USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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 68 TYR OH : rot 90:sc= 0.239 USER MOD Set 1.2: A 100 ASN : amide:sc= 0.255 K(o=0.49,f=-0.31) USER MOD Set 2.1: A 12 TYR OH : rot 30:sc= 0.563 USER MOD Set 2.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 102 LYS NZ :NH3+ -147:sc= 0.634 (180deg=0) USER MOD Single : A 9 SER OG : rot -95:sc= 0.4 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 18 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0.026) USER MOD Single : A 30 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 32 ASN : amide:sc= -0.725 K(o=-0.73,f=-1.3) USER MOD Single : A 33 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.48 X(o=-4.5,f=-4.5) USER MOD Single : A 42 SER OG : rot -31:sc= 1.12 USER MOD Single : A 44 THR OG1 : rot -99:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.25) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 73 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.2!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -158:sc= -0.799 (180deg=-1.58) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -1.97 (180deg=-2.98) USER MOD Single : A 89 LYS NZ :NH3+ -140:sc= 0.234 (180deg=0.0204) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.159 F(o=-1.7!,f=0.16) USER MOD Single : A 93 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.0043) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 30:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.601 7.851 4.814 1.00 0.00 N ATOM 88 CA SER A 9 7.574 6.621 4.029 1.00 0.00 C ATOM 89 C SER A 9 7.862 5.408 4.908 1.00 0.00 C ATOM 90 O SER A 9 8.851 5.380 5.640 1.00 0.00 O ATOM 91 CB SER A 9 8.595 6.694 2.892 1.00 0.00 C ATOM 92 OG SER A 9 8.012 7.227 1.716 1.00 0.00 O ATOM 0 HA SER A 9 6.576 6.512 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.439 7.313 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.988 5.698 2.688 1.00 0.00 H new ATOM 0 HG SER A 9 7.708 6.494 1.141 1.00 0.00 H new ATOM 98 N LEU A 10 6.992 4.407 4.831 1.00 0.00 N ATOM 99 CA LEU A 10 7.154 3.191 5.620 1.00 0.00 C ATOM 100 C LEU A 10 8.209 2.280 5.001 1.00 0.00 C ATOM 101 O LEU A 10 8.147 1.954 3.816 1.00 0.00 O ATOM 102 CB LEU A 10 5.819 2.450 5.733 1.00 0.00 C ATOM 103 CG LEU A 10 5.116 2.585 7.084 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.607 2.534 6.908 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.581 1.495 8.037 1.00 0.00 C ATOM 0 H LEU A 10 6.168 4.413 4.230 1.00 0.00 H new ATOM 0 HA LEU A 10 7.487 3.474 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.150 2.817 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.990 1.392 5.534 1.00 0.00 H new ATOM 0 HG LEU A 10 5.378 3.552 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.124 2.632 7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.288 3.351 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.325 1.583 6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.071 1.606 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.349 0.518 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.657 1.579 8.188 1.00 0.00 H new ATOM 117 N LYS A 11 9.180 1.870 5.814 1.00 0.00 N ATOM 118 CA LYS A 11 10.249 0.995 5.348 1.00 0.00 C ATOM 119 C LYS A 11 10.122 -0.394 5.963 1.00 0.00 C ATOM 120 O LYS A 11 10.513 -0.616 7.109 1.00 0.00 O ATOM 121 CB LYS A 11 11.613 1.596 5.694 1.00 0.00 C ATOM 122 CG LYS A 11 12.015 2.751 4.791 1.00 0.00 C ATOM 123 CD LYS A 11 13.094 2.339 3.802 1.00 0.00 C ATOM 124 CE LYS A 11 12.888 2.996 2.447 1.00 0.00 C ATOM 125 NZ LYS A 11 13.690 4.242 2.306 1.00 0.00 N ATOM 0 H LYS A 11 9.247 2.130 6.798 1.00 0.00 H new ATOM 0 HA LYS A 11 10.164 0.902 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.597 1.942 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.371 0.816 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.141 3.110 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.376 3.581 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.073 2.613 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.089 1.255 3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.164 2.296 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.831 3.227 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.521 4.659 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.409 4.921 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.700 4.018 2.408 1.00 0.00 H new ATOM 139 N TYR A 12 9.572 -1.329 5.192 1.00 0.00 N ATOM 140 CA TYR A 12 9.393 -2.699 5.661 1.00 0.00 C ATOM 141 C TYR A 12 10.115 -3.684 4.747 1.00 0.00 C ATOM 142 O TYR A 12 10.316 -3.414 3.563 1.00 0.00 O ATOM 143 CB TYR A 12 7.904 -3.044 5.733 1.00 0.00 C ATOM 144 CG TYR A 12 7.332 -2.976 7.131 1.00 0.00 C ATOM 145 CD1 TYR A 12 7.663 -3.929 8.085 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.461 -1.956 7.496 1.00 0.00 C ATOM 147 CE1 TYR A 12 7.144 -3.870 9.363 1.00 0.00 C ATOM 148 CE2 TYR A 12 5.938 -1.890 8.772 1.00 0.00 C ATOM 149 CZ TYR A 12 6.281 -2.849 9.702 1.00 0.00 C ATOM 150 OH TYR A 12 5.762 -2.786 10.975 1.00 0.00 O ATOM 0 H TYR A 12 9.243 -1.162 4.241 1.00 0.00 H new ATOM 0 HA TYR A 12 9.824 -2.776 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.350 -2.360 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.753 -4.048 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.338 -4.730 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.189 -1.204 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.412 -4.619 10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.263 -1.091 9.041 1.00 0.00 H new ATOM 0 HH TYR A 12 6.401 -3.175 11.608 1.00 0.00 H new ATOM 160 N THR A 13 10.502 -4.826 5.306 1.00 0.00 N ATOM 161 CA THR A 13 11.201 -5.852 4.542 1.00 0.00 C ATOM 162 C THR A 13 10.356 -7.117 4.428 1.00 0.00 C ATOM 163 O THR A 13 9.476 -7.363 5.253 1.00 0.00 O ATOM 164 CB THR A 13 12.543 -6.180 5.198 1.00 0.00 C ATOM 165 OG1 THR A 13 12.405 -6.274 6.604 1.00 0.00 O ATOM 166 CG2 THR A 13 13.617 -5.153 4.910 1.00 0.00 C ATOM 0 H THR A 13 10.343 -5.064 6.285 1.00 0.00 H new ATOM 0 HA THR A 13 11.379 -5.464 3.539 1.00 0.00 H new ATOM 0 HB THR A 13 12.849 -7.133 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.274 -6.486 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.543 -5.446 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.784 -5.093 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.299 -4.179 5.283 1.00 0.00 H new ATOM 174 N ALA A 14 10.631 -7.916 3.402 1.00 0.00 N ATOM 175 CA ALA A 14 9.896 -9.157 3.181 1.00 0.00 C ATOM 176 C ALA A 14 10.023 -10.089 4.382 1.00 0.00 C ATOM 177 O ALA A 14 9.057 -10.743 4.777 1.00 0.00 O ATOM 178 CB ALA A 14 10.394 -9.846 1.921 1.00 0.00 C ATOM 0 H ALA A 14 11.357 -7.727 2.711 1.00 0.00 H new ATOM 0 HA ALA A 14 8.842 -8.911 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.837 -10.771 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.248 -9.188 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.455 -10.074 2.026 1.00 0.00 H new ATOM 184 N ALA A 15 11.219 -10.144 4.958 1.00 0.00 N ATOM 185 CA ALA A 15 11.472 -10.994 6.114 1.00 0.00 C ATOM 186 C ALA A 15 10.727 -10.484 7.342 1.00 0.00 C ATOM 187 O ALA A 15 10.195 -11.269 8.127 1.00 0.00 O ATOM 188 CB ALA A 15 12.966 -11.072 6.394 1.00 0.00 C ATOM 0 H ALA A 15 12.028 -9.609 4.643 1.00 0.00 H new ATOM 0 HA ALA A 15 11.104 -11.995 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.141 -11.710 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.477 -11.489 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.351 -10.072 6.596 1.00 0.00 H new ATOM 194 N ARG A 16 10.693 -9.165 7.502 1.00 0.00 N ATOM 195 CA ARG A 16 10.013 -8.551 8.636 1.00 0.00 C ATOM 196 C ARG A 16 8.513 -8.824 8.582 1.00 0.00 C ATOM 197 O ARG A 16 7.855 -8.933 9.617 1.00 0.00 O ATOM 198 CB ARG A 16 10.269 -7.043 8.655 1.00 0.00 C ATOM 199 CG ARG A 16 9.850 -6.370 9.952 1.00 0.00 C ATOM 200 CD ARG A 16 10.729 -6.806 11.114 1.00 0.00 C ATOM 201 NE ARG A 16 12.114 -6.371 10.946 1.00 0.00 N ATOM 202 CZ ARG A 16 12.539 -5.136 11.198 1.00 0.00 C ATOM 203 NH1 ARG A 16 11.691 -4.209 11.631 1.00 0.00 N ATOM 204 NH2 ARG A 16 13.816 -4.824 11.019 1.00 0.00 N ATOM 0 H ARG A 16 11.128 -8.502 6.861 1.00 0.00 H new ATOM 0 HA ARG A 16 10.412 -8.991 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.331 -6.861 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.732 -6.581 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.907 -5.288 9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.810 -6.613 10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.331 -6.398 12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.698 -7.892 11.204 1.00 0.00 H new ATOM 0 HE ARG A 16 12.795 -7.055 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.708 -4.443 11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.023 -3.264 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.472 -5.531 10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.142 -3.877 11.212 1.00 0.00 H new ATOM 218 N LEU A 17 7.980 -8.933 7.370 1.00 0.00 N ATOM 219 CA LEU A 17 6.558 -9.194 7.182 1.00 0.00 C ATOM 220 C LEU A 17 6.263 -10.687 7.271 1.00 0.00 C ATOM 221 O LEU A 17 5.255 -11.099 7.848 1.00 0.00 O ATOM 222 CB LEU A 17 6.093 -8.652 5.828 1.00 0.00 C ATOM 223 CG LEU A 17 6.357 -7.162 5.602 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.352 -6.839 4.116 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.323 -6.322 6.336 1.00 0.00 C ATOM 0 H LEU A 17 8.511 -8.845 6.504 1.00 0.00 H new ATOM 0 HA LEU A 17 6.013 -8.685 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.588 -9.217 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.023 -8.835 5.728 1.00 0.00 H new ATOM 0 HG LEU A 17 7.342 -6.921 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.541 -5.775 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.130 -7.416 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.381 -7.094 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.525 -5.265 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.327 -6.566 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.375 -6.533 7.404 1.00 0.00 H new ATOM 237 N HIS A 18 7.148 -11.496 6.697 1.00 0.00 N ATOM 238 CA HIS A 18 6.983 -12.945 6.712 1.00 0.00 C ATOM 239 C HIS A 18 6.951 -13.474 8.142 1.00 0.00 C ATOM 240 O HIS A 18 6.214 -14.412 8.451 1.00 0.00 O ATOM 241 CB HIS A 18 8.116 -13.617 5.934 1.00 0.00 C ATOM 242 CG HIS A 18 7.983 -15.105 5.848 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.975 -15.974 6.252 1.00 0.00 N ATOM 244 CD2 HIS A 18 6.965 -15.880 5.404 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.574 -17.218 6.058 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.358 -17.188 5.545 1.00 0.00 N ATOM 0 H HIS A 18 7.987 -11.172 6.216 1.00 0.00 H new ATOM 0 HA HIS A 18 6.032 -13.182 6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.148 -13.205 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.066 -13.372 6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.020 -15.534 5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.144 -18.108 6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.801 -18.004 5.294 1.00 0.00 H new ATOM 255 N GLU A 19 7.753 -12.869 9.011 1.00 0.00 N ATOM 256 CA GLU A 19 7.816 -13.279 10.409 1.00 0.00 C ATOM 257 C GLU A 19 6.553 -12.863 11.156 1.00 0.00 C ATOM 258 O GLU A 19 6.125 -13.535 12.095 1.00 0.00 O ATOM 259 CB GLU A 19 9.047 -12.673 11.086 1.00 0.00 C ATOM 260 CG GLU A 19 10.358 -13.061 10.423 1.00 0.00 C ATOM 261 CD GLU A 19 10.996 -14.279 11.063 1.00 0.00 C ATOM 262 OE1 GLU A 19 11.727 -14.111 12.061 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.765 -15.401 10.564 1.00 0.00 O ATOM 0 H GLU A 19 8.369 -12.092 8.772 1.00 0.00 H new ATOM 0 HA GLU A 19 7.892 -14.366 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.955 -11.587 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.070 -12.988 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.181 -13.261 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.051 -12.221 10.477 1.00 0.00 H new ATOM 270 N LYS A 20 5.960 -11.752 10.732 1.00 0.00 N ATOM 271 CA LYS A 20 4.745 -11.247 11.361 1.00 0.00 C ATOM 272 C LYS A 20 3.525 -12.042 10.906 1.00 0.00 C ATOM 273 O LYS A 20 2.562 -12.202 11.654 1.00 0.00 O ATOM 274 CB LYS A 20 4.553 -9.765 11.032 1.00 0.00 C ATOM 275 CG LYS A 20 5.655 -8.873 11.584 1.00 0.00 C ATOM 276 CD LYS A 20 5.671 -7.516 10.897 1.00 0.00 C ATOM 277 CE LYS A 20 5.161 -6.419 11.818 1.00 0.00 C ATOM 278 NZ LYS A 20 6.264 -5.791 12.597 1.00 0.00 N ATOM 0 H LYS A 20 6.301 -11.184 9.956 1.00 0.00 H new ATOM 0 HA LYS A 20 4.850 -11.363 12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.507 -9.644 9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.594 -9.434 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.512 -8.737 12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.621 -9.361 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.686 -7.281 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.054 -7.554 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.653 -5.656 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.423 -6.835 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.875 -5.048 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.733 -6.514 13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.956 -5.372 11.943 1.00 0.00 H new ATOM 292 N GLY A 21 3.574 -12.538 9.673 1.00 0.00 N ATOM 293 CA GLY A 21 2.467 -13.312 9.140 1.00 0.00 C ATOM 294 C GLY A 21 1.867 -12.691 7.893 1.00 0.00 C ATOM 295 O GLY A 21 1.210 -13.373 7.107 1.00 0.00 O ATOM 0 H GLY A 21 4.360 -12.418 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.811 -14.320 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.694 -13.406 9.903 1.00 0.00 H new ATOM 299 N VAL A 22 2.091 -11.392 7.709 1.00 0.00 N ATOM 300 CA VAL A 22 1.565 -10.682 6.549 1.00 0.00 C ATOM 301 C VAL A 22 2.029 -11.329 5.247 1.00 0.00 C ATOM 302 O VAL A 22 1.219 -11.843 4.476 1.00 0.00 O ATOM 303 CB VAL A 22 1.995 -9.201 6.555 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.309 -8.441 5.429 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.692 -8.562 7.903 1.00 0.00 C ATOM 0 H VAL A 22 2.633 -10.811 8.349 1.00 0.00 H new ATOM 0 HA VAL A 22 0.478 -10.739 6.611 1.00 0.00 H new ATOM 0 HB VAL A 22 3.071 -9.153 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.625 -7.398 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.582 -8.884 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.228 -8.496 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.002 -7.517 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.622 -8.620 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.235 -9.091 8.687 1.00 0.00 H new ATOM 315 N LEU A 23 3.336 -11.301 5.009 1.00 0.00 N ATOM 316 CA LEU A 23 3.906 -11.884 3.801 1.00 0.00 C ATOM 317 C LEU A 23 3.917 -13.407 3.884 1.00 0.00 C ATOM 318 O LEU A 23 4.389 -13.981 4.866 1.00 0.00 O ATOM 319 CB LEU A 23 5.327 -11.364 3.577 1.00 0.00 C ATOM 320 CG LEU A 23 5.819 -11.427 2.130 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.849 -10.710 1.205 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.212 -10.825 2.015 1.00 0.00 C ATOM 0 H LEU A 23 4.020 -10.880 5.637 1.00 0.00 H new ATOM 0 HA LEU A 23 3.282 -11.588 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.377 -10.330 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.010 -11.938 4.202 1.00 0.00 H new ATOM 0 HG LEU A 23 5.870 -12.473 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.216 -10.765 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.870 -11.185 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.765 -9.665 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.547 -10.878 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.186 -9.783 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.902 -11.382 2.648 1.00 0.00 H new ATOM 334 N LEU A 24 3.394 -14.056 2.849 1.00 0.00 N ATOM 335 CA LEU A 24 3.344 -15.514 2.807 1.00 0.00 C ATOM 336 C LEU A 24 4.577 -16.080 2.110 1.00 0.00 C ATOM 337 O LEU A 24 5.420 -16.717 2.741 1.00 0.00 O ATOM 338 CB LEU A 24 2.077 -15.981 2.087 1.00 0.00 C ATOM 339 CG LEU A 24 0.770 -15.416 2.646 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.322 -15.451 1.588 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.342 -16.192 3.883 1.00 0.00 C ATOM 0 H LEU A 24 2.999 -13.596 2.029 1.00 0.00 H new ATOM 0 HA LEU A 24 3.327 -15.882 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.153 -15.707 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.033 -17.069 2.130 1.00 0.00 H new ATOM 0 HG LEU A 24 0.937 -14.377 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.244 -15.045 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.017 -14.852 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.489 -16.481 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.590 -15.777 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.192 -17.240 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.116 -16.116 4.646 1.00 0.00 H new ATOM 353 N GLU A 25 4.676 -15.843 0.806 1.00 0.00 N ATOM 354 CA GLU A 25 5.808 -16.330 0.025 1.00 0.00 C ATOM 355 C GLU A 25 5.951 -15.546 -1.275 1.00 0.00 C ATOM 356 O GLU A 25 5.171 -14.634 -1.552 1.00 0.00 O ATOM 357 CB GLU A 25 5.640 -17.819 -0.284 1.00 0.00 C ATOM 358 CG GLU A 25 5.992 -18.726 0.884 1.00 0.00 C ATOM 359 CD GLU A 25 6.138 -20.178 0.471 1.00 0.00 C ATOM 360 OE1 GLU A 25 5.282 -20.665 -0.298 1.00 0.00 O ATOM 361 OE2 GLU A 25 7.107 -20.827 0.918 1.00 0.00 O ATOM 0 H GLU A 25 3.987 -15.317 0.268 1.00 0.00 H new ATOM 0 HA GLU A 25 6.712 -16.187 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.608 -18.006 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.268 -18.078 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.923 -18.385 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.219 -18.645 1.648 1.00 0.00 H new ATOM 368 N ILE A 26 6.954 -15.907 -2.069 1.00 0.00 N ATOM 369 CA ILE A 26 7.201 -15.240 -3.340 1.00 0.00 C ATOM 370 C ILE A 26 7.600 -16.244 -4.415 1.00 0.00 C ATOM 371 O ILE A 26 8.345 -17.188 -4.151 1.00 0.00 O ATOM 372 CB ILE A 26 8.307 -14.176 -3.211 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.042 -13.276 -2.002 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.398 -13.349 -4.484 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.194 -12.353 -1.672 1.00 0.00 C ATOM 0 H ILE A 26 7.609 -16.659 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 26 6.270 -14.751 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 26 9.261 -14.682 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.151 -12.678 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.827 -13.900 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.184 -12.602 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.630 -14.001 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.445 -12.850 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.936 -11.745 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.082 -12.945 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.395 -11.703 -2.524 1.00 0.00 H new ATOM 387 N GLU A 27 7.101 -16.035 -5.629 1.00 0.00 N ATOM 388 CA GLU A 27 7.408 -16.924 -6.745 1.00 0.00 C ATOM 389 C GLU A 27 8.659 -16.458 -7.483 1.00 0.00 C ATOM 390 O GLU A 27 8.654 -16.312 -8.706 1.00 0.00 O ATOM 391 CB GLU A 27 6.222 -16.988 -7.711 1.00 0.00 C ATOM 392 CG GLU A 27 4.979 -17.622 -7.108 1.00 0.00 C ATOM 393 CD GLU A 27 4.723 -19.021 -7.634 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.846 -19.225 -8.860 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.400 -19.911 -6.821 1.00 0.00 O ATOM 0 H GLU A 27 6.483 -15.259 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 27 7.596 -17.920 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.980 -15.978 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.515 -17.553 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.084 -17.659 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.115 -16.994 -7.323 1.00 0.00 H new ATOM 402 N ASP A 28 9.733 -16.229 -6.733 1.00 0.00 N ATOM 403 CA ASP A 28 10.992 -15.781 -7.317 1.00 0.00 C ATOM 404 C ASP A 28 12.058 -15.598 -6.241 1.00 0.00 C ATOM 405 O ASP A 28 13.212 -15.982 -6.424 1.00 0.00 O ATOM 406 CB ASP A 28 10.790 -14.467 -8.076 1.00 0.00 C ATOM 407 CG ASP A 28 11.645 -14.382 -9.325 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.649 -15.355 -10.108 1.00 0.00 O ATOM 409 OD2 ASP A 28 12.310 -13.343 -9.520 1.00 0.00 O ATOM 0 H ASP A 28 9.756 -16.346 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 28 11.331 -16.548 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.740 -14.367 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.028 -13.631 -7.419 1.00 0.00 H new ATOM 414 N LEU A 29 11.662 -15.007 -5.118 1.00 0.00 N ATOM 415 CA LEU A 29 12.583 -14.771 -4.013 1.00 0.00 C ATOM 416 C LEU A 29 12.424 -15.834 -2.931 1.00 0.00 C ATOM 417 O LEU A 29 11.311 -16.120 -2.487 1.00 0.00 O ATOM 418 CB LEU A 29 12.348 -13.382 -3.415 1.00 0.00 C ATOM 419 CG LEU A 29 12.862 -12.216 -4.261 1.00 0.00 C ATOM 420 CD1 LEU A 29 14.382 -12.210 -4.294 1.00 0.00 C ATOM 421 CD2 LEU A 29 12.295 -12.291 -5.672 1.00 0.00 C ATOM 0 H LEU A 29 10.710 -14.683 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 29 13.599 -14.827 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.278 -13.249 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.826 -13.339 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 29 12.526 -11.285 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.729 -11.374 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.768 -12.108 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.740 -13.145 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.671 -11.454 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.601 -13.228 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.207 -12.245 -5.630 1.00 0.00 H new ATOM 433 N GLN A 30 13.541 -16.416 -2.512 1.00 0.00 N ATOM 434 CA GLN A 30 13.526 -17.447 -1.480 1.00 0.00 C ATOM 435 C GLN A 30 13.354 -16.825 -0.098 1.00 0.00 C ATOM 436 O GLN A 30 13.547 -15.623 0.080 1.00 0.00 O ATOM 437 CB GLN A 30 14.817 -18.267 -1.527 1.00 0.00 C ATOM 438 CG GLN A 30 14.755 -19.446 -2.485 1.00 0.00 C ATOM 439 CD GLN A 30 16.127 -19.902 -2.938 1.00 0.00 C ATOM 440 OE1 GLN A 30 17.114 -19.181 -2.791 1.00 0.00 O ATOM 441 NE2 GLN A 30 16.197 -21.105 -3.495 1.00 0.00 N ATOM 0 H GLN A 30 14.469 -16.192 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 30 12.680 -18.107 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.641 -17.616 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.041 -18.635 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.242 -20.277 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.162 -19.170 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.354 -21.670 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.094 -21.465 -3.821 1.00 0.00 H new ATOM 450 N VAL A 31 12.991 -17.652 0.879 1.00 0.00 N ATOM 451 CA VAL A 31 12.793 -17.181 2.246 1.00 0.00 C ATOM 452 C VAL A 31 14.024 -16.441 2.762 1.00 0.00 C ATOM 453 O VAL A 31 13.915 -15.534 3.586 1.00 0.00 O ATOM 454 CB VAL A 31 12.471 -18.347 3.200 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.120 -17.824 4.586 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.341 -19.200 2.642 1.00 0.00 C ATOM 0 H VAL A 31 12.828 -18.651 0.749 1.00 0.00 H new ATOM 0 HA VAL A 31 11.947 -16.495 2.222 1.00 0.00 H new ATOM 0 HB VAL A 31 13.358 -18.974 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.896 -18.663 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.964 -17.262 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.249 -17.172 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.129 -20.018 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.448 -18.587 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.636 -19.607 1.675 1.00 0.00 H new ATOM 466 N ASN A 32 15.194 -16.833 2.268 1.00 0.00 N ATOM 467 CA ASN A 32 16.446 -16.206 2.679 1.00 0.00 C ATOM 468 C ASN A 32 16.632 -14.860 1.986 1.00 0.00 C ATOM 469 O ASN A 32 17.266 -13.955 2.529 1.00 0.00 O ATOM 470 CB ASN A 32 17.628 -17.124 2.362 1.00 0.00 C ATOM 471 CG ASN A 32 17.645 -17.566 0.913 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.176 -18.654 0.578 1.00 0.00 O ATOM 473 ND2 ASN A 32 18.188 -16.722 0.043 1.00 0.00 N ATOM 0 H ASN A 32 15.302 -17.581 1.583 1.00 0.00 H new ATOM 0 HA ASN A 32 16.404 -16.038 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.559 -16.605 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.585 -18.002 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.228 -16.965 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.565 -15.830 0.365 1.00 0.00 H new ATOM 480 N GLN A 33 16.077 -14.735 0.785 1.00 0.00 N ATOM 481 CA GLN A 33 16.181 -13.500 0.017 1.00 0.00 C ATOM 482 C GLN A 33 15.281 -12.411 0.599 1.00 0.00 C ATOM 483 O GLN A 33 15.479 -11.226 0.335 1.00 0.00 O ATOM 484 CB GLN A 33 15.815 -13.754 -1.446 1.00 0.00 C ATOM 485 CG GLN A 33 16.770 -14.699 -2.156 1.00 0.00 C ATOM 486 CD GLN A 33 16.878 -14.411 -3.641 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.378 -13.363 -4.047 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.408 -15.344 -4.461 1.00 0.00 N ATOM 0 H GLN A 33 15.550 -15.475 0.322 1.00 0.00 H new ATOM 0 HA GLN A 33 17.214 -13.155 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.807 -14.166 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.796 -12.803 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.758 -14.621 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.433 -15.726 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.001 -16.199 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.454 -15.206 -5.471 1.00 0.00 H new ATOM 497 N PHE A 34 14.292 -12.821 1.390 1.00 0.00 N ATOM 498 CA PHE A 34 13.362 -11.879 2.007 1.00 0.00 C ATOM 499 C PHE A 34 14.108 -10.769 2.743 1.00 0.00 C ATOM 500 O PHE A 34 13.618 -9.645 2.854 1.00 0.00 O ATOM 501 CB PHE A 34 12.435 -12.613 2.979 1.00 0.00 C ATOM 502 CG PHE A 34 11.230 -13.225 2.321 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.333 -13.831 1.079 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.994 -13.195 2.947 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.226 -14.396 0.474 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.884 -13.758 2.347 1.00 0.00 C ATOM 507 CZ PHE A 34 9.000 -14.359 1.109 1.00 0.00 C ATOM 0 H PHE A 34 14.114 -13.799 1.619 1.00 0.00 H new ATOM 0 HA PHE A 34 12.768 -11.425 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.000 -13.397 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.103 -11.915 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.289 -13.862 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.897 -12.726 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.320 -14.866 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.927 -13.728 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.133 -14.799 0.638 1.00 0.00 H new ATOM 517 N LYS A 35 15.296 -11.092 3.246 1.00 0.00 N ATOM 518 CA LYS A 35 16.109 -10.123 3.972 1.00 0.00 C ATOM 519 C LYS A 35 16.480 -8.943 3.079 1.00 0.00 C ATOM 520 O LYS A 35 16.277 -7.786 3.448 1.00 0.00 O ATOM 521 CB LYS A 35 17.376 -10.790 4.508 1.00 0.00 C ATOM 522 CG LYS A 35 17.101 -11.952 5.449 1.00 0.00 C ATOM 523 CD LYS A 35 18.283 -12.221 6.367 1.00 0.00 C ATOM 524 CE LYS A 35 18.825 -13.630 6.185 1.00 0.00 C ATOM 525 NZ LYS A 35 20.277 -13.712 6.498 1.00 0.00 N ATOM 0 H LYS A 35 15.717 -12.018 3.164 1.00 0.00 H new ATOM 0 HA LYS A 35 15.521 -9.749 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.972 -11.147 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.976 -10.045 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.217 -11.734 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.880 -12.847 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.073 -11.498 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.979 -12.079 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.276 -14.316 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.656 -13.954 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.607 -14.689 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.805 -13.077 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.436 -13.428 7.486 1.00 0.00 H new ATOM 539 N ASN A 36 17.024 -9.243 1.905 1.00 0.00 N ATOM 540 CA ASN A 36 17.424 -8.205 0.961 1.00 0.00 C ATOM 541 C ASN A 36 16.207 -7.481 0.395 1.00 0.00 C ATOM 542 O ASN A 36 16.278 -6.301 0.052 1.00 0.00 O ATOM 543 CB ASN A 36 18.247 -8.811 -0.178 1.00 0.00 C ATOM 544 CG ASN A 36 17.472 -9.848 -0.964 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.498 -9.530 -1.644 1.00 0.00 O ATOM 546 ND2 ASN A 36 17.903 -11.101 -0.874 1.00 0.00 N ATOM 0 H ASN A 36 17.198 -10.195 1.584 1.00 0.00 H new ATOM 0 HA ASN A 36 18.036 -7.480 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.571 -8.017 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.148 -9.268 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.421 -11.844 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.716 -11.321 -0.298 1.00 0.00 H new ATOM 553 N VAL A 37 15.089 -8.195 0.300 1.00 0.00 N ATOM 554 CA VAL A 37 13.857 -7.620 -0.223 1.00 0.00 C ATOM 555 C VAL A 37 13.348 -6.500 0.679 1.00 0.00 C ATOM 556 O VAL A 37 13.498 -6.556 1.899 1.00 0.00 O ATOM 557 CB VAL A 37 12.755 -8.687 -0.370 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.529 -8.102 -1.055 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.276 -9.893 -1.136 1.00 0.00 C ATOM 0 H VAL A 37 15.012 -9.173 0.579 1.00 0.00 H new ATOM 0 HA VAL A 37 14.091 -7.214 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 37 12.463 -9.017 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.763 -8.872 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.141 -7.274 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.804 -7.740 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.483 -10.635 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.600 -9.581 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.119 -10.328 -0.600 1.00 0.00 H new ATOM 569 N ILE A 38 12.746 -5.483 0.070 1.00 0.00 N ATOM 570 CA ILE A 38 12.216 -4.351 0.820 1.00 0.00 C ATOM 571 C ILE A 38 11.038 -3.711 0.091 1.00 0.00 C ATOM 572 O ILE A 38 11.076 -3.519 -1.124 1.00 0.00 O ATOM 573 CB ILE A 38 13.302 -3.283 1.067 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.756 -2.162 1.954 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.811 -2.723 -0.255 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.809 -1.163 2.382 1.00 0.00 C ATOM 0 H ILE A 38 12.613 -5.420 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 38 11.875 -4.738 1.780 1.00 0.00 H new ATOM 0 HB ILE A 38 14.139 -3.753 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.966 -1.637 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.301 -2.601 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.576 -1.971 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.237 -3.529 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.984 -2.267 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.351 -0.397 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.588 -1.675 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.247 -0.696 1.500 1.00 0.00 H new ATOM 588 N PHE A 39 9.991 -3.383 0.843 1.00 0.00 N ATOM 589 CA PHE A 39 8.802 -2.764 0.271 1.00 0.00 C ATOM 590 C PHE A 39 8.596 -1.361 0.834 1.00 0.00 C ATOM 591 O PHE A 39 8.642 -1.157 2.047 1.00 0.00 O ATOM 592 CB PHE A 39 7.568 -3.623 0.551 1.00 0.00 C ATOM 593 CG PHE A 39 7.671 -5.019 0.007 1.00 0.00 C ATOM 594 CD1 PHE A 39 7.532 -5.261 -1.350 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.908 -6.091 0.854 1.00 0.00 C ATOM 596 CE1 PHE A 39 7.627 -6.545 -1.853 1.00 0.00 C ATOM 597 CE2 PHE A 39 8.003 -7.377 0.357 1.00 0.00 C ATOM 598 CZ PHE A 39 7.862 -7.604 -0.998 1.00 0.00 C ATOM 0 H PHE A 39 9.943 -3.536 1.850 1.00 0.00 H new ATOM 0 HA PHE A 39 8.946 -2.688 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.407 -3.673 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.692 -3.138 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.347 -4.437 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.020 -5.919 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.518 -6.720 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.187 -8.203 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.935 -8.608 -1.389 1.00 0.00 H new ATOM 608 N GLU A 40 8.371 -0.399 -0.054 1.00 0.00 N ATOM 609 CA GLU A 40 8.160 0.985 0.357 1.00 0.00 C ATOM 610 C GLU A 40 6.736 1.435 0.046 1.00 0.00 C ATOM 611 O GLU A 40 6.362 1.588 -1.118 1.00 0.00 O ATOM 612 CB GLU A 40 9.162 1.905 -0.343 1.00 0.00 C ATOM 613 CG GLU A 40 9.156 3.328 0.191 1.00 0.00 C ATOM 614 CD GLU A 40 8.101 4.193 -0.469 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.155 4.356 -1.706 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.220 4.708 0.252 1.00 0.00 O ATOM 0 H GLU A 40 8.330 -0.551 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 40 8.313 1.045 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.163 1.489 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.940 1.925 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.983 3.308 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.138 3.775 0.034 1.00 0.00 H new ATOM 623 N ILE A 41 5.946 1.646 1.093 1.00 0.00 N ATOM 624 CA ILE A 41 4.565 2.078 0.934 1.00 0.00 C ATOM 625 C ILE A 41 4.425 3.574 1.192 1.00 0.00 C ATOM 626 O ILE A 41 4.607 4.039 2.317 1.00 0.00 O ATOM 627 CB ILE A 41 3.621 1.314 1.884 1.00 0.00 C ATOM 628 CG1 ILE A 41 3.847 -0.195 1.762 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.171 1.663 1.586 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.565 -0.953 3.041 1.00 0.00 C ATOM 0 H ILE A 41 6.240 1.524 2.062 1.00 0.00 H new ATOM 0 HA ILE A 41 4.283 1.860 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 41 3.843 1.614 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.210 -0.587 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.879 -0.377 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.518 1.115 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.019 2.734 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.935 1.390 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.746 -2.016 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.220 -0.588 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.526 -0.802 3.332 1.00 0.00 H new ATOM 642 N SER A 42 4.103 4.324 0.143 1.00 0.00 N ATOM 643 CA SER A 42 3.941 5.769 0.258 1.00 0.00 C ATOM 644 C SER A 42 2.496 6.131 0.601 1.00 0.00 C ATOM 645 O SER A 42 1.593 5.940 -0.213 1.00 0.00 O ATOM 646 CB SER A 42 4.351 6.453 -1.045 1.00 0.00 C ATOM 647 OG SER A 42 5.556 5.908 -1.552 1.00 0.00 O ATOM 0 H SER A 42 3.949 3.955 -0.796 1.00 0.00 H new ATOM 0 HA SER A 42 4.586 6.118 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.558 6.339 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.476 7.522 -0.874 1.00 0.00 H new ATOM 0 HG SER A 42 6.118 5.609 -0.807 1.00 0.00 H new ATOM 653 N PRO A 43 2.256 6.657 1.816 1.00 0.00 N ATOM 654 CA PRO A 43 0.909 7.042 2.255 1.00 0.00 C ATOM 655 C PRO A 43 0.299 8.122 1.368 1.00 0.00 C ATOM 656 O PRO A 43 0.851 8.467 0.324 1.00 0.00 O ATOM 657 CB PRO A 43 1.125 7.579 3.676 1.00 0.00 C ATOM 658 CG PRO A 43 2.442 7.028 4.103 1.00 0.00 C ATOM 659 CD PRO A 43 3.265 6.920 2.854 1.00 0.00 C ATOM 0 HA PRO A 43 0.215 6.203 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.131 8.669 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.327 7.256 4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.921 7.682 4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.323 6.054 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.819 7.837 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.996 6.114 2.920 1.00 0.00 H new ATOM 667 N THR A 44 -0.844 8.653 1.793 1.00 0.00 N ATOM 668 CA THR A 44 -1.530 9.696 1.039 1.00 0.00 C ATOM 669 C THR A 44 -2.092 10.761 1.974 1.00 0.00 C ATOM 670 O THR A 44 -2.273 10.521 3.168 1.00 0.00 O ATOM 671 CB THR A 44 -2.657 9.091 0.200 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.540 8.340 1.014 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.160 8.178 -0.901 1.00 0.00 C ATOM 0 H THR A 44 -1.314 8.378 2.655 1.00 0.00 H new ATOM 0 HA THR A 44 -0.805 10.166 0.375 1.00 0.00 H new ATOM 0 HB THR A 44 -3.165 9.940 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.315 7.388 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.010 7.783 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.514 8.740 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.598 7.353 -0.463 1.00 0.00 H new ATOM 681 N GLU A 45 -2.367 11.939 1.424 1.00 0.00 N ATOM 682 CA GLU A 45 -2.909 13.042 2.209 1.00 0.00 C ATOM 683 C GLU A 45 -4.246 12.657 2.836 1.00 0.00 C ATOM 684 O GLU A 45 -4.512 12.971 3.996 1.00 0.00 O ATOM 685 CB GLU A 45 -3.081 14.284 1.332 1.00 0.00 C ATOM 686 CG GLU A 45 -1.977 15.313 1.511 1.00 0.00 C ATOM 687 CD GLU A 45 -2.408 16.708 1.105 1.00 0.00 C ATOM 688 OE1 GLU A 45 -2.995 17.418 1.949 1.00 0.00 O ATOM 689 OE2 GLU A 45 -2.159 17.091 -0.057 1.00 0.00 O ATOM 0 H GLU A 45 -2.223 12.154 0.437 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.204 13.267 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.115 13.978 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.040 14.749 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.661 15.324 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.111 15.018 0.919 1.00 0.00 H new ATOM 696 N GLU A 46 -5.082 11.974 2.061 1.00 0.00 N ATOM 697 CA GLU A 46 -6.391 11.545 2.540 1.00 0.00 C ATOM 698 C GLU A 46 -6.307 10.170 3.196 1.00 0.00 C ATOM 699 O GLU A 46 -5.239 9.561 3.247 1.00 0.00 O ATOM 700 CB GLU A 46 -7.395 11.517 1.384 1.00 0.00 C ATOM 701 CG GLU A 46 -8.531 12.514 1.541 1.00 0.00 C ATOM 702 CD GLU A 46 -9.730 11.925 2.255 1.00 0.00 C ATOM 703 OE1 GLU A 46 -9.648 11.718 3.484 1.00 0.00 O ATOM 704 OE2 GLU A 46 -10.754 11.670 1.586 1.00 0.00 O ATOM 0 H GLU A 46 -4.876 11.706 1.099 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.731 12.261 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.869 11.722 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.812 10.514 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.173 13.382 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.837 12.868 0.557 1.00 0.00 H new ATOM 711 N VAL A 47 -7.440 9.688 3.694 1.00 0.00 N ATOM 712 CA VAL A 47 -7.495 8.385 4.346 1.00 0.00 C ATOM 713 C VAL A 47 -8.350 7.406 3.545 1.00 0.00 C ATOM 714 O VAL A 47 -9.561 7.584 3.419 1.00 0.00 O ATOM 715 CB VAL A 47 -8.057 8.497 5.778 1.00 0.00 C ATOM 716 CG1 VAL A 47 -9.487 9.019 5.757 1.00 0.00 C ATOM 717 CG2 VAL A 47 -7.982 7.153 6.491 1.00 0.00 C ATOM 0 H VAL A 47 -8.333 10.180 3.659 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.473 8.010 4.396 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.445 9.210 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.863 9.090 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.508 10.005 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.115 8.336 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.383 7.253 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.566 6.416 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.943 6.827 6.545 1.00 0.00 H new ATOM 727 N GLY A 48 -7.709 6.373 3.007 1.00 0.00 N ATOM 728 CA GLY A 48 -8.426 5.382 2.226 1.00 0.00 C ATOM 729 C GLY A 48 -7.603 4.853 1.068 1.00 0.00 C ATOM 730 O GLY A 48 -7.728 3.687 0.691 1.00 0.00 O ATOM 0 H GLY A 48 -6.707 6.205 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.714 4.553 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.347 5.822 1.843 1.00 0.00 H new ATOM 734 N ASP A 49 -6.761 5.710 0.502 1.00 0.00 N ATOM 735 CA ASP A 49 -5.914 5.323 -0.620 1.00 0.00 C ATOM 736 C ASP A 49 -4.465 5.155 -0.176 1.00 0.00 C ATOM 737 O ASP A 49 -3.968 5.917 0.654 1.00 0.00 O ATOM 738 CB ASP A 49 -6.000 6.366 -1.735 1.00 0.00 C ATOM 739 CG ASP A 49 -5.449 5.854 -3.051 1.00 0.00 C ATOM 740 OD1 ASP A 49 -5.832 4.738 -3.459 1.00 0.00 O ATOM 741 OD2 ASP A 49 -4.634 6.568 -3.672 1.00 0.00 O ATOM 0 H ASP A 49 -6.647 6.678 0.802 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.272 4.366 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.040 6.663 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.450 7.258 -1.437 1.00 0.00 H new ATOM 746 N PHE A 50 -3.792 4.153 -0.733 1.00 0.00 N ATOM 747 CA PHE A 50 -2.398 3.887 -0.393 1.00 0.00 C ATOM 748 C PHE A 50 -1.554 3.724 -1.653 1.00 0.00 C ATOM 749 O PHE A 50 -2.084 3.631 -2.760 1.00 0.00 O ATOM 750 CB PHE A 50 -2.292 2.631 0.473 1.00 0.00 C ATOM 751 CG PHE A 50 -3.298 2.582 1.588 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.371 3.607 2.519 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.170 1.512 1.705 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.295 3.563 3.545 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.097 1.464 2.729 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.159 2.491 3.650 1.00 0.00 C ATOM 0 H PHE A 50 -4.188 3.513 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.018 4.739 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.420 1.752 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.289 2.576 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.698 4.448 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.125 0.706 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.342 4.367 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.772 0.625 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.882 2.456 4.451 1.00 0.00 H new ATOM 766 N GLU A 51 -0.237 3.689 -1.476 1.00 0.00 N ATOM 767 CA GLU A 51 0.681 3.538 -2.599 1.00 0.00 C ATOM 768 C GLU A 51 1.732 2.472 -2.302 1.00 0.00 C ATOM 769 O GLU A 51 2.711 2.730 -1.601 1.00 0.00 O ATOM 770 CB GLU A 51 1.361 4.873 -2.912 1.00 0.00 C ATOM 771 CG GLU A 51 1.367 5.220 -4.392 1.00 0.00 C ATOM 772 CD GLU A 51 0.722 6.562 -4.680 1.00 0.00 C ATOM 773 OE1 GLU A 51 -0.518 6.661 -4.566 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.456 7.513 -5.019 1.00 0.00 O ATOM 0 H GLU A 51 0.218 3.763 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 51 0.105 3.221 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.854 5.667 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.389 4.841 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.395 5.230 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.841 4.442 -4.946 1.00 0.00 H new ATOM 781 N VAL A 52 1.523 1.275 -2.840 1.00 0.00 N ATOM 782 CA VAL A 52 2.451 0.171 -2.632 1.00 0.00 C ATOM 783 C VAL A 52 3.439 0.058 -3.789 1.00 0.00 C ATOM 784 O VAL A 52 3.065 0.204 -4.952 1.00 0.00 O ATOM 785 CB VAL A 52 1.706 -1.167 -2.476 1.00 0.00 C ATOM 786 CG1 VAL A 52 2.667 -2.270 -2.060 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.572 -1.033 -1.471 1.00 0.00 C ATOM 0 H VAL A 52 0.719 1.045 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 52 2.995 0.384 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 52 1.277 -1.436 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.121 -3.208 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.441 -2.384 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.129 -2.010 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.057 -1.989 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.977 -0.739 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.132 -0.275 -1.815 1.00 0.00 H new ATOM 797 N LYS A 53 4.700 -0.202 -3.461 1.00 0.00 N ATOM 798 CA LYS A 53 5.742 -0.333 -4.474 1.00 0.00 C ATOM 799 C LYS A 53 6.919 -1.146 -3.942 1.00 0.00 C ATOM 800 O LYS A 53 7.298 -1.019 -2.777 1.00 0.00 O ATOM 801 CB LYS A 53 6.222 1.046 -4.925 1.00 0.00 C ATOM 802 CG LYS A 53 7.236 0.997 -6.057 1.00 0.00 C ATOM 803 CD LYS A 53 7.036 2.145 -7.034 1.00 0.00 C ATOM 804 CE LYS A 53 8.334 2.512 -7.735 1.00 0.00 C ATOM 805 NZ LYS A 53 8.987 3.697 -7.113 1.00 0.00 N ATOM 0 H LYS A 53 5.026 -0.326 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 53 5.317 -0.859 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.362 1.635 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.665 1.564 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.245 1.039 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.147 0.048 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.287 1.867 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.650 3.014 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.017 1.663 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.133 2.719 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.868 3.914 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.346 4.514 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.203 3.491 -6.117 1.00 0.00 H new ATOM 819 N ALA A 54 7.492 -1.981 -4.801 1.00 0.00 N ATOM 820 CA ALA A 54 8.626 -2.813 -4.418 1.00 0.00 C ATOM 821 C ALA A 54 9.942 -2.186 -4.865 1.00 0.00 C ATOM 822 O ALA A 54 10.194 -2.032 -6.060 1.00 0.00 O ATOM 823 CB ALA A 54 8.478 -4.209 -5.005 1.00 0.00 C ATOM 0 H ALA A 54 7.190 -2.100 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 54 8.640 -2.888 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.332 -4.820 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.560 -4.665 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.436 -4.144 -6.092 1.00 0.00 H new ATOM 974 N PHE A 64 1.944 1.623 -7.723 1.00 0.00 N ATOM 975 CA PHE A 64 0.809 0.707 -7.720 1.00 0.00 C ATOM 976 C PHE A 64 -0.298 1.216 -6.801 1.00 0.00 C ATOM 977 O PHE A 64 -0.154 1.211 -5.579 1.00 0.00 O ATOM 978 CB PHE A 64 1.254 -0.688 -7.277 1.00 0.00 C ATOM 979 CG PHE A 64 0.244 -1.761 -7.569 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.019 -2.146 -8.875 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.440 -2.385 -6.539 1.00 0.00 C ATOM 982 CE1 PHE A 64 -0.947 -3.134 -9.146 1.00 0.00 C ATOM 983 CE2 PHE A 64 -1.370 -3.373 -6.805 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.623 -3.748 -8.110 1.00 0.00 C ATOM 0 HA PHE A 64 0.417 0.650 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.191 -0.937 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.457 -0.673 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.507 -1.669 -9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.245 -2.097 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.143 -3.426 -10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.898 -3.851 -5.993 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.348 -4.520 -8.320 1.00 0.00 H new ATOM 994 N MET A 65 -1.402 1.652 -7.399 1.00 0.00 N ATOM 995 CA MET A 65 -2.533 2.164 -6.633 1.00 0.00 C ATOM 996 C MET A 65 -3.283 1.028 -5.947 1.00 0.00 C ATOM 997 O MET A 65 -3.622 0.024 -6.577 1.00 0.00 O ATOM 998 CB MET A 65 -3.484 2.941 -7.546 1.00 0.00 C ATOM 999 CG MET A 65 -4.202 4.083 -6.845 1.00 0.00 C ATOM 1000 SD MET A 65 -4.941 5.252 -8.001 1.00 0.00 S ATOM 1001 CE MET A 65 -6.152 6.049 -6.949 1.00 0.00 C ATOM 0 H MET A 65 -1.538 1.661 -8.410 1.00 0.00 H new ATOM 0 HA MET A 65 -2.147 2.836 -5.866 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.920 3.340 -8.389 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.225 2.254 -7.955 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.980 3.676 -6.199 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.497 4.610 -6.202 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.693 6.801 -7.523 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.854 5.304 -6.574 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.647 6.527 -6.110 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.540 1.191 -4.653 1.00 0.00 N ATOM 1012 CA LEU A 66 -4.251 0.178 -3.881 1.00 0.00 C ATOM 1013 C LEU A 66 -5.527 0.752 -3.275 1.00 0.00 C ATOM 1014 O LEU A 66 -5.556 1.902 -2.838 1.00 0.00 O ATOM 1015 CB LEU A 66 -3.350 -0.373 -2.774 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.736 -1.759 -2.255 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.505 -2.814 -3.326 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.949 -2.094 -0.996 1.00 0.00 C ATOM 0 H LEU A 66 -3.267 2.015 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.524 -0.633 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.326 -0.413 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.358 0.326 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.797 -1.750 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.785 -3.793 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.112 -2.583 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.452 -2.823 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.236 -3.083 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.882 -2.084 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.164 -1.354 -0.225 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.581 -0.057 -3.252 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.862 0.371 -2.700 1.00 0.00 C ATOM 1032 C HIS A 67 -8.301 -0.552 -1.566 1.00 0.00 C ATOM 1033 O HIS A 67 -8.053 -1.757 -1.602 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.930 0.402 -3.796 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.691 1.690 -3.854 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -10.891 1.827 -4.519 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -9.415 2.906 -3.323 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -11.321 3.071 -4.396 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.445 3.745 -3.676 1.00 0.00 N ATOM 0 H HIS A 67 -6.574 -1.012 -3.609 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.739 1.376 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.454 0.227 -4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.630 -0.417 -3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.549 3.167 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -12.234 3.468 -4.814 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -10.520 4.730 -3.422 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.955 0.023 -0.563 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.430 -0.747 0.581 1.00 0.00 C ATOM 1050 C TYR A 68 -10.572 -1.675 0.177 1.00 0.00 C ATOM 1051 O TYR A 68 -10.738 -2.755 0.744 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.891 0.191 1.697 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.698 -0.377 3.086 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.466 -0.880 3.487 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -10.748 -0.411 3.995 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.286 -1.400 4.755 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -10.576 -0.929 5.265 1.00 0.00 C ATOM 1058 CZ TYR A 68 -9.344 -1.422 5.639 1.00 0.00 C ATOM 1059 OH TYR A 68 -9.168 -1.938 6.903 1.00 0.00 O ATOM 0 H TYR A 68 -9.168 1.019 -0.519 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.603 -1.356 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.344 1.131 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.946 0.423 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.636 -0.864 2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.715 -0.026 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.322 -1.787 5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.402 -0.947 5.960 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.885 -1.224 7.511 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.356 -1.245 -0.806 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.482 -2.038 -1.286 1.00 0.00 C ATOM 1071 C GLN A 69 -12.001 -3.315 -1.967 1.00 0.00 C ATOM 1072 O GLN A 69 -12.677 -4.342 -1.930 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.332 -1.217 -2.259 1.00 0.00 C ATOM 1074 CG GLN A 69 -13.842 0.088 -1.669 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.356 0.180 -1.675 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -15.994 0.043 -2.718 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.939 0.415 -0.505 1.00 0.00 N ATOM 0 H GLN A 69 -11.233 -0.353 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.090 -2.315 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.741 -0.998 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.183 -1.817 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.480 0.185 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.429 0.924 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.371 0.522 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.955 0.488 -0.447 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.828 -3.242 -2.587 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.256 -4.393 -3.277 1.00 0.00 C ATOM 1088 C ASP A 70 -9.787 -5.447 -2.280 1.00 0.00 C ATOM 1089 O ASP A 70 -9.833 -6.646 -2.560 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.087 -3.955 -4.161 1.00 0.00 C ATOM 1091 CG ASP A 70 -8.950 -4.809 -5.405 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -9.424 -5.965 -5.387 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.369 -4.324 -6.399 1.00 0.00 O ATOM 0 H ASP A 70 -10.255 -2.399 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.032 -4.832 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.226 -2.914 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.162 -4.005 -3.586 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.333 -4.994 -1.116 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.855 -5.898 -0.077 1.00 0.00 C ATOM 1100 C LEU A 71 -10.014 -6.654 0.565 1.00 0.00 C ATOM 1101 O LEU A 71 -9.957 -7.871 0.734 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.085 -5.120 0.992 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.988 -4.197 0.457 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.467 -3.292 1.561 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.854 -5.014 -0.146 1.00 0.00 C ATOM 0 H LEU A 71 -9.286 -4.006 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.186 -6.622 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.793 -4.523 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.634 -5.832 1.684 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.415 -3.570 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.688 -2.643 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.284 -2.683 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.055 -3.900 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.082 -4.343 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.428 -5.665 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.239 -5.620 -0.966 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.064 -5.922 0.922 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.237 -6.522 1.548 1.00 0.00 C ATOM 1119 C LEU A 72 -12.966 -7.442 0.572 1.00 0.00 C ATOM 1120 O LEU A 72 -13.591 -8.421 0.978 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.188 -5.432 2.046 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.578 -4.451 3.050 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.546 -3.315 3.341 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.198 -5.173 4.334 1.00 0.00 C ATOM 0 H LEU A 72 -11.127 -4.913 0.789 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.900 -7.117 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.553 -4.869 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.054 -5.908 2.506 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.674 -4.027 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.095 -2.627 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.770 -2.782 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.468 -3.720 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.766 -4.461 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.087 -5.624 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.469 -5.952 4.111 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.882 -7.121 -0.714 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.534 -7.919 -1.746 1.00 0.00 C ATOM 1138 C GLN A 73 -13.029 -9.359 -1.722 1.00 0.00 C ATOM 1139 O GLN A 73 -13.763 -10.290 -2.052 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.294 -7.303 -3.126 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.543 -7.235 -3.988 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.644 -8.393 -4.962 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.637 -8.866 -5.487 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.865 -8.854 -5.208 1.00 0.00 N ATOM 0 H GLN A 73 -12.369 -6.313 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.605 -7.926 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.894 -6.297 -3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.534 -7.885 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.423 -7.228 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.546 -6.297 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.672 -8.431 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.996 -9.631 -5.855 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.772 -9.533 -1.329 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.168 -10.860 -1.261 1.00 0.00 C ATOM 1155 C LEU A 74 -11.646 -11.613 -0.024 1.00 0.00 C ATOM 1156 O LEU A 74 -11.878 -12.821 -0.071 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.643 -10.749 -1.248 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.030 -10.104 -2.492 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.835 -9.242 -2.115 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -8.623 -11.169 -3.499 1.00 0.00 C ATOM 0 H LEU A 74 -11.151 -8.772 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.477 -11.418 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.343 -10.172 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.222 -11.748 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.783 -9.464 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.413 -8.792 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.155 -8.456 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.080 -9.860 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.189 -10.692 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.888 -11.835 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.500 -11.744 -3.795 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.789 -10.892 1.083 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.238 -11.493 2.334 1.00 0.00 C ATOM 1174 C GLN A 75 -13.717 -11.860 2.263 1.00 0.00 C ATOM 1175 O GLN A 75 -14.158 -12.820 2.894 1.00 0.00 O ATOM 1176 CB GLN A 75 -11.992 -10.535 3.502 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.532 -11.232 4.772 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.987 -10.514 6.027 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -13.159 -10.573 6.400 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -11.059 -9.831 6.688 1.00 0.00 N ATOM 0 H GLN A 75 -11.601 -9.891 1.140 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.665 -12.406 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.242 -9.801 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.910 -9.986 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.916 -12.252 4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.444 -11.301 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.099 -9.809 6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.306 -9.329 7.541 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.477 -11.089 1.492 1.00 0.00 N ATOM 1190 CA TYR A 76 -15.906 -11.336 1.340 1.00 0.00 C ATOM 1191 C TYR A 76 -16.158 -12.484 0.368 1.00 0.00 C ATOM 1192 O TYR A 76 -17.044 -13.312 0.586 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.616 -10.072 0.851 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.123 -10.141 0.965 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.731 -10.494 2.163 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.935 -9.854 -0.124 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.107 -10.559 2.272 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.312 -9.915 -0.023 1.00 0.00 C ATOM 1199 CZ TYR A 76 -20.893 -10.269 1.177 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.263 -10.332 1.282 1.00 0.00 O ATOM 0 H TYR A 76 -14.128 -10.289 0.964 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.307 -11.614 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.255 -9.218 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.347 -9.894 -0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.119 -10.721 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.483 -9.579 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.565 -10.836 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.930 -9.687 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.668 -10.098 0.421 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.375 -12.528 -0.704 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.513 -13.575 -1.709 1.00 0.00 C ATOM 1212 C GLU A 77 -14.980 -14.905 -1.186 1.00 0.00 C ATOM 1213 O GLU A 77 -15.699 -15.903 -1.151 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.772 -13.184 -2.989 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.535 -12.195 -3.855 1.00 0.00 C ATOM 1216 CD GLU A 77 -16.594 -12.865 -4.709 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -16.394 -14.038 -5.090 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -17.621 -12.217 -4.997 1.00 0.00 O ATOM 0 H GLU A 77 -14.638 -11.851 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.574 -13.691 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.807 -12.752 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.570 -14.083 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.007 -11.448 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.834 -11.666 -4.501 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.714 -14.910 -0.779 1.00 0.00 N ATOM 1226 CA GLY A 78 -13.106 -16.122 -0.264 1.00 0.00 C ATOM 1227 C GLY A 78 -11.673 -16.295 -0.727 1.00 0.00 C ATOM 1228 O GLY A 78 -11.305 -17.347 -1.250 1.00 0.00 O ATOM 0 H GLY A 78 -13.099 -14.096 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.133 -16.103 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.694 -16.983 -0.582 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.862 -15.259 -0.537 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.461 -15.301 -0.941 1.00 0.00 C ATOM 1234 C VAL A 79 -8.568 -14.656 0.114 1.00 0.00 C ATOM 1235 O VAL A 79 -8.616 -13.445 0.326 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.242 -14.587 -2.289 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.844 -14.869 -2.823 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.302 -15.008 -3.295 1.00 0.00 C ATOM 0 H VAL A 79 -11.151 -14.381 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.193 -16.352 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.334 -13.513 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.708 -14.357 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.103 -14.511 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.719 -15.942 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.131 -14.494 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.247 -16.085 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.289 -14.748 -2.914 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.754 -15.475 0.774 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.850 -14.985 1.808 1.00 0.00 C ATOM 1250 C ALA A 80 -5.456 -14.715 1.250 1.00 0.00 C ATOM 1251 O ALA A 80 -4.488 -14.605 2.003 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.773 -15.984 2.952 1.00 0.00 C ATOM 0 H ALA A 80 -7.702 -16.481 0.611 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.248 -14.041 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.095 -15.608 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.765 -16.123 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.403 -16.938 2.577 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.357 -14.608 -0.071 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.078 -14.351 -0.722 1.00 0.00 C ATOM 1260 C VAL A 81 -4.232 -13.345 -1.858 1.00 0.00 C ATOM 1261 O VAL A 81 -5.201 -13.394 -2.616 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.461 -15.647 -1.281 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -2.043 -15.397 -1.771 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.481 -16.745 -0.228 1.00 0.00 C ATOM 0 H VAL A 81 -6.146 -14.695 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.414 -13.939 0.038 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.061 -15.976 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.624 -16.324 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.058 -14.645 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.429 -15.043 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.041 -17.653 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.906 -16.426 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.510 -16.944 0.071 1.00 0.00 H new ATOM 1274 N MET A 82 -3.271 -12.434 -1.971 1.00 0.00 N ATOM 1275 CA MET A 82 -3.301 -11.417 -3.015 1.00 0.00 C ATOM 1276 C MET A 82 -2.062 -11.509 -3.899 1.00 0.00 C ATOM 1277 O MET A 82 -0.940 -11.304 -3.437 1.00 0.00 O ATOM 1278 CB MET A 82 -3.395 -10.022 -2.394 1.00 0.00 C ATOM 1279 CG MET A 82 -3.704 -8.927 -3.401 1.00 0.00 C ATOM 1280 SD MET A 82 -4.638 -7.563 -2.681 1.00 0.00 S ATOM 1281 CE MET A 82 -3.310 -6.492 -2.137 1.00 0.00 C ATOM 0 H MET A 82 -2.462 -12.379 -1.352 1.00 0.00 H new ATOM 0 HA MET A 82 -4.181 -11.592 -3.634 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.169 -10.027 -1.626 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.453 -9.791 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.770 -8.545 -3.814 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.269 -9.351 -4.231 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.676 -5.828 -1.353 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.491 -7.097 -1.747 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.954 -5.898 -2.979 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.274 -11.818 -5.174 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.174 -11.937 -6.123 1.00 0.00 C ATOM 1293 C LYS A 83 -0.634 -10.564 -6.505 1.00 0.00 C ATOM 1294 O LYS A 83 -1.243 -9.843 -7.296 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.633 -12.684 -7.377 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.495 -13.062 -8.312 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.608 -14.505 -8.776 1.00 0.00 C ATOM 1298 CE LYS A 83 -0.048 -15.469 -7.743 1.00 0.00 C ATOM 1299 NZ LYS A 83 -0.828 -15.437 -6.474 1.00 0.00 N ATOM 0 H LYS A 83 -3.197 -11.990 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.374 -12.502 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.162 -13.589 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.346 -12.063 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.499 -12.400 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.458 -12.916 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.653 -14.745 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.073 -14.628 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.056 -16.481 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.992 -15.216 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.574 -16.259 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.610 -14.563 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.845 -15.467 -6.691 1.00 0.00 H new ATOM 1313 N LEU A 84 0.514 -10.207 -5.938 1.00 0.00 N ATOM 1314 CA LEU A 84 1.137 -8.919 -6.218 1.00 0.00 C ATOM 1315 C LEU A 84 2.326 -9.083 -7.160 1.00 0.00 C ATOM 1316 O LEU A 84 3.222 -9.890 -6.910 1.00 0.00 O ATOM 1317 CB LEU A 84 1.590 -8.253 -4.918 1.00 0.00 C ATOM 1318 CG LEU A 84 0.467 -7.644 -4.077 1.00 0.00 C ATOM 1319 CD1 LEU A 84 1.035 -6.946 -2.851 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.355 -6.672 -4.912 1.00 0.00 C ATOM 0 H LEU A 84 1.031 -10.792 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 84 0.396 -8.284 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.116 -8.992 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.308 -7.469 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.187 -8.449 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.221 -6.519 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.581 -7.667 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.711 -6.151 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.150 -6.248 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.288 -5.872 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.793 -7.200 -5.759 1.00 0.00 H new ATOM 1332 N PHE A 85 2.326 -8.315 -8.243 1.00 0.00 N ATOM 1333 CA PHE A 85 3.404 -8.373 -9.224 1.00 0.00 C ATOM 1334 C PHE A 85 3.515 -9.767 -9.840 1.00 0.00 C ATOM 1335 O PHE A 85 4.554 -10.131 -10.388 1.00 0.00 O ATOM 1336 CB PHE A 85 4.733 -7.985 -8.574 1.00 0.00 C ATOM 1337 CG PHE A 85 4.666 -6.706 -7.788 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.282 -5.523 -8.398 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.985 -6.689 -6.440 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.218 -4.345 -7.677 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.924 -5.514 -5.714 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.540 -4.341 -6.334 1.00 0.00 C ATOM 0 H PHE A 85 1.591 -7.644 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 85 3.172 -7.664 -10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.054 -8.791 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.492 -7.886 -9.350 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.030 -5.521 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.285 -7.604 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.917 -3.429 -8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.176 -5.513 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.492 -3.422 -5.769 1.00 0.00 H new ATOM 1352 N ASP A 86 2.436 -10.543 -9.747 1.00 0.00 N ATOM 1353 CA ASP A 86 2.415 -11.894 -10.297 1.00 0.00 C ATOM 1354 C ASP A 86 3.581 -12.723 -9.766 1.00 0.00 C ATOM 1355 O ASP A 86 4.106 -13.590 -10.465 1.00 0.00 O ATOM 1356 CB ASP A 86 2.464 -11.846 -11.825 1.00 0.00 C ATOM 1357 CG ASP A 86 1.192 -11.280 -12.427 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.124 -11.422 -11.797 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.266 -10.694 -13.527 1.00 0.00 O ATOM 0 H ASP A 86 1.567 -10.258 -9.296 1.00 0.00 H new ATOM 0 HA ASP A 86 1.486 -12.369 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.313 -11.239 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.630 -12.851 -12.212 1.00 0.00 H new ATOM 1364 N ARG A 87 3.980 -12.451 -8.528 1.00 0.00 N ATOM 1365 CA ARG A 87 5.084 -13.173 -7.905 1.00 0.00 C ATOM 1366 C ARG A 87 4.914 -13.230 -6.391 1.00 0.00 C ATOM 1367 O ARG A 87 4.538 -14.262 -5.836 1.00 0.00 O ATOM 1368 CB ARG A 87 6.418 -12.509 -8.257 1.00 0.00 C ATOM 1369 CG ARG A 87 7.081 -13.090 -9.495 1.00 0.00 C ATOM 1370 CD ARG A 87 8.062 -12.108 -10.113 1.00 0.00 C ATOM 1371 NE ARG A 87 8.919 -12.744 -11.111 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.528 -13.028 -12.351 1.00 0.00 C ATOM 1373 NH1 ARG A 87 7.295 -12.736 -12.749 1.00 0.00 N ATOM 1374 NH2 ARG A 87 9.371 -13.605 -13.196 1.00 0.00 N ATOM 0 H ARG A 87 3.556 -11.736 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 87 5.081 -14.193 -8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.254 -11.442 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.098 -12.608 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.603 -14.010 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.318 -13.354 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.512 -11.289 -10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.681 -11.672 -9.329 1.00 0.00 H new ATOM 0 HE ARG A 87 9.873 -12.984 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.642 -12.292 -12.103 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.001 -12.956 -13.701 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.319 -13.831 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.071 -13.823 -14.146 1.00 0.00 H new ATOM 1388 N ALA A 88 5.195 -12.113 -5.727 1.00 0.00 N ATOM 1389 CA ALA A 88 5.074 -12.035 -4.277 1.00 0.00 C ATOM 1390 C ALA A 88 3.619 -12.150 -3.838 1.00 0.00 C ATOM 1391 O ALA A 88 2.738 -11.492 -4.392 1.00 0.00 O ATOM 1392 CB ALA A 88 5.680 -10.737 -3.767 1.00 0.00 C ATOM 0 H ALA A 88 5.508 -11.250 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 88 5.621 -12.874 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.583 -10.692 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.735 -10.696 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.157 -9.891 -4.214 1.00 0.00 H new ATOM 1398 N LYS A 89 3.374 -12.989 -2.837 1.00 0.00 N ATOM 1399 CA LYS A 89 2.024 -13.191 -2.321 1.00 0.00 C ATOM 1400 C LYS A 89 1.928 -12.742 -0.866 1.00 0.00 C ATOM 1401 O LYS A 89 2.801 -13.048 -0.054 1.00 0.00 O ATOM 1402 CB LYS A 89 1.624 -14.662 -2.440 1.00 0.00 C ATOM 1403 CG LYS A 89 1.285 -15.089 -3.859 1.00 0.00 C ATOM 1404 CD LYS A 89 1.252 -16.603 -3.993 1.00 0.00 C ATOM 1405 CE LYS A 89 1.947 -17.065 -5.263 1.00 0.00 C ATOM 1406 NZ LYS A 89 2.062 -18.548 -5.326 1.00 0.00 N ATOM 0 H LYS A 89 4.092 -13.540 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 89 1.339 -12.587 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.439 -15.283 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.763 -14.849 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.317 -14.677 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.021 -14.678 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.735 -17.057 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.218 -16.946 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.393 -16.707 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.941 -16.621 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.993 -18.808 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.959 -18.945 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.314 -18.928 -5.941 1.00 0.00 H new ATOM 1420 N VAL A 90 0.863 -12.016 -0.545 1.00 0.00 N ATOM 1421 CA VAL A 90 0.654 -11.526 0.811 1.00 0.00 C ATOM 1422 C VAL A 90 -0.701 -11.971 1.354 1.00 0.00 C ATOM 1423 O VAL A 90 -1.678 -12.064 0.612 1.00 0.00 O ATOM 1424 CB VAL A 90 0.736 -9.989 0.873 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.758 -9.512 2.317 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.962 -9.488 0.120 1.00 0.00 C ATOM 0 H VAL A 90 0.131 -11.754 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 90 1.448 -11.951 1.425 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.151 -9.577 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.816 -8.424 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.152 -9.837 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.625 -9.932 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.003 -8.400 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.862 -9.908 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.899 -9.797 -0.924 1.00 0.00 H new ATOM 1436 N ASN A 91 -0.750 -12.242 2.654 1.00 0.00 N ATOM 1437 CA ASN A 91 -1.984 -12.676 3.297 1.00 0.00 C ATOM 1438 C ASN A 91 -2.978 -11.523 3.396 1.00 0.00 C ATOM 1439 O ASN A 91 -2.729 -10.534 4.084 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.688 -13.231 4.692 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.910 -13.855 5.339 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -2.960 -13.820 6.665 1.00 0.00 O flip ATOM 1443 ND2 ASN A 91 -3.798 -14.363 4.654 1.00 0.00 N flip ATOM 0 H ASN A 91 0.050 -12.169 3.282 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.427 -13.463 2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.896 -13.977 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.314 -12.428 5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.718 -14.368 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.614 -14.779 5.103 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.103 -11.657 2.701 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.133 -10.625 2.709 1.00 0.00 C ATOM 1452 C VAL A 92 -5.770 -10.496 4.090 1.00 0.00 C ATOM 1453 O VAL A 92 -6.192 -9.412 4.490 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.235 -10.920 1.674 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.206 -9.753 1.576 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -5.625 -11.229 0.314 1.00 0.00 C ATOM 0 H VAL A 92 -4.324 -12.470 2.126 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.642 -9.687 2.447 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.790 -11.797 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.976 -9.982 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.671 -9.584 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.667 -8.856 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.420 -11.435 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.042 -10.373 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.976 -12.101 0.396 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.835 -11.610 4.810 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.421 -11.625 6.145 1.00 0.00 C ATOM 1468 C ASN A 93 -5.602 -10.773 7.110 1.00 0.00 C ATOM 1469 O ASN A 93 -6.155 -10.069 7.956 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.515 -13.061 6.667 1.00 0.00 C ATOM 1471 CG ASN A 93 -7.890 -13.389 7.214 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.033 -13.782 8.372 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.912 -13.229 6.381 1.00 0.00 N ATOM 0 H ASN A 93 -5.489 -12.515 4.491 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.424 -11.203 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.273 -13.754 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.771 -13.210 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.861 -13.434 6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.748 -12.901 5.429 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.281 -10.843 6.980 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.385 -10.080 7.843 1.00 0.00 C ATOM 1482 C LEU A 94 -3.011 -8.746 7.203 1.00 0.00 C ATOM 1483 O LEU A 94 -2.713 -7.776 7.900 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.122 -10.889 8.141 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.260 -11.913 9.268 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.030 -12.804 9.335 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.485 -11.210 10.599 1.00 0.00 C ATOM 0 H LEU A 94 -3.807 -11.420 6.285 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.908 -9.876 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.820 -11.410 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.318 -10.198 8.395 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.126 -12.541 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.147 -13.526 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.912 -13.334 8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.147 -12.192 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.581 -11.953 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.638 -10.558 10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.397 -10.615 10.547 1.00 0.00 H new ATOM 1499 N LEU A 95 -3.026 -8.704 5.875 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.686 -7.487 5.143 1.00 0.00 C ATOM 1501 C LEU A 95 -3.584 -6.327 5.564 1.00 0.00 C ATOM 1502 O LEU A 95 -3.110 -5.215 5.794 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.810 -7.721 3.637 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.536 -6.494 2.767 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -1.081 -6.067 2.889 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.889 -6.781 1.315 1.00 0.00 C ATOM 0 H LEU A 95 -3.270 -9.498 5.283 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.654 -7.228 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.119 -8.513 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.816 -8.082 3.422 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.164 -5.675 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.905 -5.192 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.860 -5.820 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.434 -6.882 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.688 -5.897 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.287 -7.614 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.946 -7.038 1.241 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.881 -6.596 5.665 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.843 -5.574 6.059 1.00 0.00 C ATOM 1520 C ILE A 96 -5.715 -5.245 7.542 1.00 0.00 C ATOM 1521 O ILE A 96 -5.838 -4.088 7.944 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.289 -6.018 5.764 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.411 -6.506 4.319 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.259 -4.876 6.027 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.732 -7.180 4.018 1.00 0.00 C ATOM 0 H ILE A 96 -5.290 -7.512 5.480 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.619 -4.684 5.471 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.542 -6.843 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.283 -5.658 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.600 -7.204 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.276 -5.206 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.188 -4.571 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.009 -4.031 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.748 -7.500 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.854 -8.048 4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.547 -6.478 4.195 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.465 -6.269 8.352 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.319 -6.088 9.791 1.00 0.00 C ATOM 1539 C PHE A 97 -4.152 -5.156 10.106 1.00 0.00 C ATOM 1540 O PHE A 97 -4.210 -4.371 11.053 1.00 0.00 O ATOM 1541 CB PHE A 97 -5.107 -7.439 10.478 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.977 -7.340 11.971 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -6.014 -6.834 12.738 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -3.818 -7.753 12.607 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -5.898 -6.741 14.111 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -3.695 -7.663 13.981 1.00 0.00 C ATOM 1547 CZ PHE A 97 -4.736 -7.156 14.734 1.00 0.00 C ATOM 0 H PHE A 97 -5.359 -7.233 8.036 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.235 -5.636 10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.944 -8.095 10.237 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.209 -7.906 10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.924 -6.508 12.256 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.001 -8.150 12.023 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.714 -6.345 14.697 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.786 -7.989 14.465 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.642 -7.084 15.808 1.00 0.00 H new ATOM 1557 N LEU A 98 -3.096 -5.249 9.306 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.915 -4.414 9.498 1.00 0.00 C ATOM 1559 C LEU A 98 -2.193 -2.974 9.077 1.00 0.00 C ATOM 1560 O LEU A 98 -1.802 -2.031 9.764 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.734 -4.972 8.702 1.00 0.00 C ATOM 1562 CG LEU A 98 0.574 -4.193 8.850 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.134 -4.356 10.255 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.587 -4.653 7.813 1.00 0.00 C ATOM 0 H LEU A 98 -3.033 -5.894 8.518 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.664 -4.422 10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.562 -6.003 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.006 -4.997 7.647 1.00 0.00 H new ATOM 0 HG LEU A 98 0.368 -3.136 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.065 -3.795 10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.413 -3.979 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.326 -5.411 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.512 -4.089 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.790 -5.715 7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.186 -4.485 6.813 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.869 -2.814 7.944 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.198 -1.489 7.432 1.00 0.00 C ATOM 1578 C LEU A 99 -4.314 -0.848 8.251 1.00 0.00 C ATOM 1579 O LEU A 99 -4.378 0.373 8.383 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.617 -1.579 5.963 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.587 -2.221 5.033 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.200 -2.505 3.672 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.364 -1.326 4.894 1.00 0.00 C ATOM 0 H LEU A 99 -3.199 -3.585 7.363 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.308 -0.865 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.545 -2.148 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.834 -0.574 5.601 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.271 -3.168 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.452 -2.962 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.044 -3.185 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.545 -1.572 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.641 -1.798 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.663 -0.363 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.911 -1.175 5.874 1.00 0.00 H new ATOM 1595 N ASN A 100 -5.193 -1.683 8.799 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.306 -1.197 9.605 1.00 0.00 C ATOM 1597 C ASN A 100 -5.808 -0.405 10.810 1.00 0.00 C ATOM 1598 O ASN A 100 -6.498 0.486 11.307 1.00 0.00 O ATOM 1599 CB ASN A 100 -7.171 -2.369 10.075 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.531 -1.921 10.572 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.651 -1.351 11.657 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -9.565 -2.179 9.779 1.00 0.00 N ATOM 0 H ASN A 100 -5.155 -2.697 8.699 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.906 -0.533 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -7.301 -3.073 9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.653 -2.902 10.872 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.505 -1.902 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.419 -2.654 8.888 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.608 -0.734 11.277 1.00 0.00 N ATOM 1610 CA LYS A 101 -4.022 -0.051 12.426 1.00 0.00 C ATOM 1611 C LYS A 101 -2.851 0.830 11.999 1.00 0.00 C ATOM 1612 O LYS A 101 -2.583 1.863 12.614 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.561 -1.070 13.469 1.00 0.00 C ATOM 1614 CG LYS A 101 -4.088 -0.788 14.867 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.146 -1.320 15.937 1.00 0.00 C ATOM 1616 CE LYS A 101 -3.652 -2.626 16.528 1.00 0.00 C ATOM 1617 NZ LYS A 101 -3.471 -2.674 18.005 1.00 0.00 N ATOM 0 H LYS A 101 -4.023 -1.468 10.879 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.787 0.588 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.884 -2.064 13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.471 -1.083 13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.219 0.286 14.998 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.070 -1.245 14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.156 -1.474 15.507 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.038 -0.579 16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.708 -2.748 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.122 -3.461 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.828 -3.580 18.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.461 -2.583 18.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.997 -1.892 18.445 1.00 0.00 H new ATOM 1631 N LYS A 102 -2.154 0.414 10.947 1.00 0.00 N ATOM 1632 CA LYS A 102 -1.011 1.166 10.443 1.00 0.00 C ATOM 1633 C LYS A 102 -1.457 2.486 9.822 1.00 0.00 C ATOM 1634 O LYS A 102 -1.293 3.550 10.418 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.243 0.338 9.412 1.00 0.00 C ATOM 1636 CG LYS A 102 0.705 -0.676 10.031 1.00 0.00 C ATOM 1637 CD LYS A 102 1.908 0.003 10.666 1.00 0.00 C ATOM 1638 CE LYS A 102 2.868 -1.011 11.266 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.170 -0.391 11.639 1.00 0.00 N ATOM 0 H LYS A 102 -2.360 -0.439 10.427 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.354 1.386 11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.956 -0.185 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.326 1.010 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.175 -1.259 10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.042 -1.375 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.428 0.599 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.571 0.690 11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.415 -1.462 12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.041 -1.815 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.935 -1.083 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.345 0.438 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.141 -0.095 12.636 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.020 2.411 8.620 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.488 3.600 7.918 1.00 0.00 C ATOM 1655 C PHE A 103 -3.814 4.086 8.494 1.00 0.00 C ATOM 1656 O PHE A 103 -3.948 5.248 8.875 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.642 3.310 6.425 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.333 3.130 5.710 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.596 1.967 5.869 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.841 4.124 4.880 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.608 1.800 5.213 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.364 3.961 4.221 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.089 2.798 4.388 1.00 0.00 C ATOM 0 H PHE A 103 -2.163 1.538 8.112 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.745 4.386 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.243 2.409 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.192 4.128 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.967 1.183 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.404 5.036 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.173 0.889 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.737 4.743 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.030 2.669 3.875 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.792 3.188 8.554 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.108 3.526 9.083 1.00 0.00 C ATOM 1675 C TYR A 104 -6.040 3.783 10.586 1.00 0.00 C ATOM 1676 O TYR A 104 -6.503 2.971 11.387 1.00 0.00 O ATOM 1677 CB TYR A 104 -7.103 2.402 8.788 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.887 2.606 7.510 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -8.947 3.503 7.459 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -7.567 1.902 6.357 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -9.666 3.691 6.294 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -8.280 2.086 5.188 1.00 0.00 C ATOM 1683 CZ TYR A 104 -9.329 2.981 5.162 1.00 0.00 C ATOM 1684 OH TYR A 104 -10.042 3.167 3.999 1.00 0.00 O ATOM 0 H TYR A 104 -4.698 2.221 8.243 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.447 4.438 8.593 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.563 1.457 8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.800 2.317 9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.213 4.062 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.747 1.199 6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -10.488 4.391 6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.017 1.532 4.299 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.385 4.085 3.968 1.00 0.00 H new