CB ALA A 33 83.942 -6.835 26.608 1.00 0.00 C ATOM 0 H ALA A 33 86.344 -7.435 26.271 1.00 0.00 H new ATOM 0 HA ALA A 33 85.028 -5.489 27.886 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.967 -6.501 26.963 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.201 -6.296 25.697 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.905 -7.904 26.399 1.00 0.00 H new ATOM 513 N LYS A 34 84.775 -8.603 28.965 1.00 0.00 N ATOM 514 CA LYS A 34 84.461 -9.381 30.196 1.00 0.00 C ATOM 515 C LYS A 34 85.380 -8.947 31.342 1.00 0.00 C ATOM 516 O LYS A 34 84.961 -8.841 32.478 1.00 0.00 O ATOM 517 CB LYS A 34 84.657 -10.873 29.925 1.00 0.00 C ATOM 518 CG LYS A 34 83.558 -11.365 28.981 1.00 0.00 C ATOM 519 CD LYS A 34 83.749 -12.859 28.708 1.00 0.00 C ATOM 520 CE LYS A 34 82.648 -13.356 27.768 1.00 0.00 C ATOM 521 NZ LYS A 34 82.847 -14.808 27.501 1.00 0.00 N ATOM 0 H LYS A 34 85.085 -9.157 28.166 1.00 0.00 H new ATOM 0 HA LYS A 34 83.425 -9.193 30.478 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.638 -11.048 29.482 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.625 -11.431 30.861 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.578 -11.188 29.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.591 -10.807 28.045 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.728 -13.035 28.262 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.720 -13.416 29.644 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.668 -13.188 28.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.672 -12.796 26.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.100 -15.149 26.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.776 -14.955 27.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.804 -15.335 28.397 1.00 0.00 H new ATOM 535 N GLU A 35 86.631 -8.707 31.057 1.00 0.00 N ATOM 536 CA GLU A 35 87.577 -8.296 32.137 1.00 0.00 C ATOM 537 C GLU A 35 87.116 -6.980 32.761 1.00 0.00 C ATOM 538 O GLU A 35 87.172 -6.804 33.962 1.00 0.00 O ATOM 539 CB GLU A 35 88.978 -8.110 31.547 1.00 0.00 C ATOM 540 CG GLU A 35 90.003 -7.910 32.677 1.00 0.00 C ATOM 541 CD GLU A 35 89.959 -6.462 33.175 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.765 -5.579 32.355 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.117 -6.263 34.367 1.00 0.00 O ATOM 0 H GLU A 35 87.040 -8.777 30.125 1.00 0.00 H new ATOM 0 HA GLU A 35 87.599 -9.071 32.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.248 -8.981 30.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.989 -7.249 30.879 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.788 -8.593 33.499 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.004 -8.149 32.318 1.00 0.00 H new ATOM 550 N ILE A 36 86.653 -6.054 31.967 1.00 0.00 N ATOM 551 CA ILE A 36 86.190 -4.762 32.544 1.00 0.00 C ATOM 552 C ILE A 36 85.039 -5.058 33.504 1.00 0.00 C ATOM 553 O ILE A 36 84.957 -4.509 34.585 1.00 0.00 O ATOM 554 CB ILE A 36 85.727 -3.839 31.416 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.932 -3.473 30.549 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.129 -2.561 32.006 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.455 -2.790 29.269 1.00 0.00 C ATOM 0 H ILE A 36 86.576 -6.135 30.953 1.00 0.00 H new ATOM 0 HA ILE A 36 86.997 -4.266 33.082 1.00 0.00 H new ATOM 0 HB ILE A 36 84.972 -4.347 30.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.600 -2.811 31.099 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.502 -4.369 30.304 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.801 -1.907 31.199 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.277 -2.815 32.636 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.883 -2.049 32.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.316 -2.530 28.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.804 -3.467 28.716 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.904 -1.884 29.523 1.00 0.00 H new ATOM 569 N VAL A 37 84.168 -5.954 33.131 1.00 0.00 N ATOM 570 CA VAL A 37 83.047 -6.323 34.034 1.00 0.00 C ATOM 571 C VAL A 37 83.649 -7.011 35.261 1.00 0.00 C ATOM 572 O VAL A 37 83.232 -6.798 36.381 1.00 0.00 O ATOM 573 CB VAL A 37 82.110 -7.296 33.306 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.084 -7.861 34.292 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.389 -6.562 32.172 1.00 0.00 C ATOM 0 H VAL A 37 84.186 -6.446 32.238 1.00 0.00 H new ATOM 0 HA VAL A 37 82.480 -5.441 34.330 1.00 0.00 H new ATOM 0 HB VAL A 37 82.695 -8.116 32.890 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.421 -8.551 33.771 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.601 -8.389 35.093 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.498 -7.045 34.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.724 -7.254 31.656 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.806 -5.738 32.584 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.123 -6.170 31.468 1.00 0.00 H new ATOM 585 N ALA A 38 84.640 -7.832 35.040 1.00 0.00 N ATOM 586 CA ALA A 38 85.302 -8.550 36.167 1.00 0.00 C ATOM 587 C ALA A 38 85.961 -7.548 37.121 1.00 0.00 C ATOM 588 O ALA A 38 86.283 -7.873 38.246 1.00 0.00 O ATOM 589 CB ALA A 38 86.370 -9.499 35.610 1.00 0.00 C ATOM 0 H ALA A 38 85.023 -8.038 34.117 1.00 0.00 H new ATOM 0 HA ALA A 38 84.550 -9.119 36.714 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.855 -10.024 36.433 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.901 -10.223 34.943 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.114 -8.925 35.058 1.00 0.00 H new ATOM 595 N SER A 39 86.183 -6.336 36.685 1.00 0.00 N ATOM 596 CA SER A 39 86.838 -5.331 37.579 1.00 0.00 C ATOM 597 C SER A 39 85.759 -4.515 38.286 1.00 0.00 C ATOM 598 O SER A 39 85.881 -4.186 39.449 1.00 0.00 O ATOM 599 CB SER A 39 87.721 -4.401 36.746 1.00 0.00 C ATOM 600 OG SER A 39 88.588 -5.180 35.931 1.00 0.00 O ATOM 0 H SER A 39 85.941 -5.998 35.754 1.00 0.00 H new ATOM 0 HA SER A 39 87.455 -5.843 38.317 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.102 -3.754 36.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.304 -3.752 37.400 1.00 0.00 H new ATOM 0 HG SER A 39 88.071 -5.602 35.214 1.00 0.00 H new ATOM 606 N CYS A 40 84.696 -4.199 37.602 1.00 0.00 N ATOM 607 CA CYS A 40 83.605 -3.422 38.248 1.00 0.00 C ATOM 608 C CYS A 40 83.063 -4.225 39.434 1.00 0.00 C ATOM 609 O CYS A 40 82.792 -5.404 39.325 1.00 0.00 O ATOM 610 CB CYS A 40 82.491 -3.164 37.234 1.00 0.00 C ATOM 611 SG CYS A 40 81.445 -1.806 37.814 1.00 0.00 S ATOM 0 H CYS A 40 84.536 -4.445 36.625 1.00 0.00 H new ATOM 0 HA CYS A 40 83.986 -2.464 38.601 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.920 -2.917 36.263 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.893 -4.065 37.099 1.00 0.00 H new ATOM 616 N ASP A 41 82.920 -3.603 40.570 1.00 0.00 N ATOM 617 CA ASP A 41 82.418 -4.337 41.766 1.00 0.00 C ATOM 618 C ASP A 41 80.898 -4.510 41.692 1.00 0.00 C ATOM 619 O ASP A 41 80.351 -5.483 42.172 1.00 0.00 O ATOM 620 CB ASP A 41 82.768 -3.544 43.025 1.00 0.00 C ATOM 621 CG ASP A 41 84.279 -3.597 43.256 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.913 -4.481 42.706 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.776 -2.750 43.981 1.00 0.00 O ATOM 0 H ASP A 41 83.129 -2.616 40.723 1.00 0.00 H new ATOM 0 HA ASP A 41 82.885 -5.321 41.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.441 -2.509 42.919 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.243 -3.957 43.886 1.00 0.00 H new ATOM 628 N LYS A 42 80.206 -3.566 41.119 1.00 0.00 N ATOM 629 CA LYS A 42 78.721 -3.677 41.046 1.00 0.00 C ATOM 630 C LYS A 42 78.315 -4.784 40.065 1.00 0.00 C ATOM 631 O LYS A 42 77.385 -5.527 40.311 1.00 0.00 O ATOM 632 CB LYS A 42 78.147 -2.342 40.571 1.00 0.00 C ATOM 633 CG LYS A 42 78.317 -1.290 41.674 1.00 0.00 C ATOM 634 CD LYS A 42 78.017 0.111 41.121 1.00 0.00 C ATOM 635 CE LYS A 42 76.512 0.280 40.881 1.00 0.00 C ATOM 636 NZ LYS A 42 75.762 -0.081 42.116 1.00 0.00 N ATOM 0 H LYS A 42 80.602 -2.725 40.699 1.00 0.00 H new ATOM 0 HA LYS A 42 78.331 -3.925 42.033 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.656 -2.018 39.663 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.092 -2.456 40.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.647 -1.512 42.505 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.334 -1.324 42.066 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.367 0.868 41.822 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.560 0.265 40.188 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.293 1.310 40.599 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.193 -0.352 40.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.838 0.396 42.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.620 -1.111 42.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.304 0.220 42.951 1.00 0.00 H new ATOM 650 N CYS A 43 78.995 -4.898 38.954 1.00 0.00 N ATOM 651 CA CYS A 43 78.636 -5.954 37.958 1.00 0.00 C ATOM 652 C CYS A 43 79.335 -7.276 38.298 1.00 0.00 C ATOM 653 O CYS A 43 79.151 -8.270 37.624 1.00 0.00 O ATOM 654 CB CYS A 43 79.048 -5.502 36.556 1.00 0.00 C ATOM 655 SG CYS A 43 78.236 -3.931 36.168 1.00 0.00 S ATOM 0 H CYS A 43 79.783 -4.306 38.692 1.00 0.00 H new ATOM 0 HA CYS A 43 77.558 -6.110 37.990 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.131 -5.387 36.502 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.771 -6.258 35.822 1.00 0.00 H new ATOM 660 N GLN A 44 80.139 -7.304 39.329 1.00 0.00 N ATOM 661 CA GLN A 44 80.841 -8.573 39.681 1.00 0.00 C ATOM 662 C GLN A 44 79.829 -9.591 40.212 1.00 0.00 C ATOM 663 O GLN A 44 79.675 -10.668 39.670 1.00 0.00 O ATOM 664 CB GLN A 44 81.891 -8.293 40.760 1.00 0.00 C ATOM 665 CG GLN A 44 82.772 -9.529 40.952 1.00 0.00 C ATOM 666 CD GLN A 44 83.677 -9.694 39.732 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.259 -8.643 39.227 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.854 -10.787 39.231 1.00 0.00 N flip ATOM 0 H GLN A 44 80.339 -6.510 39.938 1.00 0.00 H new ATOM 0 HA GLN A 44 81.327 -8.974 38.792 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.504 -7.438 40.472 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.402 -8.033 41.699 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.374 -9.425 41.855 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.152 -10.416 41.083 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.398 -11.609 39.627 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.458 -10.882 38.415 1.00 0.00 H new ATOM 677 N LEU A 45 79.136 -9.258 41.263 1.00 0.00 N ATOM 678 CA LEU A 45 78.127 -10.202 41.828 1.00 0.00 C ATOM 679 C LEU A 45 76.782 -9.971 41.136 1.00 0.00 C ATOM 680 O LEU A 45 76.388 -8.849 40.887 1.00 0.00 O ATOM 681 CB LEU A 45 77.979 -9.948 43.330 1.00 0.00 C ATOM 682 CG LEU A 45 79.335 -10.121 44.027 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.179 -9.794 45.515 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.835 -11.568 43.870 1.00 0.00 C ATOM 0 H LEU A 45 79.223 -8.371 41.758 1.00 0.00 H new ATOM 0 HA LEU A 45 78.452 -11.230 41.665 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.599 -8.941 43.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.252 -10.640 43.754 1.00 0.00 H new ATOM 0 HG LEU A 45 80.060 -9.447 43.571 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.139 -9.915 46.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.838 -8.765 45.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.449 -10.469 45.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.798 -11.676 44.369 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.115 -12.252 44.318 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.947 -11.801 42.811 1.00 0.00 H new ATOM 696 N LYS A 46 76.073 -11.021 40.823 1.00 0.00 N ATOM 697 CA LYS A 46 74.756 -10.855 40.145 1.00 0.00 C ATOM 698 C LYS A 46 73.694 -10.472 41.181 1.00 0.00 C ATOM 699 O LYS A 46 73.578 -11.091 42.221 1.00 0.00 O ATOM 700 CB LYS A 46 74.358 -12.170 39.470 1.00 0.00 C ATOM 701 CG LYS A 46 75.299 -12.450 38.291 1.00 0.00 C ATOM 702 CD LYS A 46 74.854 -13.723 37.553 1.00 0.00 C ATOM 703 CE LYS A 46 75.114 -14.962 38.419 1.00 0.00 C ATOM 704 NZ LYS A 46 75.083 -16.181 37.559 1.00 0.00 N ATOM 0 H LYS A 46 76.348 -11.986 41.007 1.00 0.00 H new ATOM 0 HA LYS A 46 74.832 -10.070 39.393 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.406 -12.988 40.189 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.327 -12.113 39.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.298 -11.603 37.605 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.321 -12.567 38.651 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.794 -13.658 37.309 1.00 0.00 H new ATOM 0 HD3 LYS A 46 75.393 -13.811 36.610 1.00 0.00 H new ATOM 0 HE2 LYS A 46 76.081 -14.877 38.914 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.360 -15.037 39.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.259 -17.023 38.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.150 -16.263 37.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.818 -16.108 36.827 1.00 0.00 H new ATOM 718 N GLY A 47 72.918 -9.460 40.907 1.00 0.00 N ATOM 719 CA GLY A 47 71.860 -9.040 41.873 1.00 0.00 C ATOM 720 C GLY A 47 72.436 -8.985 43.291 1.00 0.00 C ATOM 721 O GLY A 47 73.554 -8.557 43.504 1.00 0.00 O ATOM 0 H GLY A 47 72.970 -8.903 40.054 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.468 -8.062 41.593 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.025 -9.740 41.838 1.00 0.00 H new ATOM 725 N GLU A 48 71.679 -9.422 44.261 1.00 0.00 N ATOM 726 CA GLU A 48 72.169 -9.404 45.670 1.00 0.00 C ATOM 727 C GLU A 48 73.046 -10.639 45.910 1.00 0.00 C ATOM 728 O GLU A 48 72.797 -11.700 45.373 1.00 0.00 O ATOM 729 CB GLU A 48 70.966 -9.424 46.620 1.00 0.00 C ATOM 730 CG GLU A 48 71.444 -9.404 48.074 1.00 0.00 C ATOM 731 CD GLU A 48 70.232 -9.335 49.004 1.00 0.00 C ATOM 732 OE1 GLU A 48 69.129 -9.203 48.497 1.00 0.00 O ATOM 733 OE2 GLU A 48 70.425 -9.412 50.207 1.00 0.00 O ATOM 0 H GLU A 48 70.737 -9.793 44.137 1.00 0.00 H new ATOM 0 HA GLU A 48 72.756 -8.504 45.852 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.326 -8.563 46.427 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.364 -10.315 46.439 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.031 -10.297 48.288 1.00 0.00 H new ATOM 0 HG3 GLU A 48 72.096 -8.547 48.243 1.00 0.00 H new ATOM 740 N ALA A 49 74.077 -10.511 46.703 1.00 0.00 N ATOM 741 CA ALA A 49 74.968 -11.682 46.957 1.00 0.00 C ATOM 742 C ALA A 49 74.227 -12.724 47.789 1.00 0.00 C ATOM 743 O ALA A 49 74.348 -13.911 47.561 1.00 0.00 O ATOM 744 CB ALA A 49 76.220 -11.234 47.713 1.00 0.00 C ATOM 0 H ALA A 49 74.340 -9.651 47.184 1.00 0.00 H new ATOM 0 HA ALA A 49 75.258 -12.116 46.000 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.864 -12.095 47.894 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.759 -10.496 47.119 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.931 -10.791 48.666 1.00 0.00 H new ATOM 750 N MET A 50 73.461 -12.296 48.750 1.00 0.00 N ATOM 751 CA MET A 50 72.718 -13.277 49.588 1.00 0.00 C ATOM 752 C MET A 50 71.587 -13.885 48.757 1.00 0.00 C ATOM 753 O MET A 50 70.925 -13.202 48.000 1.00 0.00 O ATOM 754 CB MET A 50 72.147 -12.566 50.819 1.00 0.00 C ATOM 755 CG MET A 50 73.296 -11.965 51.635 1.00 0.00 C ATOM 756 SD MET A 50 74.300 -13.294 52.353 1.00 0.00 S ATOM 757 CE MET A 50 73.204 -13.732 53.729 1.00 0.00 C ATOM 0 H MET A 50 73.317 -11.316 48.992 1.00 0.00 H new ATOM 0 HA MET A 50 73.388 -14.070 49.919 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.455 -11.782 50.512 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.581 -13.270 51.430 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.915 -11.333 50.998 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.899 -11.329 52.426 1.00 0.00 H new ATOM 0 HE1 MET A 50 73.754 -14.328 54.457 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.838 -12.823 54.206 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.360 -14.309 53.352 1.00 0.00 H new ATOM 767 N HIS A 51 71.370 -15.167 48.879 1.00 0.00 N ATOM 768 CA HIS A 51 70.294 -15.827 48.083 1.00 0.00 C ATOM 769 C HIS A 51 70.487 -15.507 46.601 1.00 0.00 C ATOM 770 O HIS A 51 69.541 -15.244 45.885 1.00 0.00 O ATOM 771 CB HIS A 51 68.924 -15.327 48.540 1.00 0.00 C ATOM 772 CG HIS A 51 68.725 -15.681 49.985 1.00 0.00 C ATOM 773 ND1 HIS A 51 69.084 -14.820 51.012 1.00 0.00 N ATOM 774 CD2 HIS A 51 68.220 -16.805 50.595 1.00 0.00 C ATOM 775 CE1 HIS A 51 68.793 -15.432 52.175 1.00 0.00 C ATOM 776 NE2 HIS A 51 68.267 -16.642 51.975 1.00 0.00 N ATOM 0 H HIS A 51 71.893 -15.788 49.497 1.00 0.00 H new ATOM 0 HA HIS A 51 70.348 -16.905 48.234 1.00 0.00 H new ATOM 0 HB2 HIS A 51 68.854 -14.248 48.405 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.139 -15.776 47.932 1.00 0.00 H new ATOM 0 HD2 HIS A 51 67.845 -17.678 50.082 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.964 -14.998 53.149 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.963 -17.308 52.686 1.00 0.00 H new ATOM 785 N GLY A 52 71.705 -15.528 46.134 1.00 0.00 N ATOM 786 CA GLY A 52 71.958 -15.224 44.698 1.00 0.00 C ATOM 787 C GLY A 52 71.190 -16.214 43.821 1.00 0.00 C ATOM 788 O GLY A 52 71.164 -17.401 44.081 1.00 0.00 O ATOM 0 H GLY A 52 72.536 -15.743 46.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 71.647 -14.204 44.471 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.025 -15.286 44.485 1.00 0.00 H new ATOM 792 N GLN A 53 70.568 -15.735 42.780 1.00 0.00 N ATOM 793 CA GLN A 53 69.802 -16.646 41.881 1.00 0.00 C ATOM 794 C GLN A 53 70.772 -17.329 40.916 1.00 0.00 C ATOM 795 O GLN A 53 71.600 -16.689 40.298 1.00 0.00 O ATOM 796 CB GLN A 53 68.776 -15.835 41.085 1.00 0.00 C ATOM 797 CG GLN A 53 67.850 -16.782 40.315 1.00 0.00 C ATOM 798 CD GLN A 53 66.972 -17.558 41.298 1.00 0.00 C ATOM 799 OE1 GLN A 53 66.266 -16.973 42.095 1.00 0.00 O ATOM 800 NE2 GLN A 53 66.983 -18.863 41.273 1.00 0.00 N ATOM 0 H GLN A 53 70.556 -14.751 42.512 1.00 0.00 H new ATOM 0 HA GLN A 53 69.284 -17.398 42.476 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.192 -15.209 41.759 1.00 0.00 H new ATOM 0 HB3 GLN A 53 69.286 -15.167 40.391 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.226 -16.214 39.625 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.440 -17.475 39.715 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.575 -19.355 40.604 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.399 -19.390 41.922 1.00 0.00 H new ATOM 809 N VAL A 54 70.675 -18.623 40.774 1.00 0.00 N ATOM 810 CA VAL A 54 71.590 -19.346 39.844 1.00 0.00 C ATOM 811 C VAL A 54 70.949 -19.399 38.456 1.00 0.00 C ATOM 812 O VAL A 54 71.303 -18.649 37.569 1.00 0.00 O ATOM 813 CB VAL A 54 71.812 -20.770 40.357 1.00 0.00 C ATOM 814 CG1 VAL A 54 72.666 -21.552 39.359 1.00 0.00 C ATOM 815 CG2 VAL A 54 72.530 -20.719 41.708 1.00 0.00 C ATOM 0 H VAL A 54 70.001 -19.212 41.263 1.00 0.00 H new ATOM 0 HA VAL A 54 72.547 -18.827 39.788 1.00 0.00 H new ATOM 0 HB VAL A 54 70.848 -21.265 40.472 1.00 0.00 H new ATOM 0 HG11 VAL A 54 72.821 -22.566 39.729 1.00 0.00 H new ATOM 0 HG12 VAL A 54 72.156 -21.591 38.396 1.00 0.00 H new ATOM 0 HG13 VAL A 54 73.630 -21.058 39.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.689 -21.733 42.074 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.492 -20.221 41.590 1.00 0.00 H new ATOM 0 HG23 VAL A 54 71.921 -20.166 42.423 1.00 0.00 H new ATOM 825 N ASP A 55 70.003 -20.277 38.267 1.00 0.00 N ATOM 826 CA ASP A 55 69.326 -20.384 36.942 1.00 0.00 C ATOM 827 C ASP A 55 68.131 -19.429 36.910 1.00 0.00 C ATOM 828 O ASP A 55 67.094 -19.825 36.406 1.00 0.00 O ATOM 829 CB ASP A 55 68.834 -21.818 36.741 1.00 0.00 C ATOM 830 CG ASP A 55 67.790 -22.151 37.809 1.00 0.00 C ATOM 831 OD1 ASP A 55 67.665 -21.381 38.747 1.00 0.00 O ATOM 832 OD2 ASP A 55 67.137 -23.171 37.672 1.00 0.00 O ATOM 833 OXT ASP A 55 68.275 -18.317 37.392 1.00 0.00 O ATOM 0 H ASP A 55 69.668 -20.929 38.976 1.00 0.00 H new ATOM 0 HA ASP A 55 70.026 -20.123 36.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.402 -21.930 35.747 1.00 0.00 H new ATOM 0 HB3 ASP A 55 69.671 -22.514 36.805 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.005 -11.417 22.928 1.00 0.00 N ATOM 840 CA PHE B 1 95.065 -12.556 23.125 1.00 0.00 C ATOM 841 C PHE B 1 95.648 -13.803 22.461 1.00 0.00 C ATOM 842 O PHE B 1 95.592 -13.968 21.259 1.00 0.00 O ATOM 843 CB PHE B 1 93.712 -12.210 22.506 1.00 0.00 C ATOM 844 CG PHE B 1 93.347 -10.783 22.864 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.036 -10.449 24.190 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.328 -9.791 21.873 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.705 -9.127 24.522 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.997 -8.472 22.206 1.00 0.00 C ATOM 849 CZ PHE B 1 92.685 -8.140 23.529 1.00 0.00 C ATOM 0 H1 PHE B 1 95.463 -10.543 22.774 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.603 -11.310 23.772 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.606 -11.602 22.100 1.00 0.00 H new ATOM 0 HA PHE B 1 94.926 -12.748 24.189 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.754 -12.326 21.423 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.947 -12.895 22.870 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.051 -11.210 24.956 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.569 -10.045 20.851 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.466 -8.870 25.543 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.982 -7.710 21.441 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.429 -7.122 23.784 1.00 0.00 H new ATOM 861 N LEU B 2 96.230 -14.670 23.245 1.00 0.00 N ATOM 862 CA LEU B 2 96.856 -15.911 22.688 1.00 0.00 C ATOM 863 C LEU B 2 95.939 -17.116 22.845 1.00 0.00 C ATOM 864 O LEU B 2 95.278 -17.287 23.840 1.00 0.00 O ATOM 865 CB LEU B 2 98.172 -16.194 23.418 1.00 0.00 C ATOM 866 CG LEU B 2 99.153 -15.033 23.218 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.418 -15.305 24.039 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.521 -14.902 21.727 1.00 0.00 C ATOM 0 H LEU B 2 96.301 -14.573 24.258 1.00 0.00 H new ATOM 0 HA LEU B 2 97.036 -15.746 21.626 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.982 -16.339 24.481 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.611 -17.119 23.044 1.00 0.00 H new ATOM 0 HG LEU B 2 98.689 -14.103 23.547 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.123 -14.485 23.904 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.156 -15.388 25.094 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.876 -16.236 23.704 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.218 -14.075 21.596 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.986 -15.826 21.384 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.619 -14.712 21.145 1.00 0.00 H new ATOM 880 N ASP B 3 95.929 -17.972 21.863 1.00 0.00 N ATOM 881 CA ASP B 3 95.090 -19.196 21.948 1.00 0.00 C ATOM 882 C ASP B 3 95.547 -20.006 23.160 1.00 0.00 C ATOM 883 O ASP B 3 94.748 -20.578 23.875 1.00 0.00 O ATOM 884 CB ASP B 3 95.256 -20.029 20.674 1.00 0.00 C ATOM 885 CG ASP B 3 94.579 -19.313 19.503 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.742 -18.463 19.760 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.901 -19.634 18.371 1.00 0.00 O ATOM 0 H ASP B 3 96.468 -17.875 21.003 1.00 0.00 H new ATOM 0 HA ASP B 3 94.039 -18.925 22.052 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.314 -20.178 20.460 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.817 -21.017 20.813 1.00 0.00 H new ATOM 892 N GLY B 4 96.831 -20.049 23.405 1.00 0.00 N ATOM 893 CA GLY B 4 97.349 -20.809 24.583 1.00 0.00 C ATOM 894 C GLY B 4 96.532 -20.435 25.824 1.00 0.00 C ATOM 895 O GLY B 4 96.601 -21.085 26.848 1.00 0.00 O ATOM 0 H GLY B 4 97.545 -19.590 22.839 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.281 -21.881 24.398 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.402 -20.580 24.744 1.00 0.00 H new ATOM 899 N ILE B 5 95.746 -19.397 25.728 1.00 0.00 N ATOM 900 CA ILE B 5 94.900 -18.975 26.877 1.00 0.00 C ATOM 901 C ILE B 5 93.952 -20.121 27.247 1.00 0.00 C ATOM 902 O ILE B 5 93.686 -20.370 28.405 1.00 0.00 O ATOM 903 CB ILE B 5 94.109 -17.717 26.477 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.036 -16.500 26.521 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.931 -17.496 27.434 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.353 -15.310 25.839 1.00 0.00 C ATOM 0 H ILE B 5 95.654 -18.818 24.893 1.00 0.00 H new ATOM 0 HA ILE B 5 95.518 -18.741 27.744 1.00 0.00 H new ATOM 0 HB ILE B 5 93.720 -17.852 25.468 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.277 -16.251 27.554 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.977 -16.728 26.020 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.383 -16.602 27.136 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.266 -18.359 27.397 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.306 -17.370 28.450 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.014 -14.444 25.871 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.135 -15.562 24.801 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.424 -15.077 26.359 1.00 0.00 H new ATOM 918 N ASP B 6 93.445 -20.819 26.270 1.00 0.00 N ATOM 919 CA ASP B 6 92.520 -21.952 26.560 1.00 0.00 C ATOM 920 C ASP B 6 93.254 -22.979 27.421 1.00 0.00 C ATOM 921 O ASP B 6 92.683 -23.579 28.310 1.00 0.00 O ATOM 922 CB ASP B 6 92.080 -22.601 25.243 1.00 0.00 C ATOM 923 CG ASP B 6 91.113 -23.754 25.529 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.093 -24.222 26.655 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.404 -24.144 24.615 1.00 0.00 O ATOM 0 H ASP B 6 93.631 -20.654 25.281 1.00 0.00 H new ATOM 0 HA ASP B 6 91.640 -21.589 27.090 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.598 -21.860 24.605 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.950 -22.970 24.701 1.00 0.00 H new ATOM 930 N LYS B 7 94.515 -23.192 27.163 1.00 0.00 N ATOM 931 CA LYS B 7 95.280 -24.187 27.968 1.00 0.00 C ATOM 932 C LYS B 7 95.387 -23.698 29.414 1.00 0.00 C ATOM 933 O LYS B 7 95.343 -24.475 30.347 1.00 0.00 O ATOM 934 CB LYS B 7 96.691 -24.356 27.396 1.00 0.00 C ATOM 935 CG LYS B 7 96.609 -24.864 25.955 1.00 0.00 C ATOM 936 CD LYS B 7 98.021 -25.028 25.391 1.00 0.00 C ATOM 937 CE LYS B 7 97.941 -25.538 23.950 1.00 0.00 C ATOM 938 NZ LYS B 7 97.433 -24.452 23.066 1.00 0.00 N ATOM 0 H LYS B 7 95.048 -22.722 26.432 1.00 0.00 H new ATOM 0 HA LYS B 7 94.758 -25.143 27.933 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.222 -23.404 27.426 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.259 -25.058 28.007 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.080 -25.817 25.924 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.041 -24.164 25.343 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.549 -24.075 25.422 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.590 -25.727 26.004 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.925 -25.865 23.614 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.281 -26.404 23.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.568 -24.723 22.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.421 -24.300 23.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.955 -23.574 23.260 1.00 0.00 H new ATOM 952 N ALA B 8 95.532 -22.416 29.608 1.00 0.00 N ATOM 953 CA ALA B 8 95.651 -21.884 30.994 1.00 0.00 C ATOM 954 C ALA B 8 94.395 -22.242 31.791 1.00 0.00 C ATOM 955 O ALA B 8 94.454 -22.486 32.980 1.00 0.00 O ATOM 956 CB ALA B 8 95.811 -20.363 30.945 1.00 0.00 C ATOM 0 H ALA B 8 95.573 -21.715 28.868 1.00 0.00 H new ATOM 0 HA ALA B 8 96.523 -22.325 31.478 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.898 -19.973 31.959 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.708 -20.110 30.381 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.941 -19.921 30.460 1.00 0.00 H new ATOM 962 N GLN B 9 93.256 -22.279 31.152 1.00 0.00 N ATOM 963 CA GLN B 9 92.009 -22.626 31.890 1.00 0.00 C ATOM 964 C GLN B 9 92.148 -24.029 32.495 1.00 0.00 C ATOM 965 O GLN B 9 91.755 -24.272 33.619 1.00 0.00 O ATOM 966 CB GLN B 9 90.819 -22.606 30.923 1.00 0.00 C ATOM 967 CG GLN B 9 90.514 -21.168 30.500 1.00 0.00 C ATOM 968 CD GLN B 9 89.442 -21.179 29.406 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.319 -22.139 28.672 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.655 -20.147 29.266 1.00 0.00 N ATOM 0 H GLN B 9 93.136 -22.085 30.158 1.00 0.00 H new ATOM 0 HA GLN B 9 91.844 -21.899 32.685 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.043 -23.212 30.045 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.944 -23.047 31.401 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.169 -20.590 31.357 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.420 -20.685 30.133 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.757 -19.340 29.882 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.938 -20.147 28.541 1.00 0.00 H new ATOM 979 N GLU B 10 92.707 -24.951 31.759 1.00 0.00 N ATOM 980 CA GLU B 10 92.878 -26.338 32.284 1.00 0.00 C ATOM 981 C GLU B 10 93.758 -26.321 33.540 1.00 0.00 C ATOM 982 O GLU B 10 93.517 -27.043 34.486 1.00 0.00 O ATOM 983 CB GLU B 10 93.536 -27.211 31.208 1.00 0.00 C ATOM 984 CG GLU B 10 93.657 -28.660 31.698 1.00 0.00 C ATOM 985 CD GLU B 10 92.262 -29.251 31.902 1.00 0.00 C ATOM 986 OE1 GLU B 10 91.319 -28.693 31.364 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.159 -30.252 32.591 1.00 0.00 O ATOM 0 H GLU B 10 93.055 -24.803 30.812 1.00 0.00 H new ATOM 0 HA GLU B 10 91.901 -26.746 32.542 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.946 -27.178 30.292 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.523 -26.818 30.965 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.212 -29.255 30.973 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.217 -28.693 32.633 1.00 0.00 H new ATOM 994 N GLU B 11 94.791 -25.520 33.546 1.00 0.00 N ATOM 995 CA GLU B 11 95.708 -25.477 34.729 1.00 0.00 C ATOM 996 C GLU B 11 95.273 -24.379 35.703 1.00 0.00 C ATOM 997 O GLU B 11 95.956 -24.089 36.665 1.00 0.00 O ATOM 998 CB GLU B 11 97.135 -25.191 34.254 1.00 0.00 C ATOM 999 CG GLU B 11 97.678 -26.408 33.501 1.00 0.00 C ATOM 1000 CD GLU B 11 99.105 -26.123 33.025 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.544 -24.995 33.172 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.731 -27.037 32.513 1.00 0.00 O ATOM 0 H GLU B 11 95.042 -24.892 32.783 1.00 0.00 H new ATOM 0 HA GLU B 11 95.669 -26.439 35.239 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.145 -24.315 33.605 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.774 -24.963 35.107 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.668 -27.284 34.150 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.038 -26.636 32.648 1.00 0.00 H new ATOM 1009 N CYS B 12 94.142 -23.766 35.476 1.00 0.00 N ATOM 1010 CA CYS B 12 93.682 -22.699 36.412 1.00 0.00 C ATOM 1011 C CYS B 12 93.752 -23.231 37.846 1.00 0.00 C ATOM 1012 O CYS B 12 94.257 -22.583 38.742 1.00 0.00 O ATOM 1013 CB CYS B 12 92.234 -22.320 36.084 1.00 0.00 C ATOM 1014 SG CYS B 12 91.714 -20.944 37.140 1.00 0.00 S ATOM 0 H CYS B 12 93.521 -23.956 34.689 1.00 0.00 H new ATOM 0 HA CYS B 12 94.319 -21.820 36.309 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.150 -22.038 35.034 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.579 -23.178 36.238 1.00 0.00 H new ATOM 1019 N GLU B 13 93.245 -24.413 38.060 1.00 0.00 N ATOM 1020 CA GLU B 13 93.264 -25.020 39.422 1.00 0.00 C ATOM 1021 C GLU B 13 94.709 -25.183 39.910 1.00 0.00 C ATOM 1022 O GLU B 13 95.009 -24.968 41.069 1.00 0.00 O ATOM 1023 CB GLU B 13 92.582 -26.388 39.370 1.00 0.00 C ATOM 1024 CG GLU B 13 91.080 -26.196 39.144 1.00 0.00 C ATOM 1025 CD GLU B 13 90.391 -27.560 39.081 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.065 -28.086 40.132 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.204 -28.054 37.981 1.00 0.00 O ATOM 0 H GLU B 13 92.813 -24.992 37.340 1.00 0.00 H new ATOM 0 HA GLU B 13 92.732 -24.367 40.114 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.008 -26.989 38.567 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.755 -26.929 40.300 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.654 -25.599 39.951 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.909 -25.648 38.218 1.00 0.00 H new ATOM 1034 N LYS B 14 95.602 -25.577 39.043 1.00 0.00 N ATOM 1035 CA LYS B 14 97.021 -25.773 39.466 1.00 0.00 C ATOM 1036 C LYS B 14 97.595 -24.460 40.000 1.00 0.00 C ATOM 1037 O LYS B 14 98.317 -24.443 40.978 1.00 0.00 O ATOM 1038 CB LYS B 14 97.849 -26.247 38.268 1.00 0.00 C ATOM 1039 CG LYS B 14 99.272 -26.579 38.728 1.00 0.00 C ATOM 1040 CD LYS B 14 100.100 -27.053 37.531 1.00 0.00 C ATOM 1041 CE LYS B 14 101.506 -27.435 38.002 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.206 -26.223 38.515 1.00 0.00 N ATOM 0 H LYS B 14 95.412 -25.772 38.060 1.00 0.00 H new ATOM 0 HA LYS B 14 97.059 -26.523 40.256 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.387 -27.126 37.818 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.875 -25.473 37.501 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.734 -25.700 39.178 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.246 -27.353 39.495 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.618 -27.909 37.058 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.158 -26.265 36.780 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.446 -28.191 38.784 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.070 -27.872 37.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.228 -26.407 38.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.028 -25.423 37.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.850 -25.993 39.465 1.00 0.00 H new ATOM 1056 N TYR B 15 97.281 -23.355 39.378 1.00 0.00 N ATOM 1057 CA TYR B 15 97.813 -22.048 39.866 1.00 0.00 C ATOM 1058 C TYR B 15 96.888 -21.510 40.959 1.00 0.00 C ATOM 1059 O TYR B 15 97.223 -20.585 41.670 1.00 0.00 O ATOM 1060 CB TYR B 15 97.883 -21.056 38.704 1.00 0.00 C ATOM 1061 CG TYR B 15 98.978 -21.483 37.756 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.315 -21.218 38.073 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.658 -22.149 36.565 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.334 -21.618 37.201 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.678 -22.549 35.694 1.00 0.00 C ATOM 1066 CZ TYR B 15 101.016 -22.284 36.011 1.00 0.00 C ATOM 1067 OH TYR B 15 102.020 -22.680 35.153 1.00 0.00 O ATOM 0 H TYR B 15 96.681 -23.300 38.555 1.00 0.00 H new ATOM 0 HA TYR B 15 98.815 -22.185 40.273 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.927 -21.020 38.182 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.080 -20.051 39.078 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.561 -20.705 38.991 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.626 -22.353 36.320 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.366 -21.413 37.446 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.433 -23.063 34.776 1.00 0.00 H new ATOM 0 HH TYR B 15 102.764 -22.044 35.205 1.00 0.00 H new ATOM 1077 N HIS B 16 95.733 -22.101 41.107 1.00 0.00 N ATOM 1078 CA HIS B 16 94.787 -21.650 42.167 1.00 0.00 C ATOM 1079 C HIS B 16 94.413 -20.179 41.965 1.00 0.00 C ATOM 1080 O HIS B 16 94.096 -19.748 40.874 1.00 0.00 O ATOM 1081 CB HIS B 16 95.442 -21.833 43.538 1.00 0.00 C ATOM 1082 CG HIS B 16 96.157 -23.155 43.577 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.487 -24.356 43.776 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.483 -23.482 43.441 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.407 -25.340 43.754 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.634 -24.858 43.554 1.00 0.00 N ATOM 0 H HIS B 16 95.403 -22.880 40.537 1.00 0.00 H new ATOM 0 HA HIS B 16 93.878 -22.248 42.108 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.144 -21.021 43.729 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.687 -21.792 44.323 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.285 -22.778 43.272 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.179 -26.388 43.882 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.503 -25.389 43.496 1.00 0.00 H new ATOM 1095 N SER B 17 94.433 -19.410 43.024 1.00 0.00 N ATOM 1096 CA SER B 17 94.066 -17.966 42.929 1.00 0.00 C ATOM 1097 C SER B 17 95.296 -17.126 42.564 1.00 0.00 C ATOM 1098 O SER B 17 95.220 -15.919 42.457 1.00 0.00 O ATOM 1099 CB SER B 17 93.510 -17.499 44.275 1.00 0.00 C ATOM 1100 OG SER B 17 92.895 -16.227 44.114 1.00 0.00 O ATOM 0 H SER B 17 94.691 -19.725 43.959 1.00 0.00 H new ATOM 0 HA SER B 17 93.312 -17.840 42.152 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.786 -18.221 44.652 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.312 -17.438 45.011 1.00 0.00 H new ATOM 0 HG SER B 17 93.455 -15.663 43.541 1.00 0.00 H new ATOM 1106 N ASN B 18 96.429 -17.749 42.374 1.00 0.00 N ATOM 1107 CA ASN B 18 97.653 -16.971 42.018 1.00 0.00 C ATOM 1108 C ASN B 18 97.624 -16.649 40.522 1.00 0.00 C ATOM 1109 O ASN B 18 98.292 -17.284 39.730 1.00 0.00 O ATOM 1110 CB ASN B 18 98.897 -17.809 42.323 1.00 0.00 C ATOM 1111 CG ASN B 18 99.074 -17.948 43.836 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.563 -17.153 44.598 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.787 -18.938 44.305 1.00 0.00 N ATOM 0 H ASN B 18 96.560 -18.758 42.449 1.00 0.00 H new ATOM 0 HA ASN B 18 97.681 -16.049 42.598 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.803 -18.795 41.867 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.778 -17.339 41.887 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.914 -19.043 45.312 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.216 -19.606 43.664 1.00 0.00 H new ATOM 1120 N TRP B 19 96.852 -15.673 40.125 1.00 0.00 N ATOM 1121 CA TRP B 19 96.785 -15.326 38.677 1.00 0.00 C ATOM 1122 C TRP B 19 98.104 -14.689 38.223 1.00 0.00 C ATOM 1123 O TRP B 19 98.464 -14.750 37.065 1.00 0.00 O ATOM 1124 CB TRP B 19 95.628 -14.355 38.426 1.00 0.00 C ATOM 1125 CG TRP B 19 95.833 -13.092 39.202 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.323 -12.841 40.429 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.593 -11.909 38.823 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.714 -11.573 40.824 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.501 -10.961 39.868 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.346 -11.569 37.684 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.131 -9.718 39.787 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.982 -10.321 37.600 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.875 -9.397 38.648 1.00 0.00 C ATOM 0 H TRP B 19 96.268 -15.104 40.738 1.00 0.00 H new ATOM 0 HA TRP B 19 96.618 -16.239 38.105 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.558 -14.129 37.362 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.685 -14.819 38.716 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.711 -13.518 41.006 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.453 -11.144 41.712 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.435 -12.273 36.870 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.044 -9.010 40.598 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.558 -10.071 36.721 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.367 -8.438 38.576 1.00 0.00 H new ATOM 1144 N ARG B 20 98.827 -14.074 39.122 1.00 0.00 N ATOM 1145 CA ARG B 20 100.120 -13.435 38.728 1.00 0.00 C ATOM 1146 C ARG B 20 101.074 -14.482 38.155 1.00 0.00 C ATOM 1147 O ARG B 20 101.774 -14.239 37.192 1.00 0.00 O ATOM 1148 CB ARG B 20 100.764 -12.793 39.955 1.00 0.00 C ATOM 1149 CG ARG B 20 99.949 -11.573 40.381 1.00 0.00 C ATOM 1150 CD ARG B 20 100.599 -10.935 41.610 1.00 0.00 C ATOM 1151 NE ARG B 20 99.719 -9.852 42.130 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.913 -9.372 43.327 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.873 -9.846 44.073 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.145 -8.421 43.780 1.00 0.00 N ATOM 0 H ARG B 20 98.581 -13.986 40.108 1.00 0.00 H new ATOM 0 HA ARG B 20 99.922 -12.677 37.970 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.813 -13.513 40.771 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.788 -12.498 39.728 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.900 -10.851 39.566 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.924 -11.867 40.609 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.762 -11.688 42.381 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.577 -10.530 41.349 1.00 0.00 H new ATOM 0 HE ARG B 20 98.964 -9.486 41.550 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.472 -10.592 43.720 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.024 -9.470 45.009 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.393 -8.052 43.198 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.297 -8.045 44.716 1.00 0.00 H new ATOM 1168 N ALA B 21 101.108 -15.646 38.739 1.00 0.00 N ATOM 1169 CA ALA B 21 102.017 -16.710 38.228 1.00 0.00 C ATOM 1170 C ALA B 21 101.570 -17.111 36.822 1.00 0.00 C ATOM 1171 O ALA B 21 102.376 -17.352 35.945 1.00 0.00 O ATOM 1172 CB ALA B 21 101.950 -17.926 39.156 1.00 0.00 C ATOM 0 H ALA B 21 100.546 -15.908 39.549 1.00 0.00 H new ATOM 0 HA ALA B 21 103.042 -16.339 38.196 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.615 -18.705 38.783 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.259 -17.635 40.160 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.928 -18.305 39.186 1.00 0.00 H new ATOM 1178 N MET B 22 100.287 -17.182 36.606 1.00 0.00 N ATOM 1179 CA MET B 22 99.769 -17.566 35.263 1.00 0.00 C ATOM 1180 C MET B 22 100.255 -16.558 34.220 1.00 0.00 C ATOM 1181 O MET B 22 100.707 -16.921 33.152 1.00 0.00 O ATOM 1182 CB MET B 22 98.241 -17.553 35.301 1.00 0.00 C ATOM 1183 CG MET B 22 97.683 -18.222 34.042 1.00 0.00 C ATOM 1184 SD MET B 22 95.947 -17.753 33.818 1.00 0.00 S ATOM 1185 CE MET B 22 95.388 -18.032 35.516 1.00 0.00 C ATOM 0 H MET B 22 99.570 -16.990 37.306 1.00 0.00 H new ATOM 0 HA MET B 22 100.128 -18.561 35.000 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.886 -18.076 36.189 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.879 -16.527 35.369 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.266 -17.922 33.171 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.769 -19.305 34.126 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.306 -18.165 35.526 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.867 -18.926 35.915 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.653 -17.173 36.132 1.00 0.00 H new ATOM 1195 N ALA B 23 100.160 -15.292 34.522 1.00 0.00 N ATOM 1196 CA ALA B 23 100.610 -14.255 33.553 1.00 0.00 C ATOM 1197 C ALA B 23 102.095 -14.466 33.232 1.00 0.00 C ATOM 1198 O ALA B 23 102.513 -14.392 32.095 1.00 0.00 O ATOM 1199 CB ALA B 23 100.412 -12.865 34.172 1.00 0.00 C ATOM 0 H ALA B 23 99.789 -14.931 35.401 1.00 0.00 H new ATOM 0 HA ALA B 23 100.027 -14.333 32.635 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.740 -12.102 33.466 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.357 -12.716 34.403 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.998 -12.788 35.088 1.00 0.00 H new ATOM 1205 N SER B 24 102.892 -14.718 34.233 1.00 0.00 N ATOM 1206 CA SER B 24 104.349 -14.922 34.000 1.00 0.00 C ATOM 1207 C SER B 24 104.585 -16.164 33.135 1.00 0.00 C ATOM 1208 O SER B 24 105.445 -16.177 32.278 1.00 0.00 O ATOM 1209 CB SER B 24 105.054 -15.105 35.345 1.00 0.00 C ATOM 1210 OG SER B 24 104.987 -13.889 36.080 1.00 0.00 O ATOM 0 H SER B 24 102.596 -14.792 35.206 1.00 0.00 H new ATOM 0 HA SER B 24 104.748 -14.050 33.482 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.583 -15.910 35.909 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.094 -15.391 35.188 1.00 0.00 H new ATOM 0 HG SER B 24 105.436 -14.003 36.943 1.00 0.00 H new ATOM 1216 N ASP B 25 103.846 -17.214 33.363 1.00 0.00 N ATOM 1217 CA ASP B 25 104.057 -18.457 32.561 1.00 0.00 C ATOM 1218 C ASP B 25 103.598 -18.259 31.113 1.00 0.00 C ATOM 1219 O ASP B 25 104.243 -18.709 30.186 1.00 0.00 O ATOM 1220 CB ASP B 25 103.266 -19.601 33.195 1.00 0.00 C ATOM 1221 CG ASP B 25 103.909 -19.993 34.529 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.085 -19.714 34.702 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.218 -20.568 35.353 1.00 0.00 O ATOM 0 H ASP B 25 103.108 -17.268 34.065 1.00 0.00 H new ATOM 0 HA ASP B 25 105.121 -18.693 32.554 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.231 -19.297 33.354 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.246 -20.459 32.523 1.00 0.00 H new ATOM 1228 N PHE B 26 102.499 -17.585 30.903 1.00 0.00 N ATOM 1229 CA PHE B 26 102.009 -17.356 29.505 1.00 0.00 C ATOM 1230 C PHE B 26 102.487 -15.985 29.023 1.00 0.00 C ATOM 1231 O PHE B 26 102.221 -15.579 27.910 1.00 0.00 O ATOM 1232 CB PHE B 26 100.478 -17.419 29.473 1.00 0.00 C ATOM 1233 CG PHE B 26 100.029 -18.853 29.658 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.831 -19.359 30.946 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.807 -19.674 28.541 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.415 -20.683 31.123 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.390 -21.000 28.719 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.195 -21.504 30.011 1.00 0.00 C ATOM 0 H PHE B 26 101.917 -17.182 31.637 1.00 0.00 H new ATOM 0 HA PHE B 26 102.405 -18.130 28.848 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.061 -16.791 30.261 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.107 -17.030 28.525 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.999 -18.727 31.805 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.957 -19.284 27.545 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.263 -21.072 32.119 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.219 -21.633 27.861 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.875 -22.526 30.149 1.00 0.00 H new ATOM 1248 N ASN B 27 103.203 -15.274 29.852 1.00 0.00 N ATOM 1249 CA ASN B 27 103.718 -13.935 29.446 1.00 0.00 C ATOM 1250 C ASN B 27 102.568 -13.055 28.948 1.00 0.00 C ATOM 1251 O ASN B 27 102.639 -12.463 27.889 1.00 0.00 O ATOM 1252 CB ASN B 27 104.760 -14.106 28.338 1.00 0.00 C ATOM 1253 CG ASN B 27 105.918 -14.959 28.863 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.358 -15.880 28.204 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.429 -14.692 30.034 1.00 0.00 N ATOM 0 H ASN B 27 103.454 -15.565 30.797 1.00 0.00 H new ATOM 0 HA ASN B 27 104.179 -13.452 30.308 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.308 -14.581 27.467 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.127 -13.132 28.014 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.198 -15.257 30.396 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.060 -13.919 30.587 1.00 0.00 H new ATOM 1262 N LEU B 28 101.507 -12.967 29.713 1.00 0.00 N ATOM 1263 CA LEU B 28 100.327 -12.130 29.315 1.00 0.00 C ATOM 1264 C LEU B 28 100.095 -11.051 30.383 1.00 0.00 C ATOM 1265 O LEU B 28 100.438 -11.239 31.533 1.00 0.00 O ATOM 1266 CB LEU B 28 99.096 -13.037 29.236 1.00 0.00 C ATOM 1267 CG LEU B 28 99.205 -13.960 28.013 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.197 -15.106 28.151 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.919 -13.174 26.716 1.00 0.00 C ATOM 0 H LEU B 28 101.406 -13.445 30.608 1.00 0.00 H new ATOM 0 HA LEU B 28 100.506 -11.655 28.350 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.013 -13.632 30.145 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.192 -12.432 29.167 1.00 0.00 H new ATOM 0 HG LEU B 28 100.217 -14.361 27.962 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.272 -15.763 27.284 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.413 -15.673 29.056 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.188 -14.698 28.211 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.001 -13.843 25.860 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.912 -12.758 26.757 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.642 -12.365 26.614 1.00 0.00 H new ATOM 1281 N PRO B 29 99.520 -9.924 30.019 1.00 0.00 N ATOM 1282 CA PRO B 29 99.253 -8.820 30.990 1.00 0.00 C ATOM 1283 C PRO B 29 98.079 -9.152 31.935 1.00 0.00 C ATOM 1284 O PRO B 29 97.178 -9.877 31.564 1.00 0.00 O ATOM 1285 CB PRO B 29 98.908 -7.628 30.088 1.00 0.00 C ATOM 1286 CG PRO B 29 98.318 -8.245 28.863 1.00 0.00 C ATOM 1287 CD PRO B 29 99.062 -9.569 28.659 1.00 0.00 C ATOM 0 HA PRO B 29 100.102 -8.634 31.648 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.201 -6.955 30.573 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.795 -7.041 29.849 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.248 -8.413 28.987 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.440 -7.591 27.999 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.409 -10.336 28.243 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.900 -9.456 27.971 1.00 0.00 H new ATOM 1295 N PRO B 30 98.080 -8.627 33.142 1.00 0.00 N ATOM 1296 CA PRO B 30 96.988 -8.884 34.127 1.00 0.00 C ATOM 1297 C PRO B 30 95.585 -8.871 33.493 1.00 0.00 C ATOM 1298 O PRO B 30 94.657 -9.449 34.023 1.00 0.00 O ATOM 1299 CB PRO B 30 97.138 -7.732 35.128 1.00 0.00 C ATOM 1300 CG PRO B 30 98.596 -7.389 35.114 1.00 0.00 C ATOM 1301 CD PRO B 30 99.117 -7.738 33.710 1.00 0.00 C ATOM 0 HA PRO B 30 97.075 -9.875 34.572 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.529 -6.876 34.838 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.813 -8.031 36.125 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.747 -6.332 35.331 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.134 -7.951 35.877 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.250 -6.843 33.102 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.085 -8.237 33.758 1.00 0.00 H new ATOM 1309 N VAL B 31 95.414 -8.208 32.378 1.00 0.00 N ATOM 1310 CA VAL B 31 94.060 -8.162 31.743 1.00 0.00 C ATOM 1311 C VAL B 31 93.584 -9.573 31.400 1.00 0.00 C ATOM 1312 O VAL B 31 92.478 -9.958 31.719 1.00 0.00 O ATOM 1313 CB VAL B 31 94.131 -7.333 30.451 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.838 -7.510 29.634 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.300 -5.855 30.810 1.00 0.00 C ATOM 0 H VAL B 31 96.146 -7.700 31.882 1.00 0.00 H new ATOM 0 HA VAL B 31 93.360 -7.708 32.444 1.00 0.00 H new ATOM 0 HB VAL B 31 94.978 -7.673 29.856 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.901 -6.918 28.721 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.711 -8.562 29.376 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.985 -7.176 30.225 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.351 -5.262 29.897 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.450 -5.527 31.409 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.219 -5.722 31.381 1.00 0.00 H new ATOM 1325 N VAL B 32 94.397 -10.337 30.732 1.00 0.00 N ATOM 1326 CA VAL B 32 93.972 -11.708 30.349 1.00 0.00 C ATOM 1327 C VAL B 32 93.955 -12.626 31.571 1.00 0.00 C ATOM 1328 O VAL B 32 93.068 -13.439 31.731 1.00 0.00 O ATOM 1329 CB VAL B 32 94.937 -12.270 29.311 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.534 -13.706 28.967 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.890 -11.401 28.051 1.00 0.00 C ATOM 0 H VAL B 32 95.336 -10.072 30.435 1.00 0.00 H new ATOM 0 HA VAL B 32 92.966 -11.657 29.932 1.00 0.00 H new ATOM 0 HB VAL B 32 95.951 -12.268 29.712 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.223 -14.109 28.225 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.570 -14.320 29.867 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.521 -13.713 28.564 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.579 -11.801 27.307 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.878 -11.402 27.646 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.179 -10.380 28.302 1.00 0.00 H new ATOM 1341 N ALA B 33 94.929 -12.515 32.431 1.00 0.00 N ATOM 1342 CA ALA B 33 94.956 -13.406 33.623 1.00 0.00 C ATOM 1343 C ALA B 33 93.691 -13.179 34.450 1.00 0.00 C ATOM 1344 O ALA B 33 93.002 -14.112 34.814 1.00 0.00 O ATOM 1345 CB ALA B 33 96.197 -13.097 34.465 1.00 0.00 C ATOM 0 H ALA B 33 95.701 -11.852 32.361 1.00 0.00 H new ATOM 0 HA ALA B 33 94.995 -14.448 33.304 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.216 -13.750 35.338 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.093 -13.264 33.867 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.166 -12.057 34.790 1.00 0.00 H new ATOM 1351 N LYS B 34 93.369 -11.953 34.737 1.00 0.00 N ATOM 1352 CA LYS B 34 92.135 -11.672 35.523 1.00 0.00 C ATOM 1353 C LYS B 34 90.901 -12.188 34.774 1.00 0.00 C ATOM 1354 O LYS B 34 89.982 -12.719 35.365 1.00 0.00 O ATOM 1355 CB LYS B 34 92.001 -10.169 35.754 1.00 0.00 C ATOM 1356 CG LYS B 34 93.084 -9.705 36.732 1.00 0.00 C ATOM 1357 CD LYS B 34 92.951 -8.198 36.962 1.00 0.00 C ATOM 1358 CE LYS B 34 94.032 -7.730 37.941 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.899 -6.261 38.153 1.00 0.00 N ATOM 0 H LYS B 34 93.906 -11.130 34.462 1.00 0.00 H new ATOM 0 HA LYS B 34 92.207 -12.182 36.484 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.097 -9.635 34.809 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.013 -9.938 36.152 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.988 -10.238 37.678 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.072 -9.937 36.334 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.048 -7.666 36.016 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.962 -7.966 37.358 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.933 -8.257 38.890 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.021 -7.965 37.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.631 -5.938 38.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.014 -5.767 37.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.959 -6.051 38.545 1.00 0.00 H new ATOM 1373 N GLU B 35 90.866 -12.021 33.479 1.00 0.00 N ATOM 1374 CA GLU B 35 89.682 -12.486 32.696 1.00 0.00 C ATOM 1375 C GLU B 35 89.523 -14.000 32.839 1.00 0.00 C ATOM 1376 O GLU B 35 88.426 -14.504 32.971 1.00 0.00 O ATOM 1377 CB GLU B 35 89.879 -12.142 31.216 1.00 0.00 C ATOM 1378 CG GLU B 35 88.581 -12.407 30.434 1.00 0.00 C ATOM 1379 CD GLU B 35 88.452 -13.902 30.127 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.468 -14.523 29.862 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.338 -14.399 30.162 1.00 0.00 O ATOM 0 H GLU B 35 91.605 -11.583 32.929 1.00 0.00 H new ATOM 0 HA GLU B 35 88.789 -11.990 33.076 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.168 -11.096 31.113 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.691 -12.739 30.801 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.722 -12.071 31.014 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.582 -11.835 29.506 1.00 0.00 H new ATOM 1388 N ILE B 36 90.603 -14.732 32.820 1.00 0.00 N ATOM 1389 CA ILE B 36 90.485 -16.208 32.962 1.00 0.00 C ATOM 1390 C ILE B 36 89.850 -16.506 34.319 1.00 0.00 C ATOM 1391 O ILE B 36 88.991 -17.357 34.444 1.00 0.00 O ATOM 1392 CB ILE B 36 91.874 -16.840 32.870 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.425 -16.626 31.459 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.776 -18.340 33.147 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.906 -16.999 31.425 1.00 0.00 C ATOM 0 H ILE B 36 91.553 -14.375 32.713 1.00 0.00 H new ATOM 0 HA ILE B 36 89.865 -16.624 32.168 1.00 0.00 H new ATOM 0 HB ILE B 36 92.534 -16.378 33.604 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.870 -17.234 30.745 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.295 -15.586 31.161 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.768 -18.788 33.081 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.372 -18.500 34.147 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.119 -18.804 32.411 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.297 -16.846 30.419 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.455 -16.372 32.127 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.024 -18.046 31.705 1.00 0.00 H new ATOM 1407 N VAL B 37 90.240 -15.777 35.329 1.00 0.00 N ATOM 1408 CA VAL B 37 89.636 -15.977 36.674 1.00 0.00 C ATOM 1409 C VAL B 37 88.168 -15.558 36.585 1.00 0.00 C ATOM 1410 O VAL B 37 87.290 -16.185 37.143 1.00 0.00 O ATOM 1411 CB VAL B 37 90.364 -15.093 37.694 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.608 -15.116 39.025 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.791 -15.613 37.900 1.00 0.00 C ATOM 0 H VAL B 37 90.953 -15.050 35.279 1.00 0.00 H new ATOM 0 HA VAL B 37 89.720 -17.017 36.988 1.00 0.00 H new ATOM 0 HB VAL B 37 90.405 -14.069 37.322 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.127 -14.487 39.749 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.596 -14.739 38.875 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.562 -16.139 39.400 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.307 -14.983 38.625 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.755 -16.638 38.270 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.328 -15.588 36.952 1.00 0.00 H new ATOM 1423 N ALA B 38 87.909 -14.492 35.876 1.00 0.00 N ATOM 1424 CA ALA B 38 86.511 -13.998 35.723 1.00 0.00 C ATOM 1425 C ALA B 38 85.654 -15.047 35.003 1.00 0.00 C ATOM 1426 O ALA B 38 84.441 -15.011 35.062 1.00 0.00 O ATOM 1427 CB ALA B 38 86.518 -12.697 34.913 1.00 0.00 C ATOM 0 H ALA B 38 88.614 -13.937 35.391 1.00 0.00 H new ATOM 0 HA ALA B 38 86.088 -13.815 36.711 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.497 -12.334 34.800 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.114 -11.948 35.434 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.948 -12.883 33.929 1.00 0.00 H new ATOM 1433 N SER B 39 86.268 -15.972 34.312 1.00 0.00 N ATOM 1434 CA SER B 39 85.474 -17.008 33.582 1.00 0.00 C ATOM 1435 C SER B 39 85.306 -18.236 34.474 1.00 0.00 C ATOM 1436 O SER B 39 84.261 -18.855 34.500 1.00 0.00 O ATOM 1437 CB SER B 39 86.209 -17.407 32.301 1.00 0.00 C ATOM 1438 OG SER B 39 86.554 -16.236 31.572 1.00 0.00 O ATOM 0 H SER B 39 87.280 -16.056 34.221 1.00 0.00 H new ATOM 0 HA SER B 39 84.495 -16.603 33.327 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.107 -17.975 32.545 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.578 -18.055 31.693 1.00 0.00 H new ATOM 0 HG SER B 39 87.265 -15.754 32.044 1.00 0.00 H new ATOM 1444 N CYS B 40 86.316 -18.586 35.217 1.00 0.00 N ATOM 1445 CA CYS B 40 86.196 -19.764 36.118 1.00 0.00 C ATOM 1446 C CYS B 40 85.061 -19.506 37.115 1.00 0.00 C ATOM 1447 O CYS B 40 84.974 -18.449 37.709 1.00 0.00 O ATOM 1448 CB CYS B 40 87.515 -19.978 36.862 1.00 0.00 C ATOM 1449 SG CYS B 40 87.572 -21.660 37.529 1.00 0.00 S ATOM 0 H CYS B 40 87.217 -18.109 35.240 1.00 0.00 H new ATOM 0 HA CYS B 40 85.975 -20.660 35.538 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.355 -19.815 36.187 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.610 -19.252 37.670 1.00 0.00 H new ATOM 1454 N ASP B 41 84.183 -20.453 37.289 1.00 0.00 N ATOM 1455 CA ASP B 41 83.044 -20.250 38.233 1.00 0.00 C ATOM 1456 C ASP B 41 83.504 -20.437 39.680 1.00 0.00 C ATOM 1457 O ASP B 41 82.989 -19.813 40.588 1.00 0.00 O ATOM 1458 CB ASP B 41 81.944 -21.266 37.920 1.00 0.00 C ATOM 1459 CG ASP B 41 81.288 -20.915 36.583 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.426 -19.780 36.158 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.658 -21.787 36.009 1.00 0.00 O ATOM 0 H ASP B 41 84.203 -21.359 36.820 1.00 0.00 H new ATOM 0 HA ASP B 41 82.665 -19.235 38.113 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.364 -22.271 37.878 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.198 -21.266 38.714 1.00 0.00 H new ATOM 1466 N LYS B 42 84.446 -21.308 39.912 1.00 0.00 N ATOM 1467 CA LYS B 42 84.909 -21.548 41.308 1.00 0.00 C ATOM 1468 C LYS B 42 85.692 -20.337 41.827 1.00 0.00 C ATOM 1469 O LYS B 42 85.560 -19.949 42.972 1.00 0.00 O ATOM 1470 CB LYS B 42 85.814 -22.782 41.324 1.00 0.00 C ATOM 1471 CG LYS B 42 84.969 -24.035 41.066 1.00 0.00 C ATOM 1472 CD LYS B 42 85.880 -25.243 40.791 1.00 0.00 C ATOM 1473 CE LYS B 42 86.569 -25.696 42.085 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.548 -25.911 43.149 1.00 0.00 N ATOM 0 H LYS B 42 84.915 -21.864 39.197 1.00 0.00 H new ATOM 0 HA LYS B 42 84.043 -21.706 41.951 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.588 -22.689 40.563 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.321 -22.863 42.286 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.334 -24.238 41.928 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.308 -23.868 40.216 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.293 -26.063 40.377 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.630 -24.979 40.045 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.125 -26.617 41.909 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.291 -24.945 42.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.845 -26.697 43.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.452 -25.046 43.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.633 -26.140 42.711 1.00 0.00 H new ATOM 1488 N CYS B 43 86.510 -19.737 41.001 1.00 0.00 N ATOM 1489 CA CYS B 43 87.305 -18.555 41.457 1.00 0.00 C ATOM 1490 C CYS B 43 86.495 -17.266 41.290 1.00 0.00 C ATOM 1491 O CYS B 43 86.951 -16.194 41.634 1.00 0.00 O ATOM 1492 CB CYS B 43 88.598 -18.456 40.648 1.00 0.00 C ATOM 1493 SG CYS B 43 89.539 -19.993 40.831 1.00 0.00 S ATOM 0 H CYS B 43 86.662 -20.013 40.031 1.00 0.00 H new ATOM 0 HA CYS B 43 87.545 -18.685 42.512 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.370 -18.279 39.597 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.192 -17.609 40.992 1.00 0.00 H new ATOM 1498 N GLN B 44 85.303 -17.349 40.762 1.00 0.00 N ATOM 1499 CA GLN B 44 84.491 -16.109 40.579 1.00 0.00 C ATOM 1500 C GLN B 44 84.059 -15.574 41.947 1.00 0.00 C ATOM 1501 O GLN B 44 84.370 -14.458 42.315 1.00 0.00 O ATOM 1502 CB GLN B 44 83.248 -16.428 39.744 1.00 0.00 C ATOM 1503 CG GLN B 44 82.535 -15.126 39.357 1.00 0.00 C ATOM 1504 CD GLN B 44 83.375 -14.361 38.333 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.592 -13.086 38.510 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.836 -14.926 37.360 1.00 0.00 N flip ATOM 0 H GLN B 44 84.859 -18.213 40.452 1.00 0.00 H new ATOM 0 HA GLN B 44 85.091 -15.358 40.066 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.532 -16.978 38.847 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.573 -17.069 40.311 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.552 -15.348 38.942 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.375 -14.511 40.243 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.667 -15.922 37.221 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.392 -14.404 36.683 1.00 0.00 H new ATOM 1515 N LEU B 45 83.347 -16.361 42.704 1.00 0.00 N ATOM 1516 CA LEU B 45 82.895 -15.901 44.053 1.00 0.00 C ATOM 1517 C LEU B 45 83.971 -16.241 45.089 1.00 0.00 C ATOM 1518 O LEU B 45 84.560 -17.304 45.058 1.00 0.00 O ATOM 1519 CB LEU B 45 81.590 -16.612 44.422 1.00 0.00 C ATOM 1520 CG LEU B 45 80.516 -16.327 43.364 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.244 -17.106 43.713 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.200 -14.821 43.319 1.00 0.00 C ATOM 0 H LEU B 45 83.057 -17.305 42.449 1.00 0.00 H new ATOM 0 HA LEU B 45 82.730 -14.824 44.037 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.761 -17.686 44.498 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.247 -16.274 45.400 1.00 0.00 H new ATOM 0 HG LEU B 45 80.885 -16.639 42.387 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.478 -16.906 42.964 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.464 -18.173 43.731 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.883 -16.793 44.693 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.437 -14.632 42.564 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.835 -14.496 44.294 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.104 -14.267 43.067 1.00 0.00 H new ATOM 1534 N LYS B 46 84.233 -15.350 46.006 1.00 0.00 N ATOM 1535 CA LYS B 46 85.271 -15.626 47.040 1.00 0.00 C ATOM 1536 C LYS B 46 84.687 -16.545 48.119 1.00 0.00 C ATOM 1537 O LYS B 46 83.610 -16.312 48.630 1.00 0.00 O ATOM 1538 CB LYS B 46 85.715 -14.307 47.680 1.00 0.00 C ATOM 1539 CG LYS B 46 86.490 -13.474 46.652 1.00 0.00 C ATOM 1540 CD LYS B 46 87.020 -12.187 47.304 1.00 0.00 C ATOM 1541 CE LYS B 46 85.861 -11.236 47.629 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.399 -9.866 47.861 1.00 0.00 N ATOM 0 H LYS B 46 83.773 -14.443 46.084 1.00 0.00 H new ATOM 0 HA LYS B 46 86.128 -16.112 46.574 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.846 -13.751 48.033 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.342 -14.505 48.550 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.320 -14.056 46.252 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.842 -13.225 45.812 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.565 -12.431 48.216 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.725 -11.696 46.633 1.00 0.00 H new ATOM 0 HE2 LYS B 46 85.144 -11.224 46.808 1.00 0.00 H new ATOM 0 HE3 LYS B 46 85.327 -11.584 48.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 85.616 -9.218 48.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 87.067 -9.886 48.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 86.890 -9.536 47.006 1.00 0.00 H new ATOM 1556 N GLY B 47 85.390 -17.591 48.467 1.00 0.00 N ATOM 1557 CA GLY B 47 84.881 -18.526 49.515 1.00 0.00 C ATOM 1558 C GLY B 47 83.407 -18.853 49.254 1.00 0.00 C ATOM 1559 O GLY B 47 82.990 -19.038 48.128 1.00 0.00 O ATOM 0 H GLY B 47 86.296 -17.839 48.070 1.00 0.00 H new ATOM 0 HA2 GLY B 47 85.471 -19.442 49.514 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.993 -18.076 50.501 1.00 0.00 H new ATOM 1563 N GLU B 48 82.618 -18.922 50.293 1.00 0.00 N ATOM 1564 CA GLU B 48 81.168 -19.231 50.123 1.00 0.00 C ATOM 1565 C GLU B 48 80.422 -17.948 49.744 1.00 0.00 C ATOM 1566 O GLU B 48 80.754 -16.872 50.200 1.00 0.00 O ATOM 1567 CB GLU B 48 80.618 -19.790 51.442 1.00 0.00 C ATOM 1568 CG GLU B 48 79.130 -20.116 51.294 1.00 0.00 C ATOM 1569 CD GLU B 48 78.620 -20.751 52.590 1.00 0.00 C ATOM 1570 OE1 GLU B 48 79.435 -20.995 53.466 1.00 0.00 O ATOM 1571 OE2 GLU B 48 77.427 -20.985 52.684 1.00 0.00 O ATOM 0 H GLU B 48 82.917 -18.777 51.257 1.00 0.00 H new ATOM 0 HA GLU B 48 81.031 -19.970 49.334 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.169 -20.687 51.724 1.00 0.00 H new ATOM 0 HB3 GLU B 48 80.762 -19.064 52.242 1.00 0.00 H new ATOM 0 HG2 GLU B 48 78.567 -19.209 51.074 1.00 0.00 H new ATOM 0 HG3 GLU B 48 78.977 -20.797 50.457 1.00 0.00 H new ATOM 1578 N ALA B 49 79.421 -18.047 48.908 1.00 0.00 N ATOM 1579 CA ALA B 49 78.670 -16.822 48.503 1.00 0.00 C ATOM 1580 C ALA B 49 77.875 -16.288 49.690 1.00 0.00 C ATOM 1581 O ALA B 49 77.790 -15.096 49.903 1.00 0.00 O ATOM 1582 CB ALA B 49 77.706 -17.149 47.362 1.00 0.00 C ATOM 0 H ALA B 49 79.093 -18.918 48.490 1.00 0.00 H new ATOM 0 HA ALA B 49 79.384 -16.069 48.169 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.163 -16.248 47.075 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.268 -17.522 46.506 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.998 -17.910 47.691 1.00 0.00 H new ATOM 1588 N MET B 50 77.287 -17.154 50.467 1.00 0.00 N ATOM 1589 CA MET B 50 76.499 -16.675 51.634 1.00 0.00 C ATOM 1590 C MET B 50 77.462 -16.144 52.698 1.00 0.00 C ATOM 1591 O MET B 50 78.512 -16.707 52.936 1.00 0.00 O ATOM 1592 CB MET B 50 75.668 -17.833 52.198 1.00 0.00 C ATOM 1593 CG MET B 50 74.718 -18.347 51.112 1.00 0.00 C ATOM 1594 SD MET B 50 73.465 -17.087 50.744 1.00 0.00 S ATOM 1595 CE MET B 50 72.392 -17.357 52.179 1.00 0.00 C ATOM 0 H MET B 50 77.318 -18.166 50.345 1.00 0.00 H new ATOM 0 HA MET B 50 75.824 -15.876 51.329 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.323 -18.636 52.535 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.100 -17.500 53.067 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.280 -18.589 50.210 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.236 -19.267 51.443 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.418 -16.903 51.996 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.268 -18.427 52.344 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.844 -16.904 53.061 1.00 0.00 H new ATOM 1605 N HIS B 51 77.116 -15.054 53.329 1.00 0.00 N ATOM 1606 CA HIS B 51 78.013 -14.469 54.367 1.00 0.00 C ATOM 1607 C HIS B 51 79.414 -14.277 53.781 1.00 0.00 C ATOM 1608 O HIS B 51 80.407 -14.542 54.426 1.00 0.00 O ATOM 1609 CB HIS B 51 78.088 -15.404 55.576 1.00 0.00 C ATOM 1610 CG HIS B 51 76.718 -15.552 56.170 1.00 0.00 C ATOM 1611 ND1 HIS B 51 75.850 -16.562 55.781 1.00 0.00 N ATOM 1612 CD2 HIS B 51 76.044 -14.819 57.114 1.00 0.00 C ATOM 1613 CE1 HIS B 51 74.712 -16.410 56.480 1.00 0.00 C ATOM 1614 NE2 HIS B 51 74.779 -15.364 57.305 1.00 0.00 N ATOM 0 H HIS B 51 76.248 -14.542 53.170 1.00 0.00 H new ATOM 0 HA HIS B 51 77.615 -13.505 54.684 1.00 0.00 H new ATOM 0 HB2 HIS B 51 78.474 -16.378 55.275 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.778 -15.003 56.318 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.435 -13.954 57.628 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.851 -17.055 56.385 1.00 0.00 H new ATOM 0 HE2 HIS B 51 74.054 -15.033 57.942 1.00 0.00 H new ATOM 1623 N GLY B 52 79.500 -13.822 52.561 1.00 0.00 N ATOM 1624 CA GLY B 52 80.839 -13.620 51.938 1.00 0.00 C ATOM 1625 C GLY B 52 81.653 -12.633 52.777 1.00 0.00 C ATOM 1626 O GLY B 52 81.152 -11.620 53.224 1.00 0.00 O ATOM 0 H GLY B 52 78.704 -13.582 51.970 1.00 0.00 H new ATOM 0 HA2 GLY B 52 81.365 -14.572 51.866 1.00 0.00 H new ATOM 0 HA3 GLY B 52 80.725 -13.242 50.922 1.00 0.00 H new ATOM 1630 N GLN B 53 82.907 -12.923 52.992 1.00 0.00 N ATOM 1631 CA GLN B 53 83.760 -12.004 53.798 1.00 0.00 C ATOM 1632 C GLN B 53 84.235 -10.851 52.911 1.00 0.00 C ATOM 1633 O GLN B 53 84.717 -11.058 51.816 1.00 0.00 O ATOM 1634 CB GLN B 53 84.974 -12.768 54.330 1.00 0.00 C ATOM 1635 CG GLN B 53 85.743 -11.893 55.323 1.00 0.00 C ATOM 1636 CD GLN B 53 84.901 -11.680 56.582 1.00 0.00 C ATOM 1637 OE1 GLN B 53 84.482 -12.630 57.214 1.00 0.00 O ATOM 1638 NE2 GLN B 53 84.633 -10.466 56.976 1.00 0.00 N ATOM 0 H GLN B 53 83.378 -13.758 52.644 1.00 0.00 H new ATOM 0 HA GLN B 53 83.184 -11.611 54.636 1.00 0.00 H new ATOM 0 HB2 GLN B 53 84.651 -13.689 54.816 1.00 0.00 H new ATOM 0 HB3 GLN B 53 85.625 -13.055 53.504 1.00 0.00 H new ATOM 0 HG2 GLN B 53 86.690 -12.367 55.583 1.00 0.00 H new ATOM 0 HG3 GLN B 53 85.982 -10.932 54.867 1.00 0.00 H new ATOM 0 HE21 GLN B 53 84.984 -9.669 56.446 1.00 0.00 H new ATOM 0 HE22 GLN B 53 84.072 -10.314 57.814 1.00 0.00 H new ATOM 1647 N VAL B 54 84.106 -9.639 53.376 1.00 0.00 N ATOM 1648 CA VAL B 54 84.553 -8.471 52.563 1.00 0.00 C ATOM 1649 C VAL B 54 86.016 -8.169 52.885 1.00 0.00 C ATOM 1650 O VAL B 54 86.912 -8.512 52.139 1.00 0.00 O ATOM 1651 CB VAL B 54 83.691 -7.255 52.909 1.00 0.00 C ATOM 1652 CG1 VAL B 54 84.208 -6.032 52.152 1.00 0.00 C ATOM 1653 CG2 VAL B 54 82.240 -7.527 52.503 1.00 0.00 C ATOM 0 H VAL B 54 83.709 -9.406 54.286 1.00 0.00 H new ATOM 0 HA VAL B 54 84.451 -8.697 51.502 1.00 0.00 H new ATOM 0 HB VAL B 54 83.741 -7.068 53.982 1.00 0.00 H new ATOM 0 HG11 VAL B 54 83.594 -5.165 52.398 1.00 0.00 H new ATOM 0 HG12 VAL B 54 85.242 -5.837 52.438 1.00 0.00 H new ATOM 0 HG13 VAL B 54 84.157 -6.220 51.079 1.00 0.00 H new ATOM 0 HG21 VAL B 54 81.625 -6.661 52.749 1.00 0.00 H new ATOM 0 HG22 VAL B 54 82.191 -7.714 51.430 1.00 0.00 H new ATOM 0 HG23 VAL B 54 81.869 -8.400 53.040 1.00 0.00 H new ATOM 1663 N ASP B 55 86.262 -7.535 53.998 1.00 0.00 N ATOM 1664 CA ASP B 55 87.666 -7.210 54.386 1.00 0.00 C ATOM 1665 C ASP B 55 88.248 -8.377 55.186 1.00 0.00 C ATOM 1666 O ASP B 55 88.927 -8.117 56.166 1.00 0.00 O ATOM 1667 CB ASP B 55 87.673 -5.946 55.249 1.00 0.00 C ATOM 1668 CG ASP B 55 86.898 -6.208 56.541 1.00 0.00 C ATOM 1669 OD1 ASP B 55 86.230 -7.226 56.612 1.00 0.00 O ATOM 1670 OD2 ASP B 55 86.983 -5.384 57.436 1.00 0.00 O ATOM 1671 OXT ASP B 55 88.002 -9.510 54.807 1.00 0.00 O ATOM 0 H ASP B 55 85.549 -7.226 54.659 1.00 0.00 H new ATOM 0 HA ASP B 55 88.267 -7.043 53.492 1.00 0.00 H new ATOM 0 HB2 ASP B 55 88.698 -5.656 55.479 1.00 0.00 H new ATOM 0 HB3 ASP B 55 87.222 -5.117 54.703 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.623 -1.711 35.985 1.00 0.00 CD HETATM 1678 CD CD B 56 89.812 -21.659 38.822 1.00 0.00 CD