USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1013 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.846 K(o=0.14,f=-0.39) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 164:sc= 0.985 (180deg=0.861) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.62) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 MET CE :methyl -157:sc= -0.0112 (180deg=0) USER MOD Set 3.2: A 53 MET CE :methyl 176:sc= -2.19! (180deg=-2.58!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0634 K(o=-0.063,f=-2.2) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.22) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -27:sc= 0.0998 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.08! C(o=-3.1!,f=-5.2!) USER MOD Single : A 48 THR OG1 : rot -145:sc= 1.01 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.0157 USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.443 (180deg=-0.236!) USER MOD Single : A 60 ASN : amide:sc= -0.0423 K(o=-0.042,f=-2.7!) USER MOD Single : A 61 MET CE :methyl -150:sc= -0.176 (180deg=-2.2!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 70 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.059) USER MOD Single : A 72 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.2) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.295 K(o=-0.29,f=-4.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 95 HIS :FLIP no HE2:sc= -0.135 F(o=-1.2,f=-0.13) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 170:sc= 0.0287 USER MOD Single : A 101 THR OG1 : rot 106:sc= 1.21 USER MOD Single : A 104 ASN : amide:sc= 0.382 K(o=0.38,f=-5.9!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 101:sc= 1.3 USER MOD Single : A 116 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0471) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 136:sc= 1.27 (180deg=1.05) USER MOD Single : A 126 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -112:sc= -0.134 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 0.780 7.469 10.428 1.00 0.00 N ATOM 114 CA LEU A 8 0.920 7.229 8.998 1.00 0.00 C ATOM 115 C LEU A 8 1.350 8.507 8.222 1.00 0.00 C ATOM 116 O LEU A 8 0.626 9.494 8.109 1.00 0.00 O ATOM 117 CB LEU A 8 -0.346 6.443 8.560 1.00 0.00 C ATOM 118 CG LEU A 8 -0.606 6.244 7.062 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.504 7.388 6.588 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.665 6.051 6.222 1.00 0.00 C ATOM 0 HA LEU A 8 1.763 6.591 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.299 5.457 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.213 6.951 8.982 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.123 5.296 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.707 7.274 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.443 7.366 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.002 8.340 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.392 5.917 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.304 6.929 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.202 5.170 6.572 1.00 0.00 H new ATOM 132 N SER A 9 2.595 8.517 7.727 1.00 0.00 N ATOM 133 CA SER A 9 3.212 9.671 7.066 1.00 0.00 C ATOM 134 C SER A 9 2.424 10.096 5.811 1.00 0.00 C ATOM 135 O SER A 9 2.052 11.268 5.686 1.00 0.00 O ATOM 136 CB SER A 9 4.684 9.347 6.760 1.00 0.00 C ATOM 137 OG SER A 9 5.383 10.468 6.255 1.00 0.00 O ATOM 0 H SER A 9 3.212 7.706 7.777 1.00 0.00 H new ATOM 0 HA SER A 9 3.182 10.531 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.173 8.995 7.668 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.733 8.534 6.036 1.00 0.00 H new ATOM 0 HG SER A 9 6.314 10.219 6.076 1.00 0.00 H new ATOM 143 N LEU A 10 2.153 9.157 4.892 1.00 0.00 N ATOM 144 CA LEU A 10 1.328 9.386 3.700 1.00 0.00 C ATOM 145 C LEU A 10 -0.099 9.807 4.072 1.00 0.00 C ATOM 146 O LEU A 10 -0.489 9.735 5.232 1.00 0.00 O ATOM 147 CB LEU A 10 1.361 8.156 2.759 1.00 0.00 C ATOM 148 CG LEU A 10 2.675 7.872 1.982 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.485 6.800 0.900 1.00 0.00 C ATOM 150 CD2 LEU A 10 3.233 9.135 1.311 1.00 0.00 C ATOM 0 H LEU A 10 2.507 8.203 4.959 1.00 0.00 H new ATOM 0 HA LEU A 10 1.757 10.221 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.127 7.273 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.559 8.271 2.030 1.00 0.00 H new ATOM 0 HG LEU A 10 3.382 7.514 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.430 6.634 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.157 5.870 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.733 7.134 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.152 8.889 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.500 9.527 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.444 9.888 2.071 1.00 0.00 H new ATOM 162 N ASN A 11 -0.923 10.250 3.121 1.00 0.00 N ATOM 163 CA ASN A 11 -2.305 10.664 3.394 1.00 0.00 C ATOM 164 C ASN A 11 -3.283 9.589 2.944 1.00 0.00 C ATOM 165 O ASN A 11 -4.065 9.795 2.015 1.00 0.00 O ATOM 166 CB ASN A 11 -2.626 12.011 2.747 1.00 0.00 C ATOM 167 CG ASN A 11 -3.983 12.569 3.191 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.733 11.963 3.960 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.331 13.745 2.708 1.00 0.00 N ATOM 0 H ASN A 11 -0.654 10.333 2.141 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.410 10.792 4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.843 12.727 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.620 11.900 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.225 14.159 2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.706 14.241 2.072 1.00 0.00 H new ATOM 176 N PHE A 12 -3.240 8.413 3.569 1.00 0.00 N ATOM 177 CA PHE A 12 -4.168 7.344 3.235 1.00 0.00 C ATOM 178 C PHE A 12 -5.606 7.707 3.592 1.00 0.00 C ATOM 179 O PHE A 12 -6.517 7.228 2.926 1.00 0.00 O ATOM 180 CB PHE A 12 -3.723 6.048 3.903 1.00 0.00 C ATOM 181 CG PHE A 12 -2.641 5.324 3.126 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.287 5.670 3.278 1.00 0.00 C ATOM 183 CD2 PHE A 12 -2.985 4.308 2.222 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.282 4.983 2.582 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.978 3.611 1.529 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.625 3.947 1.705 1.00 0.00 C ATOM 0 H PHE A 12 -2.574 8.181 4.306 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.153 7.197 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.357 6.269 4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.584 5.389 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.016 6.478 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.023 4.061 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.754 5.253 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.247 2.811 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.144 3.411 1.168 1.00 0.00 H new ATOM 196 N GLY A 13 -5.820 8.568 4.590 1.00 0.00 N ATOM 197 CA GLY A 13 -7.139 8.991 5.039 1.00 0.00 C ATOM 198 C GLY A 13 -8.014 9.489 3.890 1.00 0.00 C ATOM 199 O GLY A 13 -8.988 8.821 3.530 1.00 0.00 O ATOM 0 H GLY A 13 -5.060 8.998 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.636 8.157 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.031 9.784 5.779 1.00 0.00 H new ATOM 203 N LYS A 14 -7.664 10.636 3.285 1.00 0.00 N ATOM 204 CA LYS A 14 -8.450 11.199 2.180 1.00 0.00 C ATOM 205 C LYS A 14 -8.545 10.211 1.022 1.00 0.00 C ATOM 206 O LYS A 14 -9.643 9.936 0.567 1.00 0.00 O ATOM 207 CB LYS A 14 -7.857 12.535 1.698 1.00 0.00 C ATOM 208 CG LYS A 14 -8.800 13.728 1.890 1.00 0.00 C ATOM 209 CD LYS A 14 -10.017 13.692 0.941 1.00 0.00 C ATOM 210 CE LYS A 14 -10.208 15.043 0.237 1.00 0.00 C ATOM 211 NZ LYS A 14 -11.407 15.069 -0.630 1.00 0.00 N ATOM 0 H LYS A 14 -6.846 11.188 3.542 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.456 11.390 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.928 12.726 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.602 12.450 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.151 13.745 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.246 14.652 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.879 12.907 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.915 13.442 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.289 15.831 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.325 15.264 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.470 15.991 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.337 14.315 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.258 14.920 -0.051 1.00 0.00 H new ATOM 225 N ALA A 15 -7.428 9.663 0.552 1.00 0.00 N ATOM 226 CA ALA A 15 -7.379 8.734 -0.573 1.00 0.00 C ATOM 227 C ALA A 15 -8.340 7.552 -0.381 1.00 0.00 C ATOM 228 O ALA A 15 -9.053 7.194 -1.316 1.00 0.00 O ATOM 229 CB ALA A 15 -5.942 8.236 -0.742 1.00 0.00 C ATOM 0 H ALA A 15 -6.510 9.857 0.952 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.699 9.260 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.894 7.541 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.284 9.083 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.623 7.729 0.169 1.00 0.00 H new ATOM 235 N LEU A 16 -8.393 6.955 0.818 1.00 0.00 N ATOM 236 CA LEU A 16 -9.358 5.905 1.154 1.00 0.00 C ATOM 237 C LEU A 16 -10.767 6.462 1.113 1.00 0.00 C ATOM 238 O LEU A 16 -11.664 5.796 0.614 1.00 0.00 O ATOM 239 CB LEU A 16 -9.147 5.367 2.576 1.00 0.00 C ATOM 240 CG LEU A 16 -7.987 4.378 2.687 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.638 4.184 4.155 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.348 3.001 2.125 1.00 0.00 C ATOM 0 H LEU A 16 -7.763 7.190 1.585 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.213 5.107 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.966 6.204 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.063 4.880 2.912 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.155 4.791 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.811 3.479 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.347 5.141 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.505 3.793 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.494 2.332 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.195 2.593 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.613 3.096 1.072 1.00 0.00 H new ATOM 254 N ASP A 17 -10.965 7.655 1.668 1.00 0.00 N ATOM 255 CA ASP A 17 -12.261 8.312 1.752 1.00 0.00 C ATOM 256 C ASP A 17 -12.843 8.622 0.374 1.00 0.00 C ATOM 257 O ASP A 17 -14.059 8.721 0.248 1.00 0.00 O ATOM 258 CB ASP A 17 -12.145 9.591 2.590 1.00 0.00 C ATOM 259 CG ASP A 17 -13.429 9.855 3.359 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.438 10.303 2.783 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.436 9.603 4.591 1.00 0.00 O ATOM 0 H ASP A 17 -10.209 8.202 2.081 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.950 7.622 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.312 9.500 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.925 10.438 1.940 1.00 0.00 H new ATOM 266 N GLU A 18 -12.008 8.726 -0.664 1.00 0.00 N ATOM 267 CA GLU A 18 -12.439 8.812 -2.051 1.00 0.00 C ATOM 268 C GLU A 18 -12.622 7.402 -2.611 1.00 0.00 C ATOM 269 O GLU A 18 -13.670 7.094 -3.165 1.00 0.00 O ATOM 270 CB GLU A 18 -11.392 9.581 -2.874 1.00 0.00 C ATOM 271 CG GLU A 18 -10.998 10.935 -2.303 1.00 0.00 C ATOM 272 CD GLU A 18 -11.938 12.096 -2.600 1.00 0.00 C ATOM 273 OE1 GLU A 18 -13.170 11.894 -2.706 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.427 13.239 -2.638 1.00 0.00 O ATOM 0 H GLU A 18 -10.994 8.753 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.388 9.345 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.497 8.966 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.779 9.727 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.909 10.836 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.009 11.191 -2.683 1.00 0.00 H new ATOM 281 N CYS A 19 -11.637 6.518 -2.430 1.00 0.00 N ATOM 282 CA CYS A 19 -11.634 5.151 -2.947 1.00 0.00 C ATOM 283 C CYS A 19 -12.898 4.382 -2.549 1.00 0.00 C ATOM 284 O CYS A 19 -13.551 3.729 -3.367 1.00 0.00 O ATOM 285 CB CYS A 19 -10.413 4.429 -2.381 1.00 0.00 C ATOM 286 SG CYS A 19 -10.300 2.725 -2.942 1.00 0.00 S ATOM 0 H CYS A 19 -10.794 6.743 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.604 5.194 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.510 4.965 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.456 4.448 -1.292 1.00 0.00 H new ATOM 291 N LYS A 20 -13.260 4.474 -1.269 1.00 0.00 N ATOM 292 CA LYS A 20 -14.466 3.870 -0.716 1.00 0.00 C ATOM 293 C LYS A 20 -15.702 4.364 -1.457 1.00 0.00 C ATOM 294 O LYS A 20 -16.654 3.603 -1.597 1.00 0.00 O ATOM 295 CB LYS A 20 -14.547 4.142 0.801 1.00 0.00 C ATOM 296 CG LYS A 20 -14.731 5.624 1.170 1.00 0.00 C ATOM 297 CD LYS A 20 -16.150 6.055 1.565 1.00 0.00 C ATOM 298 CE LYS A 20 -16.394 5.560 2.997 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.564 6.165 3.666 1.00 0.00 N ATOM 0 H LYS A 20 -12.710 4.981 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.423 2.790 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.377 3.571 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.637 3.772 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.060 5.857 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.413 6.230 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.252 7.139 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.885 5.631 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.523 4.478 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.505 5.763 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.736 5.681 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.380 7.173 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.401 6.068 3.057 1.00 0.00 H new ATOM 313 N LYS A 21 -15.720 5.615 -1.928 1.00 0.00 N ATOM 314 CA LYS A 21 -16.832 6.143 -2.694 1.00 0.00 C ATOM 315 C LYS A 21 -16.739 5.614 -4.125 1.00 0.00 C ATOM 316 O LYS A 21 -17.768 5.196 -4.651 1.00 0.00 O ATOM 317 CB LYS A 21 -16.857 7.683 -2.643 1.00 0.00 C ATOM 318 CG LYS A 21 -16.929 8.183 -1.192 1.00 0.00 C ATOM 319 CD LYS A 21 -16.909 9.715 -1.103 1.00 0.00 C ATOM 320 CE LYS A 21 -17.103 10.175 0.348 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.533 10.204 0.735 1.00 0.00 N ATOM 0 H LYS A 21 -14.961 6.282 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.774 5.808 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.964 8.081 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.715 8.055 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.839 7.806 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.089 7.777 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.962 10.094 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.697 10.131 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.560 9.506 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.673 11.169 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.619 10.520 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.047 10.862 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.938 9.251 0.640 1.00 0.00 H new ATOM 335 N GLU A 22 -15.541 5.601 -4.724 1.00 0.00 N ATOM 336 CA GLU A 22 -15.284 5.208 -6.109 1.00 0.00 C ATOM 337 C GLU A 22 -15.793 3.800 -6.362 1.00 0.00 C ATOM 338 O GLU A 22 -16.696 3.618 -7.180 1.00 0.00 O ATOM 339 CB GLU A 22 -13.793 5.270 -6.476 1.00 0.00 C ATOM 340 CG GLU A 22 -13.255 6.691 -6.666 1.00 0.00 C ATOM 341 CD GLU A 22 -11.787 6.686 -7.112 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.996 5.808 -6.706 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.367 7.615 -7.843 1.00 0.00 O ATOM 0 H GLU A 22 -14.691 5.876 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.816 5.924 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.216 4.776 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.632 4.706 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.859 7.213 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.350 7.244 -5.732 1.00 0.00 H new ATOM 350 N MET A 23 -15.243 2.809 -5.655 1.00 0.00 N ATOM 351 CA MET A 23 -15.631 1.416 -5.852 1.00 0.00 C ATOM 352 C MET A 23 -16.988 1.132 -5.205 1.00 0.00 C ATOM 353 O MET A 23 -17.552 0.056 -5.394 1.00 0.00 O ATOM 354 CB MET A 23 -14.611 0.439 -5.251 1.00 0.00 C ATOM 355 CG MET A 23 -13.130 0.833 -5.217 1.00 0.00 C ATOM 356 SD MET A 23 -12.032 -0.453 -5.865 1.00 0.00 S ATOM 357 CE MET A 23 -12.276 -0.132 -7.634 1.00 0.00 C ATOM 0 H MET A 23 -14.528 2.949 -4.942 1.00 0.00 H new ATOM 0 HA MET A 23 -15.680 1.266 -6.930 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.919 0.232 -4.226 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.689 -0.498 -5.803 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.991 1.746 -5.796 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.845 1.061 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.034 -1.029 -8.203 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.315 0.143 -7.814 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.625 0.684 -7.949 1.00 0.00 H new ATOM 367 N THR A 24 -17.484 2.077 -4.406 1.00 0.00 N ATOM 368 CA THR A 24 -18.565 1.898 -3.461 1.00 0.00 C ATOM 369 C THR A 24 -18.282 0.671 -2.574 1.00 0.00 C ATOM 370 O THR A 24 -18.986 -0.342 -2.617 1.00 0.00 O ATOM 371 CB THR A 24 -19.909 1.902 -4.215 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.962 2.940 -5.181 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.043 2.142 -3.221 1.00 0.00 C ATOM 0 H THR A 24 -17.120 3.030 -4.407 1.00 0.00 H new ATOM 0 HA THR A 24 -18.638 2.729 -2.759 1.00 0.00 H new ATOM 0 HB THR A 24 -20.009 0.938 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.378 3.676 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.996 2.146 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.046 1.348 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.898 3.104 -2.729 1.00 0.00 H new ATOM 381 N LEU A 25 -17.205 0.760 -1.785 1.00 0.00 N ATOM 382 CA LEU A 25 -16.852 -0.234 -0.771 1.00 0.00 C ATOM 383 C LEU A 25 -17.743 -0.039 0.466 1.00 0.00 C ATOM 384 O LEU A 25 -18.594 0.858 0.530 1.00 0.00 O ATOM 385 CB LEU A 25 -15.356 -0.174 -0.367 1.00 0.00 C ATOM 386 CG LEU A 25 -14.336 -0.295 -1.516 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.906 -0.184 -0.980 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.469 -1.628 -2.262 1.00 0.00 C ATOM 0 H LEU A 25 -16.546 1.537 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.020 -1.220 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.178 0.768 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.162 -0.973 0.349 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.546 0.521 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.200 -0.272 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.775 0.781 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.724 -0.983 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.732 -1.672 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.300 -2.452 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.470 -1.710 -2.685 1.00 0.00 H new ATOM 400 N THR A 26 -17.523 -0.898 1.452 1.00 0.00 N ATOM 401 CA THR A 26 -18.071 -0.862 2.794 1.00 0.00 C ATOM 402 C THR A 26 -17.433 0.299 3.578 1.00 0.00 C ATOM 403 O THR A 26 -16.648 1.084 3.031 1.00 0.00 O ATOM 404 CB THR A 26 -17.819 -2.252 3.418 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.463 -2.616 3.226 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.687 -3.319 2.741 1.00 0.00 C ATOM 0 H THR A 26 -16.907 -1.700 1.320 1.00 0.00 H new ATOM 0 HA THR A 26 -19.144 -0.670 2.808 1.00 0.00 H new ATOM 0 HB THR A 26 -18.065 -2.195 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.301 -3.497 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.492 -4.290 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.740 -3.064 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.447 -3.363 1.679 1.00 0.00 H new ATOM 414 N ASP A 27 -17.781 0.474 4.857 1.00 0.00 N ATOM 415 CA ASP A 27 -17.145 1.487 5.714 1.00 0.00 C ATOM 416 C ASP A 27 -16.087 0.882 6.626 1.00 0.00 C ATOM 417 O ASP A 27 -15.152 1.571 7.030 1.00 0.00 O ATOM 418 CB ASP A 27 -18.186 2.244 6.542 1.00 0.00 C ATOM 419 CG ASP A 27 -17.742 3.696 6.748 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.561 4.381 5.713 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.638 4.167 7.907 1.00 0.00 O ATOM 0 H ASP A 27 -18.502 -0.074 5.326 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.647 2.192 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.152 2.219 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.319 1.756 7.508 1.00 0.00 H new ATOM 426 N ALA A 28 -16.206 -0.421 6.894 1.00 0.00 N ATOM 427 CA ALA A 28 -15.278 -1.205 7.695 1.00 0.00 C ATOM 428 C ALA A 28 -13.830 -0.994 7.256 1.00 0.00 C ATOM 429 O ALA A 28 -12.965 -0.918 8.119 1.00 0.00 O ATOM 430 CB ALA A 28 -15.659 -2.686 7.630 1.00 0.00 C ATOM 0 H ALA A 28 -16.986 -0.976 6.542 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.350 -0.864 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.961 -3.268 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.669 -2.819 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.618 -3.027 6.596 1.00 0.00 H new ATOM 436 N ILE A 29 -13.576 -0.833 5.950 1.00 0.00 N ATOM 437 CA ILE A 29 -12.262 -0.563 5.358 1.00 0.00 C ATOM 438 C ILE A 29 -11.491 0.550 6.087 1.00 0.00 C ATOM 439 O ILE A 29 -10.266 0.495 6.133 1.00 0.00 O ATOM 440 CB ILE A 29 -12.381 -0.376 3.825 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.956 0.991 3.404 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.208 -1.496 3.173 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.812 1.976 3.197 1.00 0.00 C ATOM 0 H ILE A 29 -14.314 -0.890 5.248 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.634 -1.442 5.507 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.353 -0.422 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.533 0.888 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.638 1.363 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.267 -1.326 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.732 -2.458 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.213 -1.499 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.215 2.944 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.254 2.086 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.148 1.604 2.417 1.00 0.00 H new ATOM 455 N ASN A 30 -12.180 1.535 6.670 1.00 0.00 N ATOM 456 CA ASN A 30 -11.579 2.668 7.370 1.00 0.00 C ATOM 457 C ASN A 30 -10.760 2.235 8.593 1.00 0.00 C ATOM 458 O ASN A 30 -9.805 2.910 8.968 1.00 0.00 O ATOM 459 CB ASN A 30 -12.730 3.572 7.816 1.00 0.00 C ATOM 460 CG ASN A 30 -12.283 4.929 8.332 1.00 0.00 C ATOM 461 OD1 ASN A 30 -12.234 5.165 9.537 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.030 5.890 7.458 1.00 0.00 N ATOM 0 H ASN A 30 -13.200 1.565 6.667 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.888 3.180 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.409 3.719 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.295 3.065 8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.794 6.827 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.071 5.694 6.458 1.00 0.00 H new ATOM 469 N GLU A 31 -11.136 1.110 9.202 1.00 0.00 N ATOM 470 CA GLU A 31 -10.417 0.454 10.294 1.00 0.00 C ATOM 471 C GLU A 31 -9.711 -0.796 9.768 1.00 0.00 C ATOM 472 O GLU A 31 -8.513 -0.960 9.986 1.00 0.00 O ATOM 473 CB GLU A 31 -11.398 0.071 11.415 1.00 0.00 C ATOM 474 CG GLU A 31 -11.752 1.247 12.334 1.00 0.00 C ATOM 475 CD GLU A 31 -10.772 1.342 13.504 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.006 0.681 14.545 1.00 0.00 O ATOM 477 OE2 GLU A 31 -9.737 2.032 13.400 1.00 0.00 O ATOM 0 H GLU A 31 -11.985 0.611 8.937 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.674 1.142 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.312 -0.323 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.963 -0.730 12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.735 2.176 11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.766 1.124 12.714 1.00 0.00 H new ATOM 484 N ASP A 32 -10.452 -1.667 9.078 1.00 0.00 N ATOM 485 CA ASP A 32 -10.082 -3.026 8.675 1.00 0.00 C ATOM 486 C ASP A 32 -8.785 -3.059 7.859 1.00 0.00 C ATOM 487 O ASP A 32 -7.992 -3.993 7.960 1.00 0.00 O ATOM 488 CB ASP A 32 -11.246 -3.632 7.880 1.00 0.00 C ATOM 489 CG ASP A 32 -11.093 -5.129 7.626 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.920 -5.893 8.599 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.297 -5.563 6.464 1.00 0.00 O ATOM 0 H ASP A 32 -11.392 -1.424 8.764 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.891 -3.617 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.176 -3.456 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.331 -3.116 6.924 1.00 0.00 H new ATOM 496 N PHE A 33 -8.531 -1.999 7.089 1.00 0.00 N ATOM 497 CA PHE A 33 -7.289 -1.798 6.360 1.00 0.00 C ATOM 498 C PHE A 33 -6.104 -1.614 7.304 1.00 0.00 C ATOM 499 O PHE A 33 -5.133 -2.357 7.200 1.00 0.00 O ATOM 500 CB PHE A 33 -7.477 -0.590 5.445 1.00 0.00 C ATOM 501 CG PHE A 33 -6.282 -0.186 4.614 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.588 -1.118 3.823 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.881 1.158 4.618 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.507 -0.690 3.037 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.841 1.594 3.782 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.148 0.667 2.987 1.00 0.00 C ATOM 0 H PHE A 33 -9.202 -1.242 6.956 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.060 -2.682 5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.308 -0.798 4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.770 0.262 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.885 -2.156 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.376 1.863 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.945 -1.412 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.574 2.640 3.750 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.346 0.995 2.343 1.00 0.00 H new ATOM 516 N TYR A 34 -6.185 -0.647 8.219 1.00 0.00 N ATOM 517 CA TYR A 34 -5.129 -0.373 9.191 1.00 0.00 C ATOM 518 C TYR A 34 -4.914 -1.596 10.095 1.00 0.00 C ATOM 519 O TYR A 34 -3.787 -1.949 10.438 1.00 0.00 O ATOM 520 CB TYR A 34 -5.454 0.884 10.013 1.00 0.00 C ATOM 521 CG TYR A 34 -5.419 2.208 9.250 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.431 2.520 8.320 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.376 3.136 9.461 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.383 3.712 7.574 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.324 4.338 8.730 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.324 4.625 7.774 1.00 0.00 C ATOM 527 OH TYR A 34 -5.256 5.781 7.059 1.00 0.00 O ATOM 0 H TYR A 34 -6.991 -0.028 8.306 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.200 -0.179 8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.446 0.764 10.448 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.748 0.945 10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.254 1.835 8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.610 2.921 10.191 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.154 3.928 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.521 5.040 8.900 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.461 6.287 7.330 1.00 0.00 H new ATOM 537 N ASN A 35 -6.011 -2.260 10.464 1.00 0.00 N ATOM 538 CA ASN A 35 -6.055 -3.480 11.245 1.00 0.00 C ATOM 539 C ASN A 35 -5.201 -4.589 10.628 1.00 0.00 C ATOM 540 O ASN A 35 -4.480 -5.243 11.375 1.00 0.00 O ATOM 541 CB ASN A 35 -7.517 -3.935 11.370 1.00 0.00 C ATOM 542 CG ASN A 35 -8.278 -3.342 12.544 1.00 0.00 C ATOM 543 OD1 ASN A 35 -9.328 -2.720 12.410 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.792 -3.538 13.753 1.00 0.00 N ATOM 0 H ASN A 35 -6.943 -1.935 10.206 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.639 -3.275 12.231 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.041 -3.678 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.537 -5.021 11.455 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.287 -3.174 14.567 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.920 -4.054 13.875 1.00 0.00 H new ATOM 551 N PHE A 36 -5.261 -4.812 9.308 1.00 0.00 N ATOM 552 CA PHE A 36 -4.559 -5.903 8.617 1.00 0.00 C ATOM 553 C PHE A 36 -3.065 -5.959 8.971 1.00 0.00 C ATOM 554 O PHE A 36 -2.496 -7.045 9.082 1.00 0.00 O ATOM 555 CB PHE A 36 -4.735 -5.726 7.093 1.00 0.00 C ATOM 556 CG PHE A 36 -3.950 -6.649 6.158 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.705 -8.005 6.467 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.448 -6.126 4.949 1.00 0.00 C ATOM 559 CE1 PHE A 36 -2.947 -8.809 5.593 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.709 -6.934 4.066 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.457 -8.279 4.384 1.00 0.00 C ATOM 0 H PHE A 36 -5.810 -4.227 8.678 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.997 -6.846 8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.794 -5.845 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.469 -4.698 6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.101 -8.428 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.633 -5.092 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.741 -9.837 5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.335 -6.520 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.892 -8.902 3.706 1.00 0.00 H new ATOM 571 N TRP A 37 -2.416 -4.804 9.129 1.00 0.00 N ATOM 572 CA TRP A 37 -0.966 -4.721 9.291 1.00 0.00 C ATOM 573 C TRP A 37 -0.504 -5.146 10.683 1.00 0.00 C ATOM 574 O TRP A 37 0.691 -5.375 10.875 1.00 0.00 O ATOM 575 CB TRP A 37 -0.508 -3.281 9.048 1.00 0.00 C ATOM 576 CG TRP A 37 -1.218 -2.528 7.966 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.639 -3.021 6.778 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.605 -1.126 7.983 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.289 -2.027 6.079 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.293 -0.837 6.772 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.425 -0.067 8.895 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.796 0.437 6.490 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.904 1.222 8.610 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.588 1.480 7.407 1.00 0.00 C ATOM 0 H TRP A 37 -2.884 -3.898 9.148 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.525 -5.405 8.566 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.619 -2.726 9.979 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.556 -3.297 8.811 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.489 -4.033 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.715 -2.157 5.161 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.911 -0.249 9.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.340 0.617 5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.746 2.021 9.319 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.951 2.474 7.191 1.00 0.00 H new ATOM 595 N LYS A 38 -1.416 -5.191 11.660 1.00 0.00 N ATOM 596 CA LYS A 38 -1.121 -5.605 13.022 1.00 0.00 C ATOM 597 C LYS A 38 -0.850 -7.105 13.039 1.00 0.00 C ATOM 598 O LYS A 38 -1.301 -7.851 12.167 1.00 0.00 O ATOM 599 CB LYS A 38 -2.322 -5.260 13.915 1.00 0.00 C ATOM 600 CG LYS A 38 -2.578 -3.747 14.011 1.00 0.00 C ATOM 601 CD LYS A 38 -3.894 -3.438 14.746 1.00 0.00 C ATOM 602 CE LYS A 38 -3.722 -2.283 15.733 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.979 -1.945 16.439 1.00 0.00 N ATOM 0 H LYS A 38 -2.393 -4.935 11.517 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.239 -5.086 13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.213 -5.750 13.523 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.152 -5.659 14.915 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.749 -3.270 14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.612 -3.319 13.009 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.668 -3.187 14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.233 -4.327 15.279 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.958 -2.546 16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.362 -1.404 15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.807 -1.157 17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.703 -1.667 15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.311 -2.774 16.973 1.00 0.00 H new ATOM 617 N GLU A 39 -0.149 -7.574 14.062 1.00 0.00 N ATOM 618 CA GLU A 39 0.132 -8.988 14.202 1.00 0.00 C ATOM 619 C GLU A 39 -1.141 -9.724 14.598 1.00 0.00 C ATOM 620 O GLU A 39 -1.930 -9.258 15.429 1.00 0.00 O ATOM 621 CB GLU A 39 1.247 -9.224 15.228 1.00 0.00 C ATOM 622 CG GLU A 39 2.596 -8.842 14.604 1.00 0.00 C ATOM 623 CD GLU A 39 2.775 -7.325 14.421 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.318 -6.532 15.284 1.00 0.00 O ATOM 625 OE2 GLU A 39 3.378 -6.902 13.410 1.00 0.00 O ATOM 0 H GLU A 39 0.234 -6.991 14.806 1.00 0.00 H new ATOM 0 HA GLU A 39 0.480 -9.378 13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.066 -8.629 16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.258 -10.269 15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.400 -9.222 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.692 -9.332 13.635 1.00 0.00 H new ATOM 632 N GLY A 40 -1.311 -10.914 14.034 1.00 0.00 N ATOM 633 CA GLY A 40 -2.427 -11.818 14.293 1.00 0.00 C ATOM 634 C GLY A 40 -3.692 -11.470 13.514 1.00 0.00 C ATOM 635 O GLY A 40 -4.658 -12.237 13.567 1.00 0.00 O ATOM 0 H GLY A 40 -0.649 -11.291 13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.125 -12.835 14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.653 -11.806 15.359 1.00 0.00 H new ATOM 639 N TYR A 41 -3.720 -10.333 12.815 1.00 0.00 N ATOM 640 CA TYR A 41 -4.881 -9.873 12.078 1.00 0.00 C ATOM 641 C TYR A 41 -4.915 -10.553 10.710 1.00 0.00 C ATOM 642 O TYR A 41 -4.277 -10.107 9.752 1.00 0.00 O ATOM 643 CB TYR A 41 -4.852 -8.352 11.993 1.00 0.00 C ATOM 644 CG TYR A 41 -5.658 -7.679 13.084 1.00 0.00 C ATOM 645 CD1 TYR A 41 -5.088 -7.417 14.341 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.990 -7.315 12.832 1.00 0.00 C ATOM 647 CE1 TYR A 41 -5.839 -6.741 15.316 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.762 -6.674 13.811 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.182 -6.381 15.068 1.00 0.00 C ATOM 650 OH TYR A 41 -7.875 -5.710 16.029 1.00 0.00 O ATOM 0 H TYR A 41 -2.921 -9.703 12.749 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.804 -10.146 12.590 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.818 -8.011 12.051 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.237 -8.041 11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.078 -7.734 14.556 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.427 -7.532 11.869 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.385 -6.494 16.264 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.789 -6.407 13.608 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.785 -5.531 15.712 1.00 0.00 H new ATOM 660 N GLU A 42 -5.664 -11.647 10.597 1.00 0.00 N ATOM 661 CA GLU A 42 -5.844 -12.374 9.347 1.00 0.00 C ATOM 662 C GLU A 42 -6.984 -11.729 8.547 1.00 0.00 C ATOM 663 O GLU A 42 -8.008 -12.341 8.233 1.00 0.00 O ATOM 664 CB GLU A 42 -6.029 -13.866 9.639 1.00 0.00 C ATOM 665 CG GLU A 42 -5.836 -14.674 8.351 1.00 0.00 C ATOM 666 CD GLU A 42 -5.868 -16.187 8.562 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.716 -16.653 9.712 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.919 -16.941 7.562 1.00 0.00 O ATOM 0 H GLU A 42 -6.169 -12.057 11.383 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.958 -12.308 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.312 -14.190 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.024 -14.046 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.615 -14.399 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.882 -14.399 7.900 1.00 0.00 H new ATOM 675 N ILE A 43 -6.813 -10.444 8.239 1.00 0.00 N ATOM 676 CA ILE A 43 -7.761 -9.677 7.450 1.00 0.00 C ATOM 677 C ILE A 43 -7.605 -10.089 5.990 1.00 0.00 C ATOM 678 O ILE A 43 -6.822 -9.494 5.248 1.00 0.00 O ATOM 679 CB ILE A 43 -7.598 -8.173 7.685 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.847 -7.818 9.163 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.565 -7.383 6.797 1.00 0.00 C ATOM 682 CD1 ILE A 43 -9.037 -8.483 9.853 1.00 0.00 C ATOM 0 H ILE A 43 -6.000 -9.905 8.537 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.783 -9.895 7.759 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.574 -7.904 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.948 -8.068 9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.977 -6.738 9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.435 -6.316 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.358 -7.602 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.590 -7.669 7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.094 -8.144 10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.956 -8.215 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.911 -9.566 9.833 1.00 0.00 H new ATOM 694 N LYS A 44 -8.337 -11.111 5.554 1.00 0.00 N ATOM 695 CA LYS A 44 -8.296 -11.631 4.198 1.00 0.00 C ATOM 696 C LYS A 44 -9.675 -11.584 3.547 1.00 0.00 C ATOM 697 O LYS A 44 -10.123 -12.551 2.924 1.00 0.00 O ATOM 698 CB LYS A 44 -7.559 -12.961 4.171 1.00 0.00 C ATOM 699 CG LYS A 44 -8.207 -14.084 4.971 1.00 0.00 C ATOM 700 CD LYS A 44 -7.441 -15.403 4.798 1.00 0.00 C ATOM 701 CE LYS A 44 -7.396 -15.874 3.337 1.00 0.00 C ATOM 702 NZ LYS A 44 -8.724 -16.262 2.822 1.00 0.00 N ATOM 0 H LYS A 44 -8.992 -11.611 6.154 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.702 -10.987 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.465 -13.284 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.549 -12.805 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.235 -13.813 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.240 -14.215 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.423 -15.278 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.910 -16.174 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.988 -15.077 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.717 -16.722 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.636 -16.571 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.105 -17.041 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.368 -15.447 2.874 1.00 0.00 H new ATOM 716 N ASN A 45 -10.354 -10.444 3.714 1.00 0.00 N ATOM 717 CA ASN A 45 -11.545 -10.093 2.947 1.00 0.00 C ATOM 718 C ASN A 45 -11.168 -9.739 1.497 1.00 0.00 C ATOM 719 O ASN A 45 -10.199 -10.247 0.942 1.00 0.00 O ATOM 720 CB ASN A 45 -12.412 -9.030 3.667 1.00 0.00 C ATOM 721 CG ASN A 45 -13.805 -8.993 3.035 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.268 -10.002 2.524 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.421 -7.848 2.835 1.00 0.00 N ATOM 0 H ASN A 45 -10.085 -9.733 4.395 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.193 -10.967 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.489 -9.266 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.941 -8.050 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.266 -7.816 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.054 -6.992 3.251 1.00 0.00 H new ATOM 730 N ARG A 46 -11.989 -8.936 0.833 1.00 0.00 N ATOM 731 CA ARG A 46 -11.901 -8.551 -0.566 1.00 0.00 C ATOM 732 C ARG A 46 -11.671 -7.049 -0.604 1.00 0.00 C ATOM 733 O ARG A 46 -10.634 -6.597 -1.084 1.00 0.00 O ATOM 734 CB ARG A 46 -13.193 -8.945 -1.311 1.00 0.00 C ATOM 735 CG ARG A 46 -13.749 -10.325 -0.947 1.00 0.00 C ATOM 736 CD ARG A 46 -15.166 -10.587 -1.448 1.00 0.00 C ATOM 737 NE ARG A 46 -15.686 -9.612 -2.434 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.854 -8.964 -2.342 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.781 -9.398 -1.499 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.082 -7.881 -3.073 1.00 0.00 N ATOM 0 H ARG A 46 -12.792 -8.507 1.293 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.080 -9.065 -1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.957 -8.195 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.000 -8.918 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.086 -11.089 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.734 -10.434 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.196 -11.580 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.838 -10.603 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.106 -9.418 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.602 -10.222 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.673 -8.908 -1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.365 -7.536 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.974 -7.393 -2.997 1.00 0.00 H new ATOM 754 N GLU A 47 -12.596 -6.291 -0.008 1.00 0.00 N ATOM 755 CA GLU A 47 -12.664 -4.831 -0.081 1.00 0.00 C ATOM 756 C GLU A 47 -11.361 -4.194 0.388 1.00 0.00 C ATOM 757 O GLU A 47 -10.918 -3.206 -0.176 1.00 0.00 O ATOM 758 CB GLU A 47 -13.827 -4.310 0.754 1.00 0.00 C ATOM 759 CG GLU A 47 -15.201 -4.849 0.345 1.00 0.00 C ATOM 760 CD GLU A 47 -15.440 -5.080 -1.148 1.00 0.00 C ATOM 761 OE1 GLU A 47 -14.860 -6.032 -1.709 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.265 -4.361 -1.751 1.00 0.00 O ATOM 0 H GLU A 47 -13.344 -6.692 0.558 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.823 -4.557 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.649 -4.564 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.845 -3.222 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.362 -5.794 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.959 -4.154 0.706 1.00 0.00 H new ATOM 769 N THR A 48 -10.716 -4.783 1.388 1.00 0.00 N ATOM 770 CA THR A 48 -9.469 -4.328 1.974 1.00 0.00 C ATOM 771 C THR A 48 -8.309 -4.452 0.973 1.00 0.00 C ATOM 772 O THR A 48 -7.481 -3.548 0.861 1.00 0.00 O ATOM 773 CB THR A 48 -9.232 -5.139 3.266 1.00 0.00 C ATOM 774 OG1 THR A 48 -10.488 -5.400 3.892 1.00 0.00 O ATOM 775 CG2 THR A 48 -8.314 -4.364 4.201 1.00 0.00 C ATOM 0 H THR A 48 -11.069 -5.631 1.831 1.00 0.00 H new ATOM 0 HA THR A 48 -9.525 -3.269 2.225 1.00 0.00 H new ATOM 0 HB THR A 48 -8.752 -6.088 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.379 -5.377 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.150 -4.941 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.359 -4.186 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.775 -3.409 4.455 1.00 0.00 H new ATOM 783 N GLY A 49 -8.281 -5.534 0.189 1.00 0.00 N ATOM 784 CA GLY A 49 -7.353 -5.689 -0.921 1.00 0.00 C ATOM 785 C GLY A 49 -7.734 -4.766 -2.069 1.00 0.00 C ATOM 786 O GLY A 49 -6.854 -4.237 -2.744 1.00 0.00 O ATOM 0 H GLY A 49 -8.908 -6.329 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.339 -5.466 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.356 -6.724 -1.263 1.00 0.00 H new ATOM 790 N CYS A 50 -9.035 -4.532 -2.276 1.00 0.00 N ATOM 791 CA CYS A 50 -9.487 -3.555 -3.249 1.00 0.00 C ATOM 792 C CYS A 50 -9.055 -2.144 -2.859 1.00 0.00 C ATOM 793 O CYS A 50 -8.674 -1.394 -3.746 1.00 0.00 O ATOM 794 CB CYS A 50 -10.988 -3.646 -3.535 1.00 0.00 C ATOM 795 SG CYS A 50 -11.290 -4.123 -5.253 1.00 0.00 S ATOM 0 H CYS A 50 -9.786 -5.010 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.995 -3.799 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.446 -4.374 -2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.460 -2.685 -3.332 1.00 0.00 H new ATOM 800 N ALA A 51 -9.033 -1.781 -1.568 1.00 0.00 N ATOM 801 CA ALA A 51 -8.489 -0.503 -1.121 1.00 0.00 C ATOM 802 C ALA A 51 -7.054 -0.378 -1.619 1.00 0.00 C ATOM 803 O ALA A 51 -6.730 0.644 -2.203 1.00 0.00 O ATOM 804 CB ALA A 51 -8.584 -0.312 0.408 1.00 0.00 C ATOM 0 H ALA A 51 -9.391 -2.366 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.094 0.297 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.164 0.656 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.629 -0.354 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.026 -1.103 0.909 1.00 0.00 H new ATOM 810 N ILE A 52 -6.209 -1.399 -1.461 1.00 0.00 N ATOM 811 CA ILE A 52 -4.838 -1.383 -1.968 1.00 0.00 C ATOM 812 C ILE A 52 -4.871 -1.216 -3.501 1.00 0.00 C ATOM 813 O ILE A 52 -4.341 -0.246 -4.022 1.00 0.00 O ATOM 814 CB ILE A 52 -4.090 -2.635 -1.448 1.00 0.00 C ATOM 815 CG1 ILE A 52 -3.976 -2.533 0.095 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.692 -2.795 -2.078 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.389 -3.749 0.819 1.00 0.00 C ATOM 0 H ILE A 52 -6.458 -2.261 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.268 -0.532 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.660 -3.518 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.363 -1.664 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.970 -2.343 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.213 -3.688 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.789 -2.889 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.085 -1.921 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.361 -3.556 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.010 -4.623 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.377 -3.934 0.458 1.00 0.00 H new ATOM 829 N MET A 53 -5.550 -2.104 -4.222 1.00 0.00 N ATOM 830 CA MET A 53 -5.669 -2.137 -5.687 1.00 0.00 C ATOM 831 C MET A 53 -6.254 -0.843 -6.301 1.00 0.00 C ATOM 832 O MET A 53 -6.116 -0.569 -7.489 1.00 0.00 O ATOM 833 CB MET A 53 -6.572 -3.344 -5.968 1.00 0.00 C ATOM 834 CG MET A 53 -6.801 -3.721 -7.418 1.00 0.00 C ATOM 835 SD MET A 53 -8.555 -3.924 -7.850 1.00 0.00 S ATOM 836 CE MET A 53 -9.275 -2.414 -7.160 1.00 0.00 C ATOM 0 H MET A 53 -6.063 -2.866 -3.779 1.00 0.00 H new ATOM 0 HA MET A 53 -4.685 -2.217 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.147 -4.209 -5.458 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.543 -3.151 -5.513 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.365 -2.954 -8.057 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.273 -4.651 -7.630 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.335 -2.368 -7.412 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.160 -2.418 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.765 -1.545 -7.576 1.00 0.00 H new ATOM 846 N CYS A 54 -6.967 -0.049 -5.512 1.00 0.00 N ATOM 847 CA CYS A 54 -7.550 1.240 -5.864 1.00 0.00 C ATOM 848 C CYS A 54 -6.576 2.360 -5.505 1.00 0.00 C ATOM 849 O CYS A 54 -6.392 3.328 -6.244 1.00 0.00 O ATOM 850 CB CYS A 54 -8.826 1.340 -5.030 1.00 0.00 C ATOM 851 SG CYS A 54 -9.671 2.919 -4.861 1.00 0.00 S ATOM 0 H CYS A 54 -7.167 -0.305 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.761 1.329 -6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.542 0.633 -5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.584 0.993 -4.025 1.00 0.00 H new ATOM 856 N LEU A 55 -5.942 2.247 -4.340 1.00 0.00 N ATOM 857 CA LEU A 55 -4.951 3.192 -3.864 1.00 0.00 C ATOM 858 C LEU A 55 -3.701 3.192 -4.725 1.00 0.00 C ATOM 859 O LEU A 55 -2.995 4.200 -4.739 1.00 0.00 O ATOM 860 CB LEU A 55 -4.588 2.909 -2.404 1.00 0.00 C ATOM 861 CG LEU A 55 -5.674 3.377 -1.422 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.383 2.773 -0.048 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.694 4.902 -1.338 1.00 0.00 C ATOM 0 H LEU A 55 -6.111 1.478 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.398 4.184 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.424 1.839 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.648 3.407 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.652 3.046 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.146 3.096 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.392 1.685 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.404 3.106 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.468 5.218 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.724 5.260 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.904 5.318 -2.323 1.00 0.00 H new ATOM 875 N SER A 56 -3.450 2.127 -5.486 1.00 0.00 N ATOM 876 CA SER A 56 -2.280 2.044 -6.339 1.00 0.00 C ATOM 877 C SER A 56 -2.384 3.023 -7.520 1.00 0.00 C ATOM 878 O SER A 56 -1.418 3.243 -8.244 1.00 0.00 O ATOM 879 CB SER A 56 -2.018 0.575 -6.708 1.00 0.00 C ATOM 880 OG SER A 56 -3.044 0.013 -7.486 1.00 0.00 O ATOM 0 H SER A 56 -4.053 1.305 -5.524 1.00 0.00 H new ATOM 0 HA SER A 56 -1.388 2.376 -5.807 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.077 0.505 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.901 -0.008 -5.794 1.00 0.00 H new ATOM 0 HG SER A 56 -2.825 -0.920 -7.692 1.00 0.00 H new ATOM 886 N THR A 57 -3.513 3.730 -7.664 1.00 0.00 N ATOM 887 CA THR A 57 -3.694 4.816 -8.622 1.00 0.00 C ATOM 888 C THR A 57 -4.217 6.070 -7.891 1.00 0.00 C ATOM 889 O THR A 57 -4.961 6.887 -8.436 1.00 0.00 O ATOM 890 CB THR A 57 -4.491 4.263 -9.820 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.521 5.150 -10.922 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.917 3.852 -9.463 1.00 0.00 C ATOM 0 H THR A 57 -4.344 3.554 -7.100 1.00 0.00 H new ATOM 0 HA THR A 57 -2.769 5.182 -9.068 1.00 0.00 H new ATOM 0 HB THR A 57 -3.943 3.367 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.673 6.064 -10.602 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.420 3.472 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.891 3.073 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.460 4.716 -9.081 1.00 0.00 H new ATOM 900 N LYS A 58 -3.815 6.225 -6.623 1.00 0.00 N ATOM 901 CA LYS A 58 -4.098 7.363 -5.744 1.00 0.00 C ATOM 902 C LYS A 58 -2.810 7.948 -5.167 1.00 0.00 C ATOM 903 O LYS A 58 -2.884 8.669 -4.177 1.00 0.00 O ATOM 904 CB LYS A 58 -5.036 6.920 -4.600 1.00 0.00 C ATOM 905 CG LYS A 58 -6.441 6.528 -5.072 1.00 0.00 C ATOM 906 CD LYS A 58 -7.346 7.734 -5.093 1.00 0.00 C ATOM 907 CE LYS A 58 -8.672 7.303 -5.698 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.627 7.177 -7.169 1.00 0.00 N ATOM 0 H LYS A 58 -3.249 5.516 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.586 8.138 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.587 6.073 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.119 7.730 -3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.387 6.089 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.854 5.767 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.493 8.120 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.900 8.537 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.967 6.346 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.441 8.026 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.509 7.547 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.820 7.719 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.519 6.176 -7.429 1.00 0.00 H new ATOM 922 N LEU A 59 -1.631 7.661 -5.723 1.00 0.00 N ATOM 923 CA LEU A 59 -0.358 8.131 -5.162 1.00 0.00 C ATOM 924 C LEU A 59 -0.375 9.650 -4.990 1.00 0.00 C ATOM 925 O LEU A 59 0.058 10.153 -3.963 1.00 0.00 O ATOM 926 CB LEU A 59 0.835 7.710 -6.040 1.00 0.00 C ATOM 927 CG LEU A 59 0.860 6.228 -6.458 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.977 5.985 -7.474 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.000 5.260 -5.286 1.00 0.00 C ATOM 0 H LEU A 59 -1.529 7.100 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.238 7.665 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.835 8.324 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.756 7.933 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.111 6.024 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.985 4.934 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.807 6.602 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.937 6.246 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.010 4.236 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.931 5.462 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.159 5.390 -4.605 1.00 0.00 H new ATOM 941 N ASN A 60 -0.978 10.373 -5.932 1.00 0.00 N ATOM 942 CA ASN A 60 -1.153 11.824 -5.912 1.00 0.00 C ATOM 943 C ASN A 60 -2.135 12.340 -4.858 1.00 0.00 C ATOM 944 O ASN A 60 -2.216 13.547 -4.636 1.00 0.00 O ATOM 945 CB ASN A 60 -1.656 12.271 -7.286 1.00 0.00 C ATOM 946 CG ASN A 60 -3.093 11.827 -7.559 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.466 10.688 -7.284 1.00 0.00 O ATOM 948 ND2 ASN A 60 -3.912 12.712 -8.091 1.00 0.00 N ATOM 0 H ASN A 60 -1.376 9.944 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.178 12.240 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.596 13.357 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.002 11.866 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.881 12.459 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.577 13.650 -8.310 1.00 0.00 H new ATOM 955 N MET A 61 -2.917 11.466 -4.232 1.00 0.00 N ATOM 956 CA MET A 61 -3.734 11.795 -3.077 1.00 0.00 C ATOM 957 C MET A 61 -2.898 11.620 -1.811 1.00 0.00 C ATOM 958 O MET A 61 -3.002 12.432 -0.888 1.00 0.00 O ATOM 959 CB MET A 61 -4.957 10.871 -3.019 1.00 0.00 C ATOM 960 CG MET A 61 -5.903 11.028 -4.211 1.00 0.00 C ATOM 961 SD MET A 61 -6.796 12.601 -4.306 1.00 0.00 S ATOM 962 CE MET A 61 -7.547 12.661 -2.653 1.00 0.00 C ATOM 0 H MET A 61 -3.000 10.491 -4.522 1.00 0.00 H new ATOM 0 HA MET A 61 -4.076 12.827 -3.155 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.618 9.836 -2.970 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.508 11.070 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.326 10.903 -5.127 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.633 10.219 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.489 13.208 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.734 11.646 -2.301 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.869 13.165 -1.964 1.00 0.00 H new ATOM 972 N LEU A 62 -2.121 10.534 -1.742 1.00 0.00 N ATOM 973 CA LEU A 62 -1.293 10.127 -0.613 1.00 0.00 C ATOM 974 C LEU A 62 -0.110 11.056 -0.417 1.00 0.00 C ATOM 975 O LEU A 62 0.254 11.336 0.725 1.00 0.00 O ATOM 976 CB LEU A 62 -0.766 8.701 -0.878 1.00 0.00 C ATOM 977 CG LEU A 62 -1.858 7.660 -1.142 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.309 6.344 -1.663 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.634 7.380 0.134 1.00 0.00 C ATOM 0 H LEU A 62 -2.053 9.880 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.904 10.163 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.093 8.729 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.175 8.380 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.505 8.086 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.131 5.648 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.782 6.516 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.620 5.922 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.408 6.639 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.955 6.999 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.097 8.301 0.488 1.00 0.00 H new ATOM 991 N ASP A 63 0.473 11.489 -1.526 1.00 0.00 N ATOM 992 CA ASP A 63 1.720 12.240 -1.591 1.00 0.00 C ATOM 993 C ASP A 63 1.432 13.605 -2.230 1.00 0.00 C ATOM 994 O ASP A 63 1.373 13.708 -3.459 1.00 0.00 O ATOM 995 CB ASP A 63 2.782 11.417 -2.340 1.00 0.00 C ATOM 996 CG ASP A 63 4.161 12.058 -2.279 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.294 13.286 -2.464 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.141 11.321 -2.078 1.00 0.00 O ATOM 0 H ASP A 63 0.071 11.319 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 63 2.128 12.426 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.830 10.416 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.482 11.304 -3.382 1.00 0.00 H new ATOM 1003 N PRO A 64 1.137 14.650 -1.435 1.00 0.00 N ATOM 1004 CA PRO A 64 0.779 15.968 -1.946 1.00 0.00 C ATOM 1005 C PRO A 64 1.960 16.708 -2.562 1.00 0.00 C ATOM 1006 O PRO A 64 1.737 17.483 -3.495 1.00 0.00 O ATOM 1007 CB PRO A 64 0.237 16.751 -0.748 1.00 0.00 C ATOM 1008 CG PRO A 64 0.936 16.091 0.433 1.00 0.00 C ATOM 1009 CD PRO A 64 0.968 14.629 0.007 1.00 0.00 C ATOM 0 HA PRO A 64 0.047 15.865 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.476 17.812 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.847 16.673 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.937 16.492 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.386 16.233 1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.787 14.097 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.047 14.118 0.287 1.00 0.00 H new ATOM 1017 N GLU A 65 3.184 16.491 -2.071 1.00 0.00 N ATOM 1018 CA GLU A 65 4.386 17.012 -2.720 1.00 0.00 C ATOM 1019 C GLU A 65 4.480 16.461 -4.149 1.00 0.00 C ATOM 1020 O GLU A 65 5.016 17.135 -5.029 1.00 0.00 O ATOM 1021 CB GLU A 65 5.672 16.659 -1.947 1.00 0.00 C ATOM 1022 CG GLU A 65 5.774 17.302 -0.555 1.00 0.00 C ATOM 1023 CD GLU A 65 7.110 16.988 0.138 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.557 15.818 0.085 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.719 17.888 0.772 1.00 0.00 O ATOM 0 H GLU A 65 3.366 15.955 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 65 4.302 18.099 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.730 15.576 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.533 16.967 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.661 18.382 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.953 16.947 0.067 1.00 0.00 H new ATOM 1032 N GLY A 66 3.939 15.267 -4.407 1.00 0.00 N ATOM 1033 CA GLY A 66 4.163 14.552 -5.640 1.00 0.00 C ATOM 1034 C GLY A 66 5.631 14.172 -5.711 1.00 0.00 C ATOM 1035 O GLY A 66 6.347 14.631 -6.599 1.00 0.00 O ATOM 0 H GLY A 66 3.330 14.776 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.538 13.660 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.890 15.172 -6.494 1.00 0.00 H new ATOM 1039 N ASN A 67 6.070 13.367 -4.745 1.00 0.00 N ATOM 1040 CA ASN A 67 7.324 12.622 -4.791 1.00 0.00 C ATOM 1041 C ASN A 67 7.051 11.224 -5.309 1.00 0.00 C ATOM 1042 O ASN A 67 7.714 10.762 -6.237 1.00 0.00 O ATOM 1043 CB ASN A 67 7.953 12.541 -3.381 1.00 0.00 C ATOM 1044 CG ASN A 67 9.020 13.598 -3.223 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.192 13.342 -3.473 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.640 14.801 -2.835 1.00 0.00 N ATOM 0 H ASN A 67 5.546 13.211 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 67 8.021 13.134 -5.454 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.182 12.677 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.384 11.552 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.329 15.546 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.657 14.985 -2.634 1.00 0.00 H new ATOM 1053 N LEU A 68 6.101 10.542 -4.670 1.00 0.00 N ATOM 1054 CA LEU A 68 5.685 9.198 -5.009 1.00 0.00 C ATOM 1055 C LEU A 68 4.939 9.190 -6.342 1.00 0.00 C ATOM 1056 O LEU A 68 3.918 9.873 -6.492 1.00 0.00 O ATOM 1057 CB LEU A 68 4.787 8.665 -3.883 1.00 0.00 C ATOM 1058 CG LEU A 68 4.452 7.176 -4.047 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.701 6.305 -4.163 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.640 6.714 -2.840 1.00 0.00 C ATOM 0 H LEU A 68 5.589 10.930 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 68 6.560 8.556 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.283 8.818 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.862 9.241 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 68 3.885 7.067 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.408 5.261 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.282 6.616 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.306 6.415 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.397 5.657 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.223 6.862 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.719 7.293 -2.778 1.00 0.00 H new ATOM 1072 N HIS A 69 5.420 8.383 -7.286 1.00 0.00 N ATOM 1073 CA HIS A 69 4.857 8.212 -8.615 1.00 0.00 C ATOM 1074 C HIS A 69 4.884 6.732 -8.995 1.00 0.00 C ATOM 1075 O HIS A 69 5.545 5.910 -8.362 1.00 0.00 O ATOM 1076 CB HIS A 69 5.681 9.042 -9.603 1.00 0.00 C ATOM 1077 CG HIS A 69 5.553 10.537 -9.429 1.00 0.00 C ATOM 1078 ND1 HIS A 69 4.386 11.236 -9.199 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.588 11.434 -9.383 1.00 0.00 C ATOM 1080 CE1 HIS A 69 4.711 12.525 -9.027 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.032 12.696 -9.165 1.00 0.00 N ATOM 0 H HIS A 69 6.249 7.808 -7.134 1.00 0.00 H new ATOM 0 HA HIS A 69 3.821 8.551 -8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.731 8.766 -9.502 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.379 8.780 -10.617 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.638 11.207 -9.495 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.007 13.314 -8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.537 13.581 -9.119 1.00 0.00 H new ATOM 1089 N HIS A 70 4.142 6.403 -10.046 1.00 0.00 N ATOM 1090 CA HIS A 70 3.924 5.039 -10.518 1.00 0.00 C ATOM 1091 C HIS A 70 5.200 4.598 -11.220 1.00 0.00 C ATOM 1092 O HIS A 70 5.583 5.211 -12.220 1.00 0.00 O ATOM 1093 CB HIS A 70 2.690 5.011 -11.436 1.00 0.00 C ATOM 1094 CG HIS A 70 2.387 3.751 -12.220 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.403 3.662 -13.178 1.00 0.00 N ATOM 1096 CD2 HIS A 70 3.010 2.532 -12.174 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.443 2.431 -13.710 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.424 1.710 -13.143 1.00 0.00 N ATOM 0 H HIS A 70 3.659 7.101 -10.612 1.00 0.00 H new ATOM 0 HA HIS A 70 3.718 4.345 -9.703 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.818 5.234 -10.822 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.793 5.827 -12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.813 2.254 -11.507 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.781 2.071 -14.484 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.689 0.752 -13.373 1.00 0.00 H new ATOM 1106 N GLY A 71 5.841 3.555 -10.695 1.00 0.00 N ATOM 1107 CA GLY A 71 7.107 3.029 -11.183 1.00 0.00 C ATOM 1108 C GLY A 71 8.287 3.930 -10.819 1.00 0.00 C ATOM 1109 O GLY A 71 9.366 3.792 -11.400 1.00 0.00 O ATOM 0 H GLY A 71 5.479 3.039 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.270 2.035 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.058 2.917 -12.266 1.00 0.00 H new ATOM 1113 N ASN A 72 8.080 4.897 -9.918 1.00 0.00 N ATOM 1114 CA ASN A 72 9.049 5.934 -9.614 1.00 0.00 C ATOM 1115 C ASN A 72 8.854 6.374 -8.163 1.00 0.00 C ATOM 1116 O ASN A 72 8.215 7.387 -7.880 1.00 0.00 O ATOM 1117 CB ASN A 72 8.871 7.091 -10.604 1.00 0.00 C ATOM 1118 CG ASN A 72 9.946 8.161 -10.463 1.00 0.00 C ATOM 1119 OD1 ASN A 72 10.885 8.053 -9.675 1.00 0.00 O ATOM 1120 ND2 ASN A 72 9.845 9.193 -11.280 1.00 0.00 N ATOM 0 H ASN A 72 7.219 4.975 -9.376 1.00 0.00 H new ATOM 0 HA ASN A 72 10.070 5.567 -9.719 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.887 6.699 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.892 7.545 -10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.555 9.925 -11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.057 9.259 -11.924 1.00 0.00 H new ATOM 1127 N ALA A 73 9.365 5.578 -7.222 1.00 0.00 N ATOM 1128 CA ALA A 73 9.247 5.810 -5.788 1.00 0.00 C ATOM 1129 C ALA A 73 10.623 5.896 -5.122 1.00 0.00 C ATOM 1130 O ALA A 73 10.702 5.973 -3.899 1.00 0.00 O ATOM 1131 CB ALA A 73 8.374 4.710 -5.164 1.00 0.00 C ATOM 0 H ALA A 73 9.887 4.731 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 73 8.763 6.772 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.284 4.881 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.384 4.730 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.834 3.737 -5.339 1.00 0.00 H new ATOM 1137 N MET A 74 11.713 5.936 -5.896 1.00 0.00 N ATOM 1138 CA MET A 74 13.084 5.769 -5.419 1.00 0.00 C ATOM 1139 C MET A 74 13.457 6.921 -4.489 1.00 0.00 C ATOM 1140 O MET A 74 14.208 6.750 -3.530 1.00 0.00 O ATOM 1141 CB MET A 74 14.044 5.751 -6.626 1.00 0.00 C ATOM 1142 CG MET A 74 14.088 4.408 -7.362 1.00 0.00 C ATOM 1143 SD MET A 74 14.781 3.053 -6.378 1.00 0.00 S ATOM 1144 CE MET A 74 15.377 1.938 -7.674 1.00 0.00 C ATOM 0 H MET A 74 11.660 6.091 -6.903 1.00 0.00 H new ATOM 0 HA MET A 74 13.162 4.830 -4.871 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.745 6.530 -7.328 1.00 0.00 H new ATOM 0 HB3 MET A 74 15.048 6.000 -6.283 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.077 4.140 -7.670 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.678 4.522 -8.271 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.829 1.058 -7.217 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.541 1.631 -8.303 1.00 0.00 H new ATOM 0 HE3 MET A 74 16.120 2.453 -8.283 1.00 0.00 H new ATOM 1154 N GLU A 75 12.939 8.110 -4.781 1.00 0.00 N ATOM 1155 CA GLU A 75 13.201 9.293 -3.982 1.00 0.00 C ATOM 1156 C GLU A 75 12.324 9.323 -2.731 1.00 0.00 C ATOM 1157 O GLU A 75 12.813 9.720 -1.671 1.00 0.00 O ATOM 1158 CB GLU A 75 13.007 10.535 -4.844 1.00 0.00 C ATOM 1159 CG GLU A 75 14.155 10.720 -5.852 1.00 0.00 C ATOM 1160 CD GLU A 75 15.473 11.253 -5.264 1.00 0.00 C ATOM 1161 OE1 GLU A 75 16.238 10.473 -4.649 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.799 12.432 -5.521 1.00 0.00 O ATOM 0 H GLU A 75 12.326 8.276 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 75 14.234 9.270 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.061 10.460 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.941 11.415 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.353 9.761 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.823 11.404 -6.633 1.00 0.00 H new ATOM 1169 N PHE A 76 11.065 8.865 -2.827 1.00 0.00 N ATOM 1170 CA PHE A 76 10.207 8.707 -1.660 1.00 0.00 C ATOM 1171 C PHE A 76 10.859 7.699 -0.717 1.00 0.00 C ATOM 1172 O PHE A 76 11.105 8.041 0.425 1.00 0.00 O ATOM 1173 CB PHE A 76 8.780 8.307 -2.073 1.00 0.00 C ATOM 1174 CG PHE A 76 7.951 7.672 -0.967 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.438 8.435 0.103 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.714 6.285 -0.997 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.679 7.815 1.122 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.957 5.664 0.013 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.444 6.433 1.075 1.00 0.00 C ATOM 0 H PHE A 76 10.625 8.599 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 76 10.104 9.655 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.259 9.194 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.841 7.610 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.626 9.498 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.118 5.691 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.281 8.404 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.770 4.601 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.868 5.958 1.855 1.00 0.00 H new ATOM 1189 N ALA A 77 11.216 6.494 -1.160 1.00 0.00 N ATOM 1190 CA ALA A 77 11.885 5.504 -0.317 1.00 0.00 C ATOM 1191 C ALA A 77 13.121 6.094 0.383 1.00 0.00 C ATOM 1192 O ALA A 77 13.284 5.950 1.601 1.00 0.00 O ATOM 1193 CB ALA A 77 12.234 4.290 -1.182 1.00 0.00 C ATOM 0 H ALA A 77 11.049 6.176 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 77 11.215 5.192 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.734 3.539 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.321 3.867 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.896 4.598 -1.992 1.00 0.00 H new ATOM 1199 N LYS A 78 13.941 6.859 -0.346 1.00 0.00 N ATOM 1200 CA LYS A 78 15.076 7.579 0.223 1.00 0.00 C ATOM 1201 C LYS A 78 14.692 8.595 1.294 1.00 0.00 C ATOM 1202 O LYS A 78 15.523 8.850 2.170 1.00 0.00 O ATOM 1203 CB LYS A 78 15.871 8.262 -0.894 1.00 0.00 C ATOM 1204 CG LYS A 78 17.009 7.359 -1.361 1.00 0.00 C ATOM 1205 CD LYS A 78 17.760 8.029 -2.510 1.00 0.00 C ATOM 1206 CE LYS A 78 19.041 7.244 -2.781 1.00 0.00 C ATOM 1207 NZ LYS A 78 19.724 7.741 -3.988 1.00 0.00 N ATOM 0 H LYS A 78 13.832 6.994 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 78 15.691 6.833 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.212 8.491 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.273 9.210 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.691 7.161 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.613 6.397 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.137 8.056 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.997 9.062 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.708 7.324 -1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.804 6.187 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.591 7.190 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.094 7.642 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.970 8.743 -3.860 1.00 0.00 H new ATOM 1221 N LYS A 79 13.490 9.176 1.287 1.00 0.00 N ATOM 1222 CA LYS A 79 13.016 10.030 2.381 1.00 0.00 C ATOM 1223 C LYS A 79 12.967 9.277 3.704 1.00 0.00 C ATOM 1224 O LYS A 79 13.084 9.896 4.765 1.00 0.00 O ATOM 1225 CB LYS A 79 11.645 10.637 2.078 1.00 0.00 C ATOM 1226 CG LYS A 79 11.734 11.646 0.928 1.00 0.00 C ATOM 1227 CD LYS A 79 10.631 12.695 0.995 1.00 0.00 C ATOM 1228 CE LYS A 79 10.825 13.690 -0.152 1.00 0.00 C ATOM 1229 NZ LYS A 79 10.163 14.984 0.098 1.00 0.00 N ATOM 0 H LYS A 79 12.819 9.069 0.526 1.00 0.00 H new ATOM 0 HA LYS A 79 13.738 10.841 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.942 9.845 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.256 11.129 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.705 12.140 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.672 11.117 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.653 12.219 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.661 13.213 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.891 13.856 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.433 13.258 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.539 15.699 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.138 14.884 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.344 15.283 1.077 1.00 0.00 H new ATOM 1243 N HIS A 80 12.851 7.951 3.675 1.00 0.00 N ATOM 1244 CA HIS A 80 12.770 7.122 4.865 1.00 0.00 C ATOM 1245 C HIS A 80 14.034 6.258 4.981 1.00 0.00 C ATOM 1246 O HIS A 80 14.082 5.301 5.745 1.00 0.00 O ATOM 1247 CB HIS A 80 11.445 6.361 4.806 1.00 0.00 C ATOM 1248 CG HIS A 80 10.305 7.251 4.353 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.688 8.248 5.076 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.900 7.394 3.056 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.907 8.940 4.225 1.00 0.00 C ATOM 1252 NE2 HIS A 80 9.028 8.474 2.984 1.00 0.00 N ATOM 0 H HIS A 80 12.810 7.418 2.806 1.00 0.00 H new ATOM 0 HA HIS A 80 12.755 7.700 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.541 5.517 4.123 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.217 5.951 5.790 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.206 6.773 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.268 9.763 4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.572 8.837 2.147 1.00 0.00 H new ATOM 1260 N GLY A 81 15.078 6.615 4.220 1.00 0.00 N ATOM 1261 CA GLY A 81 16.405 6.036 4.273 1.00 0.00 C ATOM 1262 C GLY A 81 16.523 4.665 3.624 1.00 0.00 C ATOM 1263 O GLY A 81 17.614 4.086 3.657 1.00 0.00 O ATOM 0 H GLY A 81 15.004 7.353 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.104 6.716 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.712 5.958 5.316 1.00 0.00 H new ATOM 1267 N ALA A 82 15.456 4.169 3.003 1.00 0.00 N ATOM 1268 CA ALA A 82 15.511 2.987 2.162 1.00 0.00 C ATOM 1269 C ALA A 82 16.232 3.409 0.884 1.00 0.00 C ATOM 1270 O ALA A 82 15.773 4.309 0.184 1.00 0.00 O ATOM 1271 CB ALA A 82 14.096 2.457 1.899 1.00 0.00 C ATOM 0 H ALA A 82 14.526 4.582 3.073 1.00 0.00 H new ATOM 0 HA ALA A 82 16.049 2.166 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.151 1.571 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.622 2.199 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.507 3.225 1.397 1.00 0.00 H new ATOM 1277 N ASP A 83 17.405 2.833 0.624 1.00 0.00 N ATOM 1278 CA ASP A 83 18.194 3.136 -0.560 1.00 0.00 C ATOM 1279 C ASP A 83 17.574 2.462 -1.785 1.00 0.00 C ATOM 1280 O ASP A 83 16.505 1.851 -1.722 1.00 0.00 O ATOM 1281 CB ASP A 83 19.646 2.672 -0.399 1.00 0.00 C ATOM 1282 CG ASP A 83 19.790 1.269 0.149 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.687 0.310 -0.646 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.011 1.125 1.374 1.00 0.00 O ATOM 0 H ASP A 83 17.834 2.139 1.236 1.00 0.00 H new ATOM 0 HA ASP A 83 18.195 4.218 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.142 2.725 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.166 3.364 0.263 1.00 0.00 H new ATOM 1289 N GLU A 84 18.240 2.599 -2.930 1.00 0.00 N ATOM 1290 CA GLU A 84 17.819 2.047 -4.201 1.00 0.00 C ATOM 1291 C GLU A 84 17.710 0.530 -4.077 1.00 0.00 C ATOM 1292 O GLU A 84 16.700 -0.026 -4.496 1.00 0.00 O ATOM 1293 CB GLU A 84 18.785 2.550 -5.290 1.00 0.00 C ATOM 1294 CG GLU A 84 19.111 1.506 -6.357 1.00 0.00 C ATOM 1295 CD GLU A 84 20.006 2.030 -7.480 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.797 2.964 -7.215 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.997 1.438 -8.588 1.00 0.00 O ATOM 0 H GLU A 84 19.117 3.116 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 84 16.825 2.383 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.349 3.425 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.712 2.875 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.600 0.655 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.180 1.138 -6.789 1.00 0.00 H new ATOM 1304 N THR A 85 18.708 -0.131 -3.480 1.00 0.00 N ATOM 1305 CA THR A 85 18.698 -1.579 -3.369 1.00 0.00 C ATOM 1306 C THR A 85 17.545 -2.018 -2.473 1.00 0.00 C ATOM 1307 O THR A 85 16.878 -2.998 -2.791 1.00 0.00 O ATOM 1308 CB THR A 85 20.051 -2.085 -2.853 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.060 -1.777 -3.792 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.043 -3.599 -2.671 1.00 0.00 C ATOM 0 H THR A 85 19.526 0.319 -3.070 1.00 0.00 H new ATOM 0 HA THR A 85 18.544 -2.020 -4.354 1.00 0.00 H new ATOM 0 HB THR A 85 20.239 -1.601 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.924 -2.099 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.016 -3.927 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.272 -3.875 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.835 -4.079 -3.627 1.00 0.00 H new ATOM 1318 N MET A 86 17.280 -1.319 -1.370 1.00 0.00 N ATOM 1319 CA MET A 86 16.164 -1.604 -0.504 1.00 0.00 C ATOM 1320 C MET A 86 14.839 -1.510 -1.234 1.00 0.00 C ATOM 1321 O MET A 86 14.004 -2.386 -1.044 1.00 0.00 O ATOM 1322 CB MET A 86 16.217 -0.604 0.654 1.00 0.00 C ATOM 1323 CG MET A 86 17.345 -0.940 1.613 1.00 0.00 C ATOM 1324 SD MET A 86 17.100 -0.223 3.257 1.00 0.00 S ATOM 1325 CE MET A 86 18.438 -1.033 4.149 1.00 0.00 C ATOM 0 H MET A 86 17.849 -0.531 -1.059 1.00 0.00 H new ATOM 0 HA MET A 86 16.237 -2.628 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.356 0.404 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.267 -0.610 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.430 -2.023 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.287 -0.579 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.435 -0.703 5.188 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.299 -2.113 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.391 -0.773 3.689 1.00 0.00 H new ATOM 1335 N ALA A 87 14.655 -0.499 -2.077 1.00 0.00 N ATOM 1336 CA ALA A 87 13.466 -0.446 -2.915 1.00 0.00 C ATOM 1337 C ALA A 87 13.434 -1.663 -3.832 1.00 0.00 C ATOM 1338 O ALA A 87 12.455 -2.398 -3.852 1.00 0.00 O ATOM 1339 CB ALA A 87 13.429 0.857 -3.710 1.00 0.00 C ATOM 0 H ALA A 87 15.302 0.281 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 87 12.577 -0.467 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.533 0.879 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.415 1.703 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.312 0.921 -4.345 1.00 0.00 H new ATOM 1345 N GLN A 88 14.519 -1.919 -4.561 1.00 0.00 N ATOM 1346 CA GLN A 88 14.622 -2.965 -5.554 1.00 0.00 C ATOM 1347 C GLN A 88 14.271 -4.327 -4.987 1.00 0.00 C ATOM 1348 O GLN A 88 13.520 -5.077 -5.596 1.00 0.00 O ATOM 1349 CB GLN A 88 16.066 -2.966 -6.046 1.00 0.00 C ATOM 1350 CG GLN A 88 16.162 -2.903 -7.549 1.00 0.00 C ATOM 1351 CD GLN A 88 15.539 -4.093 -8.273 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.218 -5.079 -8.535 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.283 -4.025 -8.689 1.00 0.00 N ATOM 0 H GLN A 88 15.378 -1.378 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 88 13.917 -2.773 -6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.594 -2.115 -5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.567 -3.866 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.677 -1.990 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.213 -2.832 -7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.717 -3.205 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.882 -4.793 -9.227 1.00 0.00 H new ATOM 1362 N GLN A 89 14.822 -4.608 -3.817 1.00 0.00 N ATOM 1363 CA GLN A 89 14.501 -5.774 -3.001 1.00 0.00 C ATOM 1364 C GLN A 89 12.987 -5.928 -2.838 1.00 0.00 C ATOM 1365 O GLN A 89 12.447 -7.003 -3.096 1.00 0.00 O ATOM 1366 CB GLN A 89 15.188 -5.649 -1.633 1.00 0.00 C ATOM 1367 CG GLN A 89 16.657 -6.092 -1.677 1.00 0.00 C ATOM 1368 CD GLN A 89 16.833 -7.610 -1.591 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.888 -8.392 -1.620 1.00 0.00 O ATOM 1370 NE2 GLN A 89 18.057 -8.071 -1.397 1.00 0.00 N ATOM 0 H GLN A 89 15.531 -4.010 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 89 14.870 -6.668 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.133 -4.614 -1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.650 -6.253 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.111 -5.732 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.196 -5.623 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.847 -7.426 -1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.211 -9.072 -1.273 1.00 0.00 H new ATOM 1379 N LEU A 90 12.291 -4.876 -2.401 1.00 0.00 N ATOM 1380 CA LEU A 90 10.843 -4.922 -2.212 1.00 0.00 C ATOM 1381 C LEU A 90 10.100 -5.073 -3.539 1.00 0.00 C ATOM 1382 O LEU A 90 9.046 -5.695 -3.574 1.00 0.00 O ATOM 1383 CB LEU A 90 10.364 -3.644 -1.513 1.00 0.00 C ATOM 1384 CG LEU A 90 10.909 -3.391 -0.093 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.420 -2.012 0.372 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.579 -4.476 0.948 1.00 0.00 C ATOM 0 H LEU A 90 12.713 -3.976 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 90 10.624 -5.794 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.632 -2.792 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.276 -3.671 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 90 11.996 -3.427 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.795 -1.813 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.787 -1.246 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.330 -1.997 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.009 -4.199 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.497 -4.569 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.997 -5.429 0.625 1.00 0.00 H new ATOM 1398 N ILE A 91 10.639 -4.531 -4.620 1.00 0.00 N ATOM 1399 CA ILE A 91 10.015 -4.549 -5.937 1.00 0.00 C ATOM 1400 C ILE A 91 10.155 -5.953 -6.554 1.00 0.00 C ATOM 1401 O ILE A 91 9.223 -6.461 -7.179 1.00 0.00 O ATOM 1402 CB ILE A 91 10.651 -3.407 -6.754 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.268 -2.049 -6.126 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.199 -3.422 -8.217 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.241 -0.927 -6.446 1.00 0.00 C ATOM 0 H ILE A 91 11.542 -4.056 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 91 8.941 -4.366 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 91 11.731 -3.552 -6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.275 -1.766 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.205 -2.165 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.673 -2.599 -8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.486 -4.368 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.116 -3.310 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.904 -0.006 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.232 -1.187 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.287 -0.782 -7.525 1.00 0.00 H new ATOM 1417 N ASP A 92 11.286 -6.632 -6.331 1.00 0.00 N ATOM 1418 CA ASP A 92 11.487 -8.041 -6.695 1.00 0.00 C ATOM 1419 C ASP A 92 10.433 -8.904 -6.018 1.00 0.00 C ATOM 1420 O ASP A 92 9.872 -9.822 -6.614 1.00 0.00 O ATOM 1421 CB ASP A 92 12.868 -8.526 -6.233 1.00 0.00 C ATOM 1422 CG ASP A 92 13.492 -9.582 -7.150 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.829 -10.513 -7.654 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.728 -9.557 -7.345 1.00 0.00 O ATOM 0 H ASP A 92 12.101 -6.212 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 92 11.411 -8.124 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.540 -7.671 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.780 -8.938 -5.228 1.00 0.00 H new ATOM 1429 N ILE A 93 10.160 -8.593 -4.752 1.00 0.00 N ATOM 1430 CA ILE A 93 9.076 -9.168 -3.982 1.00 0.00 C ATOM 1431 C ILE A 93 7.709 -8.836 -4.601 1.00 0.00 C ATOM 1432 O ILE A 93 6.919 -9.765 -4.737 1.00 0.00 O ATOM 1433 CB ILE A 93 9.230 -8.758 -2.502 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.534 -9.373 -1.953 1.00 0.00 C ATOM 1435 CG2 ILE A 93 7.999 -9.162 -1.683 1.00 0.00 C ATOM 1436 CD1 ILE A 93 10.969 -8.841 -0.586 1.00 0.00 C ATOM 0 H ILE A 93 10.708 -7.913 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 93 9.127 -10.256 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 93 9.297 -7.673 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.408 -10.453 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.335 -9.191 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.137 -8.860 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.115 -8.671 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.868 -10.243 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.894 -9.331 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.132 -7.765 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.191 -9.047 0.149 1.00 0.00 H new ATOM 1448 N VAL A 94 7.378 -7.595 -4.981 1.00 0.00 N ATOM 1449 CA VAL A 94 6.083 -7.284 -5.612 1.00 0.00 C ATOM 1450 C VAL A 94 5.894 -8.153 -6.854 1.00 0.00 C ATOM 1451 O VAL A 94 4.937 -8.934 -6.915 1.00 0.00 O ATOM 1452 CB VAL A 94 5.908 -5.765 -5.851 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.707 -5.359 -6.739 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.730 -5.083 -4.484 1.00 0.00 C ATOM 0 H VAL A 94 7.989 -6.787 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 94 5.272 -7.539 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 94 6.801 -5.449 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.680 -4.274 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.813 -5.813 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.781 -5.704 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.605 -4.010 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.849 -5.489 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.610 -5.267 -3.868 1.00 0.00 H new ATOM 1464 N HIS A 95 6.847 -8.105 -7.782 1.00 0.00 N ATOM 1465 CA HIS A 95 6.772 -8.823 -9.047 1.00 0.00 C ATOM 1466 C HIS A 95 7.004 -10.328 -8.856 1.00 0.00 C ATOM 1467 O HIS A 95 6.787 -11.117 -9.775 1.00 0.00 O ATOM 1468 CB HIS A 95 7.807 -8.219 -9.997 1.00 0.00 C ATOM 1469 CG HIS A 95 7.698 -6.722 -10.181 1.00 0.00 C ATOM 1470 ND1 HIS A 95 6.581 -5.939 -10.008 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.752 -5.885 -10.468 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 6.957 -4.611 -10.221 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.283 -4.629 -10.413 1.00 0.00 N flip ATOM 0 H HIS A 95 7.702 -7.559 -7.673 1.00 0.00 H new ATOM 0 HA HIS A 95 5.773 -8.718 -9.469 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.804 -8.454 -9.623 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.710 -8.699 -10.971 1.00 0.00 H new ATOM 0 HD1 HIS A 95 5.646 -6.269 -9.767 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.765 -6.183 -10.695 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.311 -3.746 -10.229 1.00 0.00 H new ATOM 1481 N GLY A 96 7.451 -10.723 -7.666 1.00 0.00 N ATOM 1482 CA GLY A 96 7.648 -12.083 -7.196 1.00 0.00 C ATOM 1483 C GLY A 96 6.402 -12.674 -6.545 1.00 0.00 C ATOM 1484 O GLY A 96 6.240 -13.894 -6.487 1.00 0.00 O ATOM 0 H GLY A 96 7.704 -10.041 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.946 -12.712 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.468 -12.099 -6.478 1.00 0.00 H new ATOM 1488 N CYS A 97 5.502 -11.826 -6.060 1.00 0.00 N ATOM 1489 CA CYS A 97 4.350 -12.206 -5.253 1.00 0.00 C ATOM 1490 C CYS A 97 3.095 -12.301 -6.102 1.00 0.00 C ATOM 1491 O CYS A 97 2.185 -13.061 -5.764 1.00 0.00 O ATOM 1492 CB CYS A 97 4.153 -11.180 -4.145 1.00 0.00 C ATOM 1493 SG CYS A 97 5.229 -11.435 -2.709 1.00 0.00 S ATOM 0 H CYS A 97 5.557 -10.821 -6.224 1.00 0.00 H new ATOM 0 HA CYS A 97 4.536 -13.188 -4.819 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.333 -10.184 -4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.114 -11.208 -3.818 1.00 0.00 H new ATOM 1498 N GLU A 98 3.074 -11.622 -7.248 1.00 0.00 N ATOM 1499 CA GLU A 98 2.106 -11.883 -8.302 1.00 0.00 C ATOM 1500 C GLU A 98 2.226 -13.324 -8.835 1.00 0.00 C ATOM 1501 O GLU A 98 1.370 -13.783 -9.596 1.00 0.00 O ATOM 1502 CB GLU A 98 2.355 -10.943 -9.475 1.00 0.00 C ATOM 1503 CG GLU A 98 2.118 -9.470 -9.175 1.00 0.00 C ATOM 1504 CD GLU A 98 2.415 -8.672 -10.448 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.634 -8.792 -11.431 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.504 -8.076 -10.539 1.00 0.00 O ATOM 0 H GLU A 98 3.732 -10.874 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 98 1.115 -11.731 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.384 -11.070 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.710 -11.239 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.089 -9.307 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.761 -9.139 -8.360 1.00 0.00 H new ATOM 1513 N LYS A 99 3.324 -14.022 -8.515 1.00 0.00 N ATOM 1514 CA LYS A 99 3.672 -15.321 -9.076 1.00 0.00 C ATOM 1515 C LYS A 99 3.049 -16.432 -8.243 1.00 0.00 C ATOM 1516 O LYS A 99 2.314 -17.268 -8.775 1.00 0.00 O ATOM 1517 CB LYS A 99 5.183 -15.491 -9.226 1.00 0.00 C ATOM 1518 CG LYS A 99 5.880 -14.271 -9.817 1.00 0.00 C ATOM 1519 CD LYS A 99 5.392 -13.834 -11.195 1.00 0.00 C ATOM 1520 CE LYS A 99 5.824 -14.788 -12.306 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.809 -14.108 -13.616 1.00 0.00 N ATOM 0 H LYS A 99 4.009 -13.683 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 99 3.260 -15.382 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.614 -15.707 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.382 -16.355 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.758 -13.436 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.948 -14.480 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.304 -13.764 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.773 -12.836 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.825 -15.165 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.157 -15.650 -12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.106 -14.775 -14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.847 -13.769 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.463 -13.300 -13.595 1.00 0.00 H new ATOM 1535 N SER A 100 3.346 -16.451 -6.945 1.00 0.00 N ATOM 1536 CA SER A 100 2.781 -17.399 -5.993 1.00 0.00 C ATOM 1537 C SER A 100 1.263 -17.235 -5.902 1.00 0.00 C ATOM 1538 O SER A 100 0.527 -18.227 -5.866 1.00 0.00 O ATOM 1539 CB SER A 100 3.458 -17.187 -4.639 1.00 0.00 C ATOM 1540 OG SER A 100 3.547 -15.807 -4.327 1.00 0.00 O ATOM 0 H SER A 100 4.000 -15.794 -6.519 1.00 0.00 H new ATOM 0 HA SER A 100 2.965 -18.420 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.895 -17.704 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.456 -17.625 -4.655 1.00 0.00 H new ATOM 0 HG SER A 100 3.833 -15.700 -3.396 1.00 0.00 H new ATOM 1546 N THR A 101 0.794 -15.987 -5.886 1.00 0.00 N ATOM 1547 CA THR A 101 -0.620 -15.660 -5.869 1.00 0.00 C ATOM 1548 C THR A 101 -1.242 -16.097 -7.206 1.00 0.00 C ATOM 1549 O THR A 101 -0.836 -15.592 -8.253 1.00 0.00 O ATOM 1550 CB THR A 101 -0.801 -14.160 -5.608 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.041 -13.775 -4.471 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.257 -13.827 -5.319 1.00 0.00 C ATOM 0 H THR A 101 1.400 -15.167 -5.885 1.00 0.00 H new ATOM 0 HA THR A 101 -1.131 -16.190 -5.065 1.00 0.00 H new ATOM 0 HB THR A 101 -0.470 -13.629 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.747 -13.270 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.356 -12.757 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.871 -14.109 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.588 -14.377 -4.438 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.208 -17.031 -7.221 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.875 -17.429 -8.445 1.00 0.00 C ATOM 1562 C PRO A 102 -3.809 -16.303 -8.886 1.00 0.00 C ATOM 1563 O PRO A 102 -4.502 -15.716 -8.046 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.647 -18.698 -8.087 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.983 -18.517 -6.608 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.830 -17.665 -6.073 1.00 0.00 C ATOM 0 HA PRO A 102 -2.189 -17.618 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.548 -18.802 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.046 -19.592 -8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.944 -18.020 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.045 -19.475 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.196 -16.917 -5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.110 -18.282 -5.536 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.836 -16.045 -10.198 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.734 -15.149 -10.903 1.00 0.00 C ATOM 1576 C ALA A 103 -6.164 -15.499 -10.526 1.00 0.00 C ATOM 1577 O ALA A 103 -6.726 -16.490 -11.008 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.526 -15.263 -12.415 1.00 0.00 C ATOM 0 H ALA A 103 -3.178 -16.495 -10.834 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.526 -14.118 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.207 -14.584 -12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.497 -15.000 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.725 -16.286 -12.733 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.685 -14.723 -9.592 1.00 0.00 N ATOM 1585 CA ASN A 104 -8.025 -14.852 -9.054 1.00 0.00 C ATOM 1586 C ASN A 104 -9.006 -14.178 -10.012 1.00 0.00 C ATOM 1587 O ASN A 104 -8.632 -13.255 -10.741 1.00 0.00 O ATOM 1588 CB ASN A 104 -8.035 -14.207 -7.662 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.199 -14.653 -6.810 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.363 -14.408 -7.106 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.893 -15.309 -5.714 1.00 0.00 N ATOM 0 H ASN A 104 -6.163 -13.954 -9.171 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.327 -15.894 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.104 -14.449 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.067 -13.123 -7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.632 -15.627 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.916 -15.500 -5.490 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.267 -14.606 -9.989 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.369 -13.964 -10.681 1.00 0.00 C ATOM 1600 C ASP A 105 -11.678 -12.566 -10.137 1.00 0.00 C ATOM 1601 O ASP A 105 -12.396 -11.792 -10.771 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.632 -14.826 -10.607 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.694 -14.349 -11.605 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.339 -14.091 -12.782 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.892 -14.286 -11.263 1.00 0.00 O ATOM 0 H ASP A 105 -10.553 -15.436 -9.470 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.054 -13.855 -11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.377 -15.866 -10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.039 -14.792 -9.596 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.160 -12.231 -8.954 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.338 -10.930 -8.317 1.00 0.00 C ATOM 1612 C ASP A 106 -9.977 -10.265 -8.163 1.00 0.00 C ATOM 1613 O ASP A 106 -9.121 -10.756 -7.414 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.994 -11.078 -6.940 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.475 -9.741 -6.376 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.081 -8.683 -6.915 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.189 -9.773 -5.349 1.00 0.00 O ATOM 0 H ASP A 106 -10.592 -12.873 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.990 -10.319 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.839 -11.763 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.281 -11.526 -6.247 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.754 -9.145 -8.854 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.529 -8.375 -8.703 1.00 0.00 C ATOM 1624 C LYS A 107 -8.369 -7.868 -7.272 1.00 0.00 C ATOM 1625 O LYS A 107 -7.230 -7.779 -6.822 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.470 -7.218 -9.723 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.125 -7.205 -10.462 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.158 -8.207 -11.624 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.225 -7.469 -12.963 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.883 -7.190 -13.517 1.00 0.00 N ATOM 0 H LYS A 107 -10.414 -8.754 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.689 -9.038 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.283 -7.320 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.616 -6.268 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.917 -6.204 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.319 -7.460 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.270 -8.838 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.021 -8.865 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.793 -8.066 -13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.764 -6.531 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.979 -6.689 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.348 -6.598 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.377 -8.086 -13.668 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.449 -7.614 -6.520 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.362 -7.251 -5.110 1.00 0.00 C ATOM 1646 C CYS A 108 -8.628 -8.355 -4.335 1.00 0.00 C ATOM 1647 O CYS A 108 -7.655 -8.107 -3.622 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.755 -7.088 -4.484 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.016 -6.012 -5.205 1.00 0.00 S ATOM 0 H CYS A 108 -10.404 -7.656 -6.877 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.825 -6.304 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.191 -8.085 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.600 -6.747 -3.460 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.133 -9.585 -4.446 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.704 -10.756 -3.696 1.00 0.00 C ATOM 1656 C ILE A 109 -7.310 -11.206 -4.146 1.00 0.00 C ATOM 1657 O ILE A 109 -6.501 -11.586 -3.292 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.792 -11.847 -3.853 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.131 -11.368 -3.243 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.354 -13.152 -3.190 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.308 -12.326 -3.469 1.00 0.00 C ATOM 0 H ILE A 109 -9.890 -9.797 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.602 -10.530 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.934 -12.030 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.997 -11.223 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.383 -10.396 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.135 -13.903 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.434 -13.505 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.181 -12.980 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.206 -11.914 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.473 -12.453 -4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.082 -13.293 -3.019 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.022 -11.142 -5.450 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.680 -11.328 -5.984 1.00 0.00 C ATOM 1675 C TRP A 110 -4.730 -10.331 -5.323 1.00 0.00 C ATOM 1676 O TRP A 110 -3.758 -10.746 -4.699 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.668 -11.174 -7.510 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.319 -11.316 -8.145 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.674 -12.486 -8.338 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.428 -10.281 -8.658 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.465 -12.264 -8.968 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.262 -10.915 -9.186 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.489 -8.872 -8.726 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.224 -10.180 -9.781 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.440 -8.124 -9.293 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.323 -8.778 -9.836 1.00 0.00 C ATOM 0 H TRP A 110 -7.724 -10.958 -6.166 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.345 -12.340 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.337 -11.918 -7.941 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.073 -10.195 -7.765 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.049 -13.455 -8.043 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.810 -12.998 -9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.356 -8.359 -8.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.361 -10.684 -10.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.495 -7.046 -9.310 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.535 -8.202 -10.298 1.00 0.00 H new ATOM 1697 N THR A 111 -5.030 -9.033 -5.401 1.00 0.00 N ATOM 1698 CA THR A 111 -4.191 -7.975 -4.854 1.00 0.00 C ATOM 1699 C THR A 111 -3.966 -8.190 -3.354 1.00 0.00 C ATOM 1700 O THR A 111 -2.851 -7.961 -2.874 1.00 0.00 O ATOM 1701 CB THR A 111 -4.814 -6.613 -5.211 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.914 -6.547 -6.612 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.032 -5.372 -4.765 1.00 0.00 C ATOM 0 H THR A 111 -5.876 -8.686 -5.853 1.00 0.00 H new ATOM 0 HA THR A 111 -3.196 -7.997 -5.298 1.00 0.00 H new ATOM 0 HB THR A 111 -5.764 -6.581 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.837 -6.734 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.568 -4.474 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.927 -5.379 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.044 -5.380 -5.225 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.960 -8.666 -2.584 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.732 -9.000 -1.184 1.00 0.00 C ATOM 1713 C LEU A 112 -3.727 -10.134 -1.032 1.00 0.00 C ATOM 1714 O LEU A 112 -2.827 -10.039 -0.201 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.026 -9.337 -0.467 1.00 0.00 C ATOM 1716 CG LEU A 112 -5.868 -9.240 1.072 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -4.975 -8.126 1.652 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.266 -8.941 1.572 1.00 0.00 C ATOM 0 H LEU A 112 -5.914 -8.823 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.311 -8.110 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.812 -8.658 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.341 -10.345 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.386 -10.167 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.969 -8.194 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.959 -8.241 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.365 -7.154 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.253 -8.854 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.615 -8.004 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.937 -9.749 1.280 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.865 -11.192 -1.834 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.892 -12.276 -1.914 1.00 0.00 C ATOM 1732 C GLY A 113 -1.477 -11.738 -2.138 1.00 0.00 C ATOM 1733 O GLY A 113 -0.588 -12.031 -1.338 1.00 0.00 O ATOM 0 H GLY A 113 -4.666 -11.319 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.920 -12.861 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.161 -12.949 -2.728 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.277 -10.895 -3.155 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.005 -10.237 -3.461 1.00 0.00 C ATOM 1739 C VAL A 114 0.503 -9.518 -2.194 1.00 0.00 C ATOM 1740 O VAL A 114 1.562 -9.860 -1.673 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.172 -9.333 -4.709 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.108 -8.583 -5.089 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.577 -10.168 -5.936 1.00 0.00 C ATOM 0 H VAL A 114 -2.019 -10.644 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 114 0.770 -10.955 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.943 -8.612 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.922 -7.969 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.415 -7.945 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.899 -9.301 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.689 -9.514 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.194 -10.911 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.523 -10.671 -5.737 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.291 -8.615 -1.606 1.00 0.00 N ATOM 1754 CA ALA A 115 0.101 -7.865 -0.409 1.00 0.00 C ATOM 1755 C ALA A 115 0.263 -8.724 0.858 1.00 0.00 C ATOM 1756 O ALA A 115 0.790 -8.238 1.859 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.922 -6.756 -0.144 1.00 0.00 C ATOM 0 H ALA A 115 -1.224 -8.384 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 115 1.088 -7.454 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.631 -6.198 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.958 -6.082 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.906 -7.198 0.011 1.00 0.00 H new ATOM 1763 N THR A 116 -0.208 -9.970 0.875 1.00 0.00 N ATOM 1764 CA THR A 116 0.051 -10.905 1.965 1.00 0.00 C ATOM 1765 C THR A 116 1.455 -11.474 1.780 1.00 0.00 C ATOM 1766 O THR A 116 2.258 -11.466 2.717 1.00 0.00 O ATOM 1767 CB THR A 116 -1.016 -12.013 1.950 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.306 -11.435 2.006 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.884 -12.975 3.128 1.00 0.00 C ATOM 0 H THR A 116 -0.783 -10.360 0.128 1.00 0.00 H new ATOM 0 HA THR A 116 -0.003 -10.406 2.933 1.00 0.00 H new ATOM 0 HB THR A 116 -0.868 -12.574 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.498 -10.980 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.662 -13.735 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.095 -13.454 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.990 -12.423 4.062 1.00 0.00 H new ATOM 1777 N CYS A 117 1.746 -11.928 0.557 1.00 0.00 N ATOM 1778 CA CYS A 117 3.053 -12.405 0.163 1.00 0.00 C ATOM 1779 C CYS A 117 4.119 -11.346 0.445 1.00 0.00 C ATOM 1780 O CYS A 117 5.147 -11.715 1.011 1.00 0.00 O ATOM 1781 CB CYS A 117 3.017 -12.851 -1.300 1.00 0.00 C ATOM 1782 SG CYS A 117 4.620 -13.248 -2.031 1.00 0.00 S ATOM 0 H CYS A 117 1.057 -11.970 -0.194 1.00 0.00 H new ATOM 0 HA CYS A 117 3.327 -13.276 0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.374 -13.728 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.553 -12.061 -1.891 1.00 0.00 H new ATOM 1787 N PHE A 118 3.878 -10.054 0.149 1.00 0.00 N ATOM 1788 CA PHE A 118 4.853 -9.008 0.422 1.00 0.00 C ATOM 1789 C PHE A 118 5.395 -9.104 1.863 1.00 0.00 C ATOM 1790 O PHE A 118 6.582 -9.343 2.104 1.00 0.00 O ATOM 1791 CB PHE A 118 4.232 -7.630 0.101 1.00 0.00 C ATOM 1792 CG PHE A 118 5.199 -6.461 0.002 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.554 -6.644 0.307 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.782 -5.196 -0.455 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.467 -5.599 0.198 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.681 -4.112 -0.455 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.022 -4.308 -0.115 1.00 0.00 C ATOM 0 H PHE A 118 3.014 -9.721 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 118 5.719 -9.142 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.694 -7.709 -0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.495 -7.400 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.897 -7.615 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.770 -5.057 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.519 -5.784 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.332 -3.125 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.708 -3.474 -0.094 1.00 0.00 H new ATOM 1807 N LYS A 119 4.508 -8.967 2.840 1.00 0.00 N ATOM 1808 CA LYS A 119 4.803 -9.001 4.264 1.00 0.00 C ATOM 1809 C LYS A 119 5.641 -10.217 4.643 1.00 0.00 C ATOM 1810 O LYS A 119 6.579 -10.105 5.439 1.00 0.00 O ATOM 1811 CB LYS A 119 3.473 -9.032 5.030 1.00 0.00 C ATOM 1812 CG LYS A 119 3.549 -8.144 6.286 1.00 0.00 C ATOM 1813 CD LYS A 119 2.665 -8.625 7.447 1.00 0.00 C ATOM 1814 CE LYS A 119 2.887 -7.752 8.693 1.00 0.00 C ATOM 1815 NZ LYS A 119 4.213 -7.958 9.327 1.00 0.00 N ATOM 0 H LYS A 119 3.516 -8.822 2.650 1.00 0.00 H new ATOM 0 HA LYS A 119 5.383 -8.115 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.666 -8.687 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.236 -10.057 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.584 -8.100 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.258 -7.128 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.616 -8.588 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.894 -9.665 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.784 -6.703 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.106 -7.967 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.243 -7.460 10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.370 -8.974 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.957 -7.584 8.704 1.00 0.00 H new ATOM 1829 N ALA A 120 5.256 -11.379 4.115 1.00 0.00 N ATOM 1830 CA ALA A 120 5.951 -12.633 4.367 1.00 0.00 C ATOM 1831 C ALA A 120 7.415 -12.536 3.926 1.00 0.00 C ATOM 1832 O ALA A 120 8.293 -12.984 4.662 1.00 0.00 O ATOM 1833 CB ALA A 120 5.232 -13.800 3.681 1.00 0.00 C ATOM 0 H ALA A 120 4.449 -11.473 3.498 1.00 0.00 H new ATOM 0 HA ALA A 120 5.940 -12.826 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.769 -14.727 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.215 -13.878 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.200 -13.626 2.605 1.00 0.00 H new ATOM 1839 N GLU A 121 7.710 -11.940 2.770 1.00 0.00 N ATOM 1840 CA GLU A 121 9.079 -11.838 2.268 1.00 0.00 C ATOM 1841 C GLU A 121 9.898 -10.799 3.027 1.00 0.00 C ATOM 1842 O GLU A 121 11.080 -11.029 3.276 1.00 0.00 O ATOM 1843 CB GLU A 121 9.078 -11.512 0.775 1.00 0.00 C ATOM 1844 CG GLU A 121 8.425 -12.612 -0.079 1.00 0.00 C ATOM 1845 CD GLU A 121 9.138 -13.961 0.042 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.977 -14.655 1.067 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.850 -14.361 -0.912 1.00 0.00 O ATOM 0 H GLU A 121 7.011 -11.517 2.159 1.00 0.00 H new ATOM 0 HA GLU A 121 9.550 -12.808 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.549 -10.573 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.104 -11.361 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.384 -12.729 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.422 -12.301 -1.124 1.00 0.00 H new ATOM 1854 N ILE A 122 9.298 -9.693 3.482 1.00 0.00 N ATOM 1855 CA ILE A 122 9.953 -8.805 4.440 1.00 0.00 C ATOM 1856 C ILE A 122 10.393 -9.612 5.678 1.00 0.00 C ATOM 1857 O ILE A 122 11.467 -9.376 6.218 1.00 0.00 O ATOM 1858 CB ILE A 122 9.047 -7.591 4.757 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.737 -6.779 3.483 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.665 -6.731 5.874 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.780 -5.601 3.723 1.00 0.00 C ATOM 0 H ILE A 122 8.364 -9.395 3.202 1.00 0.00 H new ATOM 0 HA ILE A 122 10.863 -8.384 4.012 1.00 0.00 H new ATOM 0 HB ILE A 122 8.090 -7.957 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.671 -6.399 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.303 -7.443 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.013 -5.882 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.778 -7.332 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.642 -6.368 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.607 -5.075 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.832 -5.975 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.221 -4.915 4.447 1.00 0.00 H new ATOM 1873 N HIS A 123 9.634 -10.634 6.085 1.00 0.00 N ATOM 1874 CA HIS A 123 10.002 -11.518 7.193 1.00 0.00 C ATOM 1875 C HIS A 123 11.195 -12.448 6.885 1.00 0.00 C ATOM 1876 O HIS A 123 11.653 -13.182 7.771 1.00 0.00 O ATOM 1877 CB HIS A 123 8.765 -12.327 7.608 1.00 0.00 C ATOM 1878 CG HIS A 123 8.624 -12.462 9.097 1.00 0.00 C ATOM 1879 ND1 HIS A 123 9.325 -13.341 9.888 1.00 0.00 N ATOM 1880 CD2 HIS A 123 7.816 -11.713 9.911 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.935 -13.132 11.154 1.00 0.00 C ATOM 1882 NE2 HIS A 123 7.999 -12.171 11.218 1.00 0.00 N ATOM 0 H HIS A 123 8.742 -10.872 5.652 1.00 0.00 H new ATOM 0 HA HIS A 123 10.343 -10.888 8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.873 -11.847 7.206 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.821 -13.320 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.158 -10.915 9.600 1.00 0.00 H new ATOM 0 HE1 HIS A 123 9.322 -13.666 12.009 1.00 0.00 H new ATOM 0 HE2 HIS A 123 7.518 -11.841 12.055 1.00 0.00 H new ATOM 1890 N LYS A 124 11.696 -12.462 5.646 1.00 0.00 N ATOM 1891 CA LYS A 124 12.946 -13.119 5.249 1.00 0.00 C ATOM 1892 C LYS A 124 14.079 -12.099 5.064 1.00 0.00 C ATOM 1893 O LYS A 124 15.250 -12.479 5.195 1.00 0.00 O ATOM 1894 CB LYS A 124 12.752 -13.938 3.953 1.00 0.00 C ATOM 1895 CG LYS A 124 11.675 -15.038 4.050 1.00 0.00 C ATOM 1896 CD LYS A 124 11.708 -15.946 2.807 1.00 0.00 C ATOM 1897 CE LYS A 124 10.747 -17.147 2.861 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.326 -16.769 2.726 1.00 0.00 N ATOM 0 H LYS A 124 11.227 -12.001 4.866 1.00 0.00 H new ATOM 0 HA LYS A 124 13.226 -13.799 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.487 -13.257 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.702 -14.399 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.839 -15.635 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.690 -14.581 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.468 -15.346 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.724 -16.317 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.006 -17.846 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.887 -17.673 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.853 -17.426 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.865 -16.814 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.258 -15.801 2.353 1.00 0.00 H new ATOM 1912 N LEU A 125 13.777 -10.834 4.739 1.00 0.00 N ATOM 1913 CA LEU A 125 14.780 -9.784 4.580 1.00 0.00 C ATOM 1914 C LEU A 125 15.521 -9.532 5.890 1.00 0.00 C ATOM 1915 O LEU A 125 15.041 -9.801 6.992 1.00 0.00 O ATOM 1916 CB LEU A 125 14.153 -8.454 4.107 1.00 0.00 C ATOM 1917 CG LEU A 125 13.959 -8.322 2.585 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.058 -7.124 2.253 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.325 -8.098 1.925 1.00 0.00 C ATOM 0 H LEU A 125 12.822 -10.514 4.579 1.00 0.00 H new ATOM 0 HA LEU A 125 15.477 -10.137 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.184 -8.336 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.783 -7.633 4.449 1.00 0.00 H new ATOM 0 HG LEU A 125 13.492 -9.235 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.935 -7.050 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.083 -7.261 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.516 -6.209 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.197 -8.003 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.774 -7.186 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.976 -8.945 2.140 1.00 0.00 H new ATOM 1931 N ASN A 126 16.690 -8.916 5.725 1.00 0.00 N ATOM 1932 CA ASN A 126 17.591 -8.468 6.790 1.00 0.00 C ATOM 1933 C ASN A 126 17.085 -7.206 7.489 1.00 0.00 C ATOM 1934 O ASN A 126 17.671 -6.756 8.469 1.00 0.00 O ATOM 1935 CB ASN A 126 18.980 -8.199 6.178 1.00 0.00 C ATOM 1936 CG ASN A 126 20.021 -7.763 7.206 1.00 0.00 C ATOM 1937 OD1 ASN A 126 20.280 -8.465 8.181 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.697 -6.651 6.980 1.00 0.00 N ATOM 0 H ASN A 126 17.055 -8.704 4.797 1.00 0.00 H new ATOM 0 HA ASN A 126 17.642 -9.253 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.330 -9.102 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.889 -7.427 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.441 -6.368 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.475 -6.075 6.168 1.00 0.00 H new ATOM 1945 N TRP A 127 16.033 -6.589 6.965 1.00 0.00 N ATOM 1946 CA TRP A 127 15.502 -5.331 7.452 1.00 0.00 C ATOM 1947 C TRP A 127 13.994 -5.313 7.259 1.00 0.00 C ATOM 1948 O TRP A 127 13.429 -6.162 6.567 1.00 0.00 O ATOM 1949 CB TRP A 127 16.156 -4.160 6.705 1.00 0.00 C ATOM 1950 CG TRP A 127 15.854 -4.104 5.236 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.230 -5.016 4.311 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.031 -3.131 4.525 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.667 -4.702 3.093 1.00 0.00 N ATOM 1954 CE2 TRP A 127 14.889 -3.572 3.179 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.369 -1.938 4.885 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.096 -2.898 2.249 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.616 -1.211 3.943 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.477 -1.694 2.628 1.00 0.00 C ATOM 0 H TRP A 127 15.516 -6.963 6.169 1.00 0.00 H new ATOM 0 HA TRP A 127 15.725 -5.227 8.514 1.00 0.00 H new ATOM 0 HB2 TRP A 127 15.830 -3.227 7.165 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.236 -4.221 6.838 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.874 -5.862 4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.809 -5.239 2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.441 -1.576 5.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.960 -3.295 1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.145 -0.282 4.230 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.894 -1.138 1.909 1.00 0.00 H new ATOM 1969 N ALA A 128 13.361 -4.309 7.856 1.00 0.00 N ATOM 1970 CA ALA A 128 11.917 -4.140 7.861 1.00 0.00 C ATOM 1971 C ALA A 128 11.577 -2.681 7.533 1.00 0.00 C ATOM 1972 O ALA A 128 11.789 -1.824 8.402 1.00 0.00 O ATOM 1973 CB ALA A 128 11.365 -4.575 9.218 1.00 0.00 C ATOM 0 H ALA A 128 13.853 -3.573 8.362 1.00 0.00 H new ATOM 0 HA ALA A 128 11.451 -4.765 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.282 -4.450 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.611 -5.622 9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.807 -3.963 10.004 1.00 0.00 H new ATOM 1979 N PRO A 129 11.080 -2.375 6.319 1.00 0.00 N ATOM 1980 CA PRO A 129 10.643 -1.033 5.948 1.00 0.00 C ATOM 1981 C PRO A 129 9.466 -0.587 6.814 1.00 0.00 C ATOM 1982 O PRO A 129 8.672 -1.416 7.266 1.00 0.00 O ATOM 1983 CB PRO A 129 10.208 -1.097 4.476 1.00 0.00 C ATOM 1984 CG PRO A 129 10.368 -2.552 4.040 1.00 0.00 C ATOM 1985 CD PRO A 129 10.743 -3.336 5.285 1.00 0.00 C ATOM 0 HA PRO A 129 11.451 -0.316 6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.175 -0.769 4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.821 -0.438 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.442 -2.931 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.139 -2.645 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.915 -3.968 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.588 -3.995 5.084 1.00 0.00 H new ATOM 1993 N SER A 130 9.300 0.724 6.986 1.00 0.00 N ATOM 1994 CA SER A 130 8.076 1.278 7.547 1.00 0.00 C ATOM 1995 C SER A 130 6.889 1.040 6.605 1.00 0.00 C ATOM 1996 O SER A 130 7.054 0.740 5.424 1.00 0.00 O ATOM 1997 CB SER A 130 8.250 2.777 7.767 1.00 0.00 C ATOM 1998 OG SER A 130 9.208 3.052 8.778 1.00 0.00 O ATOM 0 H SER A 130 10.003 1.422 6.743 1.00 0.00 H new ATOM 0 HA SER A 130 7.875 0.781 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.560 3.248 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.292 3.218 8.044 1.00 0.00 H new ATOM 0 HG SER A 130 9.295 4.022 8.891 1.00 0.00 H new ATOM 2004 N MET A 131 5.678 1.225 7.127 1.00 0.00 N ATOM 2005 CA MET A 131 4.430 0.983 6.414 1.00 0.00 C ATOM 2006 C MET A 131 4.255 1.940 5.242 1.00 0.00 C ATOM 2007 O MET A 131 3.799 1.551 4.172 1.00 0.00 O ATOM 2008 CB MET A 131 3.262 1.177 7.376 1.00 0.00 C ATOM 2009 CG MET A 131 3.016 -0.037 8.260 1.00 0.00 C ATOM 2010 SD MET A 131 3.892 -0.067 9.840 1.00 0.00 S ATOM 2011 CE MET A 131 5.337 -1.034 9.357 1.00 0.00 C ATOM 0 H MET A 131 5.536 1.556 8.081 1.00 0.00 H new ATOM 0 HA MET A 131 4.457 -0.036 6.027 1.00 0.00 H new ATOM 0 HB2 MET A 131 3.457 2.045 8.006 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.359 1.393 6.805 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.947 -0.103 8.460 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.291 -0.930 7.699 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.310 -2.003 9.856 1.00 0.00 H new ATOM 0 HE2 MET A 131 5.332 -1.182 8.277 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.244 -0.503 9.646 1.00 0.00 H new ATOM 2021 N ASP A 132 4.552 3.213 5.460 1.00 0.00 N ATOM 2022 CA ASP A 132 4.713 4.239 4.434 1.00 0.00 C ATOM 2023 C ASP A 132 5.535 3.766 3.268 1.00 0.00 C ATOM 2024 O ASP A 132 4.990 3.683 2.177 1.00 0.00 O ATOM 2025 CB ASP A 132 5.125 5.542 5.112 1.00 0.00 C ATOM 2026 CG ASP A 132 6.566 5.980 5.107 1.00 0.00 C ATOM 2027 OD1 ASP A 132 7.358 5.154 5.621 1.00 0.00 O ATOM 2028 OD2 ASP A 132 6.740 7.211 5.188 1.00 0.00 O ATOM 0 H ASP A 132 4.695 3.578 6.402 1.00 0.00 H new ATOM 0 HA ASP A 132 3.768 4.458 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 132 4.543 6.342 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 132 4.812 5.477 6.154 1.00 0.00 H new ATOM 2033 N VAL A 133 6.772 3.373 3.521 1.00 0.00 N ATOM 2034 CA VAL A 133 7.638 2.817 2.489 1.00 0.00 C ATOM 2035 C VAL A 133 6.980 1.591 1.836 1.00 0.00 C ATOM 2036 O VAL A 133 6.734 1.609 0.634 1.00 0.00 O ATOM 2037 CB VAL A 133 9.039 2.515 3.045 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.901 1.848 1.974 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.758 3.791 3.491 1.00 0.00 C ATOM 0 H VAL A 133 7.205 3.429 4.443 1.00 0.00 H new ATOM 0 HA VAL A 133 7.773 3.562 1.705 1.00 0.00 H new ATOM 0 HB VAL A 133 8.903 1.856 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.890 1.640 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.434 0.915 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.995 2.513 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.745 3.536 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.864 4.465 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.177 4.282 4.272 1.00 0.00 H new ATOM 2049 N ALA A 134 6.694 0.532 2.602 1.00 0.00 N ATOM 2050 CA ALA A 134 6.313 -0.764 2.039 1.00 0.00 C ATOM 2051 C ALA A 134 5.024 -0.642 1.237 1.00 0.00 C ATOM 2052 O ALA A 134 5.001 -0.993 0.062 1.00 0.00 O ATOM 2053 CB ALA A 134 6.195 -1.798 3.162 1.00 0.00 C ATOM 0 H ALA A 134 6.720 0.550 3.621 1.00 0.00 H new ATOM 0 HA ALA A 134 7.086 -1.103 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.911 -2.762 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.154 -1.893 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.436 -1.476 3.875 1.00 0.00 H new ATOM 2059 N VAL A 135 3.954 -0.128 1.839 1.00 0.00 N ATOM 2060 CA VAL A 135 2.705 0.058 1.116 1.00 0.00 C ATOM 2061 C VAL A 135 2.901 1.102 0.009 1.00 0.00 C ATOM 2062 O VAL A 135 2.287 0.971 -1.042 1.00 0.00 O ATOM 2063 CB VAL A 135 1.560 0.405 2.078 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.188 0.385 1.383 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.499 -0.607 3.234 1.00 0.00 C ATOM 0 H VAL A 135 3.929 0.164 2.816 1.00 0.00 H new ATOM 0 HA VAL A 135 2.417 -0.876 0.634 1.00 0.00 H new ATOM 0 HB VAL A 135 1.768 1.410 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.589 0.637 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.180 1.114 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.001 -0.610 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 135 0.681 -0.344 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.333 -1.607 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.440 -0.588 3.784 1.00 0.00 H new ATOM 2075 N GLY A 136 3.758 2.104 0.213 1.00 0.00 N ATOM 2076 CA GLY A 136 4.046 3.127 -0.773 1.00 0.00 C ATOM 2077 C GLY A 136 4.541 2.517 -2.083 1.00 0.00 C ATOM 2078 O GLY A 136 4.054 2.922 -3.139 1.00 0.00 O ATOM 0 H GLY A 136 4.275 2.222 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.148 3.716 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.799 3.810 -0.381 1.00 0.00 H new ATOM 2082 N GLU A 137 5.450 1.540 -2.004 1.00 0.00 N ATOM 2083 CA GLU A 137 6.120 0.918 -3.139 1.00 0.00 C ATOM 2084 C GLU A 137 5.115 0.027 -3.872 1.00 0.00 C ATOM 2085 O GLU A 137 4.782 0.304 -5.015 1.00 0.00 O ATOM 2086 CB GLU A 137 7.365 0.154 -2.685 1.00 0.00 C ATOM 2087 CG GLU A 137 8.414 1.118 -2.105 1.00 0.00 C ATOM 2088 CD GLU A 137 9.678 1.349 -2.949 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.572 1.626 -4.171 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.765 1.356 -2.335 1.00 0.00 O ATOM 0 H GLU A 137 5.747 1.149 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 137 6.472 1.681 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.090 -0.586 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.791 -0.390 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.935 2.083 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.720 0.741 -1.129 1.00 0.00 H new ATOM 2097 N ILE A 138 4.517 -0.970 -3.198 1.00 0.00 N ATOM 2098 CA ILE A 138 3.594 -1.917 -3.860 1.00 0.00 C ATOM 2099 C ILE A 138 2.439 -1.189 -4.562 1.00 0.00 C ATOM 2100 O ILE A 138 1.945 -1.644 -5.589 1.00 0.00 O ATOM 2101 CB ILE A 138 3.102 -3.018 -2.884 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.214 -4.088 -3.566 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.356 -2.407 -1.683 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.881 -5.333 -2.714 1.00 0.00 C ATOM 0 H ILE A 138 4.653 -1.143 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 138 4.156 -2.428 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 138 4.002 -3.523 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.278 -3.617 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.712 -4.418 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.024 -3.204 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.024 -1.737 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.491 -1.847 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.255 -6.013 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.804 -5.840 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.348 -5.026 -1.814 1.00 0.00 H new ATOM 2116 N LEU A 139 1.993 -0.050 -4.031 1.00 0.00 N ATOM 2117 CA LEU A 139 0.987 0.780 -4.677 1.00 0.00 C ATOM 2118 C LEU A 139 1.519 1.540 -5.888 1.00 0.00 C ATOM 2119 O LEU A 139 0.797 1.746 -6.855 1.00 0.00 O ATOM 2120 CB LEU A 139 0.493 1.814 -3.682 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.402 1.283 -2.550 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.915 2.447 -1.707 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.607 0.485 -3.018 1.00 0.00 C ATOM 0 H LEU A 139 2.322 0.320 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 139 0.198 0.107 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.359 2.303 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.059 2.579 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 139 0.234 0.606 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.549 2.065 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.070 2.984 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.493 3.124 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.180 0.151 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.236 1.112 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.271 -0.382 -3.587 1.00 0.00 H new ATOM 2135 N ALA A 140 2.755 2.010 -5.829 1.00 0.00 N ATOM 2136 CA ALA A 140 3.470 2.531 -6.987 1.00 0.00 C ATOM 2137 C ALA A 140 3.602 1.516 -8.137 1.00 0.00 C ATOM 2138 O ALA A 140 4.058 1.919 -9.206 1.00 0.00 O ATOM 2139 CB ALA A 140 4.840 3.089 -6.581 1.00 0.00 C ATOM 0 H ALA A 140 3.298 2.041 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 140 2.861 3.346 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.353 3.471 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.705 3.896 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.437 2.296 -6.130 1.00 0.00 H new ATOM 2145 N GLU A 141 3.213 0.248 -7.965 1.00 0.00 N ATOM 2146 CA GLU A 141 3.457 -0.844 -8.899 1.00 0.00 C ATOM 2147 C GLU A 141 2.161 -1.553 -9.322 1.00 0.00 C ATOM 2148 O GLU A 141 1.875 -1.641 -10.519 1.00 0.00 O ATOM 2149 CB GLU A 141 4.438 -1.823 -8.226 1.00 0.00 C ATOM 2150 CG GLU A 141 5.888 -1.295 -8.239 1.00 0.00 C ATOM 2151 CD GLU A 141 6.660 -1.586 -6.951 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.770 -2.777 -6.603 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.183 -0.627 -6.346 1.00 0.00 O ATOM 0 H GLU A 141 2.699 -0.052 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 141 3.886 -0.446 -9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.126 -1.997 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.398 -2.784 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.420 -1.741 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.872 -0.218 -8.407 1.00 0.00 H new ATOM 2160 N VAL A 142 1.424 -2.126 -8.363 1.00 0.00 N ATOM 2161 CA VAL A 142 0.345 -3.091 -8.588 1.00 0.00 C ATOM 2162 C VAL A 142 -0.767 -2.475 -9.449 1.00 0.00 C ATOM 2163 O VAL A 142 -0.930 -2.944 -10.599 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.086 -3.689 -7.229 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.501 -4.275 -7.196 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.919 -4.784 -6.831 1.00 0.00 C ATOM 0 H VAL A 142 1.569 -1.922 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 142 0.681 -3.940 -9.183 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.096 -2.857 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.709 -4.669 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.224 -3.495 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.579 -5.079 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.627 -5.215 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.928 -5.564 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.915 -4.350 -6.745 1.00 0.00 H new