USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 545 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 39 LYS NZ :NH3+ -126:sc= 0.0447 (180deg=-0.124) USER MOD Set 1.2: A 41 SER OG : rot 160:sc= 0.0343 USER MOD Set 1.3: A 44 GLN : amide:sc= 0.0027 K(o=0.082,f=-2.7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 8:sc= 0.75 USER MOD Single : A 10 THR OG1 : rot -73:sc= 0.824 USER MOD Single : A 16 MET CE :methyl -170:sc=-0.00868 (180deg=-0.168) USER MOD Single : A 17 THR OG1 : rot 40:sc= 0.104 USER MOD Single : A 18 CYS SG : rot 19:sc= 0.867 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -12:sc= 1.02 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0162 (180deg=-0.186) USER MOD Single : A 24 SER OG : rot 73:sc= 0.371 USER MOD Single : A 30 SER OG : rot 93:sc= 1.26 USER MOD Single : A 31 ASN : amide:sc= -1.36 X(o=-1.4,f=-0.96) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 160:sc= -0.248 (180deg=-0.684) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 54 SER OG : rot 180:sc= -0.754 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.81! USER MOD Single : A 59 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.93) USER MOD Single : A 60 GLN : amide:sc= -0.194 K(o=-0.19,f=-4.1!) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -6.22! C(o=-6.2!,f=-3.7!) USER MOD Single : A 68 MET CE :methyl -127:sc= -0.0684 (180deg=-0.456) USER MOD Single : A 73 SER OG : rot 180:sc= 0.007 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 5.353 -9.372 -1.544 1.00 0.00 N ATOM 72 CA VAL A 6 4.472 -8.226 -1.534 1.00 0.00 C ATOM 73 C VAL A 6 5.251 -6.945 -1.384 1.00 0.00 C ATOM 74 O VAL A 6 6.326 -6.923 -0.784 1.00 0.00 O ATOM 75 CB VAL A 6 3.419 -8.326 -0.403 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.535 -9.541 -0.611 1.00 0.00 C ATOM 77 CG2 VAL A 6 4.088 -8.381 0.968 1.00 0.00 C ATOM 0 HA VAL A 6 3.952 -8.218 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 6 2.798 -7.431 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.800 -9.598 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.021 -9.457 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.148 -10.442 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.325 -8.451 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.739 -9.254 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.679 -7.478 1.121 1.00 0.00 H new ATOM 87 N ALA A 7 4.719 -5.887 -1.937 1.00 0.00 N ATOM 88 CA ALA A 7 5.374 -4.614 -1.890 1.00 0.00 C ATOM 89 C ALA A 7 4.701 -3.705 -0.887 1.00 0.00 C ATOM 90 O ALA A 7 3.471 -3.579 -0.871 1.00 0.00 O ATOM 91 CB ALA A 7 5.379 -3.972 -3.270 1.00 0.00 C ATOM 0 H ALA A 7 3.825 -5.886 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 7 6.406 -4.768 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.880 -3.005 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.908 -4.619 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.353 -3.832 -3.610 1.00 0.00 H new ATOM 97 N THR A 8 5.497 -3.099 -0.041 1.00 0.00 N ATOM 98 CA THR A 8 5.003 -2.142 0.909 1.00 0.00 C ATOM 99 C THR A 8 5.638 -0.809 0.618 1.00 0.00 C ATOM 100 O THR A 8 6.805 -0.746 0.230 1.00 0.00 O ATOM 101 CB THR A 8 5.318 -2.554 2.363 1.00 0.00 C ATOM 102 OG1 THR A 8 6.731 -2.739 2.521 1.00 0.00 O ATOM 103 CG2 THR A 8 4.594 -3.838 2.733 1.00 0.00 C ATOM 0 H THR A 8 6.504 -3.257 0.006 1.00 0.00 H new ATOM 0 HA THR A 8 3.919 -2.089 0.812 1.00 0.00 H new ATOM 0 HB THR A 8 4.975 -1.759 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.926 -2.999 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.833 -4.107 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.518 -3.690 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.911 -4.640 2.066 1.00 0.00 H new ATOM 111 N SER A 9 4.894 0.245 0.776 1.00 0.00 N ATOM 112 CA SER A 9 5.411 1.545 0.474 1.00 0.00 C ATOM 113 C SER A 9 4.606 2.604 1.197 1.00 0.00 C ATOM 114 O SER A 9 3.430 2.392 1.517 1.00 0.00 O ATOM 115 CB SER A 9 5.372 1.766 -1.047 1.00 0.00 C ATOM 116 OG SER A 9 6.042 2.956 -1.433 1.00 0.00 O ATOM 0 H SER A 9 3.931 0.230 1.111 1.00 0.00 H new ATOM 0 HA SER A 9 6.445 1.618 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.831 0.914 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.335 1.811 -1.379 1.00 0.00 H new ATOM 0 HG SER A 9 6.510 3.334 -0.659 1.00 0.00 H new ATOM 122 N THR A 10 5.236 3.719 1.483 1.00 0.00 N ATOM 123 CA THR A 10 4.562 4.817 2.109 1.00 0.00 C ATOM 124 C THR A 10 4.245 5.890 1.072 1.00 0.00 C ATOM 125 O THR A 10 5.033 6.141 0.164 1.00 0.00 O ATOM 126 CB THR A 10 5.399 5.404 3.273 1.00 0.00 C ATOM 127 OG1 THR A 10 6.756 5.633 2.849 1.00 0.00 O ATOM 128 CG2 THR A 10 5.393 4.461 4.468 1.00 0.00 C ATOM 0 H THR A 10 6.223 3.884 1.287 1.00 0.00 H new ATOM 0 HA THR A 10 3.628 4.450 2.534 1.00 0.00 H new ATOM 0 HB THR A 10 4.949 6.352 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.219 4.774 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.986 4.892 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.369 4.314 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.820 3.501 4.176 1.00 0.00 H new ATOM 136 N VAL A 11 3.090 6.493 1.189 1.00 0.00 N ATOM 137 CA VAL A 11 2.661 7.497 0.237 1.00 0.00 C ATOM 138 C VAL A 11 2.079 8.702 0.959 1.00 0.00 C ATOM 139 O VAL A 11 1.317 8.554 1.909 1.00 0.00 O ATOM 140 CB VAL A 11 1.616 6.904 -0.763 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.405 6.339 -0.029 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.182 7.941 -1.790 1.00 0.00 C ATOM 0 H VAL A 11 2.423 6.308 1.938 1.00 0.00 H new ATOM 0 HA VAL A 11 3.533 7.820 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 11 2.103 6.086 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.303 5.934 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.726 5.546 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.075 7.132 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.455 7.497 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.729 8.791 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.050 8.278 -2.356 1.00 0.00 H new ATOM 152 N ARG A 12 2.463 9.888 0.531 1.00 0.00 N ATOM 153 CA ARG A 12 1.955 11.102 1.138 1.00 0.00 C ATOM 154 C ARG A 12 0.774 11.608 0.339 1.00 0.00 C ATOM 155 O ARG A 12 0.689 11.369 -0.870 1.00 0.00 O ATOM 156 CB ARG A 12 3.030 12.196 1.208 1.00 0.00 C ATOM 157 CG ARG A 12 3.361 12.825 -0.136 1.00 0.00 C ATOM 158 CD ARG A 12 4.378 13.940 0.010 1.00 0.00 C ATOM 159 NE ARG A 12 4.599 14.652 -1.251 1.00 0.00 N ATOM 160 CZ ARG A 12 5.376 15.728 -1.378 1.00 0.00 C ATOM 161 NH1 ARG A 12 6.025 16.206 -0.326 1.00 0.00 N ATOM 162 NH2 ARG A 12 5.500 16.328 -2.557 1.00 0.00 N ATOM 0 H ARG A 12 3.123 10.037 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 12 1.650 10.865 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.695 12.977 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.939 11.771 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.750 12.062 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.451 13.218 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.037 14.644 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.322 13.525 0.362 1.00 0.00 H new ATOM 0 HE ARG A 12 4.128 14.302 -2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.930 15.751 0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.619 17.029 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.000 15.966 -3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.095 17.151 -2.650 1.00 0.00 H new ATOM 176 N ILE A 13 -0.123 12.300 0.995 1.00 0.00 N ATOM 177 CA ILE A 13 -1.281 12.853 0.328 1.00 0.00 C ATOM 178 C ILE A 13 -1.232 14.372 0.368 1.00 0.00 C ATOM 179 O ILE A 13 -0.849 14.963 1.380 1.00 0.00 O ATOM 180 CB ILE A 13 -2.600 12.359 0.978 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.646 12.746 2.465 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.747 10.851 0.807 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.964 12.446 3.139 1.00 0.00 C ATOM 0 H ILE A 13 -0.076 12.496 1.995 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.261 12.512 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.437 12.843 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.852 12.217 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.436 13.811 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.678 10.521 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.762 10.605 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.907 10.347 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.915 12.748 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.762 12.996 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.168 11.377 3.079 1.00 0.00 H new ATOM 195 N LEU A 14 -1.590 15.000 -0.731 1.00 0.00 N ATOM 196 CA LEU A 14 -1.596 16.441 -0.803 1.00 0.00 C ATOM 197 C LEU A 14 -2.952 16.952 -1.258 1.00 0.00 C ATOM 198 O LEU A 14 -3.407 16.655 -2.366 1.00 0.00 O ATOM 199 CB LEU A 14 -0.496 16.940 -1.747 1.00 0.00 C ATOM 200 CG LEU A 14 -0.412 18.460 -1.927 1.00 0.00 C ATOM 201 CD1 LEU A 14 -0.113 19.147 -0.602 1.00 0.00 C ATOM 202 CD2 LEU A 14 0.640 18.815 -2.961 1.00 0.00 C ATOM 0 H LEU A 14 -1.881 14.531 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.399 16.830 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.465 16.583 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.649 16.485 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.380 18.815 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.058 20.225 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.906 18.922 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.839 18.787 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.686 19.898 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.611 18.443 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.380 18.359 -3.916 1.00 0.00 H new ATOM 214 N GLY A 15 -3.588 17.712 -0.397 1.00 0.00 N ATOM 215 CA GLY A 15 -4.865 18.292 -0.710 1.00 0.00 C ATOM 216 C GLY A 15 -5.440 18.986 0.487 1.00 0.00 C ATOM 217 O GLY A 15 -5.054 18.683 1.624 1.00 0.00 O ATOM 0 H GLY A 15 -3.235 17.942 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.756 19.001 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.550 17.515 -1.049 1.00 0.00 H new ATOM 221 N MET A 16 -6.345 19.920 0.260 1.00 0.00 N ATOM 222 CA MET A 16 -6.963 20.644 1.361 1.00 0.00 C ATOM 223 C MET A 16 -7.871 19.714 2.153 1.00 0.00 C ATOM 224 O MET A 16 -7.913 19.760 3.382 1.00 0.00 O ATOM 225 CB MET A 16 -7.736 21.858 0.854 1.00 0.00 C ATOM 226 CG MET A 16 -6.862 22.890 0.150 1.00 0.00 C ATOM 227 SD MET A 16 -5.466 23.439 1.158 1.00 0.00 S ATOM 228 CE MET A 16 -6.316 24.260 2.505 1.00 0.00 C ATOM 0 H MET A 16 -6.668 20.195 -0.668 1.00 0.00 H new ATOM 0 HA MET A 16 -6.175 21.007 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.512 21.522 0.166 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.240 22.334 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.486 22.465 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.472 23.753 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.593 24.803 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.048 24.959 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.824 23.518 3.121 1.00 0.00 H new ATOM 238 N THR A 17 -8.578 18.859 1.441 1.00 0.00 N ATOM 239 CA THR A 17 -9.427 17.872 2.059 1.00 0.00 C ATOM 240 C THR A 17 -8.715 16.517 2.087 1.00 0.00 C ATOM 241 O THR A 17 -8.961 15.640 1.250 1.00 0.00 O ATOM 242 CB THR A 17 -10.773 17.762 1.320 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.547 17.793 -0.097 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.698 18.905 1.713 1.00 0.00 C ATOM 0 H THR A 17 -8.577 18.832 0.421 1.00 0.00 H new ATOM 0 HA THR A 17 -9.634 18.184 3.083 1.00 0.00 H new ATOM 0 HB THR A 17 -11.246 16.820 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.744 17.274 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.643 18.808 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.882 18.871 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.232 19.856 1.455 1.00 0.00 H new ATOM 252 N CYS A 18 -7.811 16.371 3.047 1.00 0.00 N ATOM 253 CA CYS A 18 -6.986 15.179 3.164 1.00 0.00 C ATOM 254 C CYS A 18 -7.823 13.927 3.418 1.00 0.00 C ATOM 255 O CYS A 18 -7.594 12.889 2.806 1.00 0.00 O ATOM 256 CB CYS A 18 -5.966 15.362 4.289 1.00 0.00 C ATOM 257 SG CYS A 18 -4.683 16.587 3.931 1.00 0.00 S ATOM 0 H CYS A 18 -7.630 17.074 3.764 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.468 15.041 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.492 15.657 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.490 14.403 4.493 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.081 17.363 2.967 1.00 0.00 H new ATOM 263 N GLN A 19 -8.803 14.032 4.293 1.00 0.00 N ATOM 264 CA GLN A 19 -9.635 12.885 4.617 1.00 0.00 C ATOM 265 C GLN A 19 -10.445 12.439 3.400 1.00 0.00 C ATOM 266 O GLN A 19 -10.612 11.243 3.155 1.00 0.00 O ATOM 267 CB GLN A 19 -10.555 13.185 5.802 1.00 0.00 C ATOM 268 CG GLN A 19 -11.345 11.976 6.277 1.00 0.00 C ATOM 269 CD GLN A 19 -12.189 12.266 7.498 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.661 13.383 7.691 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.386 11.265 8.328 1.00 0.00 N ATOM 0 H GLN A 19 -9.043 14.890 4.790 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.975 12.067 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.956 13.566 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.250 13.976 5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.990 11.630 5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.655 11.164 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.976 10.352 8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.948 11.402 9.168 1.00 0.00 H new ATOM 280 N SER A 20 -10.928 13.408 2.637 1.00 0.00 N ATOM 281 CA SER A 20 -11.741 13.134 1.465 1.00 0.00 C ATOM 282 C SER A 20 -10.966 12.310 0.423 1.00 0.00 C ATOM 283 O SER A 20 -11.486 11.323 -0.105 1.00 0.00 O ATOM 284 CB SER A 20 -12.237 14.448 0.851 1.00 0.00 C ATOM 285 OG SER A 20 -13.076 14.211 -0.266 1.00 0.00 O ATOM 0 H SER A 20 -10.768 14.400 2.812 1.00 0.00 H new ATOM 0 HA SER A 20 -12.600 12.542 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.781 15.020 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.384 15.054 0.545 1.00 0.00 H new ATOM 0 HG SER A 20 -13.378 15.067 -0.636 1.00 0.00 H new ATOM 291 N CYS A 21 -9.716 12.698 0.143 1.00 0.00 N ATOM 292 CA CYS A 21 -8.910 11.966 -0.832 1.00 0.00 C ATOM 293 C CYS A 21 -8.573 10.577 -0.310 1.00 0.00 C ATOM 294 O CYS A 21 -8.466 9.618 -1.082 1.00 0.00 O ATOM 295 CB CYS A 21 -7.634 12.734 -1.188 1.00 0.00 C ATOM 296 SG CYS A 21 -6.507 13.007 0.191 1.00 0.00 S ATOM 0 H CYS A 21 -9.251 13.499 0.570 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.499 11.861 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.104 12.189 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.913 13.700 -1.607 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.107 12.714 1.306 1.00 0.00 H new ATOM 302 N VAL A 22 -8.425 10.471 1.010 1.00 0.00 N ATOM 303 CA VAL A 22 -8.172 9.195 1.653 1.00 0.00 C ATOM 304 C VAL A 22 -9.349 8.269 1.426 1.00 0.00 C ATOM 305 O VAL A 22 -9.183 7.094 1.113 1.00 0.00 O ATOM 306 CB VAL A 22 -7.921 9.363 3.171 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.888 8.016 3.868 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.623 10.104 3.407 1.00 0.00 C ATOM 0 H VAL A 22 -8.477 11.262 1.652 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.273 8.766 1.211 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.743 9.944 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.710 8.162 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.842 7.509 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.088 7.408 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.458 10.216 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.798 9.542 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.677 11.089 2.943 1.00 0.00 H new ATOM 318 N LYS A 23 -10.537 8.815 1.578 1.00 0.00 N ATOM 319 CA LYS A 23 -11.759 8.065 1.354 1.00 0.00 C ATOM 320 C LYS A 23 -11.838 7.595 -0.095 1.00 0.00 C ATOM 321 O LYS A 23 -12.174 6.440 -0.372 1.00 0.00 O ATOM 322 CB LYS A 23 -12.979 8.925 1.694 1.00 0.00 C ATOM 323 CG LYS A 23 -14.309 8.218 1.490 1.00 0.00 C ATOM 324 CD LYS A 23 -15.474 9.113 1.871 1.00 0.00 C ATOM 325 CE LYS A 23 -16.805 8.409 1.667 1.00 0.00 C ATOM 326 NZ LYS A 23 -17.048 8.076 0.241 1.00 0.00 N ATOM 0 H LYS A 23 -10.685 9.785 1.858 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.751 7.191 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.906 9.247 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.959 9.825 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.406 7.915 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.335 7.308 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.377 9.415 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.447 10.023 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.826 7.495 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.611 9.045 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.043 7.803 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.838 8.906 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.433 7.286 -0.041 1.00 0.00 H new ATOM 340 N SER A 24 -11.500 8.495 -1.011 1.00 0.00 N ATOM 341 CA SER A 24 -11.565 8.210 -2.432 1.00 0.00 C ATOM 342 C SER A 24 -10.624 7.056 -2.828 1.00 0.00 C ATOM 343 O SER A 24 -11.017 6.153 -3.576 1.00 0.00 O ATOM 344 CB SER A 24 -11.220 9.471 -3.220 1.00 0.00 C ATOM 345 OG SER A 24 -12.156 10.506 -2.953 1.00 0.00 O ATOM 0 H SER A 24 -11.176 9.436 -0.788 1.00 0.00 H new ATOM 0 HA SER A 24 -12.581 7.895 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.216 9.806 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.213 9.248 -4.287 1.00 0.00 H new ATOM 0 HG SER A 24 -12.001 10.863 -2.054 1.00 0.00 H new ATOM 351 N ILE A 25 -9.392 7.080 -2.322 1.00 0.00 N ATOM 352 CA ILE A 25 -8.438 6.018 -2.610 1.00 0.00 C ATOM 353 C ILE A 25 -8.802 4.726 -1.870 1.00 0.00 C ATOM 354 O ILE A 25 -8.652 3.637 -2.413 1.00 0.00 O ATOM 355 CB ILE A 25 -6.964 6.439 -2.289 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.971 5.354 -2.729 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.780 6.757 -0.815 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.962 5.095 -4.217 1.00 0.00 C ATOM 0 H ILE A 25 -9.036 7.819 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.497 5.830 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.759 7.347 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.968 5.645 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.210 4.425 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.745 7.045 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.440 7.578 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.023 5.877 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.235 4.316 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.953 4.772 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.692 6.010 -4.744 1.00 0.00 H new ATOM 370 N GLU A 26 -9.335 4.866 -0.652 1.00 0.00 N ATOM 371 CA GLU A 26 -9.688 3.717 0.188 1.00 0.00 C ATOM 372 C GLU A 26 -10.711 2.828 -0.507 1.00 0.00 C ATOM 373 O GLU A 26 -10.551 1.605 -0.567 1.00 0.00 O ATOM 374 CB GLU A 26 -10.274 4.213 1.518 1.00 0.00 C ATOM 375 CG GLU A 26 -10.673 3.110 2.493 1.00 0.00 C ATOM 376 CD GLU A 26 -9.486 2.373 3.071 1.00 0.00 C ATOM 377 OE1 GLU A 26 -8.875 2.892 4.030 1.00 0.00 O ATOM 378 OE2 GLU A 26 -9.168 1.274 2.586 1.00 0.00 O ATOM 0 H GLU A 26 -9.532 5.770 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.784 3.135 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.542 4.859 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.150 4.826 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.255 3.545 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.322 2.398 1.982 1.00 0.00 H new ATOM 385 N ASP A 27 -11.744 3.447 -1.049 1.00 0.00 N ATOM 386 CA ASP A 27 -12.808 2.710 -1.717 1.00 0.00 C ATOM 387 C ASP A 27 -12.278 1.966 -2.931 1.00 0.00 C ATOM 388 O ASP A 27 -12.468 0.750 -3.070 1.00 0.00 O ATOM 389 CB ASP A 27 -13.908 3.680 -2.163 1.00 0.00 C ATOM 390 CG ASP A 27 -15.129 2.982 -2.749 1.00 0.00 C ATOM 391 OD1 ASP A 27 -15.048 2.446 -3.875 1.00 0.00 O ATOM 392 OD2 ASP A 27 -16.183 2.980 -2.083 1.00 0.00 O ATOM 0 H ASP A 27 -11.871 4.459 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.212 1.984 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.218 4.283 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.499 4.365 -2.906 1.00 0.00 H new ATOM 397 N ARG A 28 -11.571 2.691 -3.782 1.00 0.00 N ATOM 398 CA ARG A 28 -11.100 2.143 -5.034 1.00 0.00 C ATOM 399 C ARG A 28 -10.004 1.076 -4.838 1.00 0.00 C ATOM 400 O ARG A 28 -10.005 0.047 -5.522 1.00 0.00 O ATOM 401 CB ARG A 28 -10.637 3.256 -5.976 1.00 0.00 C ATOM 402 CG ARG A 28 -10.336 2.771 -7.381 1.00 0.00 C ATOM 403 CD ARG A 28 -11.582 2.194 -8.040 1.00 0.00 C ATOM 404 NE ARG A 28 -11.321 1.700 -9.389 1.00 0.00 N ATOM 405 CZ ARG A 28 -12.205 1.019 -10.126 1.00 0.00 C ATOM 406 NH1 ARG A 28 -13.442 0.831 -9.680 1.00 0.00 N ATOM 407 NH2 ARG A 28 -11.857 0.555 -11.323 1.00 0.00 N ATOM 0 H ARG A 28 -11.312 3.665 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.945 1.634 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.407 4.026 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.744 3.724 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.953 3.597 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.554 2.012 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.970 1.381 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.356 2.960 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.404 1.887 -9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.720 1.206 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.114 0.311 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.915 0.719 -11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.532 0.036 -11.885 1.00 0.00 H new ATOM 421 N ILE A 29 -9.074 1.312 -3.907 1.00 0.00 N ATOM 422 CA ILE A 29 -8.011 0.338 -3.660 1.00 0.00 C ATOM 423 C ILE A 29 -8.602 -0.951 -3.095 1.00 0.00 C ATOM 424 O ILE A 29 -8.130 -2.040 -3.388 1.00 0.00 O ATOM 425 CB ILE A 29 -6.889 0.885 -2.721 1.00 0.00 C ATOM 426 CG1 ILE A 29 -5.675 -0.053 -2.743 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.398 1.059 -1.295 1.00 0.00 C ATOM 428 CD1 ILE A 29 -4.458 0.498 -2.027 1.00 0.00 C ATOM 0 H ILE A 29 -9.036 2.149 -3.325 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.538 0.133 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.587 1.865 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.954 -1.002 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.410 -0.264 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.594 1.441 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.230 1.764 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.735 0.097 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.643 -0.223 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.151 1.432 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.703 0.682 -0.981 1.00 0.00 H new ATOM 440 N SER A 30 -9.667 -0.807 -2.303 1.00 0.00 N ATOM 441 CA SER A 30 -10.388 -1.948 -1.764 1.00 0.00 C ATOM 442 C SER A 30 -11.008 -2.748 -2.899 1.00 0.00 C ATOM 443 O SER A 30 -11.108 -3.976 -2.837 1.00 0.00 O ATOM 444 CB SER A 30 -11.466 -1.495 -0.783 1.00 0.00 C ATOM 445 OG SER A 30 -10.894 -0.876 0.360 1.00 0.00 O ATOM 0 H SER A 30 -10.046 0.098 -2.023 1.00 0.00 H new ATOM 0 HA SER A 30 -9.684 -2.581 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.141 -0.797 -1.278 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.064 -2.353 -0.474 1.00 0.00 H new ATOM 0 HG SER A 30 -10.840 0.092 0.215 1.00 0.00 H new ATOM 451 N ASN A 31 -11.438 -2.030 -3.931 1.00 0.00 N ATOM 452 CA ASN A 31 -12.043 -2.643 -5.103 1.00 0.00 C ATOM 453 C ASN A 31 -11.001 -3.460 -5.865 1.00 0.00 C ATOM 454 O ASN A 31 -11.339 -4.407 -6.574 1.00 0.00 O ATOM 455 CB ASN A 31 -12.637 -1.568 -6.024 1.00 0.00 C ATOM 456 CG ASN A 31 -13.840 -0.867 -5.416 1.00 0.00 C ATOM 457 OD1 ASN A 31 -14.553 -1.429 -4.583 1.00 0.00 O ATOM 458 ND2 ASN A 31 -14.069 0.367 -5.824 1.00 0.00 N ATOM 0 H ASN A 31 -11.377 -1.013 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.844 -3.304 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.870 -0.829 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.929 -2.027 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.860 0.890 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.455 0.798 -6.516 1.00 0.00 H new ATOM 465 N LEU A 32 -9.731 -3.083 -5.726 1.00 0.00 N ATOM 466 CA LEU A 32 -8.649 -3.838 -6.356 1.00 0.00 C ATOM 467 C LEU A 32 -8.392 -5.141 -5.611 1.00 0.00 C ATOM 468 O LEU A 32 -8.372 -5.174 -4.379 1.00 0.00 O ATOM 469 CB LEU A 32 -7.349 -3.031 -6.398 1.00 0.00 C ATOM 470 CG LEU A 32 -7.379 -1.725 -7.178 1.00 0.00 C ATOM 471 CD1 LEU A 32 -6.023 -1.041 -7.088 1.00 0.00 C ATOM 472 CD2 LEU A 32 -7.759 -1.973 -8.633 1.00 0.00 C ATOM 0 H LEU A 32 -9.428 -2.270 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.967 -4.053 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.054 -2.808 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.570 -3.663 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.135 -1.072 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.049 -0.106 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.789 -0.832 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.258 -1.694 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.774 -1.026 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.028 -2.639 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.747 -2.432 -8.678 1.00 0.00 H new ATOM 484 N LYS A 33 -8.211 -6.209 -6.356 1.00 0.00 N ATOM 485 CA LYS A 33 -7.896 -7.501 -5.773 1.00 0.00 C ATOM 486 C LYS A 33 -6.392 -7.642 -5.576 1.00 0.00 C ATOM 487 O LYS A 33 -5.610 -7.085 -6.339 1.00 0.00 O ATOM 488 CB LYS A 33 -8.406 -8.635 -6.657 1.00 0.00 C ATOM 489 CG LYS A 33 -9.916 -8.667 -6.823 1.00 0.00 C ATOM 490 CD LYS A 33 -10.340 -9.790 -7.757 1.00 0.00 C ATOM 491 CE LYS A 33 -10.027 -11.157 -7.160 1.00 0.00 C ATOM 492 NZ LYS A 33 -10.464 -12.264 -8.041 1.00 0.00 N ATOM 0 H LYS A 33 -8.276 -6.211 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.392 -7.562 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.946 -8.548 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.078 -9.585 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.389 -8.801 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.262 -7.712 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.409 -9.715 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.828 -9.683 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.955 -11.237 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.518 -11.250 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.231 -13.175 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.491 -12.204 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.976 -12.192 -8.957 1.00 0.00 H new ATOM 506 N GLY A 34 -5.991 -8.399 -4.569 1.00 0.00 N ATOM 507 CA GLY A 34 -4.578 -8.613 -4.327 1.00 0.00 C ATOM 508 C GLY A 34 -4.021 -7.720 -3.241 1.00 0.00 C ATOM 509 O GLY A 34 -2.804 -7.681 -3.023 1.00 0.00 O ATOM 0 H GLY A 34 -6.616 -8.869 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.416 -9.655 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.027 -8.439 -5.251 1.00 0.00 H new ATOM 513 N ILE A 35 -4.894 -7.004 -2.560 1.00 0.00 N ATOM 514 CA ILE A 35 -4.471 -6.124 -1.487 1.00 0.00 C ATOM 515 C ILE A 35 -4.560 -6.844 -0.151 1.00 0.00 C ATOM 516 O ILE A 35 -5.493 -7.617 0.092 1.00 0.00 O ATOM 517 CB ILE A 35 -5.315 -4.826 -1.422 1.00 0.00 C ATOM 518 CG1 ILE A 35 -6.788 -5.153 -1.148 1.00 0.00 C ATOM 519 CG2 ILE A 35 -5.170 -4.033 -2.716 1.00 0.00 C ATOM 520 CD1 ILE A 35 -7.636 -3.943 -0.837 1.00 0.00 C ATOM 0 H ILE A 35 -5.900 -7.014 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.438 -5.844 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.945 -4.213 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.204 -5.663 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.846 -5.850 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.769 -3.124 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.123 -3.769 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.514 -4.639 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.664 -4.256 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.246 -3.444 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.611 -3.254 -1.681 1.00 0.00 H new ATOM 532 N ILE A 36 -3.579 -6.633 0.698 1.00 0.00 N ATOM 533 CA ILE A 36 -3.583 -7.262 1.999 1.00 0.00 C ATOM 534 C ILE A 36 -4.077 -6.296 3.065 1.00 0.00 C ATOM 535 O ILE A 36 -5.078 -6.558 3.733 1.00 0.00 O ATOM 536 CB ILE A 36 -2.184 -7.801 2.382 1.00 0.00 C ATOM 537 CG1 ILE A 36 -1.728 -8.847 1.362 1.00 0.00 C ATOM 538 CG2 ILE A 36 -2.206 -8.400 3.787 1.00 0.00 C ATOM 539 CD1 ILE A 36 -0.302 -9.308 1.556 1.00 0.00 C ATOM 0 H ILE A 36 -2.774 -6.035 0.513 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.266 -8.109 1.943 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.476 -6.972 2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.390 -9.711 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.833 -8.433 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.214 -8.774 4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.498 -7.633 4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.922 -9.221 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.052 -10.048 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.371 -8.455 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.195 -9.753 2.545 1.00 0.00 H new ATOM 551 N SER A 37 -3.395 -5.167 3.205 1.00 0.00 N ATOM 552 CA SER A 37 -3.758 -4.193 4.213 1.00 0.00 C ATOM 553 C SER A 37 -3.218 -2.811 3.860 1.00 0.00 C ATOM 554 O SER A 37 -2.163 -2.689 3.230 1.00 0.00 O ATOM 555 CB SER A 37 -3.224 -4.635 5.583 1.00 0.00 C ATOM 556 OG SER A 37 -3.584 -3.721 6.608 1.00 0.00 O ATOM 0 H SER A 37 -2.591 -4.908 2.633 1.00 0.00 H new ATOM 0 HA SER A 37 -4.845 -4.131 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.615 -5.624 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.138 -4.723 5.539 1.00 0.00 H new ATOM 0 HG SER A 37 -3.229 -4.035 7.466 1.00 0.00 H new ATOM 562 N MET A 38 -3.955 -1.781 4.244 1.00 0.00 N ATOM 563 CA MET A 38 -3.518 -0.410 4.051 1.00 0.00 C ATOM 564 C MET A 38 -3.912 0.436 5.246 1.00 0.00 C ATOM 565 O MET A 38 -5.066 0.414 5.676 1.00 0.00 O ATOM 566 CB MET A 38 -4.121 0.203 2.783 1.00 0.00 C ATOM 567 CG MET A 38 -3.670 1.643 2.546 1.00 0.00 C ATOM 568 SD MET A 38 -4.439 2.410 1.108 1.00 0.00 S ATOM 569 CE MET A 38 -6.109 2.657 1.707 1.00 0.00 C ATOM 0 H MET A 38 -4.866 -1.871 4.695 1.00 0.00 H new ATOM 0 HA MET A 38 -2.433 -0.426 3.945 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.842 -0.406 1.923 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.208 0.175 2.854 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.899 2.237 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.587 1.660 2.422 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.604 3.417 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.663 1.721 1.637 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.078 2.983 2.747 1.00 0.00 H new ATOM 579 N LYS A 39 -2.965 1.175 5.779 1.00 0.00 N ATOM 580 CA LYS A 39 -3.236 2.062 6.889 1.00 0.00 C ATOM 581 C LYS A 39 -2.911 3.483 6.496 1.00 0.00 C ATOM 582 O LYS A 39 -1.808 3.766 6.030 1.00 0.00 O ATOM 583 CB LYS A 39 -2.422 1.672 8.123 1.00 0.00 C ATOM 584 CG LYS A 39 -2.696 2.559 9.332 1.00 0.00 C ATOM 585 CD LYS A 39 -1.882 2.132 10.537 1.00 0.00 C ATOM 586 CE LYS A 39 -2.185 2.997 11.752 1.00 0.00 C ATOM 587 NZ LYS A 39 -1.820 4.421 11.540 1.00 0.00 N ATOM 0 H LYS A 39 -1.996 1.179 5.460 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.294 1.980 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.643 0.637 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.361 1.720 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.463 3.594 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.757 2.521 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.095 1.089 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.820 2.195 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.247 2.928 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.642 2.610 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.191 4.736 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.332 4.522 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.681 5.004 11.538 1.00 0.00 H new ATOM 601 N VAL A 40 -3.857 4.371 6.678 1.00 0.00 N ATOM 602 CA VAL A 40 -3.655 5.758 6.344 1.00 0.00 C ATOM 603 C VAL A 40 -3.617 6.588 7.609 1.00 0.00 C ATOM 604 O VAL A 40 -4.580 6.613 8.373 1.00 0.00 O ATOM 605 CB VAL A 40 -4.782 6.294 5.434 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.534 7.755 5.083 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.918 5.446 4.175 1.00 0.00 C ATOM 0 H VAL A 40 -4.779 4.156 7.058 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.709 5.833 5.808 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.722 6.229 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.338 8.117 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.504 8.349 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.582 7.847 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.718 5.845 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.981 5.467 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.152 4.418 4.452 1.00 0.00 H new ATOM 617 N SER A 41 -2.516 7.260 7.835 1.00 0.00 N ATOM 618 CA SER A 41 -2.381 8.089 9.002 1.00 0.00 C ATOM 619 C SER A 41 -2.601 9.548 8.625 1.00 0.00 C ATOM 620 O SER A 41 -1.745 10.170 7.991 1.00 0.00 O ATOM 621 CB SER A 41 -0.995 7.900 9.618 1.00 0.00 C ATOM 622 OG SER A 41 -0.758 6.535 9.947 1.00 0.00 O ATOM 0 H SER A 41 -1.700 7.248 7.224 1.00 0.00 H new ATOM 0 HA SER A 41 -3.131 7.800 9.738 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.234 8.245 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.906 8.513 10.515 1.00 0.00 H new ATOM 0 HG SER A 41 0.207 6.380 10.025 1.00 0.00 H new ATOM 628 N LEU A 42 -3.750 10.085 9.008 1.00 0.00 N ATOM 629 CA LEU A 42 -4.099 11.467 8.699 1.00 0.00 C ATOM 630 C LEU A 42 -3.140 12.433 9.371 1.00 0.00 C ATOM 631 O LEU A 42 -2.754 13.443 8.789 1.00 0.00 O ATOM 632 CB LEU A 42 -5.538 11.771 9.128 1.00 0.00 C ATOM 633 CG LEU A 42 -6.635 11.050 8.341 1.00 0.00 C ATOM 634 CD1 LEU A 42 -7.995 11.315 8.961 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.621 11.485 6.883 1.00 0.00 C ATOM 0 H LEU A 42 -4.462 9.582 9.537 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.020 11.597 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.645 11.514 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.703 12.845 9.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.439 9.978 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.763 10.795 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.002 10.955 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.197 12.386 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.408 10.962 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.791 12.560 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.654 11.245 6.441 1.00 0.00 H new ATOM 647 N GLU A 43 -2.755 12.106 10.591 1.00 0.00 N ATOM 648 CA GLU A 43 -1.860 12.942 11.375 1.00 0.00 C ATOM 649 C GLU A 43 -0.488 13.049 10.708 1.00 0.00 C ATOM 650 O GLU A 43 0.116 14.119 10.671 1.00 0.00 O ATOM 651 CB GLU A 43 -1.726 12.350 12.770 1.00 0.00 C ATOM 652 CG GLU A 43 -3.022 12.391 13.562 1.00 0.00 C ATOM 653 CD GLU A 43 -2.935 11.632 14.859 1.00 0.00 C ATOM 654 OE1 GLU A 43 -2.979 10.382 14.824 1.00 0.00 O ATOM 655 OE2 GLU A 43 -2.827 12.273 15.924 1.00 0.00 O ATOM 0 H GLU A 43 -3.053 11.255 11.067 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.276 13.947 11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.389 11.316 12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.956 12.894 13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.283 13.429 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.827 11.975 12.956 1.00 0.00 H new ATOM 662 N GLN A 44 -0.005 11.931 10.181 1.00 0.00 N ATOM 663 CA GLN A 44 1.275 11.906 9.484 1.00 0.00 C ATOM 664 C GLN A 44 1.149 12.487 8.080 1.00 0.00 C ATOM 665 O GLN A 44 2.113 13.005 7.525 1.00 0.00 O ATOM 666 CB GLN A 44 1.832 10.485 9.403 1.00 0.00 C ATOM 667 CG GLN A 44 2.273 9.911 10.737 1.00 0.00 C ATOM 668 CD GLN A 44 2.683 8.455 10.634 1.00 0.00 C ATOM 669 OE1 GLN A 44 2.165 7.707 9.807 1.00 0.00 O ATOM 670 NE2 GLN A 44 3.613 8.043 11.473 1.00 0.00 N ATOM 0 H GLN A 44 -0.480 11.029 10.223 1.00 0.00 H new ATOM 0 HA GLN A 44 1.966 12.522 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.071 9.833 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.681 10.478 8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.109 10.495 11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.460 10.006 11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.019 8.695 12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.927 7.073 11.450 1.00 0.00 H new ATOM 679 N GLY A 45 -0.041 12.390 7.510 1.00 0.00 N ATOM 680 CA GLY A 45 -0.250 12.858 6.157 1.00 0.00 C ATOM 681 C GLY A 45 0.258 11.853 5.145 1.00 0.00 C ATOM 682 O GLY A 45 0.488 12.183 3.980 1.00 0.00 O ATOM 0 H GLY A 45 -0.867 11.995 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.312 13.039 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.261 13.810 6.016 1.00 0.00 H new ATOM 686 N SER A 46 0.429 10.618 5.594 1.00 0.00 N ATOM 687 CA SER A 46 0.942 9.563 4.753 1.00 0.00 C ATOM 688 C SER A 46 0.291 8.226 5.088 1.00 0.00 C ATOM 689 O SER A 46 -0.242 8.038 6.186 1.00 0.00 O ATOM 690 CB SER A 46 2.465 9.478 4.895 1.00 0.00 C ATOM 691 OG SER A 46 2.843 9.219 6.244 1.00 0.00 O ATOM 0 H SER A 46 0.215 10.327 6.548 1.00 0.00 H new ATOM 0 HA SER A 46 0.697 9.796 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.850 8.689 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.917 10.412 4.561 1.00 0.00 H new ATOM 0 HG SER A 46 3.820 9.168 6.306 1.00 0.00 H new ATOM 697 N ALA A 47 0.344 7.308 4.147 1.00 0.00 N ATOM 698 CA ALA A 47 -0.256 6.002 4.309 1.00 0.00 C ATOM 699 C ALA A 47 0.738 4.897 3.994 1.00 0.00 C ATOM 700 O ALA A 47 1.708 5.108 3.266 1.00 0.00 O ATOM 701 CB ALA A 47 -1.469 5.876 3.405 1.00 0.00 C ATOM 0 H ALA A 47 0.805 7.447 3.248 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.563 5.897 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.916 4.890 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.199 6.642 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.164 6.005 2.367 1.00 0.00 H new ATOM 707 N THR A 48 0.497 3.733 4.561 1.00 0.00 N ATOM 708 CA THR A 48 1.314 2.563 4.323 1.00 0.00 C ATOM 709 C THR A 48 0.477 1.532 3.576 1.00 0.00 C ATOM 710 O THR A 48 -0.630 1.198 4.007 1.00 0.00 O ATOM 711 CB THR A 48 1.794 1.954 5.659 1.00 0.00 C ATOM 712 OG1 THR A 48 2.529 2.938 6.399 1.00 0.00 O ATOM 713 CG2 THR A 48 2.687 0.742 5.416 1.00 0.00 C ATOM 0 H THR A 48 -0.278 3.572 5.205 1.00 0.00 H new ATOM 0 HA THR A 48 2.188 2.848 3.737 1.00 0.00 H new ATOM 0 HB THR A 48 0.918 1.636 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.831 2.551 7.247 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.012 0.332 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.130 -0.016 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.559 1.043 4.836 1.00 0.00 H new ATOM 721 N VAL A 49 0.988 1.041 2.465 1.00 0.00 N ATOM 722 CA VAL A 49 0.249 0.083 1.663 1.00 0.00 C ATOM 723 C VAL A 49 0.972 -1.252 1.596 1.00 0.00 C ATOM 724 O VAL A 49 2.203 -1.308 1.656 1.00 0.00 O ATOM 725 CB VAL A 49 0.017 0.607 0.216 1.00 0.00 C ATOM 726 CG1 VAL A 49 -0.824 1.873 0.223 1.00 0.00 C ATOM 727 CG2 VAL A 49 1.343 0.856 -0.495 1.00 0.00 C ATOM 0 H VAL A 49 1.907 1.287 2.097 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.717 -0.054 2.150 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.526 -0.163 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.971 2.218 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.792 1.664 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.313 2.646 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.152 1.222 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.918 1.599 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.908 -0.075 -0.547 1.00 0.00 H new ATOM 737 N LYS A 50 0.198 -2.319 1.499 1.00 0.00 N ATOM 738 CA LYS A 50 0.730 -3.661 1.376 1.00 0.00 C ATOM 739 C LYS A 50 -0.145 -4.468 0.430 1.00 0.00 C ATOM 740 O LYS A 50 -1.320 -4.735 0.725 1.00 0.00 O ATOM 741 CB LYS A 50 0.777 -4.339 2.746 1.00 0.00 C ATOM 742 CG LYS A 50 1.362 -5.745 2.724 1.00 0.00 C ATOM 743 CD LYS A 50 1.287 -6.396 4.095 1.00 0.00 C ATOM 744 CE LYS A 50 2.193 -5.701 5.101 1.00 0.00 C ATOM 745 NZ LYS A 50 2.122 -6.333 6.441 1.00 0.00 N ATOM 0 H LYS A 50 -0.821 -2.276 1.504 1.00 0.00 H new ATOM 0 HA LYS A 50 1.743 -3.608 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.366 -3.722 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.233 -4.384 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.822 -6.355 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.400 -5.704 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.258 -6.370 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.570 -7.445 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.222 -5.728 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.910 -4.651 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.754 -5.830 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.146 -6.285 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.417 -7.328 6.372 1.00 0.00 H new ATOM 759 N TYR A 51 0.418 -4.855 -0.692 1.00 0.00 N ATOM 760 CA TYR A 51 -0.310 -5.607 -1.697 1.00 0.00 C ATOM 761 C TYR A 51 0.639 -6.356 -2.610 1.00 0.00 C ATOM 762 O TYR A 51 1.851 -6.111 -2.597 1.00 0.00 O ATOM 763 CB TYR A 51 -1.231 -4.683 -2.512 1.00 0.00 C ATOM 764 CG TYR A 51 -0.526 -3.517 -3.182 1.00 0.00 C ATOM 765 CD1 TYR A 51 0.112 -3.666 -4.405 1.00 0.00 C ATOM 766 CD2 TYR A 51 -0.519 -2.260 -2.591 1.00 0.00 C ATOM 767 CE1 TYR A 51 0.738 -2.598 -5.018 1.00 0.00 C ATOM 768 CE2 TYR A 51 0.106 -1.190 -3.198 1.00 0.00 C ATOM 769 CZ TYR A 51 0.732 -1.364 -4.410 1.00 0.00 C ATOM 770 OH TYR A 51 1.347 -0.298 -5.020 1.00 0.00 O ATOM 0 H TYR A 51 1.389 -4.660 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.931 -6.339 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.733 -5.275 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.006 -4.292 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.119 -4.633 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.011 -2.118 -1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.230 -2.731 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.104 -0.220 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 51 1.250 0.500 -4.459 1.00 0.00 H new ATOM 780 N VAL A 52 0.096 -7.279 -3.385 1.00 0.00 N ATOM 781 CA VAL A 52 0.891 -8.042 -4.323 1.00 0.00 C ATOM 782 C VAL A 52 1.067 -7.227 -5.612 1.00 0.00 C ATOM 783 O VAL A 52 0.090 -6.941 -6.313 1.00 0.00 O ATOM 784 CB VAL A 52 0.224 -9.400 -4.649 1.00 0.00 C ATOM 785 CG1 VAL A 52 1.109 -10.229 -5.560 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.096 -10.166 -3.374 1.00 0.00 C ATOM 0 H VAL A 52 -0.896 -7.516 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 52 1.862 -8.245 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.712 -9.199 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.620 -11.179 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.280 -9.689 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.064 -10.416 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.564 -11.117 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.824 -10.351 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.778 -9.579 -2.758 1.00 0.00 H new ATOM 796 N PRO A 53 2.318 -6.852 -5.941 1.00 0.00 N ATOM 797 CA PRO A 53 2.621 -5.985 -7.093 1.00 0.00 C ATOM 798 C PRO A 53 2.303 -6.617 -8.450 1.00 0.00 C ATOM 799 O PRO A 53 2.163 -5.910 -9.448 1.00 0.00 O ATOM 800 CB PRO A 53 4.123 -5.723 -6.960 1.00 0.00 C ATOM 801 CG PRO A 53 4.635 -6.876 -6.177 1.00 0.00 C ATOM 802 CD PRO A 53 3.541 -7.240 -5.217 1.00 0.00 C ATOM 0 HA PRO A 53 2.006 -5.085 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.603 -5.662 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.317 -4.779 -6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.877 -7.715 -6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.549 -6.612 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.549 -8.304 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.638 -6.704 -4.273 1.00 0.00 H new ATOM 810 N SER A 54 2.207 -7.936 -8.493 1.00 0.00 N ATOM 811 CA SER A 54 1.904 -8.626 -9.735 1.00 0.00 C ATOM 812 C SER A 54 0.492 -8.293 -10.231 1.00 0.00 C ATOM 813 O SER A 54 0.270 -8.126 -11.432 1.00 0.00 O ATOM 814 CB SER A 54 2.075 -10.137 -9.562 1.00 0.00 C ATOM 815 OG SER A 54 1.207 -10.635 -8.562 1.00 0.00 O ATOM 0 H SER A 54 2.334 -8.547 -7.686 1.00 0.00 H new ATOM 0 HA SER A 54 2.609 -8.280 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.872 -10.640 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.108 -10.361 -9.296 1.00 0.00 H new ATOM 0 HG SER A 54 1.334 -11.603 -8.471 1.00 0.00 H new ATOM 821 N VAL A 55 -0.453 -8.174 -9.302 1.00 0.00 N ATOM 822 CA VAL A 55 -1.837 -7.881 -9.661 1.00 0.00 C ATOM 823 C VAL A 55 -2.183 -6.405 -9.461 1.00 0.00 C ATOM 824 O VAL A 55 -3.070 -5.872 -10.129 1.00 0.00 O ATOM 825 CB VAL A 55 -2.836 -8.776 -8.886 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.696 -10.224 -9.326 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.618 -8.661 -7.387 1.00 0.00 C ATOM 0 H VAL A 55 -0.287 -8.275 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.930 -8.107 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.846 -8.433 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.404 -10.842 -8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.903 -10.302 -10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.681 -10.568 -9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.332 -9.299 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.604 -8.975 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.762 -7.626 -7.077 1.00 0.00 H new ATOM 837 N VAL A 56 -1.490 -5.750 -8.545 1.00 0.00 N ATOM 838 CA VAL A 56 -1.679 -4.324 -8.324 1.00 0.00 C ATOM 839 C VAL A 56 -0.343 -3.622 -8.444 1.00 0.00 C ATOM 840 O VAL A 56 0.608 -3.976 -7.764 1.00 0.00 O ATOM 841 CB VAL A 56 -2.298 -4.017 -6.933 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.459 -2.515 -6.734 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.637 -4.713 -6.773 1.00 0.00 C ATOM 0 H VAL A 56 -0.791 -6.182 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.377 -3.962 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.617 -4.397 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.894 -2.322 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.484 -2.033 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.114 -2.114 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.051 -4.483 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.322 -4.366 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.500 -5.790 -6.866 1.00 0.00 H new ATOM 853 N CYS A 57 -0.266 -2.637 -9.303 1.00 0.00 N ATOM 854 CA CYS A 57 0.982 -1.933 -9.506 1.00 0.00 C ATOM 855 C CYS A 57 0.965 -0.578 -8.807 1.00 0.00 C ATOM 856 O CYS A 57 -0.089 -0.112 -8.354 1.00 0.00 O ATOM 857 CB CYS A 57 1.263 -1.766 -10.996 1.00 0.00 C ATOM 858 SG CYS A 57 0.083 -0.712 -11.852 1.00 0.00 S ATOM 0 H CYS A 57 -1.045 -2.304 -9.871 1.00 0.00 H new ATOM 0 HA CYS A 57 1.783 -2.528 -9.067 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.263 -1.351 -11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.264 -2.749 -11.467 1.00 0.00 H new ATOM 0 HG CYS A 57 0.406 -0.630 -13.108 1.00 0.00 H new ATOM 864 N LEU A 58 2.129 0.051 -8.727 1.00 0.00 N ATOM 865 CA LEU A 58 2.272 1.351 -8.082 1.00 0.00 C ATOM 866 C LEU A 58 1.479 2.412 -8.836 1.00 0.00 C ATOM 867 O LEU A 58 0.856 3.292 -8.230 1.00 0.00 O ATOM 868 CB LEU A 58 3.751 1.758 -8.027 1.00 0.00 C ATOM 869 CG LEU A 58 4.664 0.873 -7.172 1.00 0.00 C ATOM 870 CD1 LEU A 58 6.109 1.329 -7.291 1.00 0.00 C ATOM 871 CD2 LEU A 58 4.222 0.886 -5.718 1.00 0.00 C ATOM 0 H LEU A 58 2.999 -0.323 -9.106 1.00 0.00 H new ATOM 0 HA LEU A 58 1.883 1.272 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.141 1.771 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.812 2.779 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 58 4.590 -0.150 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.744 0.690 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.426 1.264 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.194 2.360 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.885 0.251 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.262 1.906 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.201 0.511 -5.645 1.00 0.00 H new ATOM 883 N GLN A 59 1.491 2.304 -10.162 1.00 0.00 N ATOM 884 CA GLN A 59 0.827 3.274 -11.021 1.00 0.00 C ATOM 885 C GLN A 59 -0.670 3.322 -10.774 1.00 0.00 C ATOM 886 O GLN A 59 -1.253 4.396 -10.739 1.00 0.00 O ATOM 887 CB GLN A 59 1.086 2.958 -12.489 1.00 0.00 C ATOM 888 CG GLN A 59 2.516 3.190 -12.927 1.00 0.00 C ATOM 889 CD GLN A 59 2.765 2.725 -14.344 1.00 0.00 C ATOM 890 OE1 GLN A 59 2.134 1.778 -14.826 1.00 0.00 O ATOM 891 NE2 GLN A 59 3.670 3.390 -15.026 1.00 0.00 N ATOM 0 H GLN A 59 1.957 1.549 -10.665 1.00 0.00 H new ATOM 0 HA GLN A 59 1.245 4.251 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.824 1.917 -12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.425 3.569 -13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.750 4.252 -12.849 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.190 2.665 -12.251 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.169 4.166 -14.590 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.874 3.130 -15.991 1.00 0.00 H new ATOM 900 N GLN A 60 -1.289 2.161 -10.588 1.00 0.00 N ATOM 901 CA GLN A 60 -2.733 2.103 -10.373 1.00 0.00 C ATOM 902 C GLN A 60 -3.137 2.842 -9.109 1.00 0.00 C ATOM 903 O GLN A 60 -4.067 3.634 -9.126 1.00 0.00 O ATOM 904 CB GLN A 60 -3.208 0.652 -10.296 1.00 0.00 C ATOM 905 CG GLN A 60 -3.156 -0.091 -11.620 1.00 0.00 C ATOM 906 CD GLN A 60 -3.423 -1.576 -11.459 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.121 -2.165 -10.420 1.00 0.00 O ATOM 908 NE2 GLN A 60 -3.976 -2.191 -12.482 1.00 0.00 N ATOM 0 H GLN A 60 -0.820 1.255 -10.581 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.209 2.592 -11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.596 0.119 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.232 0.636 -9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.891 0.336 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.176 0.052 -12.076 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.211 -1.668 -13.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.169 -3.191 -12.432 1.00 0.00 H new ATOM 917 N VAL A 61 -2.405 2.612 -8.029 1.00 0.00 N ATOM 918 CA VAL A 61 -2.719 3.247 -6.749 1.00 0.00 C ATOM 919 C VAL A 61 -2.559 4.762 -6.835 1.00 0.00 C ATOM 920 O VAL A 61 -3.441 5.524 -6.411 1.00 0.00 O ATOM 921 CB VAL A 61 -1.835 2.685 -5.606 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.045 3.463 -4.311 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.119 1.205 -5.394 1.00 0.00 C ATOM 0 H VAL A 61 -1.593 1.995 -8.009 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.760 3.017 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.792 2.802 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.411 3.045 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.784 4.509 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.090 3.391 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.490 0.826 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.168 1.070 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.902 0.658 -6.312 1.00 0.00 H new ATOM 933 N CYS A 62 -1.449 5.189 -7.405 1.00 0.00 N ATOM 934 CA CYS A 62 -1.171 6.595 -7.573 1.00 0.00 C ATOM 935 C CYS A 62 -2.223 7.234 -8.471 1.00 0.00 C ATOM 936 O CYS A 62 -2.716 8.326 -8.194 1.00 0.00 O ATOM 937 CB CYS A 62 0.225 6.791 -8.162 1.00 0.00 C ATOM 938 SG CYS A 62 0.720 8.517 -8.336 1.00 0.00 S ATOM 0 H CYS A 62 -0.720 4.571 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.206 7.080 -6.597 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.949 6.279 -7.528 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.264 6.313 -9.141 1.00 0.00 H new ATOM 0 HG CYS A 62 1.916 8.577 -8.841 1.00 0.00 H new ATOM 944 N HIS A 63 -2.557 6.540 -9.544 1.00 0.00 N ATOM 945 CA HIS A 63 -3.528 7.026 -10.508 1.00 0.00 C ATOM 946 C HIS A 63 -4.906 7.201 -9.883 1.00 0.00 C ATOM 947 O HIS A 63 -5.584 8.175 -10.157 1.00 0.00 O ATOM 948 CB HIS A 63 -3.604 6.104 -11.733 1.00 0.00 C ATOM 949 CG HIS A 63 -4.581 6.566 -12.773 1.00 0.00 C ATOM 950 ND1 HIS A 63 -5.803 5.968 -12.978 1.00 0.00 N ATOM 951 CD2 HIS A 63 -4.514 7.587 -13.656 1.00 0.00 C ATOM 952 CE1 HIS A 63 -6.446 6.601 -13.943 1.00 0.00 C ATOM 953 NE2 HIS A 63 -5.685 7.588 -14.370 1.00 0.00 N ATOM 0 H HIS A 63 -2.164 5.626 -9.771 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.187 8.007 -10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.614 6.030 -12.184 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.881 5.102 -11.406 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.690 8.275 -13.777 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.428 6.352 -14.318 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.927 8.246 -15.111 1.00 0.00 H new ATOM 961 N GLN A 64 -5.311 6.255 -9.046 1.00 0.00 N ATOM 962 CA GLN A 64 -6.644 6.293 -8.448 1.00 0.00 C ATOM 963 C GLN A 64 -6.835 7.543 -7.599 1.00 0.00 C ATOM 964 O GLN A 64 -7.875 8.196 -7.674 1.00 0.00 O ATOM 965 CB GLN A 64 -6.875 5.051 -7.598 1.00 0.00 C ATOM 966 CG GLN A 64 -6.966 3.779 -8.416 1.00 0.00 C ATOM 967 CD GLN A 64 -7.012 2.530 -7.567 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.494 2.494 -6.455 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.614 1.489 -8.100 1.00 0.00 N ATOM 0 H GLN A 64 -4.742 5.456 -8.766 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.372 6.317 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.063 4.955 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.795 5.175 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.858 3.819 -9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.109 3.724 -9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.032 1.561 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.663 0.610 -7.586 1.00 0.00 H new ATOM 978 N ILE A 65 -5.834 7.886 -6.804 1.00 0.00 N ATOM 979 CA ILE A 65 -5.919 9.086 -5.989 1.00 0.00 C ATOM 980 C ILE A 65 -5.656 10.347 -6.830 1.00 0.00 C ATOM 981 O ILE A 65 -6.314 11.375 -6.650 1.00 0.00 O ATOM 982 CB ILE A 65 -4.975 9.029 -4.751 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.207 10.242 -3.839 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.514 8.932 -5.170 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.495 10.152 -2.505 1.00 0.00 C ATOM 0 H ILE A 65 -4.966 7.359 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.939 9.138 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.214 8.127 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.875 11.142 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.277 10.352 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.883 8.894 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.364 8.028 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.248 9.804 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.708 11.045 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.844 9.272 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.420 10.074 -2.671 1.00 0.00 H new ATOM 997 N GLY A 66 -4.714 10.242 -7.768 1.00 0.00 N ATOM 998 CA GLY A 66 -4.381 11.359 -8.638 1.00 0.00 C ATOM 999 C GLY A 66 -5.544 11.784 -9.511 1.00 0.00 C ATOM 1000 O GLY A 66 -5.780 12.976 -9.714 1.00 0.00 O ATOM 0 H GLY A 66 -4.172 9.395 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.060 12.205 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.538 11.083 -9.271 1.00 0.00 H new ATOM 1004 N ASP A 67 -6.276 10.804 -10.018 1.00 0.00 N ATOM 1005 CA ASP A 67 -7.435 11.039 -10.879 1.00 0.00 C ATOM 1006 C ASP A 67 -8.517 11.805 -10.131 1.00 0.00 C ATOM 1007 O ASP A 67 -9.319 12.523 -10.729 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.989 9.716 -11.408 1.00 0.00 C ATOM 1009 CG ASP A 67 -9.060 9.912 -12.455 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -8.743 10.444 -13.541 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -10.220 9.522 -12.208 1.00 0.00 O ATOM 0 H ASP A 67 -6.085 9.817 -9.846 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.111 11.643 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.174 9.129 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.398 9.140 -10.578 1.00 0.00 H new ATOM 1016 N MET A 68 -8.526 11.646 -8.814 1.00 0.00 N ATOM 1017 CA MET A 68 -9.481 12.331 -7.947 1.00 0.00 C ATOM 1018 C MET A 68 -9.157 13.824 -7.860 1.00 0.00 C ATOM 1019 O MET A 68 -9.925 14.604 -7.306 1.00 0.00 O ATOM 1020 CB MET A 68 -9.467 11.718 -6.543 1.00 0.00 C ATOM 1021 CG MET A 68 -9.915 10.263 -6.478 1.00 0.00 C ATOM 1022 SD MET A 68 -11.621 10.010 -7.022 1.00 0.00 S ATOM 1023 CE MET A 68 -11.375 9.525 -8.731 1.00 0.00 C ATOM 0 H MET A 68 -7.874 11.040 -8.316 1.00 0.00 H new ATOM 0 HA MET A 68 -10.475 12.210 -8.378 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.457 11.791 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.112 12.312 -5.896 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.251 9.659 -7.096 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.811 9.904 -5.454 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.980 10.158 -9.380 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.323 9.637 -8.993 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.672 8.484 -8.860 1.00 0.00 H new ATOM 1033 N GLY A 69 -8.008 14.207 -8.401 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.607 15.597 -8.390 1.00 0.00 C ATOM 1035 C GLY A 69 -6.673 15.916 -7.250 1.00 0.00 C ATOM 1036 O GLY A 69 -6.306 17.069 -7.039 1.00 0.00 O ATOM 0 H GLY A 69 -7.345 13.575 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.120 15.839 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.493 16.228 -8.318 1.00 0.00 H new ATOM 1040 N PHE A 70 -6.271 14.897 -6.525 1.00 0.00 N ATOM 1041 CA PHE A 70 -5.372 15.075 -5.406 1.00 0.00 C ATOM 1042 C PHE A 70 -4.017 14.480 -5.732 1.00 0.00 C ATOM 1043 O PHE A 70 -3.931 13.413 -6.332 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.955 14.435 -4.148 1.00 0.00 C ATOM 1045 CG PHE A 70 -7.255 15.056 -3.709 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -7.260 16.185 -2.909 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.469 14.511 -4.101 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -8.450 16.760 -2.506 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.662 15.082 -3.701 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.652 16.207 -2.902 1.00 0.00 C ATOM 0 H PHE A 70 -6.554 13.931 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.247 16.141 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.112 13.372 -4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.230 14.517 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.323 16.622 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.482 13.630 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.440 17.641 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.601 14.649 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.583 16.655 -2.587 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.967 15.176 -5.356 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.624 14.723 -5.645 1.00 0.00 C ATOM 1062 C GLU A 71 -1.113 13.818 -4.540 1.00 0.00 C ATOM 1063 O GLU A 71 -1.378 14.051 -3.361 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.669 15.904 -5.824 1.00 0.00 C ATOM 1065 CG GLU A 71 0.723 15.482 -6.264 1.00 0.00 C ATOM 1066 CD GLU A 71 1.691 16.631 -6.356 1.00 0.00 C ATOM 1067 OE1 GLU A 71 2.257 17.014 -5.313 1.00 0.00 O ATOM 1068 OE2 GLU A 71 1.918 17.136 -7.474 1.00 0.00 O ATOM 0 H GLU A 71 -3.017 16.059 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.662 14.161 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.084 16.591 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.596 16.451 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.111 14.744 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.657 14.993 -7.236 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.408 12.779 -4.925 1.00 0.00 N ATOM 1076 CA ALA A 72 0.185 11.874 -3.975 1.00 0.00 C ATOM 1077 C ALA A 72 1.574 11.473 -4.433 1.00 0.00 C ATOM 1078 O ALA A 72 1.795 11.218 -5.620 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.690 10.645 -3.797 1.00 0.00 C ATOM 0 H ALA A 72 -0.232 12.541 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 72 0.267 12.381 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.228 9.971 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.672 10.947 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.799 10.134 -4.754 1.00 0.00 H new ATOM 1085 N SER A 73 2.502 11.422 -3.506 1.00 0.00 N ATOM 1086 CA SER A 73 3.861 11.021 -3.813 1.00 0.00 C ATOM 1087 C SER A 73 4.188 9.773 -3.021 1.00 0.00 C ATOM 1088 O SER A 73 3.822 9.667 -1.852 1.00 0.00 O ATOM 1089 CB SER A 73 4.843 12.147 -3.477 1.00 0.00 C ATOM 1090 OG SER A 73 4.527 13.333 -4.196 1.00 0.00 O ATOM 0 H SER A 73 2.342 11.654 -2.526 1.00 0.00 H new ATOM 0 HA SER A 73 3.950 10.812 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.817 12.349 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.858 11.832 -3.717 1.00 0.00 H new ATOM 0 HG SER A 73 5.167 14.037 -3.963 1.00 0.00 H new ATOM 1096 N ILE A 74 4.874 8.838 -3.637 1.00 0.00 N ATOM 1097 CA ILE A 74 5.127 7.569 -2.998 1.00 0.00 C ATOM 1098 C ILE A 74 6.627 7.323 -2.813 1.00 0.00 C ATOM 1099 O ILE A 74 7.439 7.646 -3.685 1.00 0.00 O ATOM 1100 CB ILE A 74 4.467 6.416 -3.806 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.522 5.102 -3.036 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.123 6.265 -5.175 1.00 0.00 C ATOM 1103 CD1 ILE A 74 3.682 4.004 -3.655 1.00 0.00 C ATOM 0 H ILE A 74 5.265 8.932 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 74 4.679 7.596 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 74 3.419 6.675 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.558 4.767 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.185 5.274 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.644 5.452 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.013 7.193 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.182 6.042 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.768 3.098 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.639 4.319 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.033 3.804 -4.667 1.00 0.00 H new ATOM 1115 N ALA A 75 6.978 6.768 -1.667 1.00 0.00 N ATOM 1116 CA ALA A 75 8.358 6.497 -1.316 1.00 0.00 C ATOM 1117 C ALA A 75 8.445 5.234 -0.477 1.00 0.00 C ATOM 1118 O ALA A 75 7.444 4.776 0.071 1.00 0.00 O ATOM 1119 CB ALA A 75 8.947 7.674 -0.551 1.00 0.00 C ATOM 0 H ALA A 75 6.308 6.491 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 75 8.930 6.352 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.984 7.458 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.906 8.569 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.373 7.839 0.361 1.00 0.00 H new ATOM 1125 N GLU A 76 9.622 4.645 -0.418 1.00 0.00 N ATOM 1126 CA GLU A 76 9.832 3.458 0.390 1.00 0.00 C ATOM 1127 C GLU A 76 9.633 3.798 1.871 1.00 0.00 C ATOM 1128 O GLU A 76 8.558 3.467 2.421 1.00 0.00 O ATOM 1129 CB GLU A 76 11.237 2.887 0.150 1.00 0.00 C ATOM 1130 CG GLU A 76 11.504 1.567 0.864 1.00 0.00 C ATOM 1131 CD GLU A 76 10.546 0.472 0.449 1.00 0.00 C ATOM 1132 OE1 GLU A 76 10.623 0.015 -0.715 1.00 0.00 O ATOM 1133 OE2 GLU A 76 9.711 0.060 1.282 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.532 4.430 2.467 1.00 0.00 O ATOM 0 H GLU A 76 10.449 4.968 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 76 9.104 2.699 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.381 2.744 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.975 3.620 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.525 1.247 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.430 1.720 1.941 1.00 0.00 H new