USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 894 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 25 ASN : amide:sc= 1.05 K(o=2.3,f=-6.5!) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.034) USER MOD Single : A 14 HIS : no HE2:sc= 0.5 K(o=0.5,f=-6.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.715 K(o=0.72,f=0) USER MOD Single : A 28 MET CE :methyl -147:sc= -1.24 (180deg=-2.42) USER MOD Single : A 30 SER OG : rot 84:sc= 0.918 USER MOD Single : A 32 MET CE :methyl -172:sc= -3.84! (180deg=-4.07!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.348 F(o=-1.1!,f=-0.35) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -0.0434! C(o=-0.043!,f=-5.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 87:sc= 1.23 USER MOD Single : A 54 HIS : no HD1:sc= 0.929 K(o=0.93,f=-4.3!) USER MOD Single : A 56 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.224) USER MOD Single : A 59 SER OG : rot -170:sc= -0.769 USER MOD Single : A 60 THR OG1 : rot 60:sc= 0.619 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.154 F(o=-1.1,f=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0.668) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0187 F(o=-0.86,f=-0.019) USER MOD Single : A 95 TYR OH : rot 92:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot -115:sc= 0.62 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -170:sc= -0.683 USER MOD Single : A 101 GLN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 85:sc= 0.451 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.605 F(o=-1.1,f=-0.6) USER MOD Single : A 112 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.315 F(o=-1.8!,f=-0.31) USER MOD Single : A 126 SER OG : rot 101:sc= 1.22 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= 0.0776 X(o=0.078,f=-0.32) USER MOD Single : A 129 GLN : amide:sc= 1.17 K(o=1.2,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -16.328 -7.323 4.285 1.00 0.00 N ATOM 109 CA GLU A 8 -16.032 -8.262 3.206 1.00 0.00 C ATOM 110 C GLU A 8 -15.980 -7.539 1.868 1.00 0.00 C ATOM 111 O GLU A 8 -15.220 -7.917 0.972 1.00 0.00 O ATOM 112 CB GLU A 8 -17.087 -9.371 3.147 1.00 0.00 C ATOM 113 CG GLU A 8 -16.820 -10.531 4.096 1.00 0.00 C ATOM 114 CD GLU A 8 -18.006 -11.470 4.202 1.00 0.00 C ATOM 115 OE1 GLU A 8 -18.272 -12.206 3.230 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.678 -11.478 5.254 1.00 0.00 O ATOM 0 HA GLU A 8 -15.059 -8.709 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.062 -8.943 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.140 -9.754 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.948 -11.087 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.578 -10.141 5.085 1.00 0.00 H new ATOM 123 N ALA A 9 -16.783 -6.490 1.743 1.00 0.00 N ATOM 124 CA ALA A 9 -16.829 -5.708 0.519 1.00 0.00 C ATOM 125 C ALA A 9 -15.575 -4.863 0.397 1.00 0.00 C ATOM 126 O ALA A 9 -14.995 -4.733 -0.678 1.00 0.00 O ATOM 127 CB ALA A 9 -18.063 -4.821 0.496 1.00 0.00 C ATOM 0 H ALA A 9 -17.411 -6.163 2.477 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.882 -6.392 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.079 -4.244 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.958 -5.441 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.038 -4.141 1.348 1.00 0.00 H new ATOM 133 N ILE A 10 -15.137 -4.314 1.518 1.00 0.00 N ATOM 134 CA ILE A 10 -13.946 -3.485 1.524 1.00 0.00 C ATOM 135 C ILE A 10 -12.696 -4.348 1.638 1.00 0.00 C ATOM 136 O ILE A 10 -11.570 -3.858 1.548 1.00 0.00 O ATOM 137 CB ILE A 10 -13.981 -2.436 2.644 1.00 0.00 C ATOM 138 CG1 ILE A 10 -13.885 -3.091 4.016 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.243 -1.589 2.540 1.00 0.00 C ATOM 140 CD1 ILE A 10 -12.777 -2.520 4.861 1.00 0.00 C ATOM 0 H ILE A 10 -15.585 -4.427 2.428 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.919 -2.947 0.576 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.115 -1.786 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.834 -2.969 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.725 -4.162 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.252 -0.850 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.261 -1.080 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.120 -2.230 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.758 -3.026 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.822 -2.666 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.948 -1.454 5.013 1.00 0.00 H new ATOM 152 N ASP A 11 -12.905 -5.647 1.820 1.00 0.00 N ATOM 153 CA ASP A 11 -11.818 -6.610 1.744 1.00 0.00 C ATOM 154 C ASP A 11 -11.393 -6.755 0.295 1.00 0.00 C ATOM 155 O ASP A 11 -10.258 -7.105 0.000 1.00 0.00 O ATOM 156 CB ASP A 11 -12.237 -7.968 2.307 1.00 0.00 C ATOM 157 CG ASP A 11 -11.153 -8.597 3.159 1.00 0.00 C ATOM 158 OD1 ASP A 11 -10.308 -7.853 3.701 1.00 0.00 O ATOM 159 OD2 ASP A 11 -11.144 -9.839 3.299 1.00 0.00 O ATOM 0 H ASP A 11 -13.818 -6.055 2.021 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.984 -6.248 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.141 -7.848 2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.485 -8.639 1.484 1.00 0.00 H new ATOM 164 N GLN A 12 -12.317 -6.447 -0.610 1.00 0.00 N ATOM 165 CA GLN A 12 -12.013 -6.432 -2.033 1.00 0.00 C ATOM 166 C GLN A 12 -11.160 -5.208 -2.356 1.00 0.00 C ATOM 167 O GLN A 12 -10.362 -5.217 -3.292 1.00 0.00 O ATOM 168 CB GLN A 12 -13.300 -6.432 -2.859 1.00 0.00 C ATOM 169 CG GLN A 12 -14.310 -7.481 -2.414 1.00 0.00 C ATOM 170 CD GLN A 12 -13.735 -8.884 -2.415 1.00 0.00 C ATOM 171 OE1 GLN A 12 -13.571 -9.497 -3.468 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.429 -9.402 -1.233 1.00 0.00 N ATOM 0 H GLN A 12 -13.281 -6.205 -0.381 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.454 -7.332 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.761 -5.446 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.050 -6.602 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.663 -7.238 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.177 -7.448 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.581 -8.859 -0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.042 -10.344 -1.174 1.00 0.00 H new ATOM 181 N LEU A 13 -11.334 -4.154 -1.561 1.00 0.00 N ATOM 182 CA LEU A 13 -10.449 -3.000 -1.626 1.00 0.00 C ATOM 183 C LEU A 13 -9.106 -3.375 -1.019 1.00 0.00 C ATOM 184 O LEU A 13 -8.054 -2.929 -1.469 1.00 0.00 O ATOM 185 CB LEU A 13 -11.045 -1.800 -0.880 1.00 0.00 C ATOM 186 CG LEU A 13 -12.443 -1.368 -1.329 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.945 -0.221 -0.467 1.00 0.00 C ATOM 188 CD2 LEU A 13 -12.433 -0.975 -2.799 1.00 0.00 C ATOM 0 H LEU A 13 -12.078 -4.078 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.322 -2.712 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.082 -2.038 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.369 -0.953 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.123 -2.211 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.940 0.075 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.990 -0.541 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.266 0.627 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.435 -0.671 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.741 -0.146 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.115 -1.826 -3.401 1.00 0.00 H new ATOM 200 N HIS A 14 -9.154 -4.230 0.003 1.00 0.00 N ATOM 201 CA HIS A 14 -7.948 -4.748 0.625 1.00 0.00 C ATOM 202 C HIS A 14 -7.150 -5.545 -0.394 1.00 0.00 C ATOM 203 O HIS A 14 -5.925 -5.615 -0.312 1.00 0.00 O ATOM 204 CB HIS A 14 -8.281 -5.635 1.831 1.00 0.00 C ATOM 205 CG HIS A 14 -8.632 -4.877 3.074 1.00 0.00 C ATOM 206 ND1 HIS A 14 -9.419 -5.405 4.069 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.296 -3.632 3.485 1.00 0.00 C ATOM 208 CE1 HIS A 14 -9.558 -4.522 5.036 1.00 0.00 C ATOM 209 NE2 HIS A 14 -8.885 -3.434 4.710 1.00 0.00 N ATOM 0 H HIS A 14 -10.021 -4.576 0.414 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.357 -3.903 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.115 -6.287 1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.427 -6.279 2.041 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.832 -6.338 4.060 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.679 -2.925 2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.127 -4.664 5.943 1.00 0.00 H new ATOM 218 N LEU A 15 -7.853 -6.150 -1.350 1.00 0.00 N ATOM 219 CA LEU A 15 -7.218 -6.866 -2.440 1.00 0.00 C ATOM 220 C LEU A 15 -6.409 -5.927 -3.314 1.00 0.00 C ATOM 221 O LEU A 15 -5.282 -6.236 -3.677 1.00 0.00 O ATOM 222 CB LEU A 15 -8.269 -7.569 -3.294 1.00 0.00 C ATOM 223 CG LEU A 15 -8.466 -9.055 -3.012 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.190 -9.703 -2.494 1.00 0.00 C ATOM 225 CD2 LEU A 15 -9.627 -9.270 -2.059 1.00 0.00 C ATOM 0 H LEU A 15 -8.872 -6.154 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.546 -7.605 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.223 -7.062 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.997 -7.450 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.710 -9.545 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.370 -10.761 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.400 -9.597 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.884 -9.216 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.751 -10.337 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.426 -8.757 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.540 -8.871 -2.502 1.00 0.00 H new ATOM 237 N GLU A 16 -6.987 -4.780 -3.646 1.00 0.00 N ATOM 238 CA GLU A 16 -6.302 -3.792 -4.468 1.00 0.00 C ATOM 239 C GLU A 16 -5.092 -3.251 -3.732 1.00 0.00 C ATOM 240 O GLU A 16 -4.048 -2.982 -4.326 1.00 0.00 O ATOM 241 CB GLU A 16 -7.250 -2.644 -4.826 1.00 0.00 C ATOM 242 CG GLU A 16 -7.027 -2.078 -6.215 1.00 0.00 C ATOM 243 CD GLU A 16 -7.185 -3.123 -7.293 1.00 0.00 C ATOM 244 OE1 GLU A 16 -8.274 -3.730 -7.384 1.00 0.00 O ATOM 245 OE2 GLU A 16 -6.221 -3.351 -8.050 1.00 0.00 O ATOM 0 H GLU A 16 -7.928 -4.511 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.973 -4.275 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.278 -2.997 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.131 -1.845 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.734 -1.267 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.027 -1.648 -6.273 1.00 0.00 H new ATOM 252 N TYR A 17 -5.232 -3.125 -2.426 1.00 0.00 N ATOM 253 CA TYR A 17 -4.140 -2.679 -1.588 1.00 0.00 C ATOM 254 C TYR A 17 -3.072 -3.770 -1.563 1.00 0.00 C ATOM 255 O TYR A 17 -1.884 -3.498 -1.707 1.00 0.00 O ATOM 256 CB TYR A 17 -4.670 -2.379 -0.177 1.00 0.00 C ATOM 257 CG TYR A 17 -3.782 -1.499 0.691 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.413 -1.722 0.795 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.327 -0.462 1.439 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.619 -0.945 1.616 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.537 0.326 2.256 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.186 0.079 2.342 1.00 0.00 C ATOM 263 OH TYR A 17 -1.397 0.848 3.166 1.00 0.00 O ATOM 0 H TYR A 17 -6.096 -3.327 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.697 -1.764 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.645 -1.900 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.828 -3.325 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.962 -2.519 0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.388 -0.268 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.559 -1.139 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.978 1.132 2.824 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.949 1.528 3.606 1.00 0.00 H new ATOM 273 N ALA A 18 -3.518 -5.016 -1.447 1.00 0.00 N ATOM 274 CA ALA A 18 -2.617 -6.159 -1.384 1.00 0.00 C ATOM 275 C ALA A 18 -2.036 -6.487 -2.759 1.00 0.00 C ATOM 276 O ALA A 18 -1.090 -7.259 -2.867 1.00 0.00 O ATOM 277 CB ALA A 18 -3.335 -7.377 -0.808 1.00 0.00 C ATOM 0 H ALA A 18 -4.507 -5.260 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.791 -5.893 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.646 -8.221 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.688 -7.149 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.185 -7.632 -1.441 1.00 0.00 H new ATOM 283 N LYS A 19 -2.615 -5.920 -3.813 1.00 0.00 N ATOM 284 CA LYS A 19 -2.113 -6.137 -5.161 1.00 0.00 C ATOM 285 C LYS A 19 -1.056 -5.104 -5.526 1.00 0.00 C ATOM 286 O LYS A 19 -0.176 -5.369 -6.343 1.00 0.00 O ATOM 287 CB LYS A 19 -3.262 -6.089 -6.172 1.00 0.00 C ATOM 288 CG LYS A 19 -3.464 -7.391 -6.928 1.00 0.00 C ATOM 289 CD LYS A 19 -3.614 -8.572 -5.980 1.00 0.00 C ATOM 290 CE LYS A 19 -2.568 -9.638 -6.261 1.00 0.00 C ATOM 291 NZ LYS A 19 -2.943 -10.958 -5.686 1.00 0.00 N ATOM 0 H LYS A 19 -3.430 -5.309 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.652 -7.124 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.184 -5.836 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.072 -5.289 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.351 -7.313 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.617 -7.562 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.520 -8.229 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.611 -9.001 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.433 -9.738 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.610 -9.322 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.201 -11.654 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.046 -10.871 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.844 -11.273 -6.099 1.00 0.00 H new ATOM 305 N ARG A 20 -1.137 -3.930 -4.915 1.00 0.00 N ATOM 306 CA ARG A 20 -0.204 -2.852 -5.221 1.00 0.00 C ATOM 307 C ARG A 20 0.895 -2.755 -4.175 1.00 0.00 C ATOM 308 O ARG A 20 2.068 -2.580 -4.508 1.00 0.00 O ATOM 309 CB ARG A 20 -0.943 -1.519 -5.331 1.00 0.00 C ATOM 310 CG ARG A 20 -1.878 -1.439 -6.524 1.00 0.00 C ATOM 311 CD ARG A 20 -2.257 -0.002 -6.845 1.00 0.00 C ATOM 312 NE ARG A 20 -1.276 0.648 -7.715 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.135 0.390 -9.014 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.900 -0.515 -9.614 1.00 0.00 N ATOM 315 NH2 ARG A 20 -0.228 1.053 -9.717 1.00 0.00 N ATOM 0 H ARG A 20 -1.835 -3.699 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 20 0.261 -3.081 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.517 -1.355 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.213 -0.713 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.400 -1.892 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.780 -2.016 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.235 0.015 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.349 0.563 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.659 1.345 -7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.606 -1.022 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.782 -0.703 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.356 1.755 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.114 0.861 -10.712 1.00 0.00 H new ATOM 329 N ALA A 21 0.523 -2.889 -2.911 1.00 0.00 N ATOM 330 CA ALA A 21 1.490 -2.800 -1.827 1.00 0.00 C ATOM 331 C ALA A 21 2.354 -4.054 -1.763 1.00 0.00 C ATOM 332 O ALA A 21 3.346 -4.089 -1.044 1.00 0.00 O ATOM 333 CB ALA A 21 0.788 -2.573 -0.498 1.00 0.00 C ATOM 0 H ALA A 21 -0.437 -3.059 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 21 2.139 -1.947 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.529 -2.510 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.220 -1.643 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.110 -3.403 -0.298 1.00 0.00 H new ATOM 339 N ALA A 22 1.991 -5.073 -2.534 1.00 0.00 N ATOM 340 CA ALA A 22 2.743 -6.323 -2.523 1.00 0.00 C ATOM 341 C ALA A 22 4.076 -6.157 -3.256 1.00 0.00 C ATOM 342 O ALA A 22 5.132 -6.423 -2.680 1.00 0.00 O ATOM 343 CB ALA A 22 1.925 -7.471 -3.108 1.00 0.00 C ATOM 0 H ALA A 22 1.191 -5.060 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 22 2.958 -6.577 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.515 -8.387 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.018 -7.608 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.657 -7.238 -4.139 1.00 0.00 H new ATOM 349 N PRO A 23 4.071 -5.709 -4.534 1.00 0.00 N ATOM 350 CA PRO A 23 5.309 -5.401 -5.245 1.00 0.00 C ATOM 351 C PRO A 23 6.013 -4.203 -4.629 1.00 0.00 C ATOM 352 O PRO A 23 7.237 -4.112 -4.650 1.00 0.00 O ATOM 353 CB PRO A 23 4.859 -5.083 -6.679 1.00 0.00 C ATOM 354 CG PRO A 23 3.462 -5.591 -6.774 1.00 0.00 C ATOM 355 CD PRO A 23 2.892 -5.493 -5.390 1.00 0.00 C ATOM 0 HA PRO A 23 6.021 -6.225 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.902 -4.012 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.505 -5.568 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.879 -4.999 -7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.445 -6.621 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.434 -4.521 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.123 -6.245 -5.216 1.00 0.00 H new ATOM 363 N PHE A 24 5.227 -3.299 -4.060 1.00 0.00 N ATOM 364 CA PHE A 24 5.768 -2.126 -3.390 1.00 0.00 C ATOM 365 C PHE A 24 6.564 -2.535 -2.154 1.00 0.00 C ATOM 366 O PHE A 24 7.655 -2.022 -1.910 1.00 0.00 O ATOM 367 CB PHE A 24 4.637 -1.167 -3.001 1.00 0.00 C ATOM 368 CG PHE A 24 5.087 0.237 -2.687 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.323 0.704 -3.111 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.266 1.091 -1.966 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.728 1.992 -2.818 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.669 2.378 -1.672 1.00 0.00 C ATOM 373 CZ PHE A 24 5.900 2.830 -2.099 1.00 0.00 C ATOM 0 H PHE A 24 4.209 -3.357 -4.050 1.00 0.00 H new ATOM 0 HA PHE A 24 6.439 -1.614 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.914 -1.129 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.118 -1.571 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.975 0.054 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.300 0.745 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.693 2.343 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.020 3.031 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.215 3.838 -1.871 1.00 0.00 H new ATOM 383 N ASN A 25 6.030 -3.478 -1.394 1.00 0.00 N ATOM 384 CA ASN A 25 6.713 -3.960 -0.201 1.00 0.00 C ATOM 385 C ASN A 25 7.908 -4.801 -0.595 1.00 0.00 C ATOM 386 O ASN A 25 8.911 -4.858 0.113 1.00 0.00 O ATOM 387 CB ASN A 25 5.772 -4.775 0.686 1.00 0.00 C ATOM 388 CG ASN A 25 6.385 -5.095 2.039 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.866 -4.206 2.743 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.376 -6.367 2.411 1.00 0.00 N ATOM 0 H ASN A 25 5.131 -3.923 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 25 7.050 -3.094 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.844 -4.222 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.512 -5.704 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.777 -6.639 3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.968 -7.074 1.800 1.00 0.00 H new ATOM 397 N ASN A 26 7.801 -5.418 -1.755 1.00 0.00 N ATOM 398 CA ASN A 26 8.867 -6.259 -2.275 1.00 0.00 C ATOM 399 C ASN A 26 10.006 -5.378 -2.753 1.00 0.00 C ATOM 400 O ASN A 26 11.178 -5.718 -2.623 1.00 0.00 O ATOM 401 CB ASN A 26 8.357 -7.136 -3.416 1.00 0.00 C ATOM 402 CG ASN A 26 8.059 -8.553 -2.967 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.958 -9.387 -2.878 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.795 -8.830 -2.676 1.00 0.00 N ATOM 0 H ASN A 26 6.983 -5.354 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 26 9.223 -6.917 -1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.454 -6.693 -3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.100 -7.159 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.537 -9.766 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.081 -8.107 -2.764 1.00 0.00 H new ATOM 411 N TRP A 27 9.631 -4.234 -3.302 1.00 0.00 N ATOM 412 CA TRP A 27 10.584 -3.219 -3.704 1.00 0.00 C ATOM 413 C TRP A 27 11.269 -2.645 -2.472 1.00 0.00 C ATOM 414 O TRP A 27 12.489 -2.587 -2.407 1.00 0.00 O ATOM 415 CB TRP A 27 9.858 -2.120 -4.489 1.00 0.00 C ATOM 416 CG TRP A 27 10.714 -0.951 -4.868 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.538 -0.852 -5.951 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.820 0.291 -4.169 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.144 0.382 -5.969 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.722 1.100 -4.882 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.236 0.795 -3.007 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.055 2.385 -4.468 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.566 2.069 -2.596 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.467 2.852 -3.325 1.00 0.00 C ATOM 0 H TRP A 27 8.658 -3.986 -3.480 1.00 0.00 H new ATOM 0 HA TRP A 27 11.346 -3.659 -4.347 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.440 -2.556 -5.396 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.019 -1.760 -3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.692 -1.628 -6.686 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.801 0.709 -6.677 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.538 0.198 -2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.752 2.991 -5.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.122 2.469 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.703 3.847 -2.978 1.00 0.00 H new ATOM 435 N MET A 28 10.466 -2.242 -1.492 1.00 0.00 N ATOM 436 CA MET A 28 10.984 -1.676 -0.248 1.00 0.00 C ATOM 437 C MET A 28 11.968 -2.624 0.426 1.00 0.00 C ATOM 438 O MET A 28 13.073 -2.225 0.791 1.00 0.00 O ATOM 439 CB MET A 28 9.836 -1.362 0.716 1.00 0.00 C ATOM 440 CG MET A 28 9.027 -0.143 0.321 1.00 0.00 C ATOM 441 SD MET A 28 8.208 0.627 1.726 1.00 0.00 S ATOM 442 CE MET A 28 7.478 2.047 0.918 1.00 0.00 C ATOM 0 H MET A 28 9.448 -2.297 -1.535 1.00 0.00 H new ATOM 0 HA MET A 28 11.509 -0.755 -0.501 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.173 -2.225 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.244 -1.209 1.715 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.683 0.585 -0.157 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.279 -0.431 -0.418 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.455 2.888 1.611 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.072 2.313 0.044 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.462 1.806 0.606 1.00 0.00 H new ATOM 452 N GLU A 29 11.560 -3.878 0.568 1.00 0.00 N ATOM 453 CA GLU A 29 12.366 -4.891 1.235 1.00 0.00 C ATOM 454 C GLU A 29 13.716 -5.065 0.549 1.00 0.00 C ATOM 455 O GLU A 29 14.745 -5.197 1.205 1.00 0.00 O ATOM 456 CB GLU A 29 11.608 -6.217 1.251 1.00 0.00 C ATOM 457 CG GLU A 29 11.557 -6.884 2.616 1.00 0.00 C ATOM 458 CD GLU A 29 11.181 -5.932 3.736 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.081 -5.250 4.270 1.00 0.00 O ATOM 460 OE2 GLU A 29 9.989 -5.880 4.104 1.00 0.00 O ATOM 0 H GLU A 29 10.663 -4.221 0.225 1.00 0.00 H new ATOM 0 HA GLU A 29 12.553 -4.564 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.589 -6.045 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.076 -6.900 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.837 -7.702 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.530 -7.324 2.834 1.00 0.00 H new ATOM 467 N SER A 30 13.711 -5.063 -0.774 1.00 0.00 N ATOM 468 CA SER A 30 14.938 -5.233 -1.527 1.00 0.00 C ATOM 469 C SER A 30 15.745 -3.937 -1.577 1.00 0.00 C ATOM 470 O SER A 30 16.972 -3.962 -1.522 1.00 0.00 O ATOM 471 CB SER A 30 14.616 -5.705 -2.940 1.00 0.00 C ATOM 472 OG SER A 30 13.773 -6.845 -2.914 1.00 0.00 O ATOM 0 H SER A 30 12.874 -4.946 -1.345 1.00 0.00 H new ATOM 0 HA SER A 30 15.545 -5.985 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.131 -4.902 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.540 -5.943 -3.467 1.00 0.00 H new ATOM 0 HG SER A 30 12.839 -6.560 -2.829 1.00 0.00 H new ATOM 478 N ALA A 31 15.050 -2.811 -1.663 1.00 0.00 N ATOM 479 CA ALA A 31 15.709 -1.521 -1.825 1.00 0.00 C ATOM 480 C ALA A 31 16.309 -1.020 -0.522 1.00 0.00 C ATOM 481 O ALA A 31 17.490 -0.680 -0.468 1.00 0.00 O ATOM 482 CB ALA A 31 14.734 -0.494 -2.375 1.00 0.00 C ATOM 0 H ALA A 31 14.032 -2.764 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 31 16.525 -1.662 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.241 0.464 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.363 -0.827 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.897 -0.381 -1.686 1.00 0.00 H new ATOM 488 N MET A 32 15.503 -0.984 0.532 1.00 0.00 N ATOM 489 CA MET A 32 15.951 -0.446 1.810 1.00 0.00 C ATOM 490 C MET A 32 17.062 -1.303 2.395 1.00 0.00 C ATOM 491 O MET A 32 18.010 -0.789 2.985 1.00 0.00 O ATOM 492 CB MET A 32 14.790 -0.355 2.798 1.00 0.00 C ATOM 493 CG MET A 32 14.913 0.819 3.749 1.00 0.00 C ATOM 494 SD MET A 32 14.733 0.337 5.475 1.00 0.00 S ATOM 495 CE MET A 32 13.042 0.835 5.776 1.00 0.00 C ATOM 0 H MET A 32 14.540 -1.319 0.527 1.00 0.00 H new ATOM 0 HA MET A 32 16.338 0.557 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.855 -0.271 2.245 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.737 -1.279 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 32 15.883 1.295 3.608 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.155 1.562 3.503 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.817 0.737 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.909 1.873 5.472 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.368 0.199 5.202 1.00 0.00 H new ATOM 505 N GLU A 33 16.952 -2.607 2.202 1.00 0.00 N ATOM 506 CA GLU A 33 17.967 -3.532 2.671 1.00 0.00 C ATOM 507 C GLU A 33 19.260 -3.327 1.902 1.00 0.00 C ATOM 508 O GLU A 33 20.340 -3.339 2.482 1.00 0.00 O ATOM 509 CB GLU A 33 17.492 -4.970 2.509 1.00 0.00 C ATOM 510 CG GLU A 33 18.164 -5.935 3.465 1.00 0.00 C ATOM 511 CD GLU A 33 17.205 -6.503 4.485 1.00 0.00 C ATOM 512 OE1 GLU A 33 16.686 -5.730 5.313 1.00 0.00 O ATOM 513 OE2 GLU A 33 16.968 -7.728 4.461 1.00 0.00 O ATOM 0 H GLU A 33 16.167 -3.048 1.722 1.00 0.00 H new ATOM 0 HA GLU A 33 18.147 -3.338 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.414 -5.009 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.679 -5.294 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.611 -6.751 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.977 -5.423 3.981 1.00 0.00 H new ATOM 520 N ASP A 34 19.140 -3.120 0.594 1.00 0.00 N ATOM 521 CA ASP A 34 20.306 -2.903 -0.253 1.00 0.00 C ATOM 522 C ASP A 34 20.953 -1.566 0.074 1.00 0.00 C ATOM 523 O ASP A 34 22.169 -1.408 -0.023 1.00 0.00 O ATOM 524 CB ASP A 34 19.907 -2.946 -1.731 1.00 0.00 C ATOM 525 CG ASP A 34 21.087 -3.195 -2.654 1.00 0.00 C ATOM 526 OD1 ASP A 34 21.991 -3.971 -2.282 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.114 -2.610 -3.759 1.00 0.00 O ATOM 0 H ASP A 34 18.248 -3.098 0.099 1.00 0.00 H new ATOM 0 HA ASP A 34 21.026 -3.699 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.164 -3.730 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.433 -2.003 -2.002 1.00 0.00 H new ATOM 532 N LEU A 35 20.127 -0.608 0.475 1.00 0.00 N ATOM 533 CA LEU A 35 20.606 0.720 0.846 1.00 0.00 C ATOM 534 C LEU A 35 21.287 0.690 2.209 1.00 0.00 C ATOM 535 O LEU A 35 22.269 1.394 2.441 1.00 0.00 O ATOM 536 CB LEU A 35 19.446 1.714 0.874 1.00 0.00 C ATOM 537 CG LEU A 35 19.381 2.681 -0.310 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.054 1.933 -1.593 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.351 3.765 -0.052 1.00 0.00 C ATOM 0 H LEU A 35 19.117 -0.726 0.552 1.00 0.00 H new ATOM 0 HA LEU A 35 21.333 1.037 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.511 1.155 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.511 2.296 1.793 1.00 0.00 H new ATOM 0 HG LEU A 35 20.358 3.151 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.012 2.637 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 19.826 1.188 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.089 1.437 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.317 4.445 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.371 3.310 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.624 4.321 0.845 1.00 0.00 H new ATOM 551 N GLN A 36 20.744 -0.121 3.106 1.00 0.00 N ATOM 552 CA GLN A 36 21.261 -0.230 4.460 1.00 0.00 C ATOM 553 C GLN A 36 22.506 -1.106 4.525 1.00 0.00 C ATOM 554 O GLN A 36 23.418 -0.840 5.309 1.00 0.00 O ATOM 555 CB GLN A 36 20.191 -0.811 5.377 1.00 0.00 C ATOM 556 CG GLN A 36 20.120 -0.121 6.723 1.00 0.00 C ATOM 557 CD GLN A 36 18.716 0.316 7.081 1.00 0.00 C ATOM 558 OE1 GLN A 36 17.726 -0.373 6.538 1.00 0.00 O flip ATOM 559 NE2 GLN A 36 18.523 1.261 7.845 1.00 0.00 N flip ATOM 0 H GLN A 36 19.939 -0.717 2.916 1.00 0.00 H new ATOM 0 HA GLN A 36 21.535 0.773 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.221 -0.736 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.390 -1.872 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.494 -0.796 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.776 0.749 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.315 1.766 8.242 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.571 1.539 8.081 1.00 0.00 H new ATOM 568 N ASP A 37 22.532 -2.155 3.717 1.00 0.00 N ATOM 569 CA ASP A 37 23.623 -3.118 3.757 1.00 0.00 C ATOM 570 C ASP A 37 24.879 -2.564 3.099 1.00 0.00 C ATOM 571 O ASP A 37 24.809 -1.728 2.196 1.00 0.00 O ATOM 572 CB ASP A 37 23.221 -4.426 3.077 1.00 0.00 C ATOM 573 CG ASP A 37 24.099 -5.581 3.501 1.00 0.00 C ATOM 574 OD1 ASP A 37 24.478 -5.635 4.689 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.421 -6.433 2.650 1.00 0.00 O ATOM 0 H ASP A 37 21.811 -2.361 3.026 1.00 0.00 H new ATOM 0 HA ASP A 37 23.841 -3.315 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.182 -4.654 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 37 23.280 -4.305 1.995 1.00 0.00 H new ATOM 580 N MET A 38 26.027 -3.038 3.558 1.00 0.00 N ATOM 581 CA MET A 38 27.305 -2.598 3.030 1.00 0.00 C ATOM 582 C MET A 38 27.571 -3.234 1.677 1.00 0.00 C ATOM 583 O MET A 38 27.898 -4.420 1.589 1.00 0.00 O ATOM 584 CB MET A 38 28.434 -2.945 3.996 1.00 0.00 C ATOM 585 CG MET A 38 28.808 -1.809 4.930 1.00 0.00 C ATOM 586 SD MET A 38 27.642 -1.626 6.293 1.00 0.00 S ATOM 587 CE MET A 38 26.905 -0.040 5.906 1.00 0.00 C ATOM 0 H MET A 38 26.097 -3.733 4.301 1.00 0.00 H new ATOM 0 HA MET A 38 27.266 -1.515 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.139 -3.810 4.590 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.314 -3.237 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.806 -1.986 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 38 28.852 -0.878 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 38 26.161 0.210 6.663 1.00 0.00 H new ATOM 0 HE2 MET A 38 27.679 0.727 5.891 1.00 0.00 H new ATOM 0 HE3 MET A 38 26.425 -0.090 4.928 1.00 0.00 H new ATOM 597 N PHE A 39 27.414 -2.444 0.629 1.00 0.00 N ATOM 598 CA PHE A 39 27.692 -2.898 -0.723 1.00 0.00 C ATOM 599 C PHE A 39 29.173 -3.226 -0.874 1.00 0.00 C ATOM 600 O PHE A 39 30.030 -2.490 -0.384 1.00 0.00 O ATOM 601 CB PHE A 39 27.284 -1.832 -1.757 1.00 0.00 C ATOM 602 CG PHE A 39 27.848 -0.457 -1.492 1.00 0.00 C ATOM 603 CD1 PHE A 39 27.185 0.430 -0.658 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.040 -0.053 -2.081 1.00 0.00 C ATOM 605 CE1 PHE A 39 27.699 1.689 -0.412 1.00 0.00 C ATOM 606 CE2 PHE A 39 29.556 1.205 -1.839 1.00 0.00 C ATOM 607 CZ PHE A 39 28.884 2.076 -1.004 1.00 0.00 C ATOM 0 H PHE A 39 27.093 -1.478 0.689 1.00 0.00 H new ATOM 0 HA PHE A 39 27.105 -3.798 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 39 27.607 -2.160 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.196 -1.766 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 39 26.255 0.133 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.569 -0.730 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.174 2.369 0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.484 1.507 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.286 3.060 -0.814 1.00 0.00 H new ATOM 617 N ILE A 40 29.471 -4.337 -1.515 1.00 0.00 N ATOM 618 CA ILE A 40 30.848 -4.680 -1.801 1.00 0.00 C ATOM 619 C ILE A 40 31.153 -4.426 -3.274 1.00 0.00 C ATOM 620 O ILE A 40 30.371 -4.775 -4.160 1.00 0.00 O ATOM 621 CB ILE A 40 31.174 -6.141 -1.408 1.00 0.00 C ATOM 622 CG1 ILE A 40 32.682 -6.309 -1.213 1.00 0.00 C ATOM 623 CG2 ILE A 40 30.660 -7.122 -2.446 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.195 -5.728 0.086 1.00 0.00 C ATOM 0 H ILE A 40 28.783 -5.014 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 40 31.488 -4.040 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 40 30.668 -6.359 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 40 32.928 -7.370 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 40 33.202 -5.833 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 40 30.906 -8.139 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 29.578 -7.022 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.126 -6.911 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.272 -5.885 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 40 32.981 -4.660 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 40 32.703 -6.221 0.924 1.00 0.00 H new ATOM 636 N VAL A 41 32.266 -3.762 -3.525 1.00 0.00 N ATOM 637 CA VAL A 41 32.691 -3.471 -4.882 1.00 0.00 C ATOM 638 C VAL A 41 34.115 -3.949 -5.090 1.00 0.00 C ATOM 639 O VAL A 41 34.874 -4.105 -4.132 1.00 0.00 O ATOM 640 CB VAL A 41 32.603 -1.963 -5.213 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.178 -1.459 -5.072 1.00 0.00 C ATOM 642 CG2 VAL A 41 33.550 -1.152 -4.338 1.00 0.00 C ATOM 0 H VAL A 41 32.895 -3.412 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 41 32.014 -3.999 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 41 32.909 -1.833 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.143 -0.396 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.529 -2.006 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 41 30.837 -1.613 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 41 33.466 -0.096 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 41 33.288 -1.294 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 41 34.574 -1.485 -4.504 1.00 0.00 H new ATOM 652 N HIS A 42 34.466 -4.204 -6.334 1.00 0.00 N ATOM 653 CA HIS A 42 35.816 -4.606 -6.690 1.00 0.00 C ATOM 654 C HIS A 42 36.410 -3.583 -7.635 1.00 0.00 C ATOM 655 O HIS A 42 37.487 -3.038 -7.393 1.00 0.00 O ATOM 656 CB HIS A 42 35.828 -5.984 -7.373 1.00 0.00 C ATOM 657 CG HIS A 42 34.850 -6.963 -6.803 1.00 0.00 C ATOM 658 ND1 HIS A 42 33.605 -7.184 -7.349 1.00 0.00 N ATOM 659 CD2 HIS A 42 34.930 -7.771 -5.722 1.00 0.00 C ATOM 660 CE1 HIS A 42 32.961 -8.079 -6.629 1.00 0.00 C ATOM 661 NE2 HIS A 42 33.741 -8.452 -5.633 1.00 0.00 N ATOM 0 H HIS A 42 33.827 -4.139 -7.126 1.00 0.00 H new ATOM 0 HA HIS A 42 36.404 -4.669 -5.775 1.00 0.00 H new ATOM 0 HB2 HIS A 42 35.616 -5.852 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 42 36.831 -6.405 -7.298 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.238 -6.725 -8.183 1.00 0.00 H new ATOM 0 HD2 HIS A 42 35.773 -7.864 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 42 31.963 -8.445 -6.821 1.00 0.00 H new ATOM 670 N THR A 43 35.671 -3.299 -8.693 1.00 0.00 N ATOM 671 CA THR A 43 36.167 -2.465 -9.765 1.00 0.00 C ATOM 672 C THR A 43 35.297 -1.227 -9.962 1.00 0.00 C ATOM 673 O THR A 43 34.131 -1.195 -9.556 1.00 0.00 O ATOM 674 CB THR A 43 36.221 -3.271 -11.069 1.00 0.00 C ATOM 675 OG1 THR A 43 35.388 -4.430 -10.952 1.00 0.00 O ATOM 676 CG2 THR A 43 37.644 -3.706 -11.369 1.00 0.00 C ATOM 0 H THR A 43 34.719 -3.638 -8.830 1.00 0.00 H new ATOM 0 HA THR A 43 37.169 -2.133 -9.494 1.00 0.00 H new ATOM 0 HB THR A 43 35.866 -2.639 -11.883 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.422 -4.943 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.662 -4.276 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.280 -2.826 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.014 -4.328 -10.554 1.00 0.00 H new ATOM 684 N ILE A 44 35.884 -0.211 -10.593 1.00 0.00 N ATOM 685 CA ILE A 44 35.206 1.051 -10.870 1.00 0.00 C ATOM 686 C ILE A 44 33.874 0.838 -11.593 1.00 0.00 C ATOM 687 O ILE A 44 32.899 1.533 -11.323 1.00 0.00 O ATOM 688 CB ILE A 44 36.110 1.990 -11.710 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.285 3.158 -12.279 1.00 0.00 C ATOM 690 CG2 ILE A 44 36.826 1.211 -12.811 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.240 3.243 -13.794 1.00 0.00 C ATOM 0 H ILE A 44 36.847 -0.242 -10.927 1.00 0.00 H new ATOM 0 HA ILE A 44 34.999 1.517 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 44 36.878 2.411 -11.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 34.264 3.076 -11.906 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.692 4.092 -11.891 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.454 1.890 -13.387 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.446 0.435 -12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.089 0.751 -13.470 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.634 4.099 -14.093 1.00 0.00 H new ATOM 0 HD12 ILE A 44 36.252 3.361 -14.182 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.802 2.330 -14.197 1.00 0.00 H new ATOM 703 N GLU A 45 33.832 -0.133 -12.497 1.00 0.00 N ATOM 704 CA GLU A 45 32.628 -0.403 -13.279 1.00 0.00 C ATOM 705 C GLU A 45 31.433 -0.704 -12.379 1.00 0.00 C ATOM 706 O GLU A 45 30.336 -0.194 -12.600 1.00 0.00 O ATOM 707 CB GLU A 45 32.870 -1.565 -14.237 1.00 0.00 C ATOM 708 CG GLU A 45 32.837 -1.153 -15.700 1.00 0.00 C ATOM 709 CD GLU A 45 31.478 -1.352 -16.338 1.00 0.00 C ATOM 710 OE1 GLU A 45 30.469 -1.418 -15.607 1.00 0.00 O ATOM 711 OE2 GLU A 45 31.411 -1.446 -17.582 1.00 0.00 O ATOM 0 H GLU A 45 34.618 -0.748 -12.708 1.00 0.00 H new ATOM 0 HA GLU A 45 32.397 0.493 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.838 -2.015 -14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.115 -2.332 -14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.122 -0.104 -15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.580 -1.730 -16.251 1.00 0.00 H new ATOM 718 N GLU A 46 31.650 -1.510 -11.346 1.00 0.00 N ATOM 719 CA GLU A 46 30.571 -1.850 -10.428 1.00 0.00 C ATOM 720 C GLU A 46 30.233 -0.660 -9.551 1.00 0.00 C ATOM 721 O GLU A 46 29.074 -0.441 -9.208 1.00 0.00 O ATOM 722 CB GLU A 46 30.946 -3.049 -9.559 1.00 0.00 C ATOM 723 CG GLU A 46 31.615 -4.173 -10.323 1.00 0.00 C ATOM 724 CD GLU A 46 32.505 -5.011 -9.441 1.00 0.00 C ATOM 725 OE1 GLU A 46 33.135 -4.447 -8.529 1.00 0.00 O ATOM 726 OE2 GLU A 46 32.575 -6.241 -9.648 1.00 0.00 O ATOM 0 H GLU A 46 32.551 -1.935 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 46 29.696 -2.117 -11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.613 -2.715 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.046 -3.434 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 46 30.852 -4.808 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.205 -3.755 -11.139 1.00 0.00 H new ATOM 733 N ILE A 47 31.248 0.120 -9.211 1.00 0.00 N ATOM 734 CA ILE A 47 31.047 1.316 -8.419 1.00 0.00 C ATOM 735 C ILE A 47 30.226 2.319 -9.218 1.00 0.00 C ATOM 736 O ILE A 47 29.335 2.966 -8.682 1.00 0.00 O ATOM 737 CB ILE A 47 32.401 1.928 -7.951 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.448 2.000 -6.423 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.653 3.310 -8.547 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.220 2.635 -5.802 1.00 0.00 C ATOM 0 H ILE A 47 32.218 -0.057 -9.473 1.00 0.00 H new ATOM 0 HA ILE A 47 30.498 1.051 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 47 33.192 1.270 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.565 0.992 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.330 2.566 -6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.609 3.692 -8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.675 3.239 -9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.855 3.988 -8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.327 2.650 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.112 3.655 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.336 2.057 -6.071 1.00 0.00 H new ATOM 752 N GLU A 48 30.498 2.388 -10.517 1.00 0.00 N ATOM 753 CA GLU A 48 29.784 3.288 -11.410 1.00 0.00 C ATOM 754 C GLU A 48 28.350 2.819 -11.580 1.00 0.00 C ATOM 755 O GLU A 48 27.420 3.625 -11.663 1.00 0.00 O ATOM 756 CB GLU A 48 30.478 3.340 -12.770 1.00 0.00 C ATOM 757 CG GLU A 48 31.404 4.532 -12.942 1.00 0.00 C ATOM 758 CD GLU A 48 31.442 5.045 -14.367 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.660 4.554 -15.210 1.00 0.00 O ATOM 760 OE2 GLU A 48 32.262 5.944 -14.652 1.00 0.00 O ATOM 0 H GLU A 48 31.214 1.825 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 48 29.783 4.288 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.051 2.424 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.720 3.365 -13.553 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.081 5.335 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.411 4.251 -12.635 1.00 0.00 H new ATOM 767 N GLY A 49 28.179 1.505 -11.601 1.00 0.00 N ATOM 768 CA GLY A 49 26.860 0.927 -11.743 1.00 0.00 C ATOM 769 C GLY A 49 26.050 1.121 -10.487 1.00 0.00 C ATOM 770 O GLY A 49 24.849 1.376 -10.536 1.00 0.00 O ATOM 0 H GLY A 49 28.936 0.826 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.346 1.387 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.947 -0.137 -11.964 1.00 0.00 H new ATOM 774 N LEU A 50 26.734 1.016 -9.357 1.00 0.00 N ATOM 775 CA LEU A 50 26.145 1.290 -8.056 1.00 0.00 C ATOM 776 C LEU A 50 25.548 2.695 -8.021 1.00 0.00 C ATOM 777 O LEU A 50 24.425 2.895 -7.553 1.00 0.00 O ATOM 778 CB LEU A 50 27.213 1.156 -6.973 1.00 0.00 C ATOM 779 CG LEU A 50 26.967 0.078 -5.915 1.00 0.00 C ATOM 780 CD1 LEU A 50 25.504 -0.342 -5.882 1.00 0.00 C ATOM 781 CD2 LEU A 50 27.864 -1.124 -6.165 1.00 0.00 C ATOM 0 H LEU A 50 27.715 0.738 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 50 25.347 0.570 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.168 0.951 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.312 2.117 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 50 27.213 0.501 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.363 -1.109 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.883 0.522 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.218 -0.741 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.677 -1.882 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.651 -1.539 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 50 28.908 -0.814 -6.120 1.00 0.00 H new ATOM 793 N ILE A 51 26.302 3.667 -8.529 1.00 0.00 N ATOM 794 CA ILE A 51 25.817 5.049 -8.577 1.00 0.00 C ATOM 795 C ILE A 51 24.676 5.183 -9.578 1.00 0.00 C ATOM 796 O ILE A 51 23.686 5.864 -9.314 1.00 0.00 O ATOM 797 CB ILE A 51 26.909 6.084 -8.948 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.299 5.622 -8.504 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.577 7.437 -8.332 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.528 5.682 -7.009 1.00 0.00 C ATOM 0 H ILE A 51 27.239 3.530 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 51 25.480 5.269 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 51 26.926 6.179 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.454 4.598 -8.842 1.00 0.00 H new ATOM 0 HG13 ILE A 51 29.049 6.238 -9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.350 8.158 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.614 7.782 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.529 7.341 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.537 5.338 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.408 6.709 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 27.804 5.043 -6.504 1.00 0.00 H new ATOM 812 N SER A 52 24.818 4.519 -10.720 1.00 0.00 N ATOM 813 CA SER A 52 23.799 4.549 -11.761 1.00 0.00 C ATOM 814 C SER A 52 22.469 4.008 -11.237 1.00 0.00 C ATOM 815 O SER A 52 21.415 4.607 -11.455 1.00 0.00 O ATOM 816 CB SER A 52 24.261 3.740 -12.972 1.00 0.00 C ATOM 817 OG SER A 52 25.516 4.206 -13.444 1.00 0.00 O ATOM 0 H SER A 52 25.634 3.951 -10.948 1.00 0.00 H new ATOM 0 HA SER A 52 23.648 5.585 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.338 2.687 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.519 3.813 -13.767 1.00 0.00 H new ATOM 0 HG SER A 52 26.237 3.758 -12.954 1.00 0.00 H new ATOM 823 N ALA A 53 22.532 2.891 -10.521 1.00 0.00 N ATOM 824 CA ALA A 53 21.344 2.286 -9.932 1.00 0.00 C ATOM 825 C ALA A 53 20.747 3.195 -8.862 1.00 0.00 C ATOM 826 O ALA A 53 19.545 3.173 -8.614 1.00 0.00 O ATOM 827 CB ALA A 53 21.683 0.923 -9.348 1.00 0.00 C ATOM 0 H ALA A 53 23.397 2.385 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 53 20.599 2.154 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.787 0.481 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.060 0.273 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.445 1.037 -8.577 1.00 0.00 H new ATOM 833 N HIS A 54 21.595 3.999 -8.232 1.00 0.00 N ATOM 834 CA HIS A 54 21.146 4.944 -7.219 1.00 0.00 C ATOM 835 C HIS A 54 20.468 6.144 -7.870 1.00 0.00 C ATOM 836 O HIS A 54 19.539 6.720 -7.307 1.00 0.00 O ATOM 837 CB HIS A 54 22.319 5.412 -6.356 1.00 0.00 C ATOM 838 CG HIS A 54 21.906 5.890 -4.998 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.763 5.459 -4.360 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.498 6.763 -4.150 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.671 6.046 -3.183 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.710 6.842 -3.028 1.00 0.00 N ATOM 0 H HIS A 54 22.600 4.015 -8.406 1.00 0.00 H new ATOM 0 HA HIS A 54 20.424 4.435 -6.580 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.028 4.592 -6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.842 6.217 -6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.420 7.299 -4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.877 5.899 -2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.898 7.421 -2.210 1.00 0.00 H new ATOM 851 N ASP A 55 20.937 6.509 -9.054 1.00 0.00 N ATOM 852 CA ASP A 55 20.345 7.615 -9.795 1.00 0.00 C ATOM 853 C ASP A 55 19.011 7.199 -10.391 1.00 0.00 C ATOM 854 O ASP A 55 18.049 7.965 -10.366 1.00 0.00 O ATOM 855 CB ASP A 55 21.278 8.096 -10.900 1.00 0.00 C ATOM 856 CG ASP A 55 20.781 9.373 -11.546 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.770 10.423 -10.871 1.00 0.00 O ATOM 858 OD2 ASP A 55 20.408 9.335 -12.737 1.00 0.00 O ATOM 0 H ASP A 55 21.723 6.058 -9.522 1.00 0.00 H new ATOM 0 HA ASP A 55 20.184 8.437 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.273 8.262 -10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.373 7.319 -11.658 1.00 0.00 H new ATOM 863 N GLN A 56 18.961 5.981 -10.919 1.00 0.00 N ATOM 864 CA GLN A 56 17.714 5.407 -11.406 1.00 0.00 C ATOM 865 C GLN A 56 16.753 5.212 -10.243 1.00 0.00 C ATOM 866 O GLN A 56 15.534 5.285 -10.399 1.00 0.00 O ATOM 867 CB GLN A 56 17.974 4.076 -12.103 1.00 0.00 C ATOM 868 CG GLN A 56 18.170 4.209 -13.601 1.00 0.00 C ATOM 869 CD GLN A 56 16.940 3.804 -14.393 1.00 0.00 C ATOM 870 OE1 GLN A 56 15.886 3.507 -13.827 1.00 0.00 O ATOM 871 NE2 GLN A 56 17.064 3.788 -15.711 1.00 0.00 N ATOM 0 H GLN A 56 19.772 5.371 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 56 17.269 6.091 -12.129 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.860 3.613 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.137 3.404 -11.912 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.426 5.241 -13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.014 3.592 -13.909 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.953 4.040 -16.143 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.271 3.523 -16.295 1.00 0.00 H new ATOM 880 N PHE A 57 17.323 4.972 -9.071 1.00 0.00 N ATOM 881 CA PHE A 57 16.555 4.875 -7.840 1.00 0.00 C ATOM 882 C PHE A 57 15.851 6.197 -7.573 1.00 0.00 C ATOM 883 O PHE A 57 14.703 6.229 -7.143 1.00 0.00 O ATOM 884 CB PHE A 57 17.487 4.518 -6.676 1.00 0.00 C ATOM 885 CG PHE A 57 16.785 4.084 -5.423 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.034 2.922 -5.396 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.887 4.840 -4.268 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.397 2.523 -4.239 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.251 4.446 -3.108 1.00 0.00 C ATOM 890 CZ PHE A 57 15.505 3.285 -3.093 1.00 0.00 C ATOM 0 H PHE A 57 18.327 4.840 -8.948 1.00 0.00 H new ATOM 0 HA PHE A 57 15.804 4.091 -7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.157 3.720 -6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.109 5.384 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.946 2.322 -6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.471 5.749 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.814 1.614 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.337 5.045 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.007 2.973 -2.187 1.00 0.00 H new ATOM 900 N LYS A 58 16.542 7.287 -7.875 1.00 0.00 N ATOM 901 CA LYS A 58 15.991 8.625 -7.708 1.00 0.00 C ATOM 902 C LYS A 58 14.902 8.906 -8.733 1.00 0.00 C ATOM 903 O LYS A 58 14.160 9.882 -8.613 1.00 0.00 O ATOM 904 CB LYS A 58 17.099 9.671 -7.825 1.00 0.00 C ATOM 905 CG LYS A 58 17.993 9.758 -6.601 1.00 0.00 C ATOM 906 CD LYS A 58 17.214 9.520 -5.319 1.00 0.00 C ATOM 907 CE LYS A 58 16.166 10.598 -5.097 1.00 0.00 C ATOM 908 NZ LYS A 58 16.731 11.800 -4.430 1.00 0.00 N ATOM 0 H LYS A 58 17.494 7.270 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 58 15.546 8.682 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.713 9.440 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.647 10.647 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.794 9.023 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.464 10.740 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.730 8.544 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.901 9.499 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.734 10.886 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.355 10.195 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.090 12.607 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.839 11.614 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.660 12.021 -4.842 1.00 0.00 H new ATOM 922 N SER A 59 14.813 8.049 -9.734 1.00 0.00 N ATOM 923 CA SER A 59 13.786 8.164 -10.758 1.00 0.00 C ATOM 924 C SER A 59 12.610 7.251 -10.425 1.00 0.00 C ATOM 925 O SER A 59 11.459 7.559 -10.727 1.00 0.00 O ATOM 926 CB SER A 59 14.363 7.811 -12.132 1.00 0.00 C ATOM 927 OG SER A 59 15.781 7.811 -12.101 1.00 0.00 O ATOM 0 H SER A 59 15.445 7.258 -9.861 1.00 0.00 H new ATOM 0 HA SER A 59 13.432 9.195 -10.786 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.002 6.830 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.012 8.528 -12.874 1.00 0.00 H new ATOM 0 HG SER A 59 16.128 7.740 -13.015 1.00 0.00 H new ATOM 933 N THR A 60 12.910 6.129 -9.781 1.00 0.00 N ATOM 934 CA THR A 60 11.881 5.205 -9.344 1.00 0.00 C ATOM 935 C THR A 60 11.187 5.737 -8.092 1.00 0.00 C ATOM 936 O THR A 60 10.034 5.400 -7.815 1.00 0.00 O ATOM 937 CB THR A 60 12.468 3.810 -9.054 1.00 0.00 C ATOM 938 OG1 THR A 60 13.526 3.507 -9.975 1.00 0.00 O ATOM 939 CG2 THR A 60 11.395 2.745 -9.159 1.00 0.00 C ATOM 0 H THR A 60 13.861 5.841 -9.551 1.00 0.00 H new ATOM 0 HA THR A 60 11.154 5.113 -10.151 1.00 0.00 H new ATOM 0 HB THR A 60 12.865 3.820 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.237 4.176 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.831 1.768 -8.951 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.605 2.952 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.976 2.748 -10.165 1.00 0.00 H new ATOM 947 N LEU A 61 11.896 6.583 -7.347 1.00 0.00 N ATOM 948 CA LEU A 61 11.363 7.166 -6.123 1.00 0.00 C ATOM 949 C LEU A 61 10.049 7.911 -6.373 1.00 0.00 C ATOM 950 O LEU A 61 9.053 7.598 -5.738 1.00 0.00 O ATOM 951 CB LEU A 61 12.391 8.095 -5.462 1.00 0.00 C ATOM 952 CG LEU A 61 13.424 7.409 -4.562 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.791 8.311 -3.400 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.907 6.081 -4.038 1.00 0.00 C ATOM 0 H LEU A 61 12.845 6.879 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 61 11.152 6.343 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.921 8.636 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.855 8.836 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 61 14.312 7.216 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.526 7.811 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.213 9.241 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.899 8.530 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.664 5.621 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.999 6.247 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.686 5.420 -4.876 1.00 0.00 H new ATOM 966 N PRO A 62 10.008 8.896 -7.303 1.00 0.00 N ATOM 967 CA PRO A 62 8.774 9.639 -7.599 1.00 0.00 C ATOM 968 C PRO A 62 7.626 8.724 -8.016 1.00 0.00 C ATOM 969 O PRO A 62 6.470 8.963 -7.667 1.00 0.00 O ATOM 970 CB PRO A 62 9.172 10.557 -8.758 1.00 0.00 C ATOM 971 CG PRO A 62 10.646 10.696 -8.644 1.00 0.00 C ATOM 972 CD PRO A 62 11.136 9.379 -8.119 1.00 0.00 C ATOM 0 HA PRO A 62 8.407 10.173 -6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.889 10.127 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.677 11.525 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.094 10.924 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.912 11.510 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.373 8.687 -8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.042 9.495 -7.524 1.00 0.00 H new ATOM 980 N ASP A 63 7.957 7.664 -8.744 1.00 0.00 N ATOM 981 CA ASP A 63 6.951 6.720 -9.224 1.00 0.00 C ATOM 982 C ASP A 63 6.379 5.908 -8.072 1.00 0.00 C ATOM 983 O ASP A 63 5.162 5.748 -7.947 1.00 0.00 O ATOM 984 CB ASP A 63 7.560 5.785 -10.271 1.00 0.00 C ATOM 985 CG ASP A 63 6.605 5.485 -11.407 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.726 6.324 -11.689 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.749 4.425 -12.051 1.00 0.00 O ATOM 0 H ASP A 63 8.913 7.435 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 63 6.141 7.288 -9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.467 6.237 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.854 4.851 -9.792 1.00 0.00 H new ATOM 992 N ALA A 64 7.266 5.405 -7.222 1.00 0.00 N ATOM 993 CA ALA A 64 6.860 4.633 -6.059 1.00 0.00 C ATOM 994 C ALA A 64 6.211 5.538 -5.011 1.00 0.00 C ATOM 995 O ALA A 64 5.337 5.109 -4.257 1.00 0.00 O ATOM 996 CB ALA A 64 8.058 3.894 -5.476 1.00 0.00 C ATOM 0 H ALA A 64 8.275 5.520 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 64 6.119 3.896 -6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.742 3.319 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.470 3.219 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.820 4.614 -5.178 1.00 0.00 H new ATOM 1002 N ASP A 65 6.645 6.792 -4.978 1.00 0.00 N ATOM 1003 CA ASP A 65 6.060 7.799 -4.094 1.00 0.00 C ATOM 1004 C ASP A 65 4.586 7.992 -4.429 1.00 0.00 C ATOM 1005 O ASP A 65 3.730 8.015 -3.544 1.00 0.00 O ATOM 1006 CB ASP A 65 6.813 9.127 -4.245 1.00 0.00 C ATOM 1007 CG ASP A 65 6.109 10.303 -3.594 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.206 10.891 -4.230 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.483 10.675 -2.460 1.00 0.00 O ATOM 0 H ASP A 65 7.408 7.141 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 65 6.145 7.459 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.807 9.023 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.950 9.338 -5.305 1.00 0.00 H new ATOM 1014 N ARG A 66 4.307 8.113 -5.719 1.00 0.00 N ATOM 1015 CA ARG A 66 2.941 8.244 -6.203 1.00 0.00 C ATOM 1016 C ARG A 66 2.118 7.017 -5.819 1.00 0.00 C ATOM 1017 O ARG A 66 0.966 7.134 -5.399 1.00 0.00 O ATOM 1018 CB ARG A 66 2.945 8.417 -7.720 1.00 0.00 C ATOM 1019 CG ARG A 66 1.818 9.293 -8.230 1.00 0.00 C ATOM 1020 CD ARG A 66 1.197 8.712 -9.485 1.00 0.00 C ATOM 1021 NE ARG A 66 -0.264 8.717 -9.423 1.00 0.00 N ATOM 1022 CZ ARG A 66 -1.021 7.638 -9.598 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -0.462 6.458 -9.837 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -2.342 7.740 -9.531 1.00 0.00 N ATOM 0 H ARG A 66 5.015 8.123 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 66 2.488 9.122 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.898 8.849 -8.026 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.874 7.436 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.056 9.396 -7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.197 10.293 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.526 9.286 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.551 7.691 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.732 9.604 -9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.553 6.376 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.048 5.634 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.775 8.645 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.925 6.914 -9.665 1.00 0.00 H new ATOM 1038 N GLU A 67 2.735 5.847 -5.947 1.00 0.00 N ATOM 1039 CA GLU A 67 2.094 4.590 -5.583 1.00 0.00 C ATOM 1040 C GLU A 67 1.722 4.579 -4.107 1.00 0.00 C ATOM 1041 O GLU A 67 0.639 4.137 -3.743 1.00 0.00 O ATOM 1042 CB GLU A 67 3.018 3.408 -5.887 1.00 0.00 C ATOM 1043 CG GLU A 67 3.032 3.001 -7.349 1.00 0.00 C ATOM 1044 CD GLU A 67 1.640 2.835 -7.929 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.737 2.354 -7.218 1.00 0.00 O ATOM 1046 OE2 GLU A 67 1.449 3.176 -9.118 1.00 0.00 O ATOM 0 H GLU A 67 3.685 5.744 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 67 1.185 4.495 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.032 3.664 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.709 2.554 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.573 3.752 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.578 2.064 -7.455 1.00 0.00 H new ATOM 1053 N ARG A 68 2.620 5.081 -3.265 1.00 0.00 N ATOM 1054 CA ARG A 68 2.395 5.111 -1.824 1.00 0.00 C ATOM 1055 C ARG A 68 1.118 5.886 -1.484 1.00 0.00 C ATOM 1056 O ARG A 68 0.335 5.465 -0.632 1.00 0.00 O ATOM 1057 CB ARG A 68 3.624 5.709 -1.115 1.00 0.00 C ATOM 1058 CG ARG A 68 3.307 6.726 -0.028 1.00 0.00 C ATOM 1059 CD ARG A 68 3.775 8.114 -0.423 1.00 0.00 C ATOM 1060 NE ARG A 68 4.955 8.533 0.325 1.00 0.00 N ATOM 1061 CZ ARG A 68 5.100 9.747 0.853 1.00 0.00 C ATOM 1062 NH1 ARG A 68 4.158 10.667 0.684 1.00 0.00 N ATOM 1063 NH2 ARG A 68 6.194 10.051 1.535 1.00 0.00 N ATOM 0 H ARG A 68 3.514 5.474 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 68 2.256 4.090 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.202 4.896 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.260 6.184 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.233 6.741 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.788 6.428 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.999 8.130 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.969 8.828 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 68 5.711 7.859 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.319 10.445 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.273 11.596 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.929 9.354 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.302 10.982 1.938 1.00 0.00 H new ATOM 1077 N GLU A 69 0.901 6.999 -2.173 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.292 7.807 -1.952 1.00 0.00 C ATOM 1079 C GLU A 69 -1.515 7.140 -2.574 1.00 0.00 C ATOM 1080 O GLU A 69 -2.594 7.124 -1.984 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.101 9.210 -2.526 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.142 10.304 -1.471 1.00 0.00 C ATOM 1083 CD GLU A 69 1.134 10.383 -0.658 1.00 0.00 C ATOM 1084 OE1 GLU A 69 2.200 10.663 -1.244 1.00 0.00 O ATOM 1085 OE2 GLU A 69 1.081 10.178 0.572 1.00 0.00 O ATOM 0 H GLU A 69 1.533 7.362 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.455 7.891 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.855 9.254 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.878 9.400 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.318 11.264 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.984 10.126 -0.802 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.329 6.563 -3.755 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.407 5.872 -4.460 1.00 0.00 C ATOM 1094 C ALA A 70 -2.795 4.583 -3.740 1.00 0.00 C ATOM 1095 O ALA A 70 -3.857 4.011 -3.983 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.987 5.579 -5.892 1.00 0.00 C ATOM 0 H ALA A 70 -0.437 6.559 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.282 6.522 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.796 5.064 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.765 6.515 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.098 4.948 -5.889 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.936 4.153 -2.833 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.155 2.940 -2.069 1.00 0.00 C ATOM 1104 C ILE A 71 -2.888 3.302 -0.786 1.00 0.00 C ATOM 1105 O ILE A 71 -3.772 2.576 -0.322 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.813 2.213 -1.777 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.671 1.003 -2.697 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.690 1.783 -0.322 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.669 0.933 -3.393 1.00 0.00 C ATOM 0 H ILE A 71 -1.067 4.636 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.765 2.245 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.008 2.922 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.818 0.094 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.461 1.032 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.265 1.280 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.744 2.660 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.503 1.100 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.702 0.050 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.810 1.826 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.463 0.873 -2.649 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.537 4.467 -0.246 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.236 5.022 0.899 1.00 0.00 C ATOM 1123 C LEU A 72 -4.643 5.420 0.487 1.00 0.00 C ATOM 1124 O LEU A 72 -5.570 5.397 1.299 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.486 6.236 1.456 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.799 6.026 2.810 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -2.142 7.164 3.757 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -2.190 4.687 3.424 1.00 0.00 C ATOM 0 H LEU A 72 -1.768 5.043 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.287 4.266 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.732 6.540 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.189 7.063 1.550 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.722 6.018 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.647 7.002 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.804 8.108 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.221 7.200 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.687 4.566 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.269 4.657 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.893 3.879 2.755 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.788 5.757 -0.791 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.082 6.135 -1.350 1.00 0.00 C ATOM 1142 C ALA A 73 -7.073 4.980 -1.249 1.00 0.00 C ATOM 1143 O ALA A 73 -8.255 5.184 -0.982 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.925 6.577 -2.798 1.00 0.00 C ATOM 0 H ALA A 73 -4.020 5.776 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.474 6.972 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.899 6.856 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.254 7.434 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.510 5.758 -3.386 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.574 3.768 -1.456 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.396 2.568 -1.341 1.00 0.00 C ATOM 1152 C ILE A 74 -7.854 2.376 0.102 1.00 0.00 C ATOM 1153 O ILE A 74 -9.016 2.062 0.372 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.616 1.312 -1.794 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.160 1.458 -3.246 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.469 0.064 -1.631 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.878 0.716 -3.556 1.00 0.00 C ATOM 0 H ILE A 74 -5.601 3.589 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.263 2.699 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.734 1.212 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.949 1.094 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.021 2.516 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.902 -0.809 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.747 -0.052 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.370 0.157 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.616 0.865 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.076 1.096 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.018 -0.348 -3.365 1.00 0.00 H new ATOM 1169 N HIS A 75 -6.929 2.597 1.029 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.207 2.435 2.453 1.00 0.00 C ATOM 1171 C HIS A 75 -8.107 3.549 2.960 1.00 0.00 C ATOM 1172 O HIS A 75 -8.700 3.431 4.020 1.00 0.00 O ATOM 1173 CB HIS A 75 -5.874 2.349 3.235 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.814 3.080 4.549 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.701 4.401 4.822 1.00 0.00 N flip ATOM 1176 CD2 HIS A 75 -5.828 2.442 5.772 1.00 0.00 C flip ATOM 1177 CE1 HIS A 75 -5.644 4.535 6.185 1.00 0.00 C flip ATOM 1178 NE2 HIS A 75 -5.724 3.338 6.735 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.975 2.890 0.819 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.749 1.503 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.655 1.297 3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.079 2.732 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.911 1.375 5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.549 5.468 6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.708 3.139 7.735 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.227 4.616 2.194 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.076 5.719 2.578 1.00 0.00 C ATOM 1189 C LYS A 76 -10.537 5.305 2.462 1.00 0.00 C ATOM 1190 O LYS A 76 -11.351 5.605 3.333 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.772 6.942 1.706 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.583 8.176 2.056 1.00 0.00 C ATOM 1193 CD LYS A 76 -10.697 8.392 1.048 1.00 0.00 C ATOM 1194 CE LYS A 76 -10.383 9.534 0.097 1.00 0.00 C ATOM 1195 NZ LYS A 76 -10.088 9.047 -1.276 1.00 0.00 N ATOM 0 H LYS A 76 -7.746 4.739 1.303 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.879 5.990 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.712 7.181 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.956 6.685 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.006 8.068 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.932 9.050 2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.854 7.476 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.628 8.603 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.228 10.222 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.529 10.096 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.130 9.844 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.137 8.626 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.790 8.330 -1.548 1.00 0.00 H new ATOM 1209 N GLU A 77 -10.852 4.571 1.404 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.209 4.076 1.205 1.00 0.00 C ATOM 1211 C GLU A 77 -12.476 2.922 2.158 1.00 0.00 C ATOM 1212 O GLU A 77 -13.567 2.793 2.713 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.431 3.611 -0.241 1.00 0.00 C ATOM 1214 CG GLU A 77 -11.676 4.417 -1.286 1.00 0.00 C ATOM 1215 CD GLU A 77 -12.104 5.871 -1.337 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.288 6.165 -1.059 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -11.261 6.724 -1.663 1.00 0.00 O ATOM 0 H GLU A 77 -10.191 4.306 0.673 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.900 4.894 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.134 2.565 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.497 3.658 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.608 4.366 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.829 3.965 -2.266 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.455 2.098 2.365 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.579 0.921 3.213 1.00 0.00 C ATOM 1226 C ALA A 78 -11.487 1.288 4.693 1.00 0.00 C ATOM 1227 O ALA A 78 -11.643 0.434 5.563 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.519 -0.108 2.849 1.00 0.00 C ATOM 0 H ALA A 78 -10.530 2.225 1.955 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.563 0.486 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.625 -0.982 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.643 -0.406 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.529 0.326 2.986 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.197 2.551 4.977 1.00 0.00 N ATOM 1235 CA GLN A 79 -11.184 3.029 6.355 1.00 0.00 C ATOM 1236 C GLN A 79 -12.422 3.857 6.662 1.00 0.00 C ATOM 1237 O GLN A 79 -13.019 3.707 7.723 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.927 3.854 6.643 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.599 3.960 8.124 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.585 2.928 8.573 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -8.751 1.692 8.128 1.00 0.00 O flip ATOM 1242 NE2 GLN A 79 -7.655 3.240 9.310 1.00 0.00 N flip ATOM 0 H GLN A 79 -10.969 3.259 4.279 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.182 2.150 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.081 3.406 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.058 4.856 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.215 4.958 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.514 3.841 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.561 4.203 9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.976 2.536 9.600 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.819 4.704 5.719 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.936 5.621 5.936 1.00 0.00 C ATOM 1253 C ARG A 80 -15.227 4.856 6.216 1.00 0.00 C ATOM 1254 O ARG A 80 -16.149 5.384 6.835 1.00 0.00 O ATOM 1255 CB ARG A 80 -14.110 6.557 4.736 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.714 5.894 3.512 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.157 6.924 2.488 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.086 6.407 1.125 1.00 0.00 N ATOM 1259 CZ ARG A 80 -16.069 5.742 0.523 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -17.220 5.516 1.154 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -15.894 5.306 -0.717 1.00 0.00 N ATOM 0 H ARG A 80 -12.386 4.776 4.798 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.708 6.227 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.743 7.394 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.138 6.971 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.983 5.222 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.567 5.284 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.179 7.234 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.530 7.811 2.572 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.226 6.566 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -17.354 5.854 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.968 5.005 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.013 5.481 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.641 4.795 -1.188 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.281 3.608 5.774 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.416 2.748 6.071 1.00 0.00 C ATOM 1277 C ILE A 81 -16.508 2.501 7.579 1.00 0.00 C ATOM 1278 O ILE A 81 -17.573 2.620 8.175 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.318 1.397 5.325 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.953 0.753 5.542 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.561 1.588 3.839 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -14.999 -0.458 6.439 1.00 0.00 C ATOM 0 H ILE A 81 -14.553 3.169 5.210 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.316 3.258 5.728 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.086 0.737 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.537 0.465 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.276 1.490 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.488 0.626 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.556 2.005 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.814 2.270 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -13.995 -0.866 6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.385 -0.172 7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.651 -1.213 5.998 1.00 0.00 H new ATOM 1294 N ALA A 82 -15.366 2.207 8.194 1.00 0.00 N ATOM 1295 CA ALA A 82 -15.311 1.899 9.618 1.00 0.00 C ATOM 1296 C ALA A 82 -15.329 3.177 10.440 1.00 0.00 C ATOM 1297 O ALA A 82 -15.638 3.165 11.633 1.00 0.00 O ATOM 1298 CB ALA A 82 -14.066 1.080 9.936 1.00 0.00 C ATOM 0 H ALA A 82 -14.461 2.176 7.724 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.190 1.309 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.039 0.858 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.090 0.148 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.177 1.648 9.661 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.979 4.275 9.792 1.00 0.00 N ATOM 1305 CA GLU A 83 -15.029 5.584 10.416 1.00 0.00 C ATOM 1306 C GLU A 83 -16.475 6.049 10.553 1.00 0.00 C ATOM 1307 O GLU A 83 -16.859 6.646 11.562 1.00 0.00 O ATOM 1308 CB GLU A 83 -14.226 6.588 9.590 1.00 0.00 C ATOM 1309 CG GLU A 83 -12.746 6.254 9.496 1.00 0.00 C ATOM 1310 CD GLU A 83 -11.965 6.774 10.680 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -11.922 8.006 10.870 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -11.399 5.954 11.433 1.00 0.00 O ATOM 0 H GLU A 83 -14.654 4.284 8.825 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.590 5.516 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.644 6.635 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.339 7.579 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.623 5.173 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.337 6.679 8.579 1.00 0.00 H new ATOM 1479 N TYR A 95 -4.683 -10.445 3.551 1.00 0.00 N ATOM 1480 CA TYR A 95 -3.777 -10.304 2.426 1.00 0.00 C ATOM 1481 C TYR A 95 -2.898 -9.091 2.640 1.00 0.00 C ATOM 1482 O TYR A 95 -1.676 -9.157 2.532 1.00 0.00 O ATOM 1483 CB TYR A 95 -4.532 -10.166 1.087 1.00 0.00 C ATOM 1484 CG TYR A 95 -6.026 -10.433 1.138 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -6.529 -11.652 1.585 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -6.936 -9.470 0.715 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -7.889 -11.894 1.617 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -8.294 -9.706 0.746 1.00 0.00 C ATOM 1489 CZ TYR A 95 -8.766 -10.917 1.196 1.00 0.00 C ATOM 1490 OH TYR A 95 -10.121 -11.154 1.230 1.00 0.00 O ATOM 0 HA TYR A 95 -3.171 -11.208 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.376 -9.157 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.084 -10.851 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.845 -12.421 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.572 -8.519 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.263 -12.844 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.984 -8.943 0.418 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.486 -10.842 2.084 1.00 0.00 H new ATOM 1500 N THR A 96 -3.537 -7.985 2.964 1.00 0.00 N ATOM 1501 CA THR A 96 -2.850 -6.730 3.148 1.00 0.00 C ATOM 1502 C THR A 96 -2.320 -6.548 4.562 1.00 0.00 C ATOM 1503 O THR A 96 -2.871 -5.768 5.336 1.00 0.00 O ATOM 1504 CB THR A 96 -3.801 -5.580 2.832 1.00 0.00 C ATOM 1505 OG1 THR A 96 -5.060 -6.098 2.369 1.00 0.00 O ATOM 1506 CG2 THR A 96 -3.193 -4.692 1.782 1.00 0.00 C ATOM 0 H THR A 96 -4.546 -7.935 3.106 1.00 0.00 H new ATOM 0 HA THR A 96 -1.996 -6.734 2.471 1.00 0.00 H new ATOM 0 HB THR A 96 -3.971 -4.997 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.197 -5.838 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.876 -3.872 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.249 -4.289 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.013 -5.271 0.876 1.00 0.00 H new ATOM 1514 N THR A 97 -1.245 -7.236 4.898 1.00 0.00 N ATOM 1515 CA THR A 97 -0.607 -7.023 6.186 1.00 0.00 C ATOM 1516 C THR A 97 0.414 -5.893 6.104 1.00 0.00 C ATOM 1517 O THR A 97 1.568 -6.027 6.501 1.00 0.00 O ATOM 1518 CB THR A 97 0.053 -8.297 6.713 1.00 0.00 C ATOM 1519 OG1 THR A 97 -0.561 -9.455 6.123 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.098 -8.329 8.216 1.00 0.00 C ATOM 0 H THR A 97 -0.799 -7.938 4.307 1.00 0.00 H new ATOM 0 HA THR A 97 -1.390 -6.740 6.890 1.00 0.00 H new ATOM 0 HB THR A 97 1.110 -8.304 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.129 -10.265 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.368 -9.233 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.386 -7.453 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.157 -8.324 8.476 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.054 -4.782 5.577 1.00 0.00 N ATOM 1529 CA VAL A 98 0.761 -3.592 5.374 1.00 0.00 C ATOM 1530 C VAL A 98 -0.004 -2.354 5.817 1.00 0.00 C ATOM 1531 O VAL A 98 -0.816 -1.811 5.062 1.00 0.00 O ATOM 1532 CB VAL A 98 1.199 -3.415 3.899 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.682 -3.715 3.742 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.375 -4.283 2.955 1.00 0.00 C ATOM 0 H VAL A 98 -1.021 -4.673 5.272 1.00 0.00 H new ATOM 0 HA VAL A 98 1.661 -3.720 5.976 1.00 0.00 H new ATOM 0 HB VAL A 98 1.020 -2.375 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.971 -3.585 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.259 -3.033 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.880 -4.742 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.714 -4.129 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.498 -5.332 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.677 -4.009 3.034 1.00 0.00 H new ATOM 1544 N THR A 99 0.241 -1.916 7.038 1.00 0.00 N ATOM 1545 CA THR A 99 -0.450 -0.771 7.594 1.00 0.00 C ATOM 1546 C THR A 99 0.099 0.528 7.000 1.00 0.00 C ATOM 1547 O THR A 99 1.244 0.570 6.549 1.00 0.00 O ATOM 1548 CB THR A 99 -0.297 -0.774 9.125 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.586 -1.838 9.511 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.647 -0.961 9.801 1.00 0.00 C ATOM 0 H THR A 99 0.921 -2.342 7.668 1.00 0.00 H new ATOM 0 HA THR A 99 -1.508 -0.835 7.342 1.00 0.00 H new ATOM 0 HB THR A 99 0.116 0.185 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.563 -1.945 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.515 -0.960 10.883 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.313 -0.146 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.082 -1.911 9.489 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.716 1.605 6.977 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.317 2.898 6.405 1.00 0.00 C ATOM 1560 C PRO A 100 1.006 3.411 6.968 1.00 0.00 C ATOM 1561 O PRO A 100 1.840 3.936 6.233 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.465 3.844 6.785 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.274 3.109 7.800 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.088 1.652 7.500 1.00 0.00 C ATOM 0 HA PRO A 100 -0.154 2.821 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.083 4.780 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.068 4.098 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.940 3.345 8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.326 3.389 7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.203 1.037 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.813 1.293 6.769 1.00 0.00 H new ATOM 1572 N GLN A 101 1.196 3.243 8.270 1.00 0.00 N ATOM 1573 CA GLN A 101 2.425 3.677 8.919 1.00 0.00 C ATOM 1574 C GLN A 101 3.589 2.822 8.455 1.00 0.00 C ATOM 1575 O GLN A 101 4.667 3.329 8.160 1.00 0.00 O ATOM 1576 CB GLN A 101 2.290 3.576 10.434 1.00 0.00 C ATOM 1577 CG GLN A 101 1.934 4.892 11.102 1.00 0.00 C ATOM 1578 CD GLN A 101 3.158 5.722 11.435 1.00 0.00 C ATOM 1579 OE1 GLN A 101 3.337 6.823 10.915 1.00 0.00 O ATOM 1580 NE2 GLN A 101 4.014 5.198 12.303 1.00 0.00 N ATOM 0 H GLN A 101 0.516 2.810 8.896 1.00 0.00 H new ATOM 0 HA GLN A 101 2.610 4.716 8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.525 2.838 10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.228 3.209 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.279 5.464 10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.374 4.693 12.016 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.829 4.282 12.712 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.857 5.711 12.561 1.00 0.00 H new ATOM 1589 N ILE A 102 3.342 1.523 8.362 1.00 0.00 N ATOM 1590 CA ILE A 102 4.361 0.560 7.976 1.00 0.00 C ATOM 1591 C ILE A 102 4.948 0.901 6.605 1.00 0.00 C ATOM 1592 O ILE A 102 6.136 0.708 6.368 1.00 0.00 O ATOM 1593 CB ILE A 102 3.790 -0.883 7.991 1.00 0.00 C ATOM 1594 CG1 ILE A 102 4.215 -1.601 9.270 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.230 -1.689 6.775 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.593 -1.027 10.522 1.00 0.00 C ATOM 0 H ILE A 102 2.430 1.108 8.552 1.00 0.00 H new ATOM 0 HA ILE A 102 5.168 0.613 8.707 1.00 0.00 H new ATOM 0 HB ILE A 102 2.704 -0.802 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.947 -2.655 9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.300 -1.554 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.806 -2.692 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.882 -1.197 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.318 -1.756 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.940 -1.587 11.390 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.882 0.019 10.625 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.507 -1.099 10.455 1.00 0.00 H new ATOM 1608 N ILE A 103 4.118 1.428 5.713 1.00 0.00 N ATOM 1609 CA ILE A 103 4.574 1.776 4.378 1.00 0.00 C ATOM 1610 C ILE A 103 5.103 3.214 4.324 1.00 0.00 C ATOM 1611 O ILE A 103 6.022 3.515 3.565 1.00 0.00 O ATOM 1612 CB ILE A 103 3.458 1.563 3.320 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.078 1.107 2.003 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.622 2.821 3.109 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.426 -0.131 1.420 1.00 0.00 C ATOM 0 H ILE A 103 3.132 1.622 5.890 1.00 0.00 H new ATOM 0 HA ILE A 103 5.397 1.104 4.136 1.00 0.00 H new ATOM 0 HB ILE A 103 2.786 0.790 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.009 1.919 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.138 0.909 2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.854 2.626 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.149 3.106 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.265 3.632 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.919 -0.396 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.518 -0.957 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.371 0.068 1.230 1.00 0.00 H new ATOM 1627 N ASN A 104 4.535 4.092 5.144 1.00 0.00 N ATOM 1628 CA ASN A 104 4.922 5.502 5.145 1.00 0.00 C ATOM 1629 C ASN A 104 6.263 5.706 5.839 1.00 0.00 C ATOM 1630 O ASN A 104 7.175 6.316 5.276 1.00 0.00 O ATOM 1631 CB ASN A 104 3.854 6.357 5.831 1.00 0.00 C ATOM 1632 CG ASN A 104 3.724 7.734 5.201 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.570 8.605 5.402 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.660 7.937 4.438 1.00 0.00 N ATOM 0 H ASN A 104 3.806 3.854 5.816 1.00 0.00 H new ATOM 0 HA ASN A 104 5.017 5.815 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.893 5.844 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.102 6.465 6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.518 8.843 3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.983 7.187 4.298 1.00 0.00 H new ATOM 1641 N SER A 105 6.387 5.187 7.053 1.00 0.00 N ATOM 1642 CA SER A 105 7.609 5.335 7.825 1.00 0.00 C ATOM 1643 C SER A 105 8.755 4.563 7.171 1.00 0.00 C ATOM 1644 O SER A 105 9.918 4.964 7.256 1.00 0.00 O ATOM 1645 CB SER A 105 7.375 4.861 9.258 1.00 0.00 C ATOM 1646 OG SER A 105 6.114 5.309 9.737 1.00 0.00 O ATOM 0 H SER A 105 5.653 4.658 7.524 1.00 0.00 H new ATOM 0 HA SER A 105 7.890 6.388 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.419 3.773 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.169 5.236 9.904 1.00 0.00 H new ATOM 0 HG SER A 105 5.417 4.678 9.462 1.00 0.00 H new ATOM 1652 N LYS A 106 8.419 3.463 6.507 1.00 0.00 N ATOM 1653 CA LYS A 106 9.401 2.702 5.747 1.00 0.00 C ATOM 1654 C LYS A 106 9.937 3.550 4.604 1.00 0.00 C ATOM 1655 O LYS A 106 11.142 3.583 4.351 1.00 0.00 O ATOM 1656 CB LYS A 106 8.780 1.418 5.195 1.00 0.00 C ATOM 1657 CG LYS A 106 9.642 0.180 5.395 1.00 0.00 C ATOM 1658 CD LYS A 106 8.819 -1.012 5.858 1.00 0.00 C ATOM 1659 CE LYS A 106 8.104 -1.679 4.694 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.715 -2.989 4.350 1.00 0.00 N ATOM 0 H LYS A 106 7.474 3.079 6.480 1.00 0.00 H new ATOM 0 HA LYS A 106 10.221 2.431 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.815 1.258 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.589 1.547 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.146 -0.067 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.419 0.393 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.469 -1.735 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.088 -0.686 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.054 -1.823 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.136 -1.023 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.052 -3.539 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.595 -2.833 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.926 -3.514 5.223 1.00 0.00 H new ATOM 1674 N TRP A 107 9.030 4.245 3.932 1.00 0.00 N ATOM 1675 CA TRP A 107 9.399 5.146 2.853 1.00 0.00 C ATOM 1676 C TRP A 107 10.281 6.274 3.374 1.00 0.00 C ATOM 1677 O TRP A 107 11.257 6.660 2.730 1.00 0.00 O ATOM 1678 CB TRP A 107 8.149 5.723 2.190 1.00 0.00 C ATOM 1679 CG TRP A 107 8.463 6.660 1.072 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.589 8.019 1.139 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.704 6.302 -0.286 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.891 8.521 -0.097 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.967 7.488 -0.990 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.717 5.090 -0.973 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.245 7.494 -2.352 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.993 5.097 -2.324 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.255 6.292 -2.999 1.00 0.00 C ATOM 0 H TRP A 107 8.028 4.200 4.118 1.00 0.00 H new ATOM 0 HA TRP A 107 9.961 4.578 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.535 4.906 1.811 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.555 6.246 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.468 8.609 2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.036 9.506 -0.317 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.515 4.163 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.446 8.415 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 9.007 4.165 -2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.470 6.264 -4.057 1.00 0.00 H new ATOM 1698 N GLU A 108 9.937 6.793 4.546 1.00 0.00 N ATOM 1699 CA GLU A 108 10.695 7.880 5.153 1.00 0.00 C ATOM 1700 C GLU A 108 12.131 7.446 5.415 1.00 0.00 C ATOM 1701 O GLU A 108 13.075 8.212 5.209 1.00 0.00 O ATOM 1702 CB GLU A 108 10.034 8.333 6.455 1.00 0.00 C ATOM 1703 CG GLU A 108 9.616 9.795 6.442 1.00 0.00 C ATOM 1704 CD GLU A 108 10.406 10.642 7.420 1.00 0.00 C ATOM 1705 OE1 GLU A 108 11.646 10.495 7.480 1.00 0.00 O ATOM 1706 OE2 GLU A 108 9.789 11.460 8.136 1.00 0.00 O ATOM 0 H GLU A 108 9.137 6.478 5.096 1.00 0.00 H new ATOM 0 HA GLU A 108 10.706 8.720 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.157 7.714 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.725 8.167 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.744 10.195 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.555 9.867 6.681 1.00 0.00 H new ATOM 1713 N LYS A 109 12.292 6.204 5.856 1.00 0.00 N ATOM 1714 CA LYS A 109 13.610 5.643 6.078 1.00 0.00 C ATOM 1715 C LYS A 109 14.354 5.495 4.756 1.00 0.00 C ATOM 1716 O LYS A 109 15.543 5.782 4.673 1.00 0.00 O ATOM 1717 CB LYS A 109 13.504 4.294 6.783 1.00 0.00 C ATOM 1718 CG LYS A 109 14.713 3.964 7.640 1.00 0.00 C ATOM 1719 CD LYS A 109 14.469 2.742 8.510 1.00 0.00 C ATOM 1720 CE LYS A 109 13.945 3.131 9.881 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.757 2.528 10.968 1.00 0.00 N ATOM 0 H LYS A 109 11.522 5.569 6.066 1.00 0.00 H new ATOM 0 HA LYS A 109 14.172 6.324 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.612 4.289 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.373 3.511 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.576 3.787 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.955 4.818 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.753 2.082 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.397 2.181 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.953 4.217 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.908 2.810 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.371 2.815 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 14.729 1.491 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.741 2.855 10.888 1.00 0.00 H new ATOM 1735 N VAL A 110 13.639 5.058 3.723 1.00 0.00 N ATOM 1736 CA VAL A 110 14.210 4.951 2.384 1.00 0.00 C ATOM 1737 C VAL A 110 14.754 6.302 1.927 1.00 0.00 C ATOM 1738 O VAL A 110 15.874 6.397 1.428 1.00 0.00 O ATOM 1739 CB VAL A 110 13.167 4.449 1.359 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.689 4.572 -0.066 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.781 3.009 1.649 1.00 0.00 C ATOM 0 H VAL A 110 12.662 4.772 3.788 1.00 0.00 H new ATOM 0 HA VAL A 110 15.022 4.226 2.435 1.00 0.00 H new ATOM 0 HB VAL A 110 12.282 5.078 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.933 4.211 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.913 5.617 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.596 3.977 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.046 2.675 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.666 2.376 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.353 2.941 2.649 1.00 0.00 H new ATOM 1751 N GLN A 111 13.954 7.344 2.129 1.00 0.00 N ATOM 1752 CA GLN A 111 14.325 8.701 1.733 1.00 0.00 C ATOM 1753 C GLN A 111 15.605 9.150 2.419 1.00 0.00 C ATOM 1754 O GLN A 111 16.498 9.704 1.784 1.00 0.00 O ATOM 1755 CB GLN A 111 13.199 9.677 2.076 1.00 0.00 C ATOM 1756 CG GLN A 111 11.946 9.459 1.257 1.00 0.00 C ATOM 1757 CD GLN A 111 11.915 10.313 0.003 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.692 9.688 -1.140 1.00 0.00 O flip ATOM 1759 NE2 GLN A 111 12.090 11.530 0.063 1.00 0.00 N flip ATOM 0 H GLN A 111 13.036 7.275 2.569 1.00 0.00 H new ATOM 0 HA GLN A 111 14.494 8.695 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.954 9.581 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.552 10.697 1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.876 8.408 0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.072 9.685 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.259 11.977 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.065 12.091 -0.788 1.00 0.00 H new ATOM 1768 N GLN A 112 15.695 8.894 3.715 1.00 0.00 N ATOM 1769 CA GLN A 112 16.845 9.345 4.499 1.00 0.00 C ATOM 1770 C GLN A 112 18.080 8.490 4.214 1.00 0.00 C ATOM 1771 O GLN A 112 19.209 8.913 4.460 1.00 0.00 O ATOM 1772 CB GLN A 112 16.520 9.343 6.001 1.00 0.00 C ATOM 1773 CG GLN A 112 16.494 7.959 6.631 1.00 0.00 C ATOM 1774 CD GLN A 112 15.689 7.914 7.916 1.00 0.00 C ATOM 1775 OE1 GLN A 112 16.174 7.461 8.953 1.00 0.00 O ATOM 1776 NE2 GLN A 112 14.449 8.370 7.854 1.00 0.00 N ATOM 0 H GLN A 112 14.993 8.380 4.248 1.00 0.00 H new ATOM 0 HA GLN A 112 17.069 10.369 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.258 9.953 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.550 9.817 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.074 7.248 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.516 7.639 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.084 8.738 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.858 8.354 8.685 1.00 0.00 H new ATOM 1785 N LEU A 113 17.863 7.296 3.683 1.00 0.00 N ATOM 1786 CA LEU A 113 18.962 6.400 3.355 1.00 0.00 C ATOM 1787 C LEU A 113 19.527 6.726 1.977 1.00 0.00 C ATOM 1788 O LEU A 113 20.622 6.284 1.625 1.00 0.00 O ATOM 1789 CB LEU A 113 18.501 4.943 3.405 1.00 0.00 C ATOM 1790 CG LEU A 113 18.597 4.284 4.781 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.511 3.231 4.938 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.973 3.673 4.988 1.00 0.00 C ATOM 0 H LEU A 113 16.937 6.925 3.470 1.00 0.00 H new ATOM 0 HA LEU A 113 19.749 6.542 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.466 4.893 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.097 4.364 2.699 1.00 0.00 H new ATOM 0 HG LEU A 113 18.449 5.049 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.591 2.770 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.532 3.700 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.630 2.468 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.021 3.209 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.155 2.919 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.732 4.452 4.917 1.00 0.00 H new ATOM 1804 N VAL A 114 18.784 7.512 1.204 1.00 0.00 N ATOM 1805 CA VAL A 114 19.218 7.895 -0.134 1.00 0.00 C ATOM 1806 C VAL A 114 20.521 8.705 -0.092 1.00 0.00 C ATOM 1807 O VAL A 114 21.517 8.283 -0.686 1.00 0.00 O ATOM 1808 CB VAL A 114 18.121 8.678 -0.899 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.697 9.363 -2.130 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.988 7.745 -1.296 1.00 0.00 C ATOM 0 H VAL A 114 17.880 7.895 1.481 1.00 0.00 H new ATOM 0 HA VAL A 114 19.406 6.969 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 114 17.728 9.448 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.906 9.905 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.477 10.061 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.121 8.614 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.224 8.308 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.376 6.955 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.551 7.302 -0.401 1.00 0.00 H new ATOM 1820 N PRO A 115 20.557 9.859 0.613 1.00 0.00 N ATOM 1821 CA PRO A 115 21.772 10.677 0.710 1.00 0.00 C ATOM 1822 C PRO A 115 22.876 9.972 1.489 1.00 0.00 C ATOM 1823 O PRO A 115 24.061 10.222 1.274 1.00 0.00 O ATOM 1824 CB PRO A 115 21.310 11.936 1.453 1.00 0.00 C ATOM 1825 CG PRO A 115 20.102 11.507 2.206 1.00 0.00 C ATOM 1826 CD PRO A 115 19.434 10.468 1.351 1.00 0.00 C ATOM 0 HA PRO A 115 22.199 10.887 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 115 22.085 12.306 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.078 12.743 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.373 11.097 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.436 12.350 2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.903 9.732 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.703 10.913 0.675 1.00 0.00 H new ATOM 1834 N LYS A 116 22.480 9.073 2.378 1.00 0.00 N ATOM 1835 CA LYS A 116 23.436 8.302 3.161 1.00 0.00 C ATOM 1836 C LYS A 116 24.183 7.327 2.266 1.00 0.00 C ATOM 1837 O LYS A 116 25.415 7.291 2.255 1.00 0.00 O ATOM 1838 CB LYS A 116 22.724 7.550 4.288 1.00 0.00 C ATOM 1839 CG LYS A 116 23.006 8.121 5.668 1.00 0.00 C ATOM 1840 CD LYS A 116 24.452 8.567 5.798 1.00 0.00 C ATOM 1841 CE LYS A 116 24.704 9.279 7.113 1.00 0.00 C ATOM 1842 NZ LYS A 116 24.942 8.320 8.224 1.00 0.00 N ATOM 0 H LYS A 116 21.503 8.859 2.576 1.00 0.00 H new ATOM 0 HA LYS A 116 24.155 8.990 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 116 21.649 7.572 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.030 6.504 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.344 8.967 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.786 7.370 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 116 25.108 7.700 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 116 24.704 9.231 4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 116 25.567 9.937 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.848 9.910 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.110 8.845 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 24.109 7.708 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 25.774 7.735 8.005 1.00 0.00 H new ATOM 1856 N ARG A 117 23.434 6.546 1.501 1.00 0.00 N ATOM 1857 CA ARG A 117 24.026 5.617 0.552 1.00 0.00 C ATOM 1858 C ARG A 117 24.758 6.385 -0.538 1.00 0.00 C ATOM 1859 O ARG A 117 25.788 5.942 -1.032 1.00 0.00 O ATOM 1860 CB ARG A 117 22.944 4.706 -0.042 1.00 0.00 C ATOM 1861 CG ARG A 117 23.386 3.922 -1.268 1.00 0.00 C ATOM 1862 CD ARG A 117 23.435 2.426 -0.993 1.00 0.00 C ATOM 1863 NE ARG A 117 22.415 1.696 -1.753 1.00 0.00 N ATOM 1864 CZ ARG A 117 22.626 0.531 -2.377 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.821 -0.046 -2.336 1.00 0.00 N ATOM 1866 NH2 ARG A 117 21.631 -0.058 -3.031 1.00 0.00 N ATOM 0 H ARG A 117 22.414 6.538 1.520 1.00 0.00 H new ATOM 0 HA ARG A 117 24.749 4.987 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.617 4.004 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.079 5.314 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.700 4.118 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.371 4.266 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 117 24.422 2.042 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 117 23.290 2.248 0.073 1.00 0.00 H new ATOM 0 HE ARG A 117 21.482 2.104 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.585 0.399 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.975 -0.934 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 117 20.709 0.378 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 117 21.789 -0.946 -3.508 1.00 0.00 H new ATOM 1880 N ASP A 118 24.235 7.556 -0.875 1.00 0.00 N ATOM 1881 CA ASP A 118 24.857 8.426 -1.868 1.00 0.00 C ATOM 1882 C ASP A 118 26.211 8.913 -1.362 1.00 0.00 C ATOM 1883 O ASP A 118 27.150 9.107 -2.139 1.00 0.00 O ATOM 1884 CB ASP A 118 23.944 9.619 -2.159 1.00 0.00 C ATOM 1885 CG ASP A 118 24.281 10.325 -3.459 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.931 9.796 -4.536 1.00 0.00 O ATOM 1887 OD2 ASP A 118 24.873 11.423 -3.405 1.00 0.00 O ATOM 0 H ASP A 118 23.375 7.929 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 118 25.008 7.863 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.910 9.277 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.014 10.331 -1.337 1.00 0.00 H new ATOM 1892 N HIS A 119 26.309 9.072 -0.047 1.00 0.00 N ATOM 1893 CA HIS A 119 27.521 9.573 0.588 1.00 0.00 C ATOM 1894 C HIS A 119 28.598 8.506 0.570 1.00 0.00 C ATOM 1895 O HIS A 119 29.745 8.771 0.221 1.00 0.00 O ATOM 1896 CB HIS A 119 27.227 10.001 2.031 1.00 0.00 C ATOM 1897 CG HIS A 119 28.012 11.194 2.487 1.00 0.00 C ATOM 1898 ND1 HIS A 119 27.421 12.331 2.991 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.347 11.421 2.528 1.00 0.00 C ATOM 1900 CE1 HIS A 119 28.355 13.202 3.321 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.531 12.677 3.053 1.00 0.00 N ATOM 0 H HIS A 119 25.555 8.858 0.605 1.00 0.00 H new ATOM 0 HA HIS A 119 27.875 10.441 0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.164 10.222 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.438 9.164 2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.122 10.741 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 119 28.183 14.182 3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.432 13.129 3.209 1.00 0.00 H new ATOM 1910 N ALA A 120 28.210 7.290 0.929 1.00 0.00 N ATOM 1911 CA ALA A 120 29.142 6.175 0.962 1.00 0.00 C ATOM 1912 C ALA A 120 29.554 5.771 -0.447 1.00 0.00 C ATOM 1913 O ALA A 120 30.685 5.355 -0.681 1.00 0.00 O ATOM 1914 CB ALA A 120 28.526 4.993 1.695 1.00 0.00 C ATOM 0 H ALA A 120 27.256 7.052 1.201 1.00 0.00 H new ATOM 0 HA ALA A 120 30.036 6.492 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.235 4.166 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.284 5.285 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.616 4.681 1.182 1.00 0.00 H new ATOM 1920 N LEU A 121 28.628 5.913 -1.385 1.00 0.00 N ATOM 1921 CA LEU A 121 28.887 5.561 -2.772 1.00 0.00 C ATOM 1922 C LEU A 121 29.905 6.505 -3.387 1.00 0.00 C ATOM 1923 O LEU A 121 30.880 6.070 -4.003 1.00 0.00 O ATOM 1924 CB LEU A 121 27.594 5.594 -3.583 1.00 0.00 C ATOM 1925 CG LEU A 121 26.737 4.336 -3.471 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.343 4.593 -4.013 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.389 3.183 -4.209 1.00 0.00 C ATOM 0 H LEU A 121 27.689 6.270 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 121 29.292 4.549 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.001 6.450 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.843 5.755 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 121 26.653 4.068 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.746 3.686 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.873 5.394 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.408 4.885 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.765 2.294 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.502 3.442 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.370 2.983 -3.778 1.00 0.00 H new ATOM 1939 N LEU A 122 29.684 7.801 -3.209 1.00 0.00 N ATOM 1940 CA LEU A 122 30.579 8.806 -3.764 1.00 0.00 C ATOM 1941 C LEU A 122 31.946 8.736 -3.099 1.00 0.00 C ATOM 1942 O LEU A 122 32.963 9.038 -3.720 1.00 0.00 O ATOM 1943 CB LEU A 122 29.986 10.206 -3.616 1.00 0.00 C ATOM 1944 CG LEU A 122 29.669 10.905 -4.939 1.00 0.00 C ATOM 1945 CD1 LEU A 122 28.226 10.656 -5.346 1.00 0.00 C ATOM 1946 CD2 LEU A 122 29.944 12.397 -4.835 1.00 0.00 C ATOM 0 H LEU A 122 28.894 8.180 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 122 30.701 8.597 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.071 10.139 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.684 10.824 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 122 30.318 10.488 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.022 11.162 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 122 28.061 9.585 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 122 27.559 11.042 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 122 29.713 12.877 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 122 29.322 12.828 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 122 30.995 12.557 -4.594 1.00 0.00 H new ATOM 1958 N GLU A 123 31.964 8.320 -1.840 1.00 0.00 N ATOM 1959 CA GLU A 123 33.210 8.145 -1.108 1.00 0.00 C ATOM 1960 C GLU A 123 34.113 7.141 -1.818 1.00 0.00 C ATOM 1961 O GLU A 123 35.303 7.390 -2.019 1.00 0.00 O ATOM 1962 CB GLU A 123 32.921 7.666 0.314 1.00 0.00 C ATOM 1963 CG GLU A 123 33.065 8.751 1.365 1.00 0.00 C ATOM 1964 CD GLU A 123 34.016 8.359 2.472 1.00 0.00 C ATOM 1965 OE1 GLU A 123 35.203 8.102 2.176 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.582 8.309 3.643 1.00 0.00 O ATOM 0 H GLU A 123 31.126 8.097 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 123 33.722 9.106 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.908 7.266 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.597 6.846 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 123 33.420 9.666 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 123 32.087 8.972 1.792 1.00 0.00 H new ATOM 1973 N GLU A 124 33.535 6.016 -2.220 1.00 0.00 N ATOM 1974 CA GLU A 124 34.292 4.960 -2.859 1.00 0.00 C ATOM 1975 C GLU A 124 34.546 5.271 -4.331 1.00 0.00 C ATOM 1976 O GLU A 124 35.629 5.009 -4.839 1.00 0.00 O ATOM 1977 CB GLU A 124 33.547 3.633 -2.702 1.00 0.00 C ATOM 1978 CG GLU A 124 34.282 2.448 -3.296 1.00 0.00 C ATOM 1979 CD GLU A 124 35.527 2.058 -2.514 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.662 2.485 -1.346 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.368 1.313 -3.059 1.00 0.00 O ATOM 0 H GLU A 124 32.541 5.816 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 124 35.265 4.884 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 124 33.373 3.447 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.569 3.717 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.606 1.594 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.565 2.682 -4.322 1.00 0.00 H new ATOM 1988 N GLN A 125 33.558 5.851 -5.007 1.00 0.00 N ATOM 1989 CA GLN A 125 33.688 6.161 -6.430 1.00 0.00 C ATOM 1990 C GLN A 125 34.798 7.180 -6.681 1.00 0.00 C ATOM 1991 O GLN A 125 35.410 7.188 -7.746 1.00 0.00 O ATOM 1992 CB GLN A 125 32.357 6.667 -7.003 1.00 0.00 C ATOM 1993 CG GLN A 125 32.040 8.113 -6.651 1.00 0.00 C ATOM 1994 CD GLN A 125 31.345 8.870 -7.766 1.00 0.00 C ATOM 1995 OE1 GLN A 125 30.510 8.182 -8.527 1.00 0.00 O flip ATOM 1996 NE2 GLN A 125 31.553 10.069 -7.937 1.00 0.00 N flip ATOM 0 H GLN A 125 32.663 6.115 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 125 33.958 5.238 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.378 6.564 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.551 6.030 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.410 8.132 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.966 8.628 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 125 32.204 10.565 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.074 10.568 -8.687 1.00 0.00 H new ATOM 2005 N SER A 126 35.073 8.028 -5.697 1.00 0.00 N ATOM 2006 CA SER A 126 36.134 9.019 -5.834 1.00 0.00 C ATOM 2007 C SER A 126 37.498 8.378 -5.610 1.00 0.00 C ATOM 2008 O SER A 126 38.543 8.999 -5.824 1.00 0.00 O ATOM 2009 CB SER A 126 35.913 10.178 -4.862 1.00 0.00 C ATOM 2010 OG SER A 126 34.592 10.681 -4.971 1.00 0.00 O ATOM 0 H SER A 126 34.581 8.050 -4.804 1.00 0.00 H new ATOM 0 HA SER A 126 36.107 9.415 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 126 36.096 9.843 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.628 10.974 -5.069 1.00 0.00 H new ATOM 0 HG SER A 126 34.048 10.333 -4.234 1.00 0.00 H new ATOM 2016 N LYS A 127 37.474 7.127 -5.184 1.00 0.00 N ATOM 2017 CA LYS A 127 38.684 6.345 -5.018 1.00 0.00 C ATOM 2018 C LYS A 127 38.723 5.232 -6.059 1.00 0.00 C ATOM 2019 O LYS A 127 39.714 4.514 -6.181 1.00 0.00 O ATOM 2020 CB LYS A 127 38.738 5.749 -3.610 1.00 0.00 C ATOM 2021 CG LYS A 127 39.711 6.456 -2.684 1.00 0.00 C ATOM 2022 CD LYS A 127 39.046 6.867 -1.378 1.00 0.00 C ATOM 2023 CE LYS A 127 39.767 8.043 -0.737 1.00 0.00 C ATOM 2024 NZ LYS A 127 39.184 8.422 0.578 1.00 0.00 N ATOM 0 H LYS A 127 36.618 6.627 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 127 39.549 6.994 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.741 5.786 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.017 4.698 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 127 40.555 5.799 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 127 40.112 7.339 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 127 38.006 7.134 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 127 39.040 6.022 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 127 40.819 7.791 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 127 39.726 8.900 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 39.711 9.227 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 38.187 8.689 0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 39.246 7.615 1.231 1.00 0.00 H new ATOM 2038 N GLN A 128 37.640 5.111 -6.819 1.00 0.00 N ATOM 2039 CA GLN A 128 37.491 4.033 -7.785 1.00 0.00 C ATOM 2040 C GLN A 128 37.044 4.565 -9.138 1.00 0.00 C ATOM 2041 O GLN A 128 35.850 4.608 -9.441 1.00 0.00 O ATOM 2042 CB GLN A 128 36.484 2.999 -7.278 1.00 0.00 C ATOM 2043 CG GLN A 128 37.048 2.079 -6.214 1.00 0.00 C ATOM 2044 CD GLN A 128 37.159 0.642 -6.681 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.513 0.374 -7.830 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.860 -0.294 -5.797 1.00 0.00 N ATOM 0 H GLN A 128 36.848 5.752 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 128 38.465 3.558 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 128 35.614 3.518 -6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 128 36.136 2.399 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 128 38.033 2.437 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.412 2.121 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.571 -0.032 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 128 36.919 -1.279 -6.057 1.00 0.00 H new ATOM 2055 N GLN A 129 38.007 4.976 -9.938 1.00 0.00 N ATOM 2056 CA GLN A 129 37.743 5.444 -11.286 1.00 0.00 C ATOM 2057 C GLN A 129 38.889 5.024 -12.192 1.00 0.00 C ATOM 2058 O GLN A 129 39.887 4.483 -11.664 1.00 0.00 O ATOM 2059 CB GLN A 129 37.552 6.968 -11.309 1.00 0.00 C ATOM 2060 CG GLN A 129 38.853 7.757 -11.333 1.00 0.00 C ATOM 2061 CD GLN A 129 39.011 8.591 -12.593 1.00 0.00 C ATOM 2062 OE1 GLN A 129 39.140 9.813 -12.532 1.00 0.00 O ATOM 2063 NE2 GLN A 129 39.001 7.937 -13.744 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.803 5.240 -13.417 1.00 0.00 O ATOM 0 H GLN A 129 38.992 4.996 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 129 36.818 4.996 -11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 129 36.961 7.236 -12.185 1.00 0.00 H new ATOM 0 HB3 GLN A 129 36.976 7.264 -10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 129 38.892 8.411 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.693 7.067 -11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 129 38.892 6.923 -13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 129 39.103 8.447 -14.621 1.00 0.00 H new