USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 Single : A 11 THR OG1 : rot -48:sc= 0.351 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.38 F(o=-3!,f=-1.4) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 18 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= -0.0583 (180deg=-0.275) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.624 (180deg=0.584) USER MOD Single : A 29 SER OG : rot 94:sc= 0.885 USER MOD Single : A 43 THR OG1 : rot 34:sc= 0.216 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.09) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 64 SER OG : rot 180:sc= 0.13 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00267 X(o=-0.0027,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 80 MET CE :methyl 176:sc= -1.02 (180deg=-1.17) USER MOD Single : A 81 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.78) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 86 CYS SG : rot 60:sc= -1 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.21) USER MOD Single : A 93 MET CE :methyl -103:sc= -2.04! (180deg=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 5.864 1.659 -7.503 1.00 0.00 N ATOM 94 CA GLU A 9 4.520 1.211 -7.734 1.00 0.00 C ATOM 95 C GLU A 9 4.518 -0.286 -7.983 1.00 0.00 C ATOM 96 O GLU A 9 3.595 -0.986 -7.577 1.00 0.00 O ATOM 97 CB GLU A 9 3.925 1.982 -8.908 1.00 0.00 C ATOM 98 CG GLU A 9 2.457 1.687 -9.193 1.00 0.00 C ATOM 99 CD GLU A 9 1.965 2.374 -10.442 1.00 0.00 C ATOM 100 OE1 GLU A 9 1.653 3.573 -10.398 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.902 1.721 -11.508 1.00 0.00 O ATOM 0 HA GLU A 9 3.902 1.403 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.035 3.049 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.506 1.758 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.319 0.611 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.853 2.007 -8.344 1.00 0.00 H new ATOM 108 N TRP A 10 5.585 -0.773 -8.613 1.00 0.00 N ATOM 109 CA TRP A 10 5.773 -2.183 -8.850 1.00 0.00 C ATOM 110 C TRP A 10 5.781 -2.956 -7.540 1.00 0.00 C ATOM 111 O TRP A 10 5.102 -3.959 -7.417 1.00 0.00 O ATOM 112 CB TRP A 10 7.077 -2.461 -9.637 1.00 0.00 C ATOM 113 CG TRP A 10 7.429 -3.917 -9.720 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.999 -4.812 -10.640 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.277 -4.641 -8.820 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.512 -6.054 -10.359 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.303 -5.968 -9.246 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.009 -4.283 -7.693 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.032 -6.944 -8.578 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.728 -5.242 -7.033 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.737 -6.558 -7.473 1.00 0.00 C ATOM 0 H TRP A 10 6.341 -0.189 -8.971 1.00 0.00 H new ATOM 0 HA TRP A 10 4.933 -2.523 -9.456 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.974 -2.062 -10.646 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.899 -1.923 -9.164 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.349 -4.583 -11.472 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.332 -6.904 -10.894 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.010 -3.261 -7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.041 -7.969 -8.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.297 -4.971 -6.156 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.313 -7.293 -6.931 1.00 0.00 H new ATOM 132 N THR A 11 6.520 -2.481 -6.568 1.00 0.00 N ATOM 133 CA THR A 11 6.641 -3.201 -5.318 1.00 0.00 C ATOM 134 C THR A 11 5.288 -3.289 -4.625 1.00 0.00 C ATOM 135 O THR A 11 4.874 -4.366 -4.182 1.00 0.00 O ATOM 136 CB THR A 11 7.693 -2.567 -4.389 1.00 0.00 C ATOM 137 OG1 THR A 11 8.927 -2.386 -5.109 1.00 0.00 O ATOM 138 CG2 THR A 11 7.949 -3.478 -3.206 1.00 0.00 C ATOM 0 H THR A 11 7.044 -1.607 -6.614 1.00 0.00 H new ATOM 0 HA THR A 11 6.983 -4.210 -5.549 1.00 0.00 H new ATOM 0 HB THR A 11 7.321 -1.604 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.156 -3.215 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.694 -3.025 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.022 -3.625 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.316 -4.441 -3.561 1.00 0.00 H new ATOM 146 N LEU A 12 4.591 -2.172 -4.603 1.00 0.00 N ATOM 147 CA LEU A 12 3.268 -2.096 -4.028 1.00 0.00 C ATOM 148 C LEU A 12 2.304 -3.022 -4.753 1.00 0.00 C ATOM 149 O LEU A 12 1.631 -3.842 -4.130 1.00 0.00 O ATOM 150 CB LEU A 12 2.756 -0.669 -4.107 1.00 0.00 C ATOM 151 CG LEU A 12 3.412 0.347 -3.182 1.00 0.00 C ATOM 152 CD1 LEU A 12 2.875 1.736 -3.470 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.144 -0.023 -1.733 1.00 0.00 C ATOM 0 H LEU A 12 4.929 -1.289 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 12 3.330 -2.409 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.876 -0.321 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.687 -0.679 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 12 4.488 0.341 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.350 2.455 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.091 2.002 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.797 1.750 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.616 0.708 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.069 -0.031 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.554 -1.012 -1.528 1.00 0.00 H new ATOM 165 N GLN A 13 2.281 -2.921 -6.079 1.00 0.00 N ATOM 166 CA GLN A 13 1.358 -3.694 -6.887 1.00 0.00 C ATOM 167 C GLN A 13 1.629 -5.185 -6.750 1.00 0.00 C ATOM 168 O GLN A 13 0.725 -5.935 -6.587 1.00 0.00 O ATOM 169 CB GLN A 13 1.372 -3.240 -8.362 1.00 0.00 C ATOM 170 CG GLN A 13 2.603 -3.639 -9.156 1.00 0.00 C ATOM 171 CD GLN A 13 2.718 -2.937 -10.496 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.293 -1.702 -10.564 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.244 -3.496 -11.459 1.00 0.00 N flip ATOM 0 H GLN A 13 2.896 -2.307 -6.613 1.00 0.00 H new ATOM 0 HA GLN A 13 0.352 -3.508 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.492 -3.649 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.278 -2.154 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.492 -3.422 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.585 -4.716 -9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.566 -4.460 -11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.358 -2.995 -12.340 1.00 0.00 H new ATOM 182 N THR A 14 2.892 -5.573 -6.730 1.00 0.00 N ATOM 183 CA THR A 14 3.280 -6.969 -6.610 1.00 0.00 C ATOM 184 C THR A 14 2.750 -7.582 -5.298 1.00 0.00 C ATOM 185 O THR A 14 2.352 -8.739 -5.258 1.00 0.00 O ATOM 186 CB THR A 14 4.814 -7.084 -6.728 1.00 0.00 C ATOM 187 OG1 THR A 14 5.196 -6.511 -7.990 1.00 0.00 O ATOM 188 CG2 THR A 14 5.293 -8.522 -6.703 1.00 0.00 C ATOM 0 H THR A 14 3.680 -4.928 -6.797 1.00 0.00 H new ATOM 0 HA THR A 14 2.830 -7.541 -7.421 1.00 0.00 H new ATOM 0 HB THR A 14 5.261 -6.569 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.433 -5.569 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.379 -8.545 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.993 -8.989 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.851 -9.067 -7.537 1.00 0.00 H new ATOM 196 N LEU A 15 2.688 -6.782 -4.260 1.00 0.00 N ATOM 197 CA LEU A 15 2.126 -7.212 -2.991 1.00 0.00 C ATOM 198 C LEU A 15 0.609 -7.274 -3.105 1.00 0.00 C ATOM 199 O LEU A 15 -0.015 -8.268 -2.756 1.00 0.00 O ATOM 200 CB LEU A 15 2.516 -6.223 -1.905 1.00 0.00 C ATOM 201 CG LEU A 15 4.008 -6.107 -1.615 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.281 -4.833 -0.844 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.481 -7.310 -0.802 1.00 0.00 C ATOM 0 H LEU A 15 3.023 -5.818 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 15 2.511 -8.200 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.143 -5.238 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.007 -6.506 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 15 4.550 -6.082 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.349 -4.754 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.960 -3.975 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.731 -4.852 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.548 -7.216 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.936 -7.349 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.297 -8.225 -1.365 1.00 0.00 H new ATOM 215 N LEU A 16 0.034 -6.233 -3.668 1.00 0.00 N ATOM 216 CA LEU A 16 -1.410 -6.100 -3.797 1.00 0.00 C ATOM 217 C LEU A 16 -1.995 -7.035 -4.875 1.00 0.00 C ATOM 218 O LEU A 16 -3.196 -7.198 -4.990 1.00 0.00 O ATOM 219 CB LEU A 16 -1.773 -4.646 -4.069 1.00 0.00 C ATOM 220 CG LEU A 16 -1.383 -3.638 -2.974 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.655 -2.221 -3.428 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.141 -3.914 -1.692 1.00 0.00 C ATOM 0 H LEU A 16 0.556 -5.446 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.858 -6.408 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.297 -4.342 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.850 -4.584 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.316 -3.752 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.372 -1.525 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.073 -2.008 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.716 -2.107 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.848 -3.189 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.212 -3.833 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.909 -4.920 -1.341 1.00 0.00 H new ATOM 234 N GLU A 17 -1.146 -7.613 -5.673 1.00 0.00 N ATOM 235 CA GLU A 17 -1.569 -8.606 -6.637 1.00 0.00 C ATOM 236 C GLU A 17 -1.530 -9.996 -5.997 1.00 0.00 C ATOM 237 O GLU A 17 -2.077 -10.963 -6.528 1.00 0.00 O ATOM 238 CB GLU A 17 -0.707 -8.550 -7.905 1.00 0.00 C ATOM 239 CG GLU A 17 -0.878 -7.267 -8.732 1.00 0.00 C ATOM 240 CD GLU A 17 0.005 -7.265 -9.955 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.339 -7.930 -10.958 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.062 -6.605 -9.954 1.00 0.00 O ATOM 0 H GLU A 17 -0.145 -7.416 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.594 -8.390 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.341 -8.648 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.949 -9.407 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.920 -7.167 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.642 -6.402 -8.113 1.00 0.00 H new ATOM 249 N GLN A 18 -0.897 -10.075 -4.839 1.00 0.00 N ATOM 250 CA GLN A 18 -0.813 -11.312 -4.072 1.00 0.00 C ATOM 251 C GLN A 18 -1.873 -11.329 -2.966 1.00 0.00 C ATOM 252 O GLN A 18 -2.210 -12.383 -2.429 1.00 0.00 O ATOM 253 CB GLN A 18 0.597 -11.490 -3.484 1.00 0.00 C ATOM 254 CG GLN A 18 1.675 -11.769 -4.526 1.00 0.00 C ATOM 255 CD GLN A 18 3.071 -11.848 -3.926 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.529 -12.912 -3.511 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.765 -10.749 -3.913 1.00 0.00 N ATOM 0 H GLN A 18 -0.425 -9.284 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.007 -12.149 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.865 -10.589 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.579 -12.310 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.449 -12.707 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.654 -10.985 -5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.356 -9.883 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.719 -10.752 -3.551 1.00 0.00 H new ATOM 266 N LEU A 19 -2.386 -10.159 -2.637 1.00 0.00 N ATOM 267 CA LEU A 19 -3.423 -10.022 -1.634 1.00 0.00 C ATOM 268 C LEU A 19 -4.513 -9.141 -2.243 1.00 0.00 C ATOM 269 O LEU A 19 -4.229 -8.039 -2.660 1.00 0.00 O ATOM 270 CB LEU A 19 -2.826 -9.355 -0.349 1.00 0.00 C ATOM 271 CG LEU A 19 -2.632 -7.819 -0.379 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.795 -7.080 0.267 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.311 -7.372 0.169 1.00 0.00 C ATOM 0 H LEU A 19 -2.095 -9.277 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.832 -10.990 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.476 -9.598 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.858 -9.815 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.622 -7.548 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.614 -6.006 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.716 -7.315 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.889 -7.389 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.244 -6.285 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.221 -7.692 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.505 -7.814 -0.418 1.00 0.00 H new ATOM 285 N ASN A 20 -5.731 -9.628 -2.374 1.00 0.00 N ATOM 286 CA ASN A 20 -6.792 -8.782 -2.944 1.00 0.00 C ATOM 287 C ASN A 20 -8.198 -9.323 -2.747 1.00 0.00 C ATOM 288 O ASN A 20 -9.024 -8.629 -2.167 1.00 0.00 O ATOM 289 CB ASN A 20 -6.512 -8.393 -4.431 1.00 0.00 C ATOM 290 CG ASN A 20 -6.266 -9.581 -5.339 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.164 -10.078 -6.016 1.00 0.00 O ATOM 292 ND2 ASN A 20 -5.059 -10.076 -5.301 1.00 0.00 N ATOM 0 H ASN A 20 -6.017 -10.570 -2.108 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.758 -7.863 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.360 -7.825 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.644 -7.734 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.831 -10.907 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.344 -9.632 -4.726 1.00 0.00 H new ATOM 299 N GLU A 21 -8.418 -10.581 -3.126 1.00 0.00 N ATOM 300 CA GLU A 21 -9.750 -11.240 -3.153 1.00 0.00 C ATOM 301 C GLU A 21 -10.590 -10.929 -1.873 1.00 0.00 C ATOM 302 O GLU A 21 -11.617 -10.267 -1.951 1.00 0.00 O ATOM 303 CB GLU A 21 -9.527 -12.758 -3.377 1.00 0.00 C ATOM 304 CG GLU A 21 -10.725 -13.577 -3.870 1.00 0.00 C ATOM 305 CD GLU A 21 -11.827 -13.731 -2.867 1.00 0.00 C ATOM 306 OE1 GLU A 21 -11.650 -14.482 -1.891 1.00 0.00 O ATOM 307 OE2 GLU A 21 -12.906 -13.129 -3.060 1.00 0.00 O ATOM 0 H GLU A 21 -7.665 -11.197 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.345 -10.841 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.717 -12.878 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.185 -13.192 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.129 -13.104 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.376 -14.567 -4.163 1.00 0.00 H new ATOM 314 N ASP A 22 -10.142 -11.385 -0.728 1.00 0.00 N ATOM 315 CA ASP A 22 -10.818 -11.064 0.552 1.00 0.00 C ATOM 316 C ASP A 22 -9.856 -10.262 1.425 1.00 0.00 C ATOM 317 O ASP A 22 -10.169 -9.801 2.526 1.00 0.00 O ATOM 318 CB ASP A 22 -11.273 -12.371 1.253 1.00 0.00 C ATOM 319 CG ASP A 22 -11.942 -12.188 2.611 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.155 -11.889 2.674 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.269 -12.382 3.647 1.00 0.00 O ATOM 0 H ASP A 22 -9.318 -11.978 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.710 -10.464 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.966 -12.894 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.404 -13.017 1.379 1.00 0.00 H new ATOM 326 N GLU A 23 -8.716 -10.020 0.851 1.00 0.00 N ATOM 327 CA GLU A 23 -7.592 -9.415 1.533 1.00 0.00 C ATOM 328 C GLU A 23 -7.662 -7.903 1.460 1.00 0.00 C ATOM 329 O GLU A 23 -7.369 -7.204 2.430 1.00 0.00 O ATOM 330 CB GLU A 23 -6.318 -9.849 0.841 1.00 0.00 C ATOM 331 CG GLU A 23 -6.276 -11.313 0.479 1.00 0.00 C ATOM 332 CD GLU A 23 -6.273 -12.215 1.666 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.208 -12.451 2.244 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.350 -12.712 2.029 1.00 0.00 O ATOM 0 H GLU A 23 -8.529 -10.240 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.612 -9.728 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.192 -9.259 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.471 -9.622 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.137 -11.550 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.385 -11.507 -0.118 1.00 0.00 H new ATOM 341 N LEU A 24 -8.085 -7.396 0.312 1.00 0.00 N ATOM 342 CA LEU A 24 -8.056 -5.967 0.068 1.00 0.00 C ATOM 343 C LEU A 24 -9.100 -5.273 0.915 1.00 0.00 C ATOM 344 O LEU A 24 -8.947 -4.118 1.269 1.00 0.00 O ATOM 345 CB LEU A 24 -8.273 -5.667 -1.409 1.00 0.00 C ATOM 346 CG LEU A 24 -7.482 -4.492 -1.977 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.984 -4.750 -1.864 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.856 -4.264 -3.418 1.00 0.00 C ATOM 0 H LEU A 24 -8.451 -7.952 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.073 -5.587 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.021 -6.560 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.334 -5.476 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.727 -3.601 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.437 -3.901 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.716 -4.883 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.727 -5.651 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.286 -3.423 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.632 -5.159 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.921 -4.044 -3.487 1.00 0.00 H new ATOM 360 N LYS A 25 -10.139 -6.022 1.258 1.00 0.00 N ATOM 361 CA LYS A 25 -11.218 -5.568 2.137 1.00 0.00 C ATOM 362 C LYS A 25 -10.624 -5.085 3.449 1.00 0.00 C ATOM 363 O LYS A 25 -10.928 -3.986 3.937 1.00 0.00 O ATOM 364 CB LYS A 25 -12.127 -6.756 2.418 1.00 0.00 C ATOM 365 CG LYS A 25 -12.722 -7.361 1.175 1.00 0.00 C ATOM 366 CD LYS A 25 -13.338 -8.704 1.459 1.00 0.00 C ATOM 367 CE LYS A 25 -13.992 -9.292 0.219 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.078 -8.445 -0.311 1.00 0.00 N ATOM 0 H LYS A 25 -10.262 -6.980 0.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.775 -4.757 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.560 -7.520 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.933 -6.439 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.479 -6.690 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.949 -7.467 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.571 -9.387 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.081 -8.604 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.236 -9.431 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.390 -10.279 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.650 -8.994 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.681 -8.123 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.670 -7.620 -0.796 1.00 0.00 H new ATOM 382 N SER A 26 -9.746 -5.906 3.977 1.00 0.00 N ATOM 383 CA SER A 26 -9.057 -5.670 5.173 1.00 0.00 C ATOM 384 C SER A 26 -8.102 -4.506 5.015 1.00 0.00 C ATOM 385 O SER A 26 -8.182 -3.536 5.750 1.00 0.00 O ATOM 386 CB SER A 26 -8.301 -6.926 5.464 1.00 0.00 C ATOM 387 OG SER A 26 -9.186 -8.035 5.586 1.00 0.00 O ATOM 0 H SER A 26 -9.498 -6.795 3.543 1.00 0.00 H new ATOM 0 HA SER A 26 -9.741 -5.415 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.582 -7.115 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.731 -6.807 6.386 1.00 0.00 H new ATOM 0 HG SER A 26 -8.670 -8.846 5.775 1.00 0.00 H new ATOM 393 N PHE A 27 -7.243 -4.611 4.018 1.00 0.00 N ATOM 394 CA PHE A 27 -6.220 -3.617 3.712 1.00 0.00 C ATOM 395 C PHE A 27 -6.825 -2.191 3.614 1.00 0.00 C ATOM 396 O PHE A 27 -6.327 -1.256 4.244 1.00 0.00 O ATOM 397 CB PHE A 27 -5.527 -4.031 2.403 1.00 0.00 C ATOM 398 CG PHE A 27 -4.370 -3.158 1.953 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.584 -1.971 1.268 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.062 -3.535 2.228 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.522 -1.182 0.867 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.997 -2.749 1.829 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.228 -1.571 1.150 1.00 0.00 C ATOM 0 H PHE A 27 -7.234 -5.407 3.381 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.487 -3.581 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.162 -5.052 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.274 -4.046 1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.594 -1.659 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.874 -4.455 2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.705 -0.262 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.985 -3.057 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.398 -0.954 0.840 1.00 0.00 H new ATOM 413 N LYS A 28 -7.918 -2.059 2.860 1.00 0.00 N ATOM 414 CA LYS A 28 -8.611 -0.771 2.684 1.00 0.00 C ATOM 415 C LYS A 28 -9.117 -0.232 4.025 1.00 0.00 C ATOM 416 O LYS A 28 -8.946 0.938 4.345 1.00 0.00 O ATOM 417 CB LYS A 28 -9.791 -0.920 1.701 1.00 0.00 C ATOM 418 CG LYS A 28 -9.381 -1.264 0.270 1.00 0.00 C ATOM 419 CD LYS A 28 -10.591 -1.538 -0.626 1.00 0.00 C ATOM 420 CE LYS A 28 -10.143 -1.866 -2.046 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.262 -2.212 -2.954 1.00 0.00 N ATOM 0 H LYS A 28 -8.349 -2.833 2.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.894 -0.061 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.460 -1.697 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.358 0.011 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.800 -0.442 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.732 -2.140 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.170 -2.368 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.247 -0.667 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.605 -1.011 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.441 -2.699 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.885 -2.456 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.784 -3.025 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.904 -1.398 -3.040 1.00 0.00 H new ATOM 435 N SER A 29 -9.696 -1.106 4.804 1.00 0.00 N ATOM 436 CA SER A 29 -10.253 -0.780 6.068 1.00 0.00 C ATOM 437 C SER A 29 -9.177 -0.402 7.090 1.00 0.00 C ATOM 438 O SER A 29 -9.286 0.598 7.793 1.00 0.00 O ATOM 439 CB SER A 29 -10.997 -1.990 6.521 1.00 0.00 C ATOM 440 OG SER A 29 -12.169 -2.222 5.742 1.00 0.00 O ATOM 0 H SER A 29 -9.790 -2.092 4.559 1.00 0.00 H new ATOM 0 HA SER A 29 -10.905 0.089 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.344 -2.860 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.276 -1.873 7.568 1.00 0.00 H new ATOM 0 HG SER A 29 -11.960 -2.842 5.013 1.00 0.00 H new ATOM 446 N LEU A 30 -8.170 -1.212 7.169 1.00 0.00 N ATOM 447 CA LEU A 30 -7.039 -1.007 8.066 1.00 0.00 C ATOM 448 C LEU A 30 -6.289 0.279 7.759 1.00 0.00 C ATOM 449 O LEU A 30 -5.749 0.921 8.666 1.00 0.00 O ATOM 450 CB LEU A 30 -6.099 -2.191 7.984 1.00 0.00 C ATOM 451 CG LEU A 30 -6.670 -3.518 8.461 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.754 -4.632 8.044 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.816 -3.523 9.970 1.00 0.00 C ATOM 0 H LEU A 30 -8.094 -2.059 6.606 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.432 -0.918 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.777 -2.306 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.209 -1.967 8.572 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.654 -3.658 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.161 -5.584 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.665 -4.643 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.770 -4.479 8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.226 -4.480 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.840 -3.373 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.488 -2.720 10.273 1.00 0.00 H new ATOM 465 N LEU A 31 -6.274 0.683 6.497 1.00 0.00 N ATOM 466 CA LEU A 31 -5.592 1.906 6.135 1.00 0.00 C ATOM 467 C LEU A 31 -6.456 3.103 6.526 1.00 0.00 C ATOM 468 O LEU A 31 -5.981 4.210 6.666 1.00 0.00 O ATOM 469 CB LEU A 31 -5.158 1.898 4.630 1.00 0.00 C ATOM 470 CG LEU A 31 -6.171 2.280 3.533 1.00 0.00 C ATOM 471 CD1 LEU A 31 -6.236 3.786 3.366 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.800 1.621 2.213 1.00 0.00 C ATOM 0 H LEU A 31 -6.719 0.189 5.723 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.659 1.988 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.307 2.573 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.797 0.895 4.402 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.155 1.923 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.957 4.035 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.545 4.243 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.253 4.164 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.526 1.901 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.807 1.951 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.801 0.538 2.334 1.00 0.00 H new ATOM 484 N TRP A 32 -7.723 2.842 6.752 1.00 0.00 N ATOM 485 CA TRP A 32 -8.645 3.863 7.168 1.00 0.00 C ATOM 486 C TRP A 32 -8.687 3.916 8.687 1.00 0.00 C ATOM 487 O TRP A 32 -9.283 4.823 9.281 1.00 0.00 O ATOM 488 CB TRP A 32 -10.037 3.543 6.642 1.00 0.00 C ATOM 489 CG TRP A 32 -10.711 4.735 6.096 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.763 5.430 6.614 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.339 5.384 4.910 1.00 0.00 C ATOM 492 NE1 TRP A 32 -12.065 6.486 5.786 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.199 6.471 4.728 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.348 5.132 3.978 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -11.096 7.318 3.637 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.241 5.968 2.892 1.00 0.00 C ATOM 497 CH2 TRP A 32 -10.113 7.051 2.731 1.00 0.00 C ATOM 0 H TRP A 32 -8.139 1.916 6.652 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.319 4.825 6.773 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.965 2.781 5.866 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.640 3.123 7.447 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.279 5.189 7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.810 7.166 5.936 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.674 4.297 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.766 8.155 3.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.474 5.787 2.153 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.004 7.691 1.868 1.00 0.00 H new ATOM 508 N ALA A 33 -8.060 2.932 9.305 1.00 0.00 N ATOM 509 CA ALA A 33 -8.062 2.793 10.740 1.00 0.00 C ATOM 510 C ALA A 33 -6.909 3.535 11.378 1.00 0.00 C ATOM 511 O ALA A 33 -7.037 4.036 12.494 1.00 0.00 O ATOM 512 CB ALA A 33 -8.030 1.329 11.136 1.00 0.00 C ATOM 0 H ALA A 33 -7.534 2.206 8.819 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.986 3.238 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.032 1.246 12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.907 0.823 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.128 0.864 10.738 1.00 0.00 H new ATOM 518 N PHE A 34 -5.776 3.613 10.692 1.00 0.00 N ATOM 519 CA PHE A 34 -4.660 4.327 11.250 1.00 0.00 C ATOM 520 C PHE A 34 -4.924 5.823 11.093 1.00 0.00 C ATOM 521 O PHE A 34 -5.669 6.222 10.182 1.00 0.00 O ATOM 522 CB PHE A 34 -3.295 3.899 10.612 1.00 0.00 C ATOM 523 CG PHE A 34 -2.988 4.410 9.219 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.505 5.698 9.029 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.153 3.604 8.119 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.211 6.170 7.770 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.856 4.070 6.849 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.388 5.357 6.677 1.00 0.00 C ATOM 0 H PHE A 34 -5.617 3.199 9.773 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.568 4.080 12.308 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.495 4.227 11.276 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.261 2.810 10.587 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.357 6.341 9.884 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.518 2.596 8.246 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.842 7.177 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.991 3.426 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.162 5.724 5.687 1.00 0.00 H new ATOM 672 N THR A 43 -7.973 10.962 0.840 1.00 0.00 N ATOM 673 CA THR A 43 -7.833 9.676 0.173 1.00 0.00 C ATOM 674 C THR A 43 -9.147 9.226 -0.516 1.00 0.00 C ATOM 675 O THR A 43 -10.030 8.671 0.128 1.00 0.00 O ATOM 676 CB THR A 43 -7.292 8.610 1.145 1.00 0.00 C ATOM 677 OG1 THR A 43 -6.101 9.138 1.767 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.924 7.330 0.396 1.00 0.00 C ATOM 0 HA THR A 43 -7.100 9.798 -0.625 1.00 0.00 H new ATOM 0 HB THR A 43 -8.058 8.374 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.193 10.107 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.544 6.592 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.808 6.934 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.157 7.550 -0.346 1.00 0.00 H new ATOM 686 N PRO A 44 -9.290 9.485 -1.839 1.00 0.00 N ATOM 687 CA PRO A 44 -10.531 9.196 -2.584 1.00 0.00 C ATOM 688 C PRO A 44 -10.961 7.727 -2.469 1.00 0.00 C ATOM 689 O PRO A 44 -10.434 6.853 -3.169 1.00 0.00 O ATOM 690 CB PRO A 44 -10.173 9.547 -4.041 1.00 0.00 C ATOM 691 CG PRO A 44 -8.683 9.552 -4.073 1.00 0.00 C ATOM 692 CD PRO A 44 -8.252 10.040 -2.727 1.00 0.00 C ATOM 0 HA PRO A 44 -11.376 9.764 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.582 8.814 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.579 10.518 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.292 8.554 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.310 10.203 -4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.258 9.679 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.219 11.129 -2.682 1.00 0.00 H new ATOM 700 N TRP A 45 -11.900 7.461 -1.572 1.00 0.00 N ATOM 701 CA TRP A 45 -12.346 6.114 -1.310 1.00 0.00 C ATOM 702 C TRP A 45 -13.097 5.548 -2.502 1.00 0.00 C ATOM 703 O TRP A 45 -13.059 4.366 -2.724 1.00 0.00 O ATOM 704 CB TRP A 45 -13.181 6.015 -0.006 1.00 0.00 C ATOM 705 CG TRP A 45 -13.632 4.601 0.349 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.725 3.952 -0.142 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.012 3.675 1.266 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.822 2.703 0.395 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.794 2.501 1.261 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.884 3.715 2.085 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.485 1.388 2.037 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.581 2.605 2.858 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.376 1.459 2.828 1.00 0.00 C ATOM 0 H TRP A 45 -12.368 8.174 -1.012 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.457 5.503 -1.155 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.591 6.413 0.820 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -14.061 6.650 -0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.418 4.369 -0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.553 2.025 0.180 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.258 4.595 2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.100 0.501 2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.711 2.628 3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.108 0.612 3.443 1.00 0.00 H new ATOM 724 N SER A 46 -13.735 6.399 -3.296 1.00 0.00 N ATOM 725 CA SER A 46 -14.450 5.915 -4.468 1.00 0.00 C ATOM 726 C SER A 46 -13.440 5.286 -5.443 1.00 0.00 C ATOM 727 O SER A 46 -13.721 4.263 -6.093 1.00 0.00 O ATOM 728 CB SER A 46 -15.251 7.042 -5.136 1.00 0.00 C ATOM 729 OG SER A 46 -16.123 6.531 -6.135 1.00 0.00 O ATOM 0 H SER A 46 -13.772 7.408 -3.154 1.00 0.00 H new ATOM 0 HA SER A 46 -15.172 5.157 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.830 7.576 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.566 7.763 -5.582 1.00 0.00 H new ATOM 0 HG SER A 46 -16.622 7.270 -6.543 1.00 0.00 H new ATOM 735 N GLU A 47 -12.252 5.879 -5.501 1.00 0.00 N ATOM 736 CA GLU A 47 -11.157 5.329 -6.267 1.00 0.00 C ATOM 737 C GLU A 47 -10.710 4.025 -5.629 1.00 0.00 C ATOM 738 O GLU A 47 -10.642 3.007 -6.294 1.00 0.00 O ATOM 739 CB GLU A 47 -9.992 6.316 -6.311 1.00 0.00 C ATOM 740 CG GLU A 47 -10.228 7.523 -7.194 1.00 0.00 C ATOM 741 CD GLU A 47 -10.165 7.170 -8.657 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.056 7.199 -9.230 1.00 0.00 O ATOM 743 OE2 GLU A 47 -11.207 6.843 -9.254 1.00 0.00 O ATOM 0 H GLU A 47 -12.029 6.750 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.489 5.142 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.783 6.658 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.102 5.793 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.203 7.954 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.482 8.286 -6.972 1.00 0.00 H new ATOM 750 N VAL A 48 -10.458 4.081 -4.321 1.00 0.00 N ATOM 751 CA VAL A 48 -10.008 2.930 -3.514 1.00 0.00 C ATOM 752 C VAL A 48 -10.953 1.726 -3.649 1.00 0.00 C ATOM 753 O VAL A 48 -10.512 0.607 -3.888 1.00 0.00 O ATOM 754 CB VAL A 48 -9.919 3.313 -2.002 1.00 0.00 C ATOM 755 CG1 VAL A 48 -9.546 2.126 -1.130 1.00 0.00 C ATOM 756 CG2 VAL A 48 -8.956 4.456 -1.777 1.00 0.00 C ATOM 0 H VAL A 48 -10.560 4.938 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.024 2.655 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.916 3.639 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.496 2.441 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.299 1.345 -1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.575 1.739 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.919 4.696 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.962 4.167 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.292 5.330 -2.335 1.00 0.00 H new ATOM 766 N GLU A 49 -12.235 1.986 -3.492 1.00 0.00 N ATOM 767 CA GLU A 49 -13.280 0.987 -3.501 1.00 0.00 C ATOM 768 C GLU A 49 -13.256 0.186 -4.779 1.00 0.00 C ATOM 769 O GLU A 49 -13.135 -1.038 -4.750 1.00 0.00 O ATOM 770 CB GLU A 49 -14.614 1.670 -3.348 1.00 0.00 C ATOM 771 CG GLU A 49 -15.629 0.818 -2.622 1.00 0.00 C ATOM 772 CD GLU A 49 -16.137 -0.386 -3.390 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.063 -0.242 -4.218 1.00 0.00 O ATOM 774 OE2 GLU A 49 -15.638 -1.498 -3.160 1.00 0.00 O ATOM 0 H GLU A 49 -12.588 2.932 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.115 0.299 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.478 2.606 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.001 1.926 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.186 0.471 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.481 1.444 -2.357 1.00 0.00 H new ATOM 781 N GLU A 50 -13.284 0.877 -5.899 1.00 0.00 N ATOM 782 CA GLU A 50 -13.345 0.214 -7.183 1.00 0.00 C ATOM 783 C GLU A 50 -11.960 -0.198 -7.688 1.00 0.00 C ATOM 784 O GLU A 50 -11.818 -0.755 -8.787 1.00 0.00 O ATOM 785 CB GLU A 50 -14.074 1.072 -8.206 1.00 0.00 C ATOM 786 CG GLU A 50 -15.499 1.406 -7.798 1.00 0.00 C ATOM 787 CD GLU A 50 -16.319 1.997 -8.913 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.888 1.229 -9.702 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.456 3.235 -8.997 1.00 0.00 O ATOM 0 H GLU A 50 -13.266 1.896 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.915 -0.704 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.519 1.998 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.089 0.551 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.988 0.500 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.475 2.107 -6.964 1.00 0.00 H new ATOM 796 N ALA A 51 -10.960 0.069 -6.894 1.00 0.00 N ATOM 797 CA ALA A 51 -9.607 -0.299 -7.211 1.00 0.00 C ATOM 798 C ALA A 51 -9.264 -1.608 -6.588 1.00 0.00 C ATOM 799 O ALA A 51 -9.752 -1.957 -5.493 1.00 0.00 O ATOM 800 CB ALA A 51 -8.629 0.732 -6.732 1.00 0.00 C ATOM 0 H ALA A 51 -11.062 0.552 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.540 -0.372 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.617 0.420 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.846 1.688 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.712 0.838 -5.650 1.00 0.00 H new ATOM 806 N ASP A 52 -8.433 -2.321 -7.256 1.00 0.00 N ATOM 807 CA ASP A 52 -7.969 -3.581 -6.799 1.00 0.00 C ATOM 808 C ASP A 52 -6.516 -3.683 -7.135 1.00 0.00 C ATOM 809 O ASP A 52 -6.077 -3.053 -8.099 1.00 0.00 O ATOM 810 CB ASP A 52 -8.729 -4.733 -7.467 1.00 0.00 C ATOM 811 CG ASP A 52 -8.437 -4.854 -8.957 1.00 0.00 C ATOM 812 OD1 ASP A 52 -9.090 -4.161 -9.760 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.551 -5.646 -9.334 1.00 0.00 O ATOM 0 H ASP A 52 -8.047 -2.039 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.132 -3.656 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.466 -5.669 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.799 -4.587 -7.323 1.00 0.00 H new ATOM 818 N GLY A 53 -5.779 -4.387 -6.285 1.00 0.00 N ATOM 819 CA GLY A 53 -4.375 -4.706 -6.498 1.00 0.00 C ATOM 820 C GLY A 53 -3.531 -3.571 -7.042 1.00 0.00 C ATOM 821 O GLY A 53 -3.211 -2.613 -6.327 1.00 0.00 O ATOM 0 H GLY A 53 -6.149 -4.759 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.946 -5.035 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.311 -5.548 -7.187 1.00 0.00 H new ATOM 825 N LYS A 54 -3.233 -3.663 -8.337 1.00 0.00 N ATOM 826 CA LYS A 54 -2.384 -2.712 -9.033 1.00 0.00 C ATOM 827 C LYS A 54 -2.945 -1.313 -8.980 1.00 0.00 C ATOM 828 O LYS A 54 -2.208 -0.346 -8.777 1.00 0.00 O ATOM 829 CB LYS A 54 -2.200 -3.097 -10.474 1.00 0.00 C ATOM 830 CG LYS A 54 -0.977 -2.427 -11.042 1.00 0.00 C ATOM 831 CD LYS A 54 -0.956 -2.388 -12.538 1.00 0.00 C ATOM 832 CE LYS A 54 -1.966 -1.396 -13.017 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.946 -1.240 -14.492 1.00 0.00 N ATOM 0 H LYS A 54 -3.582 -4.412 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.422 -2.731 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.102 -4.179 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.080 -2.810 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.920 -1.408 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.089 -2.950 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.038 -2.114 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.178 -3.375 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.960 -1.711 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.774 -0.430 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.663 -0.542 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.006 -0.913 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.155 -2.155 -14.941 1.00 0.00 H new ATOM 847 N LYS A 55 -4.243 -1.200 -9.132 1.00 0.00 N ATOM 848 CA LYS A 55 -4.886 0.093 -9.119 1.00 0.00 C ATOM 849 C LYS A 55 -4.786 0.755 -7.779 1.00 0.00 C ATOM 850 O LYS A 55 -4.614 1.966 -7.699 1.00 0.00 O ATOM 851 CB LYS A 55 -6.349 0.024 -9.527 1.00 0.00 C ATOM 852 CG LYS A 55 -6.604 0.047 -11.014 1.00 0.00 C ATOM 853 CD LYS A 55 -6.165 1.369 -11.666 1.00 0.00 C ATOM 854 CE LYS A 55 -6.925 2.562 -11.101 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.507 3.847 -11.710 1.00 0.00 N ATOM 0 H LYS A 55 -4.876 -1.989 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.348 0.689 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.782 -0.887 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.876 0.862 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.072 -0.780 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.666 -0.111 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.096 1.513 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.325 1.313 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.993 2.418 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.771 2.608 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.300 4.519 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.703 4.238 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.224 3.687 -12.698 1.00 0.00 H new ATOM 869 N LEU A 56 -4.868 -0.036 -6.730 1.00 0.00 N ATOM 870 CA LEU A 56 -4.833 0.510 -5.408 1.00 0.00 C ATOM 871 C LEU A 56 -3.458 1.101 -5.110 1.00 0.00 C ATOM 872 O LEU A 56 -3.350 2.138 -4.465 1.00 0.00 O ATOM 873 CB LEU A 56 -5.273 -0.511 -4.352 1.00 0.00 C ATOM 874 CG LEU A 56 -5.447 0.049 -2.924 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.374 1.257 -2.921 1.00 0.00 C ATOM 876 CD2 LEU A 56 -6.012 -1.009 -2.014 1.00 0.00 C ATOM 0 H LEU A 56 -4.959 -1.051 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.558 1.322 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.218 -0.952 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.539 -1.317 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.465 0.356 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.480 1.632 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.955 2.039 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.352 0.966 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.130 -0.601 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.983 -1.332 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.333 -1.861 -1.982 1.00 0.00 H new ATOM 888 N ALA A 57 -2.423 0.469 -5.657 1.00 0.00 N ATOM 889 CA ALA A 57 -1.040 0.940 -5.504 1.00 0.00 C ATOM 890 C ALA A 57 -0.880 2.374 -6.025 1.00 0.00 C ATOM 891 O ALA A 57 -0.212 3.208 -5.402 1.00 0.00 O ATOM 892 CB ALA A 57 -0.086 0.014 -6.245 1.00 0.00 C ATOM 0 H ALA A 57 -2.513 -0.379 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.800 0.933 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.936 0.373 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.167 -0.994 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.343 -0.001 -7.304 1.00 0.00 H new ATOM 898 N GLU A 58 -1.545 2.660 -7.130 1.00 0.00 N ATOM 899 CA GLU A 58 -1.480 3.965 -7.772 1.00 0.00 C ATOM 900 C GLU A 58 -2.135 5.049 -6.890 1.00 0.00 C ATOM 901 O GLU A 58 -1.731 6.213 -6.891 1.00 0.00 O ATOM 902 CB GLU A 58 -2.167 3.893 -9.134 1.00 0.00 C ATOM 903 CG GLU A 58 -2.157 5.190 -9.913 1.00 0.00 C ATOM 904 CD GLU A 58 -2.894 5.068 -11.205 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.148 5.037 -11.186 1.00 0.00 O ATOM 906 OE2 GLU A 58 -2.245 4.998 -12.270 1.00 0.00 O ATOM 0 H GLU A 58 -2.148 1.993 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.434 4.240 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.681 3.122 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.201 3.579 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.608 5.979 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.127 5.488 -10.109 1.00 0.00 H new ATOM 913 N ILE A 59 -3.117 4.649 -6.127 1.00 0.00 N ATOM 914 CA ILE A 59 -3.834 5.554 -5.249 1.00 0.00 C ATOM 915 C ILE A 59 -2.960 5.918 -4.031 1.00 0.00 C ATOM 916 O ILE A 59 -2.986 7.067 -3.539 1.00 0.00 O ATOM 917 CB ILE A 59 -5.185 4.914 -4.846 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.966 4.641 -6.136 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.981 5.843 -3.921 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.093 3.670 -6.015 1.00 0.00 C ATOM 0 H ILE A 59 -3.448 3.685 -6.092 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.053 6.488 -5.767 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.013 3.988 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.363 5.586 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.270 4.271 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.925 5.369 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.404 6.038 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.180 6.784 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.576 3.551 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.709 2.706 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.818 4.043 -5.291 1.00 0.00 H new ATOM 932 N LEU A 60 -2.145 4.964 -3.591 1.00 0.00 N ATOM 933 CA LEU A 60 -1.189 5.206 -2.508 1.00 0.00 C ATOM 934 C LEU A 60 -0.123 6.206 -2.946 1.00 0.00 C ATOM 935 O LEU A 60 0.169 7.169 -2.235 1.00 0.00 O ATOM 936 CB LEU A 60 -0.505 3.902 -2.010 1.00 0.00 C ATOM 937 CG LEU A 60 -1.243 3.034 -0.958 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.475 3.807 0.331 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.547 2.480 -1.486 1.00 0.00 C ATOM 0 H LEU A 60 -2.125 4.015 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.761 5.617 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.313 3.275 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.465 4.175 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.592 2.187 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.994 3.171 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.516 4.116 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.081 4.689 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.027 1.879 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.205 3.303 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.351 1.858 -2.359 1.00 0.00 H new ATOM 951 N VAL A 61 0.419 6.007 -4.149 1.00 0.00 N ATOM 952 CA VAL A 61 1.498 6.875 -4.655 1.00 0.00 C ATOM 953 C VAL A 61 0.977 8.263 -5.019 1.00 0.00 C ATOM 954 O VAL A 61 1.745 9.204 -5.190 1.00 0.00 O ATOM 955 CB VAL A 61 2.267 6.258 -5.867 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.775 4.876 -5.537 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.431 6.234 -7.137 1.00 0.00 C ATOM 0 H VAL A 61 0.137 5.264 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 61 2.209 6.966 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 61 3.121 6.908 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.307 4.469 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.452 4.931 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.934 4.228 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.013 5.796 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.534 5.638 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.146 7.252 -7.404 1.00 0.00 H new ATOM 967 N ASN A 62 -0.330 8.377 -5.138 1.00 0.00 N ATOM 968 CA ASN A 62 -0.953 9.642 -5.450 1.00 0.00 C ATOM 969 C ASN A 62 -0.988 10.529 -4.216 1.00 0.00 C ATOM 970 O ASN A 62 -0.801 11.739 -4.306 1.00 0.00 O ATOM 971 CB ASN A 62 -2.375 9.430 -6.006 1.00 0.00 C ATOM 972 CG ASN A 62 -3.075 10.719 -6.386 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.894 11.254 -7.487 1.00 0.00 O ATOM 974 ND2 ASN A 62 -3.928 11.168 -5.532 1.00 0.00 N ATOM 0 H ASN A 62 -0.983 7.602 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.360 10.138 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.321 8.783 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.974 8.907 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.484 11.994 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.047 10.698 -4.635 1.00 0.00 H new ATOM 981 N THR A 63 -1.178 9.928 -3.065 1.00 0.00 N ATOM 982 CA THR A 63 -1.290 10.689 -1.846 1.00 0.00 C ATOM 983 C THR A 63 0.032 10.788 -1.078 1.00 0.00 C ATOM 984 O THR A 63 0.318 11.815 -0.469 1.00 0.00 O ATOM 985 CB THR A 63 -2.409 10.140 -0.944 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.303 8.706 -0.876 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.781 10.521 -1.487 1.00 0.00 C ATOM 0 H THR A 63 -1.258 8.918 -2.948 1.00 0.00 H new ATOM 0 HA THR A 63 -1.554 11.703 -2.145 1.00 0.00 H new ATOM 0 HB THR A 63 -2.299 10.572 0.050 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.013 8.352 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.555 10.121 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.867 11.607 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.904 10.108 -2.488 1.00 0.00 H new ATOM 995 N SER A 64 0.849 9.764 -1.119 1.00 0.00 N ATOM 996 CA SER A 64 2.079 9.799 -0.377 1.00 0.00 C ATOM 997 C SER A 64 3.251 9.329 -1.245 1.00 0.00 C ATOM 998 O SER A 64 3.060 8.860 -2.370 1.00 0.00 O ATOM 999 CB SER A 64 1.939 8.956 0.907 1.00 0.00 C ATOM 1000 OG SER A 64 3.065 9.102 1.766 1.00 0.00 O ATOM 0 H SER A 64 0.686 8.909 -1.651 1.00 0.00 H new ATOM 0 HA SER A 64 2.292 10.827 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.036 9.254 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.820 7.906 0.640 1.00 0.00 H new ATOM 0 HG SER A 64 2.935 8.559 2.571 1.00 0.00 H new ATOM 1006 N SER A 65 4.446 9.476 -0.725 1.00 0.00 N ATOM 1007 CA SER A 65 5.659 9.094 -1.402 1.00 0.00 C ATOM 1008 C SER A 65 6.198 7.811 -0.776 1.00 0.00 C ATOM 1009 O SER A 65 5.878 7.499 0.381 1.00 0.00 O ATOM 1010 CB SER A 65 6.666 10.234 -1.301 1.00 0.00 C ATOM 1011 OG SER A 65 6.095 11.435 -1.819 1.00 0.00 O ATOM 0 H SER A 65 4.604 9.873 0.201 1.00 0.00 H new ATOM 0 HA SER A 65 5.467 8.902 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.960 10.380 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.570 9.982 -1.856 1.00 0.00 H new ATOM 0 HG SER A 65 6.747 12.164 -1.749 1.00 0.00 H new ATOM 1017 N GLU A 66 7.030 7.091 -1.509 1.00 0.00 N ATOM 1018 CA GLU A 66 7.516 5.769 -1.099 1.00 0.00 C ATOM 1019 C GLU A 66 8.269 5.815 0.215 1.00 0.00 C ATOM 1020 O GLU A 66 8.179 4.899 1.016 1.00 0.00 O ATOM 1021 CB GLU A 66 8.386 5.120 -2.181 1.00 0.00 C ATOM 1022 CG GLU A 66 9.773 5.722 -2.411 1.00 0.00 C ATOM 1023 CD GLU A 66 9.754 7.133 -2.925 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.657 8.071 -2.117 1.00 0.00 O ATOM 1025 OE2 GLU A 66 9.834 7.331 -4.150 1.00 0.00 O ATOM 0 H GLU A 66 7.393 7.401 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 66 6.628 5.154 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.511 4.067 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.840 5.159 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.328 5.696 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.315 5.096 -3.120 1.00 0.00 H new ATOM 1032 N ASN A 67 8.959 6.913 0.444 1.00 0.00 N ATOM 1033 CA ASN A 67 9.747 7.112 1.662 1.00 0.00 C ATOM 1034 C ASN A 67 8.847 7.133 2.921 1.00 0.00 C ATOM 1035 O ASN A 67 9.313 6.987 4.049 1.00 0.00 O ATOM 1036 CB ASN A 67 10.598 8.388 1.527 1.00 0.00 C ATOM 1037 CG ASN A 67 11.562 8.613 2.682 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.254 9.325 3.647 1.00 0.00 O ATOM 1039 ND2 ASN A 67 12.723 8.006 2.608 1.00 0.00 N ATOM 0 H ASN A 67 8.995 7.699 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 67 10.425 6.268 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.166 8.337 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.934 9.249 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.404 8.114 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.945 7.426 1.798 1.00 0.00 H new ATOM 1046 N TRP A 68 7.552 7.282 2.712 1.00 0.00 N ATOM 1047 CA TRP A 68 6.602 7.216 3.793 1.00 0.00 C ATOM 1048 C TRP A 68 5.774 5.918 3.657 1.00 0.00 C ATOM 1049 O TRP A 68 5.568 5.189 4.635 1.00 0.00 O ATOM 1050 CB TRP A 68 5.692 8.456 3.792 1.00 0.00 C ATOM 1051 CG TRP A 68 4.845 8.577 5.027 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.152 9.276 6.157 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.562 7.981 5.262 1.00 0.00 C ATOM 1054 NE1 TRP A 68 4.149 9.137 7.079 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.163 8.353 6.555 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.719 7.169 4.506 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.959 7.941 7.107 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.530 6.764 5.056 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.160 7.149 6.347 1.00 0.00 C ATOM 0 H TRP A 68 7.138 7.450 1.795 1.00 0.00 H new ATOM 0 HA TRP A 68 7.133 7.202 4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.309 9.350 3.695 1.00 0.00 H new ATOM 0 HB3 TRP A 68 5.043 8.420 2.917 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.053 9.854 6.303 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.140 9.554 8.010 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.996 6.865 3.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.668 8.239 8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.867 6.135 4.480 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.217 6.809 6.749 1.00 0.00 H new ATOM 1070 N ILE A 69 5.341 5.618 2.418 1.00 0.00 N ATOM 1071 CA ILE A 69 4.522 4.416 2.112 1.00 0.00 C ATOM 1072 C ILE A 69 5.239 3.129 2.539 1.00 0.00 C ATOM 1073 O ILE A 69 4.591 2.154 2.933 1.00 0.00 O ATOM 1074 CB ILE A 69 4.162 4.321 0.593 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.394 5.557 0.136 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.325 3.068 0.307 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.168 5.609 -1.358 1.00 0.00 C ATOM 0 H ILE A 69 5.544 6.194 1.601 1.00 0.00 H new ATOM 0 HA ILE A 69 3.599 4.523 2.682 1.00 0.00 H new ATOM 0 HB ILE A 69 5.098 4.259 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.429 5.583 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.940 6.449 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.087 3.024 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.891 2.180 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.401 3.108 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.616 6.514 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.129 5.615 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.595 4.736 -1.670 1.00 0.00 H new ATOM 1089 N ARG A 70 6.577 3.166 2.507 1.00 0.00 N ATOM 1090 CA ARG A 70 7.432 2.030 2.884 1.00 0.00 C ATOM 1091 C ARG A 70 7.104 1.526 4.294 1.00 0.00 C ATOM 1092 O ARG A 70 7.296 0.376 4.592 1.00 0.00 O ATOM 1093 CB ARG A 70 8.924 2.419 2.810 1.00 0.00 C ATOM 1094 CG ARG A 70 9.359 3.441 3.855 1.00 0.00 C ATOM 1095 CD ARG A 70 10.830 3.797 3.743 1.00 0.00 C ATOM 1096 NE ARG A 70 11.272 4.580 4.905 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.492 5.118 5.058 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.280 5.320 4.014 1.00 0.00 N ATOM 1099 NH2 ARG A 70 12.877 5.550 6.244 1.00 0.00 N ATOM 0 H ARG A 70 7.102 3.991 2.217 1.00 0.00 H new ATOM 0 HA ARG A 70 7.234 1.227 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.528 1.519 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.134 2.819 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.760 4.345 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.159 3.045 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.424 2.886 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.002 4.367 2.830 1.00 0.00 H new ATOM 0 HE ARG A 70 10.597 4.726 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.962 5.066 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.205 5.730 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.248 5.475 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.804 5.959 6.362 1.00 0.00 H new ATOM 1113 N ASN A 71 6.615 2.414 5.135 1.00 0.00 N ATOM 1114 CA ASN A 71 6.232 2.071 6.496 1.00 0.00 C ATOM 1115 C ASN A 71 4.748 1.710 6.527 1.00 0.00 C ATOM 1116 O ASN A 71 4.338 0.717 7.130 1.00 0.00 O ATOM 1117 CB ASN A 71 6.498 3.279 7.411 1.00 0.00 C ATOM 1118 CG ASN A 71 6.073 3.080 8.860 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.121 1.987 9.408 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.677 4.151 9.491 1.00 0.00 N ATOM 0 H ASN A 71 6.470 3.395 4.898 1.00 0.00 H new ATOM 0 HA ASN A 71 6.814 1.218 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.563 3.510 7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.975 4.146 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.396 4.092 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.648 5.048 9.006 1.00 0.00 H new ATOM 1127 N ALA A 72 3.965 2.496 5.804 1.00 0.00 N ATOM 1128 CA ALA A 72 2.512 2.366 5.769 1.00 0.00 C ATOM 1129 C ALA A 72 2.044 1.009 5.274 1.00 0.00 C ATOM 1130 O ALA A 72 1.292 0.323 5.969 1.00 0.00 O ATOM 1131 CB ALA A 72 1.914 3.449 4.910 1.00 0.00 C ATOM 0 H ALA A 72 4.322 3.251 5.218 1.00 0.00 H new ATOM 0 HA ALA A 72 2.169 2.467 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.829 3.342 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.175 4.425 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.304 3.366 3.896 1.00 0.00 H new ATOM 1137 N THR A 73 2.509 0.607 4.093 1.00 0.00 N ATOM 1138 CA THR A 73 2.057 -0.638 3.488 1.00 0.00 C ATOM 1139 C THR A 73 2.471 -1.835 4.349 1.00 0.00 C ATOM 1140 O THR A 73 1.747 -2.832 4.435 1.00 0.00 O ATOM 1141 CB THR A 73 2.561 -0.799 2.010 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.980 -1.961 1.407 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.085 -0.911 1.934 1.00 0.00 C ATOM 0 H THR A 73 3.194 1.123 3.541 1.00 0.00 H new ATOM 0 HA THR A 73 0.968 -0.603 3.444 1.00 0.00 H new ATOM 0 HB THR A 73 2.252 0.097 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.302 -2.047 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.390 -1.021 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.537 -0.012 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.415 -1.780 2.503 1.00 0.00 H new ATOM 1151 N VAL A 74 3.596 -1.692 5.019 1.00 0.00 N ATOM 1152 CA VAL A 74 4.113 -2.702 5.894 1.00 0.00 C ATOM 1153 C VAL A 74 3.214 -2.855 7.112 1.00 0.00 C ATOM 1154 O VAL A 74 2.785 -3.951 7.422 1.00 0.00 O ATOM 1155 CB VAL A 74 5.570 -2.367 6.300 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.046 -3.234 7.440 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.483 -2.558 5.101 1.00 0.00 C ATOM 0 H VAL A 74 4.178 -0.856 4.964 1.00 0.00 H new ATOM 0 HA VAL A 74 4.126 -3.657 5.368 1.00 0.00 H new ATOM 0 HB VAL A 74 5.597 -1.330 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.072 -2.968 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.404 -3.079 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.006 -4.282 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.509 -2.323 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.428 -3.593 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.168 -1.896 4.295 1.00 0.00 H new ATOM 1167 N ASN A 75 2.878 -1.739 7.740 1.00 0.00 N ATOM 1168 CA ASN A 75 2.021 -1.729 8.944 1.00 0.00 C ATOM 1169 C ASN A 75 0.680 -2.403 8.661 1.00 0.00 C ATOM 1170 O ASN A 75 0.155 -3.136 9.507 1.00 0.00 O ATOM 1171 CB ASN A 75 1.763 -0.288 9.405 1.00 0.00 C ATOM 1172 CG ASN A 75 1.016 -0.197 10.735 1.00 0.00 C ATOM 1173 OD1 ASN A 75 0.153 0.657 10.914 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.400 -0.995 11.694 1.00 0.00 N ATOM 0 H ASN A 75 3.183 -0.813 7.442 1.00 0.00 H new ATOM 0 HA ASN A 75 2.543 -2.279 9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.717 0.232 9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.189 0.233 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.980 -0.918 12.620 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.120 -1.696 11.517 1.00 0.00 H new ATOM 1181 N ILE A 76 0.137 -2.169 7.470 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.141 -2.771 7.083 1.00 0.00 C ATOM 1183 C ILE A 76 -0.979 -4.296 6.927 1.00 0.00 C ATOM 1184 O ILE A 76 -1.773 -5.078 7.461 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.705 -2.185 5.759 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.727 -0.638 5.773 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.111 -2.720 5.522 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.590 -0.010 6.852 1.00 0.00 C ATOM 0 H ILE A 76 0.556 -1.571 6.758 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.850 -2.539 7.878 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.045 -2.497 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.705 -0.278 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.076 -0.287 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.505 -2.308 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.080 -3.807 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.756 -2.428 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.536 1.076 6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.624 -0.332 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.231 -0.322 7.833 1.00 0.00 H new ATOM 1200 N LEU A 77 0.067 -4.706 6.217 1.00 0.00 N ATOM 1201 CA LEU A 77 0.385 -6.125 6.029 1.00 0.00 C ATOM 1202 C LEU A 77 0.661 -6.812 7.366 1.00 0.00 C ATOM 1203 O LEU A 77 0.196 -7.935 7.612 1.00 0.00 O ATOM 1204 CB LEU A 77 1.567 -6.280 5.069 1.00 0.00 C ATOM 1205 CG LEU A 77 1.241 -6.278 3.576 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.332 -5.580 2.787 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.148 -7.702 3.089 1.00 0.00 C ATOM 0 H LEU A 77 0.718 -4.071 5.756 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.482 -6.616 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.273 -5.473 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.077 -7.214 5.305 1.00 0.00 H new ATOM 0 HG LEU A 77 0.297 -5.752 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.078 -5.591 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.424 -4.549 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.279 -6.098 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.916 -7.708 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.100 -8.206 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.361 -8.223 3.635 1.00 0.00 H new ATOM 1219 N GLU A 78 1.374 -6.119 8.234 1.00 0.00 N ATOM 1220 CA GLU A 78 1.662 -6.586 9.578 1.00 0.00 C ATOM 1221 C GLU A 78 0.386 -6.689 10.415 1.00 0.00 C ATOM 1222 O GLU A 78 0.273 -7.547 11.288 1.00 0.00 O ATOM 1223 CB GLU A 78 2.710 -5.684 10.263 1.00 0.00 C ATOM 1224 CG GLU A 78 4.103 -5.819 9.668 1.00 0.00 C ATOM 1225 CD GLU A 78 5.179 -5.122 10.462 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.219 -3.891 10.500 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.026 -5.815 11.076 1.00 0.00 O ATOM 0 H GLU A 78 1.774 -5.205 8.023 1.00 0.00 H new ATOM 0 HA GLU A 78 2.084 -7.588 9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.390 -4.645 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.751 -5.928 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.352 -6.877 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.095 -5.417 8.655 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.597 -5.863 10.093 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.851 -5.843 10.822 1.00 0.00 C ATOM 1236 C GLU A 79 -2.717 -7.021 10.391 1.00 0.00 C ATOM 1237 O GLU A 79 -3.568 -7.501 11.141 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.593 -4.524 10.583 1.00 0.00 C ATOM 1239 CG GLU A 79 -3.580 -4.191 11.669 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.891 -4.071 12.992 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.229 -3.043 13.229 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -2.947 -5.017 13.799 1.00 0.00 O ATOM 0 H GLU A 79 -0.547 -5.193 9.325 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.638 -5.927 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.866 -3.716 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.117 -4.578 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.088 -3.256 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.346 -4.965 11.721 1.00 0.00 H new ATOM 1249 N MET A 80 -2.492 -7.490 9.183 1.00 0.00 N ATOM 1250 CA MET A 80 -3.211 -8.648 8.673 1.00 0.00 C ATOM 1251 C MET A 80 -2.457 -9.919 8.982 1.00 0.00 C ATOM 1252 O MET A 80 -2.941 -11.008 8.687 1.00 0.00 O ATOM 1253 CB MET A 80 -3.441 -8.562 7.162 1.00 0.00 C ATOM 1254 CG MET A 80 -4.378 -7.461 6.715 1.00 0.00 C ATOM 1255 SD MET A 80 -4.673 -7.456 4.933 1.00 0.00 S ATOM 1256 CE MET A 80 -5.416 -9.079 4.695 1.00 0.00 C ATOM 0 H MET A 80 -1.817 -7.090 8.531 1.00 0.00 H new ATOM 0 HA MET A 80 -4.181 -8.660 9.170 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.478 -8.419 6.672 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.837 -9.517 6.816 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.330 -7.571 7.234 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.963 -6.497 7.011 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.718 -9.192 3.654 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.691 -9.852 4.949 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.290 -9.177 5.339 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.258 -9.768 9.566 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.365 -10.899 9.893 1.00 0.00 C ATOM 1268 C ASN A 81 0.054 -11.595 8.581 1.00 0.00 C ATOM 1269 O ASN A 81 0.271 -12.811 8.507 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.059 -11.876 10.887 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.144 -12.976 11.419 1.00 0.00 C ATOM 1272 OD1 ASN A 81 1.074 -12.794 11.541 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.720 -14.104 11.757 1.00 0.00 N ATOM 0 H ASN A 81 -0.877 -8.859 9.827 1.00 0.00 H new ATOM 0 HA ASN A 81 0.534 -10.538 10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.450 -11.304 11.729 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.913 -12.337 10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.161 -14.869 12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.727 -14.217 11.642 1.00 0.00 H new ATOM 1280 N LEU A 82 0.216 -10.784 7.554 1.00 0.00 N ATOM 1281 CA LEU A 82 0.602 -11.245 6.229 1.00 0.00 C ATOM 1282 C LEU A 82 2.093 -11.325 6.100 1.00 0.00 C ATOM 1283 O LEU A 82 2.673 -10.772 5.173 1.00 0.00 O ATOM 1284 CB LEU A 82 0.023 -10.338 5.155 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.450 -10.510 4.868 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.898 -9.533 3.796 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.690 -11.915 4.413 1.00 0.00 C ATOM 0 H LEU A 82 0.082 -9.775 7.614 1.00 0.00 H new ATOM 0 HA LEU A 82 0.196 -12.247 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.197 -9.303 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.575 -10.504 4.230 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.023 -10.310 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.962 -9.670 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.720 -8.513 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.335 -9.714 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.750 -12.053 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.112 -12.108 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.382 -12.608 5.196 1.00 0.00 H new ATOM 1299 N THR A 83 2.666 -12.109 6.966 1.00 0.00 N ATOM 1300 CA THR A 83 4.106 -12.243 7.138 1.00 0.00 C ATOM 1301 C THR A 83 4.856 -12.453 5.843 1.00 0.00 C ATOM 1302 O THR A 83 5.606 -11.595 5.438 1.00 0.00 O ATOM 1303 CB THR A 83 4.409 -13.389 8.088 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.480 -14.449 7.821 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.314 -12.944 9.532 1.00 0.00 C ATOM 0 H THR A 83 2.133 -12.701 7.603 1.00 0.00 H new ATOM 0 HA THR A 83 4.452 -11.296 7.551 1.00 0.00 H new ATOM 0 HB THR A 83 5.430 -13.736 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.660 -15.201 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.536 -13.786 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.031 -12.143 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.306 -12.582 9.736 1.00 0.00 H new ATOM 1313 N GLU A 84 4.590 -13.563 5.190 1.00 0.00 N ATOM 1314 CA GLU A 84 5.277 -13.983 3.961 1.00 0.00 C ATOM 1315 C GLU A 84 5.537 -12.833 2.952 1.00 0.00 C ATOM 1316 O GLU A 84 6.689 -12.519 2.642 1.00 0.00 O ATOM 1317 CB GLU A 84 4.500 -15.124 3.309 1.00 0.00 C ATOM 1318 CG GLU A 84 2.998 -14.865 3.157 1.00 0.00 C ATOM 1319 CD GLU A 84 2.298 -16.008 2.500 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.264 -16.059 1.260 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.783 -16.887 3.206 1.00 0.00 O ATOM 0 H GLU A 84 3.875 -14.223 5.496 1.00 0.00 H new ATOM 0 HA GLU A 84 6.269 -14.326 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.924 -15.319 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.642 -16.028 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.559 -14.687 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.844 -13.959 2.570 1.00 0.00 H new ATOM 1328 N LEU A 85 4.490 -12.189 2.495 1.00 0.00 N ATOM 1329 CA LEU A 85 4.641 -11.117 1.529 1.00 0.00 C ATOM 1330 C LEU A 85 5.005 -9.791 2.196 1.00 0.00 C ATOM 1331 O LEU A 85 5.610 -8.933 1.584 1.00 0.00 O ATOM 1332 CB LEU A 85 3.437 -10.971 0.558 1.00 0.00 C ATOM 1333 CG LEU A 85 2.066 -10.547 1.120 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.118 -10.248 -0.020 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.457 -11.621 2.002 1.00 0.00 C ATOM 0 H LEU A 85 3.528 -12.384 2.772 1.00 0.00 H new ATOM 0 HA LEU A 85 5.483 -11.410 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.717 -10.246 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.303 -11.928 0.054 1.00 0.00 H new ATOM 0 HG LEU A 85 2.223 -9.657 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.150 -9.949 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.524 -9.440 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.996 -11.140 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.492 -11.280 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.319 -12.533 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.122 -11.822 2.842 1.00 0.00 H new ATOM 1347 N CYS A 86 4.681 -9.639 3.454 1.00 0.00 N ATOM 1348 CA CYS A 86 5.051 -8.436 4.188 1.00 0.00 C ATOM 1349 C CYS A 86 6.562 -8.384 4.331 1.00 0.00 C ATOM 1350 O CYS A 86 7.170 -7.351 4.162 1.00 0.00 O ATOM 1351 CB CYS A 86 4.424 -8.449 5.553 1.00 0.00 C ATOM 1352 SG CYS A 86 4.742 -6.993 6.556 1.00 0.00 S ATOM 0 H CYS A 86 4.162 -10.327 3.999 1.00 0.00 H new ATOM 0 HA CYS A 86 4.697 -7.561 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.346 -8.563 5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.782 -9.326 6.091 1.00 0.00 H new ATOM 0 HG CYS A 86 4.285 -5.939 5.948 1.00 0.00 H new ATOM 1358 N LYS A 87 7.159 -9.536 4.576 1.00 0.00 N ATOM 1359 CA LYS A 87 8.606 -9.674 4.704 1.00 0.00 C ATOM 1360 C LYS A 87 9.280 -9.423 3.357 1.00 0.00 C ATOM 1361 O LYS A 87 10.488 -9.240 3.279 1.00 0.00 O ATOM 1362 CB LYS A 87 8.941 -11.066 5.218 1.00 0.00 C ATOM 1363 CG LYS A 87 8.339 -11.373 6.584 1.00 0.00 C ATOM 1364 CD LYS A 87 8.381 -12.860 6.888 1.00 0.00 C ATOM 1365 CE LYS A 87 9.785 -13.355 7.062 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.358 -12.937 8.364 1.00 0.00 N ATOM 0 H LYS A 87 6.652 -10.413 4.694 1.00 0.00 H new ATOM 0 HA LYS A 87 8.977 -8.936 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.586 -11.805 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.024 -11.172 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.884 -10.827 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.307 -11.023 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.810 -13.062 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.900 -13.410 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.798 -14.443 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.408 -12.975 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.297 -13.368 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.447 -11.901 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.733 -13.248 9.134 1.00 0.00 H new ATOM 1380 N MET A 88 8.486 -9.435 2.299 1.00 0.00 N ATOM 1381 CA MET A 88 8.959 -9.086 0.979 1.00 0.00 C ATOM 1382 C MET A 88 8.966 -7.587 0.904 1.00 0.00 C ATOM 1383 O MET A 88 9.933 -6.985 0.523 1.00 0.00 O ATOM 1384 CB MET A 88 8.043 -9.642 -0.116 1.00 0.00 C ATOM 1385 CG MET A 88 7.939 -11.152 -0.160 1.00 0.00 C ATOM 1386 SD MET A 88 6.730 -11.722 -1.378 1.00 0.00 S ATOM 1387 CE MET A 88 6.829 -13.492 -1.134 1.00 0.00 C ATOM 0 H MET A 88 7.498 -9.687 2.336 1.00 0.00 H new ATOM 0 HA MET A 88 9.950 -9.511 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.044 -9.228 0.023 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.403 -9.290 -1.083 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.916 -11.574 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.661 -11.524 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.140 -13.992 -1.814 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.846 -13.831 -1.334 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.562 -13.733 -0.105 1.00 0.00 H new ATOM 1397 N ALA A 89 7.878 -6.988 1.358 1.00 0.00 N ATOM 1398 CA ALA A 89 7.723 -5.541 1.375 1.00 0.00 C ATOM 1399 C ALA A 89 8.766 -4.892 2.267 1.00 0.00 C ATOM 1400 O ALA A 89 9.341 -3.869 1.919 1.00 0.00 O ATOM 1401 CB ALA A 89 6.343 -5.163 1.858 1.00 0.00 C ATOM 0 H ALA A 89 7.073 -7.493 1.727 1.00 0.00 H new ATOM 0 HA ALA A 89 7.860 -5.181 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.244 -4.077 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.594 -5.591 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.193 -5.547 2.867 1.00 0.00 H new ATOM 1407 N LYS A 90 9.030 -5.507 3.391 1.00 0.00 N ATOM 1408 CA LYS A 90 10.015 -5.006 4.335 1.00 0.00 C ATOM 1409 C LYS A 90 11.428 -5.170 3.793 1.00 0.00 C ATOM 1410 O LYS A 90 12.363 -4.594 4.305 1.00 0.00 O ATOM 1411 CB LYS A 90 9.844 -5.680 5.708 1.00 0.00 C ATOM 1412 CG LYS A 90 8.441 -5.482 6.262 1.00 0.00 C ATOM 1413 CD LYS A 90 8.205 -6.127 7.620 1.00 0.00 C ATOM 1414 CE LYS A 90 8.895 -5.392 8.758 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.556 -5.999 10.068 1.00 0.00 N ATOM 0 H LYS A 90 8.572 -6.370 3.684 1.00 0.00 H new ATOM 0 HA LYS A 90 9.848 -3.938 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.053 -6.746 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.573 -5.270 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.242 -4.413 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.722 -5.888 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.133 -6.164 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.560 -7.157 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.975 -5.418 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.597 -4.343 8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.026 -5.468 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.526 -5.967 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.878 -6.988 10.086 1.00 0.00 H new ATOM 1429 N ALA A 91 11.561 -5.934 2.728 1.00 0.00 N ATOM 1430 CA ALA A 91 12.842 -6.146 2.103 1.00 0.00 C ATOM 1431 C ALA A 91 12.927 -5.442 0.733 1.00 0.00 C ATOM 1432 O ALA A 91 14.007 -5.328 0.147 1.00 0.00 O ATOM 1433 CB ALA A 91 13.121 -7.645 1.973 1.00 0.00 C ATOM 0 H ALA A 91 10.787 -6.421 2.277 1.00 0.00 H new ATOM 0 HA ALA A 91 13.609 -5.703 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.091 -7.795 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.126 -8.101 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.345 -8.108 1.364 1.00 0.00 H new ATOM 1439 N GLU A 92 11.802 -4.955 0.245 1.00 0.00 N ATOM 1440 CA GLU A 92 11.724 -4.331 -1.081 1.00 0.00 C ATOM 1441 C GLU A 92 11.242 -2.893 -1.006 1.00 0.00 C ATOM 1442 O GLU A 92 11.939 -1.975 -1.429 1.00 0.00 O ATOM 1443 CB GLU A 92 10.800 -5.139 -1.993 1.00 0.00 C ATOM 1444 CG GLU A 92 11.334 -6.516 -2.339 1.00 0.00 C ATOM 1445 CD GLU A 92 10.553 -7.229 -3.411 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.422 -7.661 -3.143 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.094 -7.439 -4.525 1.00 0.00 O ATOM 0 H GLU A 92 10.914 -4.976 0.747 1.00 0.00 H new ATOM 0 HA GLU A 92 12.732 -4.323 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.830 -5.247 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.636 -4.581 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.370 -6.421 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.337 -7.129 -1.438 1.00 0.00 H new ATOM 1454 N MET A 93 10.050 -2.712 -0.465 1.00 0.00 N ATOM 1455 CA MET A 93 9.432 -1.397 -0.324 1.00 0.00 C ATOM 1456 C MET A 93 10.211 -0.584 0.665 1.00 0.00 C ATOM 1457 O MET A 93 10.428 0.612 0.479 1.00 0.00 O ATOM 1458 CB MET A 93 7.975 -1.543 0.111 1.00 0.00 C ATOM 1459 CG MET A 93 6.949 -1.044 -0.898 1.00 0.00 C ATOM 1460 SD MET A 93 6.400 0.667 -0.635 1.00 0.00 S ATOM 1461 CE MET A 93 7.844 1.615 -1.078 1.00 0.00 C ATOM 0 H MET A 93 9.476 -3.476 -0.107 1.00 0.00 H new ATOM 0 HA MET A 93 9.444 -0.883 -1.285 1.00 0.00 H new ATOM 0 HB2 MET A 93 7.777 -2.595 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 93 7.835 -1.002 1.047 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.373 -1.126 -1.899 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.079 -1.700 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.344 1.961 -0.173 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.527 0.990 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.545 2.474 -1.678 1.00 0.00 H new