USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 32 ASN : amide:sc= 1.02 K(o=1.5,f=-4.9!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.484 K(o=1.5,f=-8.6!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 HIS : no HE2:sc= 1.11 K(o=3.2,f=-5.1!) USER MOD Set 2.3: A 86 THR OG1 : rot -43:sc= 2.07 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 163:sc= -0.11 (180deg=-0.463) USER MOD Single : A 59 ASN : amide:sc= -1.79! C(o=-1.8!,f=-8.4!) USER MOD Single : A 61 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.66) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= -2.42! USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.17) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 84:sc= 1.25 USER MOD Single : A 77 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.69) USER MOD Single : A 84 MET CE :methyl -163:sc= -2.11 (180deg=-3.1!) USER MOD Single : A 87 MET CE :methyl -144:sc= -0.533 (180deg=-2.04) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.548 -7.023 2.828 1.00 0.00 N ATOM 55 CA ASN A 11 13.178 -7.104 2.306 1.00 0.00 C ATOM 56 C ASN A 11 12.163 -6.908 3.401 1.00 0.00 C ATOM 57 O ASN A 11 11.756 -7.844 4.085 1.00 0.00 O ATOM 58 CB ASN A 11 12.891 -8.377 1.487 1.00 0.00 C ATOM 59 CG ASN A 11 13.535 -8.355 0.119 1.00 0.00 C ATOM 60 OD1 ASN A 11 12.942 -7.879 -0.848 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.715 -8.893 0.006 1.00 0.00 N ATOM 0 HA ASN A 11 13.085 -6.281 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.250 -9.246 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.813 -8.495 1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.174 -8.928 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.180 -9.279 0.828 1.00 0.00 H new ATOM 68 N VAL A 12 11.770 -5.690 3.572 1.00 0.00 N ATOM 69 CA VAL A 12 10.886 -5.315 4.607 1.00 0.00 C ATOM 70 C VAL A 12 9.752 -4.542 4.018 1.00 0.00 C ATOM 71 O VAL A 12 9.936 -3.617 3.219 1.00 0.00 O ATOM 72 CB VAL A 12 11.583 -4.488 5.740 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.567 -3.914 6.711 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.557 -5.350 6.516 1.00 0.00 C ATOM 0 H VAL A 12 12.066 -4.915 2.978 1.00 0.00 H new ATOM 0 HA VAL A 12 10.521 -6.227 5.080 1.00 0.00 H new ATOM 0 HB VAL A 12 12.118 -3.672 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.084 -3.346 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.882 -3.257 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.005 -4.726 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.028 -4.754 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.023 -6.185 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.322 -5.733 5.841 1.00 0.00 H new ATOM 84 N THR A 13 8.624 -4.967 4.362 1.00 0.00 N ATOM 85 CA THR A 13 7.410 -4.398 3.999 1.00 0.00 C ATOM 86 C THR A 13 6.761 -3.901 5.255 1.00 0.00 C ATOM 87 O THR A 13 6.357 -4.692 6.131 1.00 0.00 O ATOM 88 CB THR A 13 6.551 -5.465 3.314 1.00 0.00 C ATOM 89 OG1 THR A 13 7.080 -5.775 2.016 1.00 0.00 O ATOM 90 CG2 THR A 13 5.080 -5.087 3.234 1.00 0.00 C ATOM 0 H THR A 13 8.512 -5.790 4.954 1.00 0.00 H new ATOM 0 HA THR A 13 7.538 -3.570 3.302 1.00 0.00 H new ATOM 0 HB THR A 13 6.597 -6.358 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.522 -6.459 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.526 -5.884 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.686 -4.943 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.972 -4.163 2.666 1.00 0.00 H new ATOM 98 N THR A 14 6.740 -2.635 5.385 1.00 0.00 N ATOM 99 CA THR A 14 6.144 -2.026 6.490 1.00 0.00 C ATOM 100 C THR A 14 4.649 -2.020 6.282 1.00 0.00 C ATOM 101 O THR A 14 4.150 -1.753 5.173 1.00 0.00 O ATOM 102 CB THR A 14 6.641 -0.601 6.652 1.00 0.00 C ATOM 103 OG1 THR A 14 8.081 -0.591 6.626 1.00 0.00 O ATOM 104 CG2 THR A 14 6.147 0.003 7.965 1.00 0.00 C ATOM 0 H THR A 14 7.145 -1.985 4.711 1.00 0.00 H new ATOM 0 HA THR A 14 6.403 -2.581 7.392 1.00 0.00 H new ATOM 0 HB THR A 14 6.251 -0.001 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.404 0.329 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.517 1.024 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.057 0.009 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.514 -0.593 8.801 1.00 0.00 H new ATOM 112 N VAL A 15 3.969 -2.352 7.300 1.00 0.00 N ATOM 113 CA VAL A 15 2.567 -2.412 7.304 1.00 0.00 C ATOM 114 C VAL A 15 2.059 -1.405 8.253 1.00 0.00 C ATOM 115 O VAL A 15 2.601 -1.251 9.351 1.00 0.00 O ATOM 116 CB VAL A 15 2.092 -3.803 7.737 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.596 -3.818 7.973 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.442 -4.803 6.680 1.00 0.00 C ATOM 0 H VAL A 15 4.391 -2.601 8.195 1.00 0.00 H new ATOM 0 HA VAL A 15 2.192 -2.214 6.300 1.00 0.00 H new ATOM 0 HB VAL A 15 2.590 -4.061 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.286 -4.817 8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.344 -3.104 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.080 -3.544 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.104 -5.792 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.955 -4.529 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.522 -4.817 6.536 1.00 0.00 H new ATOM 128 N LEU A 16 1.068 -0.700 7.858 1.00 0.00 N ATOM 129 CA LEU A 16 0.463 0.182 8.738 1.00 0.00 C ATOM 130 C LEU A 16 -0.974 -0.170 8.881 1.00 0.00 C ATOM 131 O LEU A 16 -1.755 -0.078 7.937 1.00 0.00 O ATOM 132 CB LEU A 16 0.580 1.615 8.322 1.00 0.00 C ATOM 133 CG LEU A 16 -0.006 2.559 9.346 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.886 2.687 10.552 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.310 3.868 8.758 1.00 0.00 C ATOM 0 H LEU A 16 0.667 -0.727 6.921 1.00 0.00 H new ATOM 0 HA LEU A 16 0.988 0.085 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.630 1.861 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.072 1.757 7.368 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.949 2.129 9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.434 3.373 11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.012 1.709 11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.859 3.071 10.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.730 4.522 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.605 4.311 8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.031 3.745 7.950 1.00 0.00 H new ATOM 147 N ILE A 17 -1.325 -0.524 10.037 1.00 0.00 N ATOM 148 CA ILE A 17 -2.662 -0.837 10.331 1.00 0.00 C ATOM 149 C ILE A 17 -3.287 0.369 10.941 1.00 0.00 C ATOM 150 O ILE A 17 -2.656 1.064 11.718 1.00 0.00 O ATOM 151 CB ILE A 17 -2.750 -2.067 11.310 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.949 -3.356 10.541 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.871 -1.922 12.340 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.314 -3.421 9.907 1.00 0.00 C ATOM 0 H ILE A 17 -0.686 -0.609 10.828 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.190 -1.116 9.419 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.801 -2.096 11.845 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.185 -3.441 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.819 -4.204 11.213 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.885 -2.798 12.988 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.700 -1.029 12.941 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.828 -1.835 11.826 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.419 -4.360 9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.078 -3.363 10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.434 -2.587 9.215 1.00 0.00 H new ATOM 166 N ARG A 18 -4.450 0.686 10.478 1.00 0.00 N ATOM 167 CA ARG A 18 -5.250 1.666 11.103 1.00 0.00 C ATOM 168 C ARG A 18 -6.434 0.954 11.660 1.00 0.00 C ATOM 169 O ARG A 18 -7.348 0.574 10.946 1.00 0.00 O ATOM 170 CB ARG A 18 -5.657 2.753 10.117 1.00 0.00 C ATOM 171 CG ARG A 18 -4.594 3.820 9.891 1.00 0.00 C ATOM 172 CD ARG A 18 -4.539 4.799 11.050 1.00 0.00 C ATOM 173 NE ARG A 18 -5.854 5.420 11.298 1.00 0.00 N ATOM 174 CZ ARG A 18 -6.205 6.680 10.976 1.00 0.00 C ATOM 175 NH1 ARG A 18 -5.325 7.509 10.431 1.00 0.00 N ATOM 176 NH2 ARG A 18 -7.437 7.101 11.225 1.00 0.00 N ATOM 0 H ARG A 18 -4.868 0.265 9.649 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.702 2.174 11.896 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.899 2.289 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.567 3.233 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.621 3.346 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.807 4.358 8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.205 4.281 11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.804 5.575 10.837 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.561 4.843 11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.371 7.195 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.602 8.461 10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.113 6.472 11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.709 8.054 10.984 1.00 0.00 H new ATOM 190 N ARG A 19 -6.367 0.732 12.921 1.00 0.00 N ATOM 191 CA ARG A 19 -7.383 0.045 13.647 1.00 0.00 C ATOM 192 C ARG A 19 -8.260 1.037 14.389 1.00 0.00 C ATOM 193 O ARG A 19 -7.807 1.663 15.329 1.00 0.00 O ATOM 194 CB ARG A 19 -6.715 -0.920 14.608 1.00 0.00 C ATOM 195 CG ARG A 19 -7.659 -1.634 15.530 1.00 0.00 C ATOM 196 CD ARG A 19 -6.940 -2.683 16.340 1.00 0.00 C ATOM 197 NE ARG A 19 -7.878 -3.506 17.069 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.562 -4.492 17.892 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.335 -4.613 18.333 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.505 -5.332 18.310 1.00 0.00 N ATOM 0 H ARG A 19 -5.581 1.031 13.499 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.024 -0.512 12.964 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.160 -1.661 14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.988 -0.372 15.207 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.132 -0.915 16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.455 -2.101 14.950 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.338 -3.308 15.680 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.254 -2.202 17.037 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.870 -3.309 16.937 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.620 -3.946 18.042 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.094 -5.374 18.968 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.468 -5.215 17.996 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.265 -6.093 18.945 1.00 0.00 H new ATOM 214 N PRO A 20 -9.522 1.194 13.971 1.00 0.00 N ATOM 215 CA PRO A 20 -10.463 2.159 14.574 1.00 0.00 C ATOM 216 C PRO A 20 -10.629 1.992 16.091 1.00 0.00 C ATOM 217 O PRO A 20 -10.735 2.988 16.825 1.00 0.00 O ATOM 218 CB PRO A 20 -11.781 1.854 13.867 1.00 0.00 C ATOM 219 CG PRO A 20 -11.375 1.271 12.566 1.00 0.00 C ATOM 220 CD PRO A 20 -10.143 0.469 12.843 1.00 0.00 C ATOM 0 HA PRO A 20 -10.108 3.182 14.450 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.389 1.156 14.443 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.376 2.757 13.730 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.166 0.643 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.176 2.053 11.833 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.383 -0.561 13.108 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.483 0.430 11.976 1.00 0.00 H new ATOM 228 N ASP A 21 -10.639 0.745 16.553 1.00 0.00 N ATOM 229 CA ASP A 21 -10.813 0.411 17.972 1.00 0.00 C ATOM 230 C ASP A 21 -10.693 -1.088 18.152 1.00 0.00 C ATOM 231 O ASP A 21 -10.454 -1.814 17.174 1.00 0.00 O ATOM 232 CB ASP A 21 -12.165 0.910 18.534 1.00 0.00 C ATOM 233 CG ASP A 21 -13.361 0.312 17.853 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.812 -0.769 18.265 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.897 0.936 16.914 1.00 0.00 O ATOM 0 H ASP A 21 -10.526 -0.072 15.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.030 0.920 18.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.212 0.681 19.599 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.209 1.995 18.439 1.00 0.00 H new ATOM 240 N LEU A 22 -10.890 -1.559 19.373 1.00 0.00 N ATOM 241 CA LEU A 22 -10.693 -2.964 19.723 1.00 0.00 C ATOM 242 C LEU A 22 -11.761 -3.912 19.203 1.00 0.00 C ATOM 243 O LEU A 22 -11.619 -5.132 19.325 1.00 0.00 O ATOM 244 CB LEU A 22 -10.483 -3.127 21.218 1.00 0.00 C ATOM 245 CG LEU A 22 -9.236 -2.442 21.767 1.00 0.00 C ATOM 246 CD1 LEU A 22 -9.072 -2.749 23.219 1.00 0.00 C ATOM 247 CD2 LEU A 22 -8.015 -2.872 20.982 1.00 0.00 C ATOM 0 H LEU A 22 -11.192 -0.978 20.155 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.785 -3.263 19.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.356 -2.733 21.738 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.428 -4.191 21.449 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.349 -1.363 21.659 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.178 -2.253 23.597 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.944 -2.392 23.767 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.974 -3.826 23.354 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.131 -2.376 21.383 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.893 -3.952 21.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.141 -2.598 19.935 1.00 0.00 H new ATOM 259 N ARG A 23 -12.806 -3.381 18.624 1.00 0.00 N ATOM 260 CA ARG A 23 -13.840 -4.219 18.007 1.00 0.00 C ATOM 261 C ARG A 23 -13.449 -4.592 16.598 1.00 0.00 C ATOM 262 O ARG A 23 -14.033 -5.491 15.994 1.00 0.00 O ATOM 263 CB ARG A 23 -15.225 -3.558 18.008 1.00 0.00 C ATOM 264 CG ARG A 23 -15.915 -3.514 19.361 1.00 0.00 C ATOM 265 CD ARG A 23 -16.128 -4.917 19.888 1.00 0.00 C ATOM 266 NE ARG A 23 -16.940 -4.958 21.099 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.961 -5.990 21.944 1.00 0.00 C ATOM 268 NH1 ARG A 23 -16.023 -6.936 21.861 1.00 0.00 N ATOM 269 NH2 ARG A 23 -17.880 -6.058 22.896 1.00 0.00 N ATOM 0 H ARG A 23 -12.977 -2.378 18.559 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.913 -5.119 18.618 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.125 -2.539 17.635 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.866 -4.092 17.307 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.312 -2.941 20.066 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.873 -3.002 19.272 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.607 -5.519 19.116 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.159 -5.373 20.092 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.526 -4.151 21.312 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.292 -6.869 21.153 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.037 -7.726 22.506 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.577 -5.319 22.986 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.891 -6.850 23.539 1.00 0.00 H new ATOM 283 N TYR A 24 -12.462 -3.908 16.085 1.00 0.00 N ATOM 284 CA TYR A 24 -11.955 -4.177 14.769 1.00 0.00 C ATOM 285 C TYR A 24 -10.677 -4.931 14.910 1.00 0.00 C ATOM 286 O TYR A 24 -9.713 -4.384 15.388 1.00 0.00 O ATOM 287 CB TYR A 24 -11.700 -2.873 13.996 1.00 0.00 C ATOM 288 CG TYR A 24 -12.944 -2.176 13.486 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.833 -1.553 14.351 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.221 -2.148 12.126 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.966 -0.924 13.871 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.348 -1.521 11.638 1.00 0.00 C ATOM 293 CZ TYR A 24 -15.216 -0.910 12.513 1.00 0.00 C ATOM 294 OH TYR A 24 -16.348 -0.295 12.032 1.00 0.00 O ATOM 0 H TYR A 24 -11.987 -3.147 16.570 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.690 -4.758 14.212 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.156 -2.185 14.644 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.051 -3.092 13.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.637 -1.560 15.413 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.541 -2.626 11.437 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.652 -0.446 14.554 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.548 -1.510 10.577 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.373 -0.374 11.056 1.00 0.00 H new ATOM 304 N GLN A 25 -10.678 -6.186 14.571 1.00 0.00 N ATOM 305 CA GLN A 25 -9.469 -6.963 14.655 1.00 0.00 C ATOM 306 C GLN A 25 -8.621 -6.740 13.435 1.00 0.00 C ATOM 307 O GLN A 25 -9.120 -6.269 12.418 1.00 0.00 O ATOM 308 CB GLN A 25 -9.737 -8.445 14.866 1.00 0.00 C ATOM 309 CG GLN A 25 -10.380 -8.765 16.193 1.00 0.00 C ATOM 310 CD GLN A 25 -10.486 -10.245 16.416 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.473 -10.870 16.046 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.483 -10.828 17.016 1.00 0.00 N ATOM 0 H GLN A 25 -11.496 -6.695 14.235 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.926 -6.619 15.535 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.381 -8.806 14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.796 -8.990 14.788 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.797 -8.317 16.997 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.374 -8.319 16.233 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.676 -10.278 17.311 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.507 -11.833 17.189 1.00 0.00 H new ATOM 321 N LEU A 26 -7.357 -7.105 13.553 1.00 0.00 N ATOM 322 CA LEU A 26 -6.333 -6.887 12.531 1.00 0.00 C ATOM 323 C LEU A 26 -6.800 -7.425 11.175 1.00 0.00 C ATOM 324 O LEU A 26 -6.784 -6.717 10.175 1.00 0.00 O ATOM 325 CB LEU A 26 -4.996 -7.573 12.925 1.00 0.00 C ATOM 326 CG LEU A 26 -4.368 -7.301 14.334 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.315 -5.824 14.691 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.021 -8.130 15.447 1.00 0.00 C ATOM 0 H LEU A 26 -6.998 -7.575 14.384 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.168 -5.812 12.455 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.144 -8.649 12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.254 -7.292 12.178 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.334 -7.637 14.254 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.870 -5.704 15.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.712 -5.293 13.954 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.325 -5.415 14.697 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.545 -7.899 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.083 -7.890 15.504 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.900 -9.191 15.229 1.00 0.00 H new ATOM 340 N GLY A 27 -7.212 -8.667 11.151 1.00 0.00 N ATOM 341 CA GLY A 27 -7.734 -9.223 9.934 1.00 0.00 C ATOM 342 C GLY A 27 -6.747 -10.118 9.245 1.00 0.00 C ATOM 343 O GLY A 27 -6.763 -10.250 8.023 1.00 0.00 O ATOM 0 H GLY A 27 -7.196 -9.303 11.949 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.640 -9.788 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.019 -8.414 9.261 1.00 0.00 H new ATOM 347 N PHE A 28 -5.882 -10.716 10.006 1.00 0.00 N ATOM 348 CA PHE A 28 -4.939 -11.660 9.480 1.00 0.00 C ATOM 349 C PHE A 28 -4.627 -12.668 10.557 1.00 0.00 C ATOM 350 O PHE A 28 -4.724 -12.357 11.755 1.00 0.00 O ATOM 351 CB PHE A 28 -3.636 -10.984 8.942 1.00 0.00 C ATOM 352 CG PHE A 28 -2.733 -10.353 9.986 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.903 -9.039 10.376 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.698 -11.082 10.557 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.065 -8.464 11.313 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.866 -10.514 11.495 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.050 -9.202 11.871 1.00 0.00 C ATOM 0 H PHE A 28 -5.808 -10.564 11.012 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.387 -12.154 8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.060 -11.733 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.920 -10.215 8.223 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.701 -8.453 9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.544 -12.109 10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.208 -7.435 11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.070 -11.096 11.935 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.396 -8.754 12.604 1.00 0.00 H new ATOM 367 N SER A 29 -4.301 -13.842 10.152 1.00 0.00 N ATOM 368 CA SER A 29 -3.972 -14.901 11.057 1.00 0.00 C ATOM 369 C SER A 29 -2.474 -15.088 11.039 1.00 0.00 C ATOM 370 O SER A 29 -1.883 -15.269 9.959 1.00 0.00 O ATOM 371 CB SER A 29 -4.673 -16.171 10.601 1.00 0.00 C ATOM 372 OG SER A 29 -6.069 -15.937 10.464 1.00 0.00 O ATOM 0 H SER A 29 -4.252 -14.106 9.168 1.00 0.00 H new ATOM 0 HA SER A 29 -4.296 -14.666 12.071 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.257 -16.504 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.499 -16.970 11.322 1.00 0.00 H new ATOM 0 HG SER A 29 -6.511 -16.760 10.168 1.00 0.00 H new ATOM 378 N VAL A 30 -1.850 -15.016 12.179 1.00 0.00 N ATOM 379 CA VAL A 30 -0.428 -15.139 12.236 1.00 0.00 C ATOM 380 C VAL A 30 -0.070 -16.423 12.987 1.00 0.00 C ATOM 381 O VAL A 30 -0.766 -16.818 13.939 1.00 0.00 O ATOM 382 CB VAL A 30 0.226 -13.872 12.925 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.417 -14.016 14.430 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.513 -13.472 12.252 1.00 0.00 C ATOM 0 H VAL A 30 -2.306 -14.873 13.080 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.030 -15.193 11.223 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.498 -13.068 12.790 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.870 -13.108 14.828 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.550 -14.178 14.906 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.068 -14.866 14.634 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.930 -12.599 12.754 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.224 -14.296 12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.317 -13.231 11.207 1.00 0.00 H new ATOM 394 N GLN A 31 0.944 -17.098 12.538 1.00 0.00 N ATOM 395 CA GLN A 31 1.439 -18.245 13.225 1.00 0.00 C ATOM 396 C GLN A 31 2.879 -18.031 13.650 1.00 0.00 C ATOM 397 O GLN A 31 3.788 -17.982 12.836 1.00 0.00 O ATOM 398 CB GLN A 31 1.145 -19.591 12.476 1.00 0.00 C ATOM 399 CG GLN A 31 1.557 -19.703 10.996 1.00 0.00 C ATOM 400 CD GLN A 31 3.032 -19.973 10.756 1.00 0.00 C ATOM 401 OE1 GLN A 31 3.710 -20.596 11.575 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.521 -19.579 9.616 1.00 0.00 N ATOM 0 H GLN A 31 1.450 -16.866 11.683 1.00 0.00 H new ATOM 0 HA GLN A 31 0.874 -18.364 14.150 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.643 -20.392 13.022 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.073 -19.780 12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.977 -20.502 10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.286 -18.777 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.934 -19.065 8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.492 -19.784 9.379 1.00 0.00 H new ATOM 411 N ASN A 32 3.036 -17.726 14.944 1.00 0.00 N ATOM 412 CA ASN A 32 4.349 -17.509 15.599 1.00 0.00 C ATOM 413 C ASN A 32 5.121 -16.346 14.989 1.00 0.00 C ATOM 414 O ASN A 32 6.343 -16.245 15.127 1.00 0.00 O ATOM 415 CB ASN A 32 5.189 -18.797 15.601 1.00 0.00 C ATOM 416 CG ASN A 32 4.601 -19.874 16.491 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.991 -19.583 17.522 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.735 -21.103 16.095 1.00 0.00 N ATOM 0 H ASN A 32 2.248 -17.620 15.582 1.00 0.00 H new ATOM 0 HA ASN A 32 4.142 -17.238 16.634 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.269 -19.176 14.582 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.200 -18.566 15.935 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.329 -21.862 16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.246 -21.309 15.237 1.00 0.00 H new ATOM 425 N GLY A 33 4.395 -15.449 14.361 1.00 0.00 N ATOM 426 CA GLY A 33 5.005 -14.294 13.762 1.00 0.00 C ATOM 427 C GLY A 33 4.870 -14.286 12.261 1.00 0.00 C ATOM 428 O GLY A 33 5.129 -13.276 11.623 1.00 0.00 O ATOM 0 H GLY A 33 3.382 -15.501 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.548 -13.392 14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.061 -14.265 14.029 1.00 0.00 H new ATOM 432 N ILE A 34 4.438 -15.393 11.686 1.00 0.00 N ATOM 433 CA ILE A 34 4.315 -15.474 10.236 1.00 0.00 C ATOM 434 C ILE A 34 2.859 -15.501 9.821 1.00 0.00 C ATOM 435 O ILE A 34 2.105 -16.364 10.241 1.00 0.00 O ATOM 436 CB ILE A 34 5.069 -16.689 9.574 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.585 -16.686 9.854 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.865 -16.644 8.069 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.001 -17.047 11.261 1.00 0.00 C ATOM 0 H ILE A 34 4.169 -16.239 12.189 1.00 0.00 H new ATOM 0 HA ILE A 34 4.805 -14.573 9.867 1.00 0.00 H new ATOM 0 HB ILE A 34 4.651 -17.595 10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.063 -17.383 9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.974 -15.694 9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.385 -17.483 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.800 -16.708 7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.263 -15.709 7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.088 -17.012 11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.563 -16.338 11.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.653 -18.053 11.497 1.00 0.00 H new ATOM 451 N ILE A 35 2.480 -14.514 9.057 1.00 0.00 N ATOM 452 CA ILE A 35 1.141 -14.370 8.514 1.00 0.00 C ATOM 453 C ILE A 35 0.769 -15.574 7.643 1.00 0.00 C ATOM 454 O ILE A 35 1.342 -15.775 6.561 1.00 0.00 O ATOM 455 CB ILE A 35 1.076 -13.085 7.683 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.422 -11.905 8.597 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.321 -12.912 7.054 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.827 -10.664 7.868 1.00 0.00 C ATOM 0 H ILE A 35 3.108 -13.759 8.781 1.00 0.00 H new ATOM 0 HA ILE A 35 0.429 -14.318 9.338 1.00 0.00 H new ATOM 0 HB ILE A 35 1.792 -13.134 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.559 -11.680 9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.231 -12.202 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.345 -11.993 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.536 -13.761 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.071 -12.859 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.055 -9.877 8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.710 -10.869 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.012 -10.339 7.222 1.00 0.00 H new ATOM 470 N CYS A 36 -0.176 -16.349 8.121 1.00 0.00 N ATOM 471 CA CYS A 36 -0.613 -17.548 7.453 1.00 0.00 C ATOM 472 C CYS A 36 -1.745 -17.240 6.489 1.00 0.00 C ATOM 473 O CYS A 36 -1.799 -17.787 5.391 1.00 0.00 O ATOM 474 CB CYS A 36 -1.066 -18.588 8.491 1.00 0.00 C ATOM 475 SG CYS A 36 -1.685 -20.157 7.815 1.00 0.00 S ATOM 0 H CYS A 36 -0.667 -16.161 8.995 1.00 0.00 H new ATOM 0 HA CYS A 36 0.222 -17.955 6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.227 -18.804 9.152 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.849 -18.144 9.105 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.031 -20.943 8.791 1.00 0.00 H new ATOM 481 N SER A 37 -2.628 -16.348 6.883 1.00 0.00 N ATOM 482 CA SER A 37 -3.772 -16.031 6.081 1.00 0.00 C ATOM 483 C SER A 37 -4.155 -14.576 6.304 1.00 0.00 C ATOM 484 O SER A 37 -3.900 -14.025 7.382 1.00 0.00 O ATOM 485 CB SER A 37 -4.942 -16.970 6.451 1.00 0.00 C ATOM 486 OG SER A 37 -6.075 -16.803 5.587 1.00 0.00 O ATOM 0 H SER A 37 -2.568 -15.831 7.760 1.00 0.00 H new ATOM 0 HA SER A 37 -3.537 -16.173 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.602 -18.005 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.244 -16.781 7.481 1.00 0.00 H new ATOM 0 HG SER A 37 -6.787 -17.418 5.859 1.00 0.00 H new ATOM 492 N LEU A 38 -4.731 -13.975 5.297 1.00 0.00 N ATOM 493 CA LEU A 38 -5.176 -12.611 5.347 1.00 0.00 C ATOM 494 C LEU A 38 -6.656 -12.568 5.035 1.00 0.00 C ATOM 495 O LEU A 38 -7.127 -13.283 4.144 1.00 0.00 O ATOM 496 CB LEU A 38 -4.387 -11.763 4.337 1.00 0.00 C ATOM 497 CG LEU A 38 -4.797 -10.290 4.204 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.684 -9.585 5.522 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.936 -9.592 3.194 1.00 0.00 C ATOM 0 H LEU A 38 -4.907 -14.431 4.402 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.005 -12.201 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.333 -11.799 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.477 -12.231 3.357 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.835 -10.263 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.980 -8.543 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.337 -10.067 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.653 -9.632 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.242 -8.549 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.894 -9.641 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.046 -10.078 2.224 1.00 0.00 H new ATOM 511 N MET A 39 -7.390 -11.775 5.774 1.00 0.00 N ATOM 512 CA MET A 39 -8.805 -11.638 5.553 1.00 0.00 C ATOM 513 C MET A 39 -9.028 -10.574 4.493 1.00 0.00 C ATOM 514 O MET A 39 -8.608 -9.415 4.653 1.00 0.00 O ATOM 515 CB MET A 39 -9.531 -11.278 6.854 1.00 0.00 C ATOM 516 CG MET A 39 -11.047 -11.312 6.747 1.00 0.00 C ATOM 517 SD MET A 39 -11.672 -12.955 6.309 1.00 0.00 S ATOM 518 CE MET A 39 -11.123 -13.939 7.710 1.00 0.00 C ATOM 0 H MET A 39 -7.025 -11.210 6.541 1.00 0.00 H new ATOM 0 HA MET A 39 -9.215 -12.588 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.217 -11.969 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.222 -10.281 7.167 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.483 -11.002 7.697 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.372 -10.591 5.997 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.678 -14.877 7.735 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.058 -14.150 7.612 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.300 -13.388 8.634 1.00 0.00 H new ATOM 528 N ARG A 40 -9.652 -10.975 3.414 1.00 0.00 N ATOM 529 CA ARG A 40 -9.894 -10.118 2.273 1.00 0.00 C ATOM 530 C ARG A 40 -10.823 -8.995 2.679 1.00 0.00 C ATOM 531 O ARG A 40 -11.874 -9.233 3.284 1.00 0.00 O ATOM 532 CB ARG A 40 -10.553 -10.926 1.157 1.00 0.00 C ATOM 533 CG ARG A 40 -10.182 -10.525 -0.267 1.00 0.00 C ATOM 534 CD ARG A 40 -10.524 -9.102 -0.637 1.00 0.00 C ATOM 535 NE ARG A 40 -11.944 -8.767 -0.501 1.00 0.00 N ATOM 536 CZ ARG A 40 -12.774 -8.550 -1.522 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.485 -8.994 -2.747 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.917 -7.950 -1.296 1.00 0.00 N ATOM 0 H ARG A 40 -10.014 -11.922 3.299 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.947 -9.709 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.297 -11.976 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.634 -10.844 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.111 -10.673 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.687 -11.197 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.942 -8.426 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.218 -8.924 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.325 -8.695 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.619 -9.507 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.130 -8.820 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.161 -7.656 -0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.563 -7.777 -2.066 1.00 0.00 H new ATOM 552 N GLY A 41 -10.432 -7.794 2.370 1.00 0.00 N ATOM 553 CA GLY A 41 -11.246 -6.660 2.637 1.00 0.00 C ATOM 554 C GLY A 41 -11.047 -6.090 4.025 1.00 0.00 C ATOM 555 O GLY A 41 -11.614 -5.055 4.359 1.00 0.00 O ATOM 0 H GLY A 41 -9.539 -7.580 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.031 -5.886 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.293 -6.936 2.512 1.00 0.00 H new ATOM 559 N GLY A 42 -10.213 -6.734 4.819 1.00 0.00 N ATOM 560 CA GLY A 42 -10.021 -6.300 6.183 1.00 0.00 C ATOM 561 C GLY A 42 -8.980 -5.213 6.287 1.00 0.00 C ATOM 562 O GLY A 42 -8.298 -4.903 5.294 1.00 0.00 O ATOM 0 H GLY A 42 -9.665 -7.549 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.967 -5.936 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.720 -7.150 6.795 1.00 0.00 H new ATOM 566 N ILE A 43 -8.822 -4.650 7.483 1.00 0.00 N ATOM 567 CA ILE A 43 -7.836 -3.595 7.715 1.00 0.00 C ATOM 568 C ILE A 43 -6.438 -4.040 7.404 1.00 0.00 C ATOM 569 O ILE A 43 -5.648 -3.257 6.925 1.00 0.00 O ATOM 570 CB ILE A 43 -7.881 -2.954 9.137 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.194 -3.967 10.240 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.808 -1.777 9.190 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.155 -3.374 11.644 1.00 0.00 C ATOM 0 H ILE A 43 -9.364 -4.907 8.308 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.131 -2.814 7.014 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.873 -2.589 9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.182 -4.392 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.479 -4.788 10.181 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.810 -1.360 10.197 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.472 -1.018 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.817 -2.096 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.387 -4.150 12.373 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.161 -2.975 11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.890 -2.573 11.721 1.00 0.00 H new ATOM 585 N ALA A 44 -6.139 -5.294 7.661 1.00 0.00 N ATOM 586 CA ALA A 44 -4.834 -5.840 7.386 1.00 0.00 C ATOM 587 C ALA A 44 -4.503 -5.759 5.903 1.00 0.00 C ATOM 588 O ALA A 44 -3.383 -5.406 5.526 1.00 0.00 O ATOM 589 CB ALA A 44 -4.764 -7.254 7.889 1.00 0.00 C ATOM 0 H ALA A 44 -6.795 -5.962 8.066 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.085 -5.246 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.777 -7.666 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.943 -7.267 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.522 -7.856 7.388 1.00 0.00 H new ATOM 595 N GLU A 45 -5.493 -6.009 5.076 1.00 0.00 N ATOM 596 CA GLU A 45 -5.323 -5.968 3.644 1.00 0.00 C ATOM 597 C GLU A 45 -5.039 -4.539 3.198 1.00 0.00 C ATOM 598 O GLU A 45 -4.159 -4.293 2.373 1.00 0.00 O ATOM 599 CB GLU A 45 -6.563 -6.522 2.954 1.00 0.00 C ATOM 600 CG GLU A 45 -6.473 -6.541 1.449 1.00 0.00 C ATOM 601 CD GLU A 45 -7.706 -7.096 0.827 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.685 -6.351 0.660 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.733 -8.293 0.504 1.00 0.00 O ATOM 0 H GLU A 45 -6.438 -6.246 5.379 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.473 -6.590 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.741 -7.537 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.427 -5.925 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.306 -5.528 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.613 -7.137 1.144 1.00 0.00 H new ATOM 610 N ARG A 46 -5.748 -3.585 3.785 1.00 0.00 N ATOM 611 CA ARG A 46 -5.502 -2.180 3.453 1.00 0.00 C ATOM 612 C ARG A 46 -4.269 -1.640 4.160 1.00 0.00 C ATOM 613 O ARG A 46 -3.723 -0.605 3.791 1.00 0.00 O ATOM 614 CB ARG A 46 -6.711 -1.261 3.663 1.00 0.00 C ATOM 615 CG ARG A 46 -7.234 -1.121 5.060 1.00 0.00 C ATOM 616 CD ARG A 46 -8.190 0.068 5.122 1.00 0.00 C ATOM 617 NE ARG A 46 -8.999 0.135 6.360 1.00 0.00 N ATOM 618 CZ ARG A 46 -9.165 1.237 7.132 1.00 0.00 C ATOM 619 NH1 ARG A 46 -8.338 2.285 7.012 1.00 0.00 N ATOM 620 NH2 ARG A 46 -10.134 1.261 8.058 1.00 0.00 N ATOM 0 H ARG A 46 -6.481 -3.746 4.476 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.313 -2.174 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.446 -0.268 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.524 -1.624 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.749 -2.033 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.409 -0.976 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.613 0.988 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.862 0.024 4.265 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.471 -0.719 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.575 2.258 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.471 3.110 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.743 0.452 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.262 2.088 8.641 1.00 0.00 H new ATOM 634 N GLY A 47 -3.837 -2.358 5.165 1.00 0.00 N ATOM 635 CA GLY A 47 -2.668 -1.997 5.911 1.00 0.00 C ATOM 636 C GLY A 47 -1.406 -2.399 5.197 1.00 0.00 C ATOM 637 O GLY A 47 -0.332 -1.820 5.416 1.00 0.00 O ATOM 0 H GLY A 47 -4.291 -3.213 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.663 -0.920 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.700 -2.474 6.891 1.00 0.00 H new ATOM 641 N GLY A 48 -1.530 -3.366 4.321 1.00 0.00 N ATOM 642 CA GLY A 48 -0.391 -3.829 3.567 1.00 0.00 C ATOM 643 C GLY A 48 0.129 -5.165 4.045 1.00 0.00 C ATOM 644 O GLY A 48 1.254 -5.561 3.706 1.00 0.00 O ATOM 0 H GLY A 48 -2.405 -3.846 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.666 -3.907 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.407 -3.090 3.634 1.00 0.00 H new ATOM 648 N VAL A 49 -0.669 -5.854 4.833 1.00 0.00 N ATOM 649 CA VAL A 49 -0.317 -7.164 5.342 1.00 0.00 C ATOM 650 C VAL A 49 -0.353 -8.163 4.191 1.00 0.00 C ATOM 651 O VAL A 49 -1.232 -8.089 3.342 1.00 0.00 O ATOM 652 CB VAL A 49 -1.316 -7.602 6.455 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.093 -9.024 6.900 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.215 -6.688 7.652 1.00 0.00 C ATOM 0 H VAL A 49 -1.583 -5.521 5.140 1.00 0.00 H new ATOM 0 HA VAL A 49 0.683 -7.129 5.774 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.313 -7.535 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.814 -9.280 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.220 -9.695 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.083 -9.127 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.921 -7.011 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.202 -6.725 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.449 -5.667 7.351 1.00 0.00 H new ATOM 664 N ARG A 50 0.620 -9.053 4.142 1.00 0.00 N ATOM 665 CA ARG A 50 0.696 -10.070 3.106 1.00 0.00 C ATOM 666 C ARG A 50 1.033 -11.372 3.739 1.00 0.00 C ATOM 667 O ARG A 50 1.724 -11.421 4.752 1.00 0.00 O ATOM 668 CB ARG A 50 1.746 -9.738 2.039 1.00 0.00 C ATOM 669 CG ARG A 50 1.520 -8.431 1.314 1.00 0.00 C ATOM 670 CD ARG A 50 0.204 -8.393 0.558 1.00 0.00 C ATOM 671 NE ARG A 50 0.120 -9.384 -0.506 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.983 -9.648 -1.215 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.120 -8.999 -0.958 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.944 -10.567 -2.174 1.00 0.00 N ATOM 0 H ARG A 50 1.382 -9.093 4.819 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.272 -10.115 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.728 -9.710 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.767 -10.545 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.543 -7.613 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.339 -8.263 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.614 -8.554 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.067 -7.400 0.131 1.00 0.00 H new ATOM 0 HE ARG A 50 0.963 -9.915 -0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.151 -8.298 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.958 -9.204 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.076 -11.067 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.782 -10.772 -2.718 1.00 0.00 H new ATOM 688 N VAL A 51 0.588 -12.394 3.125 1.00 0.00 N ATOM 689 CA VAL A 51 0.738 -13.747 3.602 1.00 0.00 C ATOM 690 C VAL A 51 2.142 -14.265 3.282 1.00 0.00 C ATOM 691 O VAL A 51 2.728 -13.878 2.270 1.00 0.00 O ATOM 692 CB VAL A 51 -0.361 -14.616 2.953 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.130 -16.108 3.131 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.717 -14.242 3.514 1.00 0.00 C ATOM 0 H VAL A 51 0.086 -12.331 2.239 1.00 0.00 H new ATOM 0 HA VAL A 51 0.623 -13.788 4.685 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.324 -14.414 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.938 -16.661 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.820 -16.386 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.107 -16.348 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.486 -14.860 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.722 -14.404 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.920 -13.192 3.304 1.00 0.00 H new ATOM 704 N GLY A 52 2.690 -15.093 4.171 1.00 0.00 N ATOM 705 CA GLY A 52 4.028 -15.608 3.975 1.00 0.00 C ATOM 706 C GLY A 52 5.039 -14.602 4.443 1.00 0.00 C ATOM 707 O GLY A 52 6.189 -14.578 4.007 1.00 0.00 O ATOM 0 H GLY A 52 2.228 -15.414 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.151 -16.542 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.189 -15.834 2.921 1.00 0.00 H new ATOM 711 N HIS A 53 4.591 -13.746 5.321 1.00 0.00 N ATOM 712 CA HIS A 53 5.396 -12.694 5.858 1.00 0.00 C ATOM 713 C HIS A 53 5.591 -12.858 7.332 1.00 0.00 C ATOM 714 O HIS A 53 4.642 -13.117 8.060 1.00 0.00 O ATOM 715 CB HIS A 53 4.776 -11.319 5.573 1.00 0.00 C ATOM 716 CG HIS A 53 5.106 -10.729 4.238 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.359 -9.378 4.056 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.214 -11.292 3.014 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.608 -9.152 2.788 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.528 -10.289 2.134 1.00 0.00 N ATOM 0 H HIS A 53 3.639 -13.764 5.687 1.00 0.00 H new ATOM 0 HA HIS A 53 6.367 -12.752 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.692 -11.404 5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.101 -10.625 6.348 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.353 -8.672 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.078 -12.336 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.840 -8.191 2.354 1.00 0.00 H new ATOM 729 N ARG A 54 6.814 -12.698 7.768 1.00 0.00 N ATOM 730 CA ARG A 54 7.126 -12.754 9.169 1.00 0.00 C ATOM 731 C ARG A 54 7.183 -11.348 9.666 1.00 0.00 C ATOM 732 O ARG A 54 7.885 -10.510 9.080 1.00 0.00 O ATOM 733 CB ARG A 54 8.472 -13.458 9.455 1.00 0.00 C ATOM 734 CG ARG A 54 8.828 -13.476 10.947 1.00 0.00 C ATOM 735 CD ARG A 54 10.151 -14.174 11.252 1.00 0.00 C ATOM 736 NE ARG A 54 10.148 -15.626 10.948 1.00 0.00 N ATOM 737 CZ ARG A 54 10.554 -16.594 11.810 1.00 0.00 C ATOM 738 NH1 ARG A 54 10.755 -16.320 13.092 1.00 0.00 N ATOM 739 NH2 ARG A 54 10.661 -17.841 11.385 1.00 0.00 N ATOM 0 H ARG A 54 7.617 -12.526 7.163 1.00 0.00 H new ATOM 0 HA ARG A 54 6.358 -13.338 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.427 -14.482 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.265 -12.954 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.875 -12.450 11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.029 -13.974 11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.944 -13.694 10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.390 -14.034 12.306 1.00 0.00 H new ATOM 0 HE ARG A 54 9.818 -15.918 10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.605 -15.373 13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.060 -17.056 13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.439 -18.070 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.965 -18.574 12.026 1.00 0.00 H new ATOM 753 N ILE A 55 6.432 -11.070 10.672 1.00 0.00 N ATOM 754 CA ILE A 55 6.435 -9.768 11.275 1.00 0.00 C ATOM 755 C ILE A 55 7.645 -9.638 12.153 1.00 0.00 C ATOM 756 O ILE A 55 7.906 -10.490 12.997 1.00 0.00 O ATOM 757 CB ILE A 55 5.182 -9.517 12.118 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.935 -9.764 11.285 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.187 -8.087 12.674 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.687 -9.459 12.023 1.00 0.00 C ATOM 0 H ILE A 55 5.793 -11.735 11.108 1.00 0.00 H new ATOM 0 HA ILE A 55 6.451 -9.031 10.472 1.00 0.00 H new ATOM 0 HB ILE A 55 5.181 -10.209 12.960 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.978 -9.153 10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.918 -10.805 10.964 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.289 -7.926 13.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.069 -7.942 13.298 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.207 -7.376 11.848 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.828 -9.653 11.381 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.626 -10.089 12.911 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.688 -8.411 12.321 1.00 0.00 H new ATOM 772 N ILE A 56 8.397 -8.606 11.936 1.00 0.00 N ATOM 773 CA ILE A 56 9.567 -8.393 12.695 1.00 0.00 C ATOM 774 C ILE A 56 9.426 -7.277 13.681 1.00 0.00 C ATOM 775 O ILE A 56 10.199 -7.199 14.624 1.00 0.00 O ATOM 776 CB ILE A 56 10.821 -8.190 11.844 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.756 -6.888 11.088 1.00 0.00 C ATOM 778 CG2 ILE A 56 10.980 -9.351 10.876 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.006 -6.596 10.351 1.00 0.00 C ATOM 0 H ILE A 56 8.210 -7.895 11.228 1.00 0.00 H new ATOM 0 HA ILE A 56 9.699 -9.322 13.250 1.00 0.00 H new ATOM 0 HB ILE A 56 11.685 -8.153 12.507 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.923 -6.921 10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.552 -6.076 11.786 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.875 -9.201 10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.072 -10.282 11.436 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.108 -9.404 10.225 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.905 -5.647 9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.837 -6.534 11.054 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.198 -7.392 9.631 1.00 0.00 H new ATOM 791 N GLU A 57 8.415 -6.456 13.521 1.00 0.00 N ATOM 792 CA GLU A 57 8.306 -5.279 14.359 1.00 0.00 C ATOM 793 C GLU A 57 6.889 -4.855 14.429 1.00 0.00 C ATOM 794 O GLU A 57 6.154 -5.042 13.472 1.00 0.00 O ATOM 795 CB GLU A 57 9.163 -4.135 13.798 1.00 0.00 C ATOM 796 CG GLU A 57 9.174 -2.877 14.644 1.00 0.00 C ATOM 797 CD GLU A 57 9.849 -1.724 13.957 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.091 -1.627 14.007 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.141 -0.900 13.359 1.00 0.00 O ATOM 0 H GLU A 57 7.670 -6.574 12.835 1.00 0.00 H new ATOM 0 HA GLU A 57 8.667 -5.523 15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.188 -4.489 13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.801 -3.883 12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.149 -2.599 14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.682 -3.082 15.586 1.00 0.00 H new ATOM 806 N ILE A 58 6.511 -4.338 15.569 1.00 0.00 N ATOM 807 CA ILE A 58 5.197 -3.826 15.825 1.00 0.00 C ATOM 808 C ILE A 58 5.349 -2.586 16.700 1.00 0.00 C ATOM 809 O ILE A 58 6.016 -2.639 17.726 1.00 0.00 O ATOM 810 CB ILE A 58 4.324 -4.858 16.581 1.00 0.00 C ATOM 811 CG1 ILE A 58 4.167 -6.145 15.772 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.948 -4.265 16.879 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.638 -7.299 16.575 1.00 0.00 C ATOM 0 H ILE A 58 7.136 -4.261 16.372 1.00 0.00 H new ATOM 0 HA ILE A 58 4.711 -3.600 14.876 1.00 0.00 H new ATOM 0 HB ILE A 58 4.825 -5.100 17.518 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.495 -5.958 14.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.134 -6.419 15.350 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.343 -4.999 17.411 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.062 -3.374 17.496 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.456 -3.999 15.943 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.553 -8.178 15.936 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.320 -7.513 17.398 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.656 -7.044 16.975 1.00 0.00 H new ATOM 825 N ASN A 59 4.786 -1.485 16.251 1.00 0.00 N ATOM 826 CA ASN A 59 4.780 -0.182 16.953 1.00 0.00 C ATOM 827 C ASN A 59 6.143 0.330 17.419 1.00 0.00 C ATOM 828 O ASN A 59 6.220 1.161 18.335 1.00 0.00 O ATOM 829 CB ASN A 59 3.751 -0.158 18.083 1.00 0.00 C ATOM 830 CG ASN A 59 2.356 -0.034 17.539 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.148 0.567 16.475 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.398 -0.580 18.224 1.00 0.00 N ATOM 0 H ASN A 59 4.297 -1.452 15.356 1.00 0.00 H new ATOM 0 HA ASN A 59 4.480 0.532 16.185 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.835 -1.069 18.675 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.960 0.677 18.752 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.436 -0.522 17.891 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.608 -1.067 19.096 1.00 0.00 H new ATOM 839 N GLY A 60 7.199 -0.111 16.768 1.00 0.00 N ATOM 840 CA GLY A 60 8.515 0.377 17.102 1.00 0.00 C ATOM 841 C GLY A 60 9.368 -0.641 17.821 1.00 0.00 C ATOM 842 O GLY A 60 10.538 -0.386 18.092 1.00 0.00 O ATOM 0 H GLY A 60 7.171 -0.798 16.014 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.023 0.685 16.188 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.417 1.265 17.727 1.00 0.00 H new ATOM 846 N GLN A 61 8.801 -1.776 18.156 1.00 0.00 N ATOM 847 CA GLN A 61 9.565 -2.814 18.816 1.00 0.00 C ATOM 848 C GLN A 61 9.672 -4.039 17.949 1.00 0.00 C ATOM 849 O GLN A 61 8.666 -4.509 17.396 1.00 0.00 O ATOM 850 CB GLN A 61 9.017 -3.161 20.214 1.00 0.00 C ATOM 851 CG GLN A 61 7.568 -3.610 20.237 1.00 0.00 C ATOM 852 CD GLN A 61 7.113 -4.088 21.596 1.00 0.00 C ATOM 853 OE1 GLN A 61 7.601 -3.636 22.646 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.191 -5.009 21.603 1.00 0.00 N ATOM 0 H GLN A 61 7.822 -2.005 17.985 1.00 0.00 H new ATOM 0 HA GLN A 61 10.568 -2.416 18.970 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.634 -3.950 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.122 -2.287 20.857 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.933 -2.783 19.919 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.432 -4.413 19.513 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.812 -5.358 20.723 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.848 -5.381 22.489 1.00 0.00 H new ATOM 863 N SER A 62 10.884 -4.515 17.781 1.00 0.00 N ATOM 864 CA SER A 62 11.136 -5.711 17.033 1.00 0.00 C ATOM 865 C SER A 62 10.618 -6.899 17.826 1.00 0.00 C ATOM 866 O SER A 62 11.189 -7.275 18.852 1.00 0.00 O ATOM 867 CB SER A 62 12.637 -5.845 16.741 1.00 0.00 C ATOM 868 OG SER A 62 13.110 -4.663 16.117 1.00 0.00 O ATOM 0 H SER A 62 11.722 -4.077 18.163 1.00 0.00 H new ATOM 0 HA SER A 62 10.618 -5.672 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.183 -6.022 17.668 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.816 -6.705 16.096 1.00 0.00 H new ATOM 0 HG SER A 62 14.069 -4.751 15.934 1.00 0.00 H new ATOM 874 N VAL A 63 9.538 -7.476 17.354 1.00 0.00 N ATOM 875 CA VAL A 63 8.858 -8.535 18.035 1.00 0.00 C ATOM 876 C VAL A 63 9.229 -9.852 17.415 1.00 0.00 C ATOM 877 O VAL A 63 8.652 -10.885 17.710 1.00 0.00 O ATOM 878 CB VAL A 63 7.345 -8.319 17.941 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.978 -6.974 18.576 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.904 -8.374 16.480 1.00 0.00 C ATOM 0 H VAL A 63 9.105 -7.212 16.469 1.00 0.00 H new ATOM 0 HA VAL A 63 9.152 -8.540 19.085 1.00 0.00 H new ATOM 0 HB VAL A 63 6.826 -9.110 18.483 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.901 -6.822 18.508 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.280 -6.972 19.623 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.492 -6.170 18.049 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.827 -8.220 16.419 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.415 -7.593 15.916 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.155 -9.348 16.061 1.00 0.00 H new ATOM 890 N VAL A 64 10.247 -9.799 16.607 1.00 0.00 N ATOM 891 CA VAL A 64 10.724 -10.934 15.867 1.00 0.00 C ATOM 892 C VAL A 64 11.315 -12.013 16.801 1.00 0.00 C ATOM 893 O VAL A 64 11.491 -13.162 16.412 1.00 0.00 O ATOM 894 CB VAL A 64 11.750 -10.479 14.810 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.120 -10.189 15.392 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.790 -11.423 13.645 1.00 0.00 C ATOM 0 H VAL A 64 10.782 -8.947 16.439 1.00 0.00 H new ATOM 0 HA VAL A 64 9.878 -11.391 15.354 1.00 0.00 H new ATOM 0 HB VAL A 64 11.404 -9.519 14.427 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.794 -9.874 14.596 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.039 -9.395 16.135 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.513 -11.089 15.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.523 -11.073 12.918 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.069 -12.418 13.992 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.807 -11.465 13.177 1.00 0.00 H new ATOM 906 N ALA A 65 11.601 -11.630 18.024 1.00 0.00 N ATOM 907 CA ALA A 65 12.107 -12.547 19.014 1.00 0.00 C ATOM 908 C ALA A 65 11.173 -12.563 20.221 1.00 0.00 C ATOM 909 O ALA A 65 11.469 -13.163 21.253 1.00 0.00 O ATOM 910 CB ALA A 65 13.510 -12.137 19.415 1.00 0.00 C ATOM 0 H ALA A 65 11.489 -10.673 18.359 1.00 0.00 H new ATOM 0 HA ALA A 65 12.149 -13.554 18.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.892 -12.831 20.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.159 -12.155 18.539 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.490 -11.130 19.831 1.00 0.00 H new ATOM 916 N THR A 66 10.030 -11.940 20.062 1.00 0.00 N ATOM 917 CA THR A 66 9.055 -11.801 21.088 1.00 0.00 C ATOM 918 C THR A 66 8.156 -13.054 21.107 1.00 0.00 C ATOM 919 O THR A 66 7.898 -13.643 20.055 1.00 0.00 O ATOM 920 CB THR A 66 8.262 -10.498 20.799 1.00 0.00 C ATOM 921 OG1 THR A 66 9.152 -9.379 20.931 1.00 0.00 O ATOM 922 CG2 THR A 66 7.079 -10.291 21.703 1.00 0.00 C ATOM 0 H THR A 66 9.755 -11.505 19.181 1.00 0.00 H new ATOM 0 HA THR A 66 9.506 -11.723 22.077 1.00 0.00 H new ATOM 0 HB THR A 66 7.867 -10.587 19.787 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.647 -8.592 21.225 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.577 -9.360 21.438 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.384 -11.123 21.589 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.417 -10.240 22.738 1.00 0.00 H new ATOM 930 N PRO A 67 7.761 -13.534 22.303 1.00 0.00 N ATOM 931 CA PRO A 67 6.897 -14.705 22.436 1.00 0.00 C ATOM 932 C PRO A 67 5.569 -14.541 21.709 1.00 0.00 C ATOM 933 O PRO A 67 5.028 -13.430 21.626 1.00 0.00 O ATOM 934 CB PRO A 67 6.639 -14.802 23.937 1.00 0.00 C ATOM 935 CG PRO A 67 7.776 -14.093 24.565 1.00 0.00 C ATOM 936 CD PRO A 67 8.157 -13.000 23.621 1.00 0.00 C ATOM 0 HA PRO A 67 7.367 -15.588 22.002 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.689 -14.340 24.205 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.592 -15.841 24.264 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.493 -13.688 25.537 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.613 -14.771 24.734 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.636 -12.070 23.851 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.225 -12.786 23.664 1.00 0.00 H new ATOM 944 N HIS A 68 5.068 -15.658 21.210 1.00 0.00 N ATOM 945 CA HIS A 68 3.789 -15.795 20.505 1.00 0.00 C ATOM 946 C HIS A 68 2.687 -15.004 21.204 1.00 0.00 C ATOM 947 O HIS A 68 2.037 -14.169 20.580 1.00 0.00 O ATOM 948 CB HIS A 68 3.454 -17.320 20.454 1.00 0.00 C ATOM 949 CG HIS A 68 2.091 -17.740 19.934 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.927 -18.727 19.003 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.838 -17.390 20.316 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.645 -18.967 18.840 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.034 -18.165 19.624 1.00 0.00 N ATOM 0 H HIS A 68 5.564 -16.546 21.286 1.00 0.00 H new ATOM 0 HA HIS A 68 3.861 -15.389 19.496 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.210 -17.806 19.837 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.562 -17.718 21.463 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.683 -19.204 18.511 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.581 -16.631 21.040 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.222 -19.702 18.172 1.00 0.00 H new ATOM 962 N GLU A 69 2.487 -15.274 22.489 1.00 0.00 N ATOM 963 CA GLU A 69 1.448 -14.612 23.257 1.00 0.00 C ATOM 964 C GLU A 69 1.642 -13.128 23.247 1.00 0.00 C ATOM 965 O GLU A 69 0.697 -12.390 23.043 1.00 0.00 O ATOM 966 CB GLU A 69 1.443 -15.054 24.695 1.00 0.00 C ATOM 967 CG GLU A 69 0.276 -14.467 25.480 1.00 0.00 C ATOM 968 CD GLU A 69 0.323 -14.758 26.946 1.00 0.00 C ATOM 969 OE1 GLU A 69 0.917 -13.954 27.684 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.266 -15.754 27.398 1.00 0.00 O ATOM 0 H GLU A 69 3.035 -15.951 23.020 1.00 0.00 H new ATOM 0 HA GLU A 69 0.503 -14.883 22.786 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.395 -16.142 24.737 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.380 -14.758 25.166 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.260 -13.387 25.335 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.656 -14.857 25.072 1.00 0.00 H new ATOM 977 N LYS A 70 2.881 -12.702 23.456 1.00 0.00 N ATOM 978 CA LYS A 70 3.195 -11.301 23.519 1.00 0.00 C ATOM 979 C LYS A 70 2.817 -10.630 22.232 1.00 0.00 C ATOM 980 O LYS A 70 2.002 -9.748 22.234 1.00 0.00 O ATOM 981 CB LYS A 70 4.676 -11.073 23.830 1.00 0.00 C ATOM 982 CG LYS A 70 5.012 -10.601 25.255 1.00 0.00 C ATOM 983 CD LYS A 70 4.865 -11.656 26.354 1.00 0.00 C ATOM 984 CE LYS A 70 3.425 -12.001 26.658 1.00 0.00 C ATOM 985 NZ LYS A 70 3.319 -12.882 27.833 1.00 0.00 N ATOM 0 H LYS A 70 3.682 -13.320 23.584 1.00 0.00 H new ATOM 0 HA LYS A 70 2.617 -10.861 24.331 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.211 -12.004 23.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.063 -10.336 23.126 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.038 -10.234 25.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.369 -9.756 25.499 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.393 -12.561 26.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.345 -11.294 27.263 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.860 -11.086 26.836 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.976 -12.490 25.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.325 -13.155 27.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.894 -13.735 27.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.663 -12.379 28.676 1.00 0.00 H new ATOM 999 N ILE A 71 3.328 -11.137 21.142 1.00 0.00 N ATOM 1000 CA ILE A 71 3.059 -10.611 19.800 1.00 0.00 C ATOM 1001 C ILE A 71 1.541 -10.447 19.565 1.00 0.00 C ATOM 1002 O ILE A 71 1.078 -9.398 19.094 1.00 0.00 O ATOM 1003 CB ILE A 71 3.649 -11.555 18.712 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.157 -11.731 18.905 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.373 -11.028 17.321 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.818 -12.640 17.886 1.00 0.00 C ATOM 0 H ILE A 71 3.956 -11.941 21.145 1.00 0.00 H new ATOM 0 HA ILE A 71 3.537 -9.634 19.727 1.00 0.00 H new ATOM 0 HB ILE A 71 3.160 -12.523 18.821 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.633 -10.751 18.863 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.339 -12.131 19.903 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.797 -11.709 16.583 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.297 -10.952 17.168 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.826 -10.043 17.209 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.885 -12.708 18.097 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.373 -13.633 17.942 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.672 -12.232 16.886 1.00 0.00 H new ATOM 1018 N VAL A 72 0.780 -11.443 19.980 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.661 -11.418 19.816 1.00 0.00 C ATOM 1020 C VAL A 72 -1.304 -10.413 20.785 1.00 0.00 C ATOM 1021 O VAL A 72 -2.247 -9.698 20.425 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.260 -12.844 20.011 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.783 -12.835 19.981 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.729 -13.772 18.932 1.00 0.00 C ATOM 0 H VAL A 72 1.138 -12.283 20.435 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.884 -11.093 18.800 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.954 -13.200 20.995 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.156 -13.850 20.121 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.159 -12.197 20.781 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.126 -12.452 19.020 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.149 -14.768 19.070 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.014 -13.391 17.951 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.358 -13.824 18.999 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.743 -10.319 21.975 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.255 -9.463 23.035 1.00 0.00 C ATOM 1036 C HIS A 73 -1.010 -7.999 22.675 1.00 0.00 C ATOM 1037 O HIS A 73 -1.872 -7.142 22.901 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.577 -9.823 24.375 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.213 -9.224 25.603 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -0.831 -8.025 26.147 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -2.179 -9.703 26.418 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.522 -7.795 27.236 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.343 -8.794 27.421 1.00 0.00 N ATOM 0 H HIS A 73 0.093 -10.841 22.239 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.328 -9.618 23.144 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.573 -10.908 24.481 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.464 -9.503 24.333 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.719 -10.631 26.298 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.429 -6.927 27.872 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.003 -8.880 28.194 1.00 0.00 H new ATOM 1052 N ILE A 74 0.163 -7.717 22.102 1.00 0.00 N ATOM 1053 CA ILE A 74 0.494 -6.392 21.644 1.00 0.00 C ATOM 1054 C ILE A 74 -0.481 -5.967 20.537 1.00 0.00 C ATOM 1055 O ILE A 74 -1.086 -4.895 20.620 1.00 0.00 O ATOM 1056 CB ILE A 74 2.001 -6.249 21.153 1.00 0.00 C ATOM 1057 CG1 ILE A 74 3.022 -6.120 22.311 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.169 -5.088 20.214 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.341 -7.376 23.072 1.00 0.00 C ATOM 0 H ILE A 74 0.898 -8.407 21.949 1.00 0.00 H new ATOM 0 HA ILE A 74 0.395 -5.726 22.501 1.00 0.00 H new ATOM 0 HB ILE A 74 2.215 -7.180 20.629 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.952 -5.724 21.902 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.644 -5.381 23.017 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.211 -5.022 19.900 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.535 -5.233 19.339 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.884 -4.166 20.721 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.066 -7.153 23.854 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.430 -7.769 23.523 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.758 -8.118 22.391 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.672 -6.835 19.543 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.570 -6.533 18.420 1.00 0.00 C ATOM 1073 C LEU A 75 -3.001 -6.334 18.873 1.00 0.00 C ATOM 1074 O LEU A 75 -3.646 -5.368 18.494 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.503 -7.612 17.342 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.198 -7.694 16.560 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.247 -8.852 15.576 1.00 0.00 C ATOM 1078 CD2 LEU A 75 0.060 -6.380 15.828 1.00 0.00 C ATOM 0 H LEU A 75 -0.221 -7.748 19.489 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.221 -5.594 17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.683 -8.579 17.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.317 -7.444 16.636 1.00 0.00 H new ATOM 0 HG LEU A 75 0.621 -7.868 17.258 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.691 -8.900 15.023 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.396 -9.785 16.119 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.071 -8.702 14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.995 -6.450 15.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.759 -6.182 15.136 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.128 -5.568 16.552 1.00 0.00 H new ATOM 1090 N SER A 76 -3.470 -7.225 19.710 1.00 0.00 N ATOM 1091 CA SER A 76 -4.824 -7.178 20.227 1.00 0.00 C ATOM 1092 C SER A 76 -5.082 -5.935 21.095 1.00 0.00 C ATOM 1093 O SER A 76 -6.202 -5.468 21.185 1.00 0.00 O ATOM 1094 CB SER A 76 -5.156 -8.466 20.975 1.00 0.00 C ATOM 1095 OG SER A 76 -4.946 -9.593 20.122 1.00 0.00 O ATOM 0 H SER A 76 -2.922 -8.012 20.058 1.00 0.00 H new ATOM 0 HA SER A 76 -5.495 -7.095 19.372 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.532 -8.551 21.865 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.192 -8.443 21.313 1.00 0.00 H new ATOM 0 HG SER A 76 -3.999 -9.845 20.140 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.049 -5.396 21.710 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.206 -4.208 22.558 1.00 0.00 C ATOM 1103 C ASN A 77 -4.009 -2.908 21.804 1.00 0.00 C ATOM 1104 O ASN A 77 -4.473 -1.850 22.247 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.280 -4.253 23.783 1.00 0.00 C ATOM 1106 CG ASN A 77 -3.853 -5.063 24.930 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -4.520 -4.524 25.802 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -3.616 -6.344 24.944 1.00 0.00 N ATOM 0 H ASN A 77 -3.095 -5.750 21.646 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.241 -4.232 22.900 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.320 -4.677 23.490 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.088 -3.236 24.124 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.990 -6.924 25.695 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.056 -6.767 24.204 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.359 -2.965 20.671 1.00 0.00 N ATOM 1116 CA ALA A 78 -3.049 -1.756 19.934 1.00 0.00 C ATOM 1117 C ALA A 78 -4.117 -1.426 18.924 1.00 0.00 C ATOM 1118 O ALA A 78 -4.665 -2.320 18.280 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.659 -1.842 19.263 1.00 0.00 C ATOM 0 H ALA A 78 -3.033 -3.828 20.236 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.020 -0.942 20.658 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.460 -0.919 18.719 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.895 -1.986 20.027 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.641 -2.683 18.569 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.440 -0.146 18.823 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.354 0.358 17.817 1.00 0.00 C ATOM 1127 C VAL A 79 -4.692 1.592 17.176 1.00 0.00 C ATOM 1128 O VAL A 79 -3.590 1.985 17.595 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.792 0.726 18.387 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -7.220 -0.171 19.469 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.982 2.166 18.767 1.00 0.00 C ATOM 0 H VAL A 79 -4.071 0.575 19.443 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.533 -0.430 17.085 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.450 0.567 17.533 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.208 0.127 19.819 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.260 -1.195 19.098 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.509 -0.112 20.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.994 2.312 19.144 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.264 2.436 19.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.826 2.797 17.892 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.337 2.199 16.208 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.780 3.340 15.552 1.00 0.00 C ATOM 1143 C GLY A 80 -3.732 2.914 14.598 1.00 0.00 C ATOM 1144 O GLY A 80 -3.826 1.810 14.056 1.00 0.00 O ATOM 0 H GLY A 80 -6.253 1.914 15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.563 3.885 15.025 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.357 4.023 16.289 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.771 3.778 14.371 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.612 3.478 13.571 1.00 0.00 C ATOM 1150 C GLU A 81 -0.787 2.420 14.234 1.00 0.00 C ATOM 1151 O GLU A 81 -0.247 2.620 15.330 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.723 4.701 13.370 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.247 5.739 12.417 1.00 0.00 C ATOM 1154 CD GLU A 81 -0.264 6.862 12.258 1.00 0.00 C ATOM 1155 OE1 GLU A 81 0.727 6.707 11.527 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -0.452 7.918 12.878 1.00 0.00 O ATOM 0 H GLU A 81 -2.775 4.727 14.745 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.980 3.139 12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.561 5.173 14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.250 4.365 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.444 5.282 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.196 6.130 12.784 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.706 1.313 13.609 1.00 0.00 N ATOM 1164 CA ILE A 82 0.121 0.259 14.081 1.00 0.00 C ATOM 1165 C ILE A 82 1.135 0.006 13.019 1.00 0.00 C ATOM 1166 O ILE A 82 0.790 -0.353 11.893 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.706 -1.004 14.382 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.752 -0.667 15.442 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.197 -2.149 14.858 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.768 -1.734 15.664 1.00 0.00 C ATOM 0 H ILE A 82 -1.212 1.103 12.749 1.00 0.00 H new ATOM 0 HA ILE A 82 0.605 0.533 15.018 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.203 -1.336 13.470 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.244 -0.464 16.385 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.264 0.251 15.151 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.411 -3.030 15.064 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.926 -2.384 14.082 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.719 -1.847 15.766 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.472 -1.412 16.432 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.306 -1.923 14.735 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.271 -2.648 15.988 1.00 0.00 H new ATOM 1182 N HIS A 83 2.365 0.217 13.357 1.00 0.00 N ATOM 1183 CA HIS A 83 3.441 0.129 12.393 1.00 0.00 C ATOM 1184 C HIS A 83 4.081 -1.203 12.555 1.00 0.00 C ATOM 1185 O HIS A 83 4.530 -1.527 13.631 1.00 0.00 O ATOM 1186 CB HIS A 83 4.507 1.230 12.635 1.00 0.00 C ATOM 1187 CG HIS A 83 3.982 2.644 12.748 1.00 0.00 C ATOM 1188 ND1 HIS A 83 3.960 3.540 11.706 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.476 3.316 13.818 1.00 0.00 C ATOM 1190 CE1 HIS A 83 3.467 4.691 12.125 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.167 4.577 13.397 1.00 0.00 N ATOM 0 H HIS A 83 2.664 0.455 14.303 1.00 0.00 H new ATOM 0 HA HIS A 83 3.038 0.264 11.389 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.048 0.990 13.550 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.229 1.195 11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.344 2.924 14.816 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.333 5.577 11.522 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.767 5.313 13.979 1.00 0.00 H new ATOM 1200 N MET A 84 4.080 -1.986 11.544 1.00 0.00 N ATOM 1201 CA MET A 84 4.713 -3.268 11.624 1.00 0.00 C ATOM 1202 C MET A 84 5.680 -3.399 10.512 1.00 0.00 C ATOM 1203 O MET A 84 5.540 -2.744 9.494 1.00 0.00 O ATOM 1204 CB MET A 84 3.728 -4.413 11.502 1.00 0.00 C ATOM 1205 CG MET A 84 2.563 -4.408 12.459 1.00 0.00 C ATOM 1206 SD MET A 84 1.592 -5.912 12.301 1.00 0.00 S ATOM 1207 CE MET A 84 1.525 -6.046 10.520 1.00 0.00 C ATOM 0 H MET A 84 3.650 -1.772 10.644 1.00 0.00 H new ATOM 0 HA MET A 84 5.195 -3.324 12.600 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.334 -4.416 10.486 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.274 -5.347 11.635 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.928 -4.313 13.482 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.932 -3.541 12.264 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.727 -6.732 10.237 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.330 -5.064 10.088 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.477 -6.424 10.147 1.00 0.00 H new ATOM 1217 N LYS A 85 6.630 -4.246 10.671 1.00 0.00 N ATOM 1218 CA LYS A 85 7.578 -4.495 9.635 1.00 0.00 C ATOM 1219 C LYS A 85 7.490 -5.945 9.343 1.00 0.00 C ATOM 1220 O LYS A 85 7.561 -6.756 10.247 1.00 0.00 O ATOM 1221 CB LYS A 85 8.985 -4.171 10.088 1.00 0.00 C ATOM 1222 CG LYS A 85 9.226 -2.766 10.531 1.00 0.00 C ATOM 1223 CD LYS A 85 9.289 -1.785 9.398 1.00 0.00 C ATOM 1224 CE LYS A 85 10.025 -0.560 9.858 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.106 0.495 8.829 1.00 0.00 N ATOM 0 H LYS A 85 6.777 -4.789 11.522 1.00 0.00 H new ATOM 0 HA LYS A 85 7.362 -3.875 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.243 -4.839 10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.669 -4.394 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.432 -2.468 11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.161 -2.725 11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.795 -2.230 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.283 -1.521 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.530 -0.158 10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.034 -0.843 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.625 1.312 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.603 0.127 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.146 0.790 8.558 1.00 0.00 H new ATOM 1239 N THR A 86 7.266 -6.278 8.140 1.00 0.00 N ATOM 1240 CA THR A 86 7.154 -7.658 7.779 1.00 0.00 C ATOM 1241 C THR A 86 8.195 -8.017 6.729 1.00 0.00 C ATOM 1242 O THR A 86 8.530 -7.199 5.885 1.00 0.00 O ATOM 1243 CB THR A 86 5.723 -8.005 7.265 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.448 -7.338 6.013 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.666 -7.590 8.282 1.00 0.00 C ATOM 0 H THR A 86 7.153 -5.620 7.369 1.00 0.00 H new ATOM 0 HA THR A 86 7.335 -8.250 8.676 1.00 0.00 H new ATOM 0 HB THR A 86 5.685 -9.084 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.766 -6.412 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.676 -7.842 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.838 -8.116 9.221 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.727 -6.515 8.452 1.00 0.00 H new ATOM 1253 N MET A 87 8.723 -9.211 6.804 1.00 0.00 N ATOM 1254 CA MET A 87 9.691 -9.683 5.825 1.00 0.00 C ATOM 1255 C MET A 87 9.066 -10.857 5.125 1.00 0.00 C ATOM 1256 O MET A 87 8.059 -11.354 5.611 1.00 0.00 O ATOM 1257 CB MET A 87 11.000 -10.132 6.502 1.00 0.00 C ATOM 1258 CG MET A 87 11.696 -9.061 7.296 1.00 0.00 C ATOM 1259 SD MET A 87 13.387 -9.518 7.743 1.00 0.00 S ATOM 1260 CE MET A 87 13.123 -11.058 8.625 1.00 0.00 C ATOM 0 H MET A 87 8.502 -9.886 7.536 1.00 0.00 H new ATOM 0 HA MET A 87 9.939 -8.880 5.131 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.782 -10.971 7.162 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.683 -10.498 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.714 -8.138 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.126 -8.858 8.203 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.834 -11.133 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.107 -11.082 9.020 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.267 -11.897 7.944 1.00 0.00 H new ATOM 1270 N PRO A 88 9.633 -11.372 4.010 1.00 0.00 N ATOM 1271 CA PRO A 88 9.083 -12.554 3.291 1.00 0.00 C ATOM 1272 C PRO A 88 9.280 -13.874 4.068 1.00 0.00 C ATOM 1273 O PRO A 88 9.365 -14.941 3.468 1.00 0.00 O ATOM 1274 CB PRO A 88 9.909 -12.596 1.987 1.00 0.00 C ATOM 1275 CG PRO A 88 10.576 -11.268 1.899 1.00 0.00 C ATOM 1276 CD PRO A 88 10.818 -10.840 3.304 1.00 0.00 C ATOM 0 HA PRO A 88 8.007 -12.462 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.642 -13.403 2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.269 -12.773 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.512 -11.337 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.947 -10.549 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.746 -11.253 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.889 -9.756 3.391 1.00 0.00 H new ATOM 1284 N ALA A 89 9.308 -13.776 5.411 1.00 0.00 N ATOM 1285 CA ALA A 89 9.501 -14.905 6.313 1.00 0.00 C ATOM 1286 C ALA A 89 10.807 -15.613 6.000 1.00 0.00 C ATOM 1287 O ALA A 89 10.872 -16.841 5.804 1.00 0.00 O ATOM 1288 CB ALA A 89 8.296 -15.833 6.280 1.00 0.00 C ATOM 0 H ALA A 89 9.194 -12.888 5.899 1.00 0.00 H new ATOM 0 HA ALA A 89 9.579 -14.540 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.461 -16.668 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.406 -15.285 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.156 -16.212 5.268 1.00 0.00 H new ATOM 1294 N ALA A 90 11.833 -14.814 5.926 1.00 0.00 N ATOM 1295 CA ALA A 90 13.155 -15.256 5.652 1.00 0.00 C ATOM 1296 C ALA A 90 14.028 -14.876 6.826 1.00 0.00 C ATOM 1297 O ALA A 90 14.434 -13.711 6.921 1.00 0.00 O ATOM 1298 CB ALA A 90 13.663 -14.635 4.357 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.271 -15.738 7.691 1.00 0.00 O ATOM 0 H ALA A 90 11.761 -13.805 6.060 1.00 0.00 H new ATOM 0 HA ALA A 90 13.177 -16.338 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.677 -14.983 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.012 -14.928 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.664 -13.549 4.450 1.00 0.00 H new