USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 706 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 59 LYS NZ :NH3+ -146:sc= -4.64! (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -3.93! C(o=-8.6!,f=-19!) USER MOD Set 2.1: A 49 SER OG : rot 140:sc= 0.113 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -160:sc= -1.61 (180deg=-2.14!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -165:sc= 0.209 (180deg=0) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.208 USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.226 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 113:sc= 0.56 USER MOD Single : A 7 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -24:sc= 0.087 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -1.28 (180deg=-1.78!) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc=-0.00844 (180deg=-0.247) USER MOD Single : A 24 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.63) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 33 GLN : amide:sc= -1.01 X(o=-1,f=-1.4!) USER MOD Single : A 34 HIS : no HE2:sc= 0.217 K(o=0.22,f=-0.83) USER MOD Single : A 41 HIS : no HD1:sc= -16.8! C(o=-17!,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -1.31 (180deg=-2.97!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.435 USER MOD Single : A 60 CYS SG : rot 69:sc= -2.27 USER MOD Single : A 63 TYR OH : rot 17:sc= 0.523 USER MOD Single : A 69 LYS NZ :NH3+ -119:sc= -1.1 (180deg=-3.03!) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -1.03 (180deg=-1.72) USER MOD Single : A 73 TYR OH : rot -22:sc= -2.36! USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 14.216 -13.200 0.486 1.00 1.00 N ATOM 2 CA THR A 3 13.915 -12.030 -0.332 1.00 1.00 C ATOM 3 C THR A 3 14.252 -10.750 0.422 1.00 1.00 C ATOM 4 O THR A 3 13.957 -10.620 1.609 1.00 1.00 O ATOM 5 CB THR A 3 12.434 -12.020 -0.726 1.00 1.00 C ATOM 6 OG1 THR A 3 12.089 -13.280 -1.287 1.00 1.00 O ATOM 7 CG2 THR A 3 12.185 -10.920 -1.758 1.00 1.00 C ATOM 0 HA THR A 3 14.524 -12.081 -1.235 1.00 1.00 H new ATOM 0 HB THR A 3 11.824 -11.832 0.158 1.00 1.00 H new ATOM 0 HG1 THR A 3 12.630 -13.983 -0.870 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.131 -10.915 -2.037 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.452 -9.953 -1.331 1.00 1.00 H new ATOM 0 HG23 THR A 3 12.794 -11.107 -2.643 1.00 1.00 H new ATOM 15 N SER A 4 14.870 -9.807 -0.278 1.00 1.00 N ATOM 16 CA SER A 4 15.241 -8.539 0.337 1.00 1.00 C ATOM 17 C SER A 4 14.000 -7.813 0.835 1.00 1.00 C ATOM 18 O SER A 4 12.911 -7.978 0.287 1.00 1.00 O ATOM 19 CB SER A 4 15.979 -7.661 -0.674 1.00 1.00 C ATOM 20 OG SER A 4 16.973 -8.435 -1.331 1.00 1.00 O ATOM 0 H SER A 4 15.123 -9.894 -1.262 1.00 1.00 H new ATOM 0 HA SER A 4 15.898 -8.742 1.183 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.276 -7.256 -1.403 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.438 -6.812 -0.168 1.00 1.00 H new ATOM 0 HG SER A 4 17.447 -7.875 -1.981 1.00 1.00 H new ATOM 26 N THR A 5 14.168 -7.022 1.884 1.00 1.00 N ATOM 27 CA THR A 5 13.048 -6.291 2.454 1.00 1.00 C ATOM 28 C THR A 5 12.464 -5.339 1.419 1.00 1.00 C ATOM 29 O THR A 5 11.246 -5.223 1.287 1.00 1.00 O ATOM 30 CB THR A 5 13.508 -5.482 3.673 1.00 1.00 C ATOM 31 OG1 THR A 5 14.337 -6.292 4.493 1.00 1.00 O ATOM 32 CG2 THR A 5 12.292 -5.032 4.486 1.00 1.00 C ATOM 0 H THR A 5 15.061 -6.871 2.354 1.00 1.00 H new ATOM 0 HA THR A 5 12.288 -7.010 2.760 1.00 1.00 H new ATOM 0 HB THR A 5 14.063 -4.608 3.332 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.253 -5.945 4.476 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.625 -4.458 5.351 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.648 -4.411 3.864 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.736 -5.907 4.823 1.00 1.00 H new ATOM 40 N LEU A 6 13.336 -4.644 0.693 1.00 1.00 N ATOM 41 CA LEU A 6 12.884 -3.697 -0.317 1.00 1.00 C ATOM 42 C LEU A 6 12.174 -4.421 -1.461 1.00 1.00 C ATOM 43 O LEU A 6 11.115 -4.001 -1.920 1.00 1.00 O ATOM 44 CB LEU A 6 14.100 -2.925 -0.869 1.00 1.00 C ATOM 45 CG LEU A 6 13.693 -1.511 -1.325 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.510 -1.594 -2.296 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.311 -0.641 -0.105 1.00 1.00 C ATOM 0 H LEU A 6 14.349 -4.719 0.785 1.00 1.00 H new ATOM 0 HA LEU A 6 12.179 -3.004 0.142 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.871 -2.856 -0.102 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.533 -3.471 -1.707 1.00 1.00 H new ATOM 0 HG LEU A 6 14.541 -1.051 -1.832 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.229 -0.590 -2.613 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.795 -2.183 -3.167 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.664 -2.068 -1.799 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.026 0.355 -0.443 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.473 -1.099 0.421 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.164 -0.565 0.569 1.00 1.00 H new ATOM 59 N GLN A 7 12.774 -5.511 -1.919 1.00 1.00 N ATOM 60 CA GLN A 7 12.196 -6.264 -3.017 1.00 1.00 C ATOM 61 C GLN A 7 10.807 -6.755 -2.653 1.00 1.00 C ATOM 62 O GLN A 7 9.879 -6.679 -3.460 1.00 1.00 O ATOM 63 CB GLN A 7 13.101 -7.452 -3.368 1.00 1.00 C ATOM 64 CG GLN A 7 12.508 -8.239 -4.545 1.00 1.00 C ATOM 65 CD GLN A 7 12.391 -7.342 -5.770 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.400 -6.897 -6.315 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.208 -7.041 -6.230 1.00 1.00 N ATOM 0 H GLN A 7 13.648 -5.887 -1.552 1.00 1.00 H new ATOM 0 HA GLN A 7 12.114 -5.609 -3.885 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.098 -7.095 -3.625 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.209 -8.105 -2.502 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.139 -9.098 -4.773 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.526 -8.628 -4.275 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.374 -7.412 -5.775 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.117 -6.434 -7.045 1.00 1.00 H new ATOM 76 N LYS A 8 10.664 -7.265 -1.441 1.00 1.00 N ATOM 77 CA LYS A 8 9.377 -7.770 -1.000 1.00 1.00 C ATOM 78 C LYS A 8 8.363 -6.632 -0.909 1.00 1.00 C ATOM 79 O LYS A 8 7.211 -6.782 -1.312 1.00 1.00 O ATOM 80 CB LYS A 8 9.516 -8.448 0.370 1.00 1.00 C ATOM 81 CG LYS A 8 8.444 -9.532 0.527 1.00 1.00 C ATOM 82 CD LYS A 8 8.679 -10.270 1.833 1.00 1.00 C ATOM 83 CE LYS A 8 7.649 -11.390 1.981 1.00 1.00 C ATOM 84 NZ LYS A 8 7.878 -12.110 3.262 1.00 1.00 N ATOM 0 H LYS A 8 11.414 -7.340 -0.753 1.00 1.00 H new ATOM 0 HA LYS A 8 9.025 -8.501 -1.728 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.508 -8.889 0.468 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.416 -7.708 1.164 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.451 -9.083 0.521 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.485 -10.227 -0.312 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.687 -10.684 1.852 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.603 -9.579 2.672 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.641 -10.976 1.960 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.727 -12.083 1.143 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.360 -13.012 3.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 8.895 -12.296 3.379 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 7.540 -11.526 4.054 1.00 1.00 H new ATOM 98 N ALA A 9 8.800 -5.499 -0.367 1.00 1.00 N ATOM 99 CA ALA A 9 7.914 -4.354 -0.218 1.00 1.00 C ATOM 100 C ALA A 9 7.334 -3.967 -1.577 1.00 1.00 C ATOM 101 O ALA A 9 6.134 -3.715 -1.708 1.00 1.00 O ATOM 102 CB ALA A 9 8.690 -3.175 0.388 1.00 1.00 C ATOM 0 H ALA A 9 9.751 -5.352 -0.028 1.00 1.00 H new ATOM 0 HA ALA A 9 7.093 -4.616 0.450 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.024 -2.319 0.498 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.080 -3.460 1.365 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.518 -2.908 -0.269 1.00 1.00 H new ATOM 108 N ILE A 10 8.197 -3.949 -2.585 1.00 1.00 N ATOM 109 CA ILE A 10 7.772 -3.615 -3.940 1.00 1.00 C ATOM 110 C ILE A 10 6.800 -4.679 -4.451 1.00 1.00 C ATOM 111 O ILE A 10 5.833 -4.393 -5.139 1.00 1.00 O ATOM 112 CB ILE A 10 8.975 -3.494 -4.876 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.822 -2.289 -4.461 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.480 -3.280 -6.307 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.154 -2.321 -5.212 1.00 1.00 C ATOM 0 H ILE A 10 9.190 -4.160 -2.492 1.00 1.00 H new ATOM 0 HA ILE A 10 7.267 -2.649 -3.920 1.00 1.00 H new ATOM 0 HB ILE A 10 9.572 -4.404 -4.820 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.290 -1.364 -4.681 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.998 -2.307 -3.385 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.334 -3.193 -6.978 1.00 1.00 H new ATOM 0 HG22 ILE A 10 7.865 -4.128 -6.610 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.887 -2.367 -6.354 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.758 -1.463 -4.917 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.686 -3.241 -4.969 1.00 1.00 H new ATOM 0 HD13 ILE A 10 10.968 -2.282 -6.285 1.00 1.00 H new ATOM 127 N ASP A 11 7.091 -5.923 -4.170 1.00 1.00 N ATOM 128 CA ASP A 11 6.232 -6.987 -4.647 1.00 1.00 C ATOM 129 C ASP A 11 4.813 -6.820 -4.096 1.00 1.00 C ATOM 130 O ASP A 11 3.827 -6.945 -4.835 1.00 1.00 O ATOM 131 CB ASP A 11 6.808 -8.322 -4.198 1.00 1.00 C ATOM 132 CG ASP A 11 6.225 -9.462 -5.024 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.270 -9.219 -5.743 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.744 -10.560 -4.926 1.00 1.00 O ATOM 0 H ASP A 11 7.898 -6.225 -3.625 1.00 1.00 H new ATOM 0 HA ASP A 11 6.182 -6.950 -5.735 1.00 1.00 H new ATOM 0 HB2 ASP A 11 7.893 -8.309 -4.301 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.590 -8.482 -3.142 1.00 1.00 H new ATOM 139 N LEU A 12 4.710 -6.552 -2.793 1.00 1.00 N ATOM 140 CA LEU A 12 3.414 -6.393 -2.143 1.00 1.00 C ATOM 141 C LEU A 12 2.660 -5.188 -2.688 1.00 1.00 C ATOM 142 O LEU A 12 1.454 -5.260 -2.932 1.00 1.00 O ATOM 143 CB LEU A 12 3.634 -6.198 -0.640 1.00 1.00 C ATOM 144 CG LEU A 12 4.294 -7.445 -0.032 1.00 1.00 C ATOM 145 CD1 LEU A 12 4.841 -7.096 1.355 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.281 -8.598 0.083 1.00 1.00 C ATOM 0 H LEU A 12 5.510 -6.441 -2.170 1.00 1.00 H new ATOM 0 HA LEU A 12 2.822 -7.287 -2.339 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.263 -5.325 -0.468 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.681 -6.006 -0.148 1.00 1.00 H new ATOM 0 HG LEU A 12 5.107 -7.768 -0.683 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.311 -7.977 1.793 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.578 -6.298 1.265 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.024 -6.765 1.996 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.770 -9.470 0.516 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.453 -8.292 0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.902 -8.849 -0.907 1.00 1.00 H new ATOM 158 N VAL A 13 3.367 -4.079 -2.871 1.00 1.00 N ATOM 159 CA VAL A 13 2.728 -2.871 -3.385 1.00 1.00 C ATOM 160 C VAL A 13 2.277 -3.076 -4.830 1.00 1.00 C ATOM 161 O VAL A 13 1.210 -2.611 -5.233 1.00 1.00 O ATOM 162 CB VAL A 13 3.683 -1.670 -3.275 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.667 -1.664 -4.436 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.890 -0.368 -3.296 1.00 1.00 C ATOM 0 H VAL A 13 4.364 -3.989 -2.676 1.00 1.00 H new ATOM 0 HA VAL A 13 1.845 -2.662 -2.781 1.00 1.00 H new ATOM 0 HB VAL A 13 4.230 -1.755 -2.336 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.335 -0.808 -4.342 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.252 -2.584 -4.422 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.120 -1.596 -5.376 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.575 0.476 -3.218 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.332 -0.297 -4.229 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.196 -0.351 -2.456 1.00 1.00 H new ATOM 174 N THR A 14 3.098 -3.780 -5.604 1.00 1.00 N ATOM 175 CA THR A 14 2.771 -4.037 -7.002 1.00 1.00 C ATOM 176 C THR A 14 1.437 -4.769 -7.083 1.00 1.00 C ATOM 177 O THR A 14 0.528 -4.380 -7.832 1.00 1.00 O ATOM 178 CB THR A 14 3.878 -4.882 -7.644 1.00 1.00 C ATOM 179 OG1 THR A 14 5.097 -4.152 -7.628 1.00 1.00 O ATOM 180 CG2 THR A 14 3.509 -5.219 -9.089 1.00 1.00 C ATOM 0 H THR A 14 3.984 -4.178 -5.292 1.00 1.00 H new ATOM 0 HA THR A 14 2.693 -3.092 -7.540 1.00 1.00 H new ATOM 0 HB THR A 14 3.993 -5.807 -7.079 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.556 -4.300 -6.775 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.301 -5.819 -9.536 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.575 -5.781 -9.104 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.387 -4.297 -9.658 1.00 1.00 H new ATOM 188 N LYS A 15 1.305 -5.817 -6.285 1.00 1.00 N ATOM 189 CA LYS A 15 0.062 -6.562 -6.269 1.00 1.00 C ATOM 190 C LYS A 15 -1.064 -5.654 -5.793 1.00 1.00 C ATOM 191 O LYS A 15 -2.163 -5.676 -6.324 1.00 1.00 O ATOM 192 CB LYS A 15 0.188 -7.757 -5.346 1.00 1.00 C ATOM 193 CG LYS A 15 -1.045 -8.643 -5.499 1.00 1.00 C ATOM 194 CD LYS A 15 -0.960 -9.801 -4.511 1.00 1.00 C ATOM 195 CE LYS A 15 0.203 -10.730 -4.871 1.00 1.00 C ATOM 196 NZ LYS A 15 0.020 -12.030 -4.180 1.00 1.00 N ATOM 0 H LYS A 15 2.028 -6.163 -5.654 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.161 -6.917 -7.275 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.089 -8.323 -5.585 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.285 -7.424 -4.313 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.949 -8.062 -5.318 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.109 -9.024 -6.518 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.825 -9.415 -3.500 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.895 -10.361 -4.517 1.00 1.00 H new ATOM 0 HE2 LYS A 15 0.244 -10.880 -5.950 1.00 1.00 H new ATOM 0 HE3 LYS A 15 1.150 -10.278 -4.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.807 -12.665 -4.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 0.001 -11.877 -3.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -0.877 -12.461 -4.482 1.00 1.00 H new ATOM 210 N ALA A 16 -0.794 -4.857 -4.772 1.00 1.00 N ATOM 211 CA ALA A 16 -1.814 -3.970 -4.241 1.00 1.00 C ATOM 212 C ALA A 16 -2.428 -3.121 -5.342 1.00 1.00 C ATOM 213 O ALA A 16 -3.642 -2.922 -5.387 1.00 1.00 O ATOM 214 CB ALA A 16 -1.199 -3.052 -3.181 1.00 1.00 C ATOM 0 H ALA A 16 0.109 -4.806 -4.301 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.598 -4.583 -3.796 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.967 -2.388 -2.785 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.788 -3.655 -2.371 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.403 -2.458 -3.631 1.00 1.00 H new ATOM 220 N THR A 17 -1.582 -2.604 -6.218 1.00 1.00 N ATOM 221 CA THR A 17 -2.061 -1.761 -7.295 1.00 1.00 C ATOM 222 C THR A 17 -2.928 -2.556 -8.260 1.00 1.00 C ATOM 223 O THR A 17 -3.962 -2.068 -8.730 1.00 1.00 O ATOM 224 CB THR A 17 -0.874 -1.162 -8.061 1.00 1.00 C ATOM 225 OG1 THR A 17 -0.036 -2.212 -8.512 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.060 -0.224 -7.154 1.00 1.00 C ATOM 0 H THR A 17 -0.573 -2.752 -6.204 1.00 1.00 H new ATOM 0 HA THR A 17 -2.659 -0.962 -6.858 1.00 1.00 H new ATOM 0 HB THR A 17 -1.255 -0.590 -8.907 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.167 -3.001 -7.946 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.777 0.190 -7.716 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.698 0.587 -6.803 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.319 -0.783 -6.299 1.00 1.00 H new ATOM 234 N GLU A 18 -2.527 -3.792 -8.539 1.00 1.00 N ATOM 235 CA GLU A 18 -3.309 -4.618 -9.448 1.00 1.00 C ATOM 236 C GLU A 18 -4.692 -4.898 -8.850 1.00 1.00 C ATOM 237 O GLU A 18 -5.705 -4.861 -9.556 1.00 1.00 O ATOM 238 CB GLU A 18 -2.550 -5.933 -9.774 1.00 1.00 C ATOM 239 CG GLU A 18 -3.103 -7.119 -8.971 1.00 1.00 C ATOM 240 CD GLU A 18 -2.269 -8.379 -9.210 1.00 1.00 C ATOM 241 OE1 GLU A 18 -1.055 -8.274 -9.193 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.860 -9.433 -9.391 1.00 1.00 O ATOM 0 H GLU A 18 -1.689 -4.233 -8.160 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.453 -4.080 -10.385 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.631 -6.146 -10.840 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.490 -5.806 -9.553 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.103 -6.875 -7.909 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.139 -7.305 -9.256 1.00 1.00 H new ATOM 249 N GLU A 19 -4.724 -5.174 -7.547 1.00 1.00 N ATOM 250 CA GLU A 19 -5.974 -5.459 -6.867 1.00 1.00 C ATOM 251 C GLU A 19 -6.873 -4.231 -6.873 1.00 1.00 C ATOM 252 O GLU A 19 -8.086 -4.334 -7.051 1.00 1.00 O ATOM 253 CB GLU A 19 -5.682 -5.888 -5.428 1.00 1.00 C ATOM 254 CG GLU A 19 -5.080 -7.301 -5.409 1.00 1.00 C ATOM 255 CD GLU A 19 -6.103 -8.326 -5.894 1.00 1.00 C ATOM 256 OE1 GLU A 19 -7.285 -8.027 -5.835 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.689 -9.391 -6.319 1.00 1.00 O ATOM 0 H GLU A 19 -3.899 -5.205 -6.948 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.489 -6.265 -7.389 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.991 -5.184 -4.964 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.600 -5.868 -4.841 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.195 -7.334 -6.044 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.757 -7.551 -4.399 1.00 1.00 H new ATOM 264 N ASP A 20 -6.275 -3.067 -6.695 1.00 1.00 N ATOM 265 CA ASP A 20 -7.043 -1.837 -6.697 1.00 1.00 C ATOM 266 C ASP A 20 -7.754 -1.686 -8.037 1.00 1.00 C ATOM 267 O ASP A 20 -8.907 -1.263 -8.097 1.00 1.00 O ATOM 268 CB ASP A 20 -6.116 -0.651 -6.467 1.00 1.00 C ATOM 269 CG ASP A 20 -6.936 0.598 -6.159 1.00 1.00 C ATOM 270 OD1 ASP A 20 -8.117 0.597 -6.467 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.371 1.536 -5.624 1.00 1.00 O ATOM 0 H ASP A 20 -5.273 -2.948 -6.549 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.783 -1.870 -5.897 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.437 -0.864 -5.641 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.500 -0.483 -7.350 1.00 1.00 H new ATOM 276 N LYS A 21 -7.061 -2.052 -9.113 1.00 1.00 N ATOM 277 CA LYS A 21 -7.653 -1.965 -10.440 1.00 1.00 C ATOM 278 C LYS A 21 -8.819 -2.937 -10.550 1.00 1.00 C ATOM 279 O LYS A 21 -9.858 -2.620 -11.130 1.00 1.00 O ATOM 280 CB LYS A 21 -6.612 -2.311 -11.500 1.00 1.00 C ATOM 281 CG LYS A 21 -5.491 -1.273 -11.450 1.00 1.00 C ATOM 282 CD LYS A 21 -4.320 -1.735 -12.330 1.00 1.00 C ATOM 283 CE LYS A 21 -3.051 -0.974 -11.940 1.00 1.00 C ATOM 284 NZ LYS A 21 -3.132 0.424 -12.460 1.00 1.00 N ATOM 0 H LYS A 21 -6.105 -2.406 -9.091 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.008 -0.947 -10.599 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -6.210 -3.309 -11.322 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -7.071 -2.323 -12.489 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.860 -0.308 -11.796 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.155 -1.136 -10.422 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.164 -2.807 -12.211 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.551 -1.561 -13.381 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.938 -0.965 -10.856 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.173 -1.475 -12.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -2.400 1.006 -12.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.982 0.421 -13.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -4.070 0.819 -12.248 1.00 1.00 H new ATOM 298 N ALA A 22 -8.628 -4.134 -10.000 1.00 1.00 N ATOM 299 CA ALA A 22 -9.666 -5.158 -10.050 1.00 1.00 C ATOM 300 C ALA A 22 -10.800 -4.823 -9.095 1.00 1.00 C ATOM 301 O ALA A 22 -11.680 -5.653 -8.844 1.00 1.00 O ATOM 302 CB ALA A 22 -9.068 -6.522 -9.702 1.00 1.00 C ATOM 0 H ALA A 22 -7.773 -4.416 -9.520 1.00 1.00 H new ATOM 0 HA ALA A 22 -10.071 -5.193 -11.061 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.848 -7.282 -9.741 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -8.284 -6.769 -10.418 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.644 -6.488 -8.698 1.00 1.00 H new ATOM 308 N LYS A 23 -10.770 -3.603 -8.568 1.00 1.00 N ATOM 309 CA LYS A 23 -11.800 -3.132 -7.634 1.00 1.00 C ATOM 310 C LYS A 23 -11.730 -3.914 -6.330 1.00 1.00 C ATOM 311 O LYS A 23 -12.740 -4.060 -5.631 1.00 1.00 O ATOM 312 CB LYS A 23 -13.190 -3.283 -8.245 1.00 1.00 C ATOM 313 CG LYS A 23 -13.210 -2.675 -9.650 1.00 1.00 C ATOM 314 CD LYS A 23 -12.960 -1.163 -9.567 1.00 1.00 C ATOM 315 CE LYS A 23 -13.410 -0.497 -10.860 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.900 -0.429 -10.890 1.00 1.00 N ATOM 0 H LYS A 23 -10.043 -2.917 -8.770 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.615 -2.077 -7.431 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.464 -4.337 -8.291 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.930 -2.789 -7.615 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.447 -3.145 -10.270 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.171 -2.868 -10.126 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.503 -0.741 -8.721 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.901 -0.969 -9.396 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.988 0.505 -10.932 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.043 -1.060 -11.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -15.200 0.322 -11.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -15.283 -1.341 -11.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -15.257 -0.220 -9.936 1.00 1.00 H new ATOM 330 N ASN A 24 -10.550 -4.414 -6.005 1.00 1.00 N ATOM 331 CA ASN A 24 -10.350 -5.181 -4.775 1.00 1.00 C ATOM 332 C ASN A 24 -9.769 -4.283 -3.680 1.00 1.00 C ATOM 333 O ASN A 24 -8.626 -4.447 -3.273 1.00 1.00 O ATOM 334 CB ASN A 24 -9.425 -6.378 -5.063 1.00 1.00 C ATOM 335 CG ASN A 24 -10.190 -7.697 -5.119 1.00 1.00 C ATOM 336 OD1 ASN A 24 -11.360 -7.728 -5.503 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.592 -8.790 -4.737 1.00 1.00 N ATOM 0 H ASN A 24 -9.710 -4.305 -6.574 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.308 -5.560 -4.420 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.911 -6.218 -6.011 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.659 -6.437 -4.290 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -10.093 -9.678 -4.755 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.623 -8.757 -4.420 1.00 1.00 H new ATOM 344 N TYR A 25 -10.550 -3.327 -3.222 1.00 1.00 N ATOM 345 CA TYR A 25 -10.090 -2.408 -2.188 1.00 1.00 C ATOM 346 C TYR A 25 -9.653 -3.177 -0.948 1.00 1.00 C ATOM 347 O TYR A 25 -8.652 -2.832 -0.324 1.00 1.00 O ATOM 348 CB TYR A 25 -11.220 -1.441 -1.820 1.00 1.00 C ATOM 349 CG TYR A 25 -11.940 -0.999 -3.075 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.220 -0.600 -4.213 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.340 -0.988 -3.100 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.900 -0.196 -5.366 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.020 -0.581 -4.257 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.290 -0.188 -5.391 1.00 1.00 C ATOM 355 OH TYR A 25 -13.960 0.211 -6.531 1.00 1.00 O ATOM 0 H TYR A 25 -11.504 -3.162 -3.544 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.238 -1.847 -2.572 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.920 -1.926 -1.139 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.815 -0.575 -1.297 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.140 -0.605 -4.197 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.897 -1.294 -2.227 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.344 0.111 -6.240 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.100 -0.570 -4.276 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.927 0.156 -6.379 1.00 1.00 H new ATOM 365 N GLU A 26 -10.390 -4.212 -0.590 1.00 1.00 N ATOM 366 CA GLU A 26 -10.050 -5.004 0.584 1.00 1.00 C ATOM 367 C GLU A 26 -8.678 -5.651 0.430 1.00 1.00 C ATOM 368 O GLU A 26 -7.811 -5.510 1.302 1.00 1.00 O ATOM 369 CB GLU A 26 -11.100 -6.096 0.789 1.00 1.00 C ATOM 370 CG GLU A 26 -12.330 -5.503 1.473 1.00 1.00 C ATOM 371 CD GLU A 26 -13.430 -6.557 1.575 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.210 -7.660 1.102 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.470 -6.245 2.122 1.00 1.00 O ATOM 0 H GLU A 26 -11.223 -4.525 -1.089 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.027 -4.339 1.448 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.379 -6.531 -0.171 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.687 -6.902 1.396 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -12.066 -5.144 2.468 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.690 -4.643 0.909 1.00 1.00 H new ATOM 380 N GLU A 27 -8.479 -6.355 -0.676 1.00 1.00 N ATOM 381 CA GLU A 27 -7.203 -7.014 -0.905 1.00 1.00 C ATOM 382 C GLU A 27 -6.108 -5.971 -1.099 1.00 1.00 C ATOM 383 O GLU A 27 -5.032 -6.069 -0.516 1.00 1.00 O ATOM 384 CB GLU A 27 -7.289 -7.918 -2.146 1.00 1.00 C ATOM 385 CG GLU A 27 -6.252 -9.040 -2.062 1.00 1.00 C ATOM 386 CD GLU A 27 -6.687 -10.070 -1.030 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.780 -9.940 -0.507 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.918 -10.980 -0.775 1.00 1.00 O ATOM 0 H GLU A 27 -9.170 -6.483 -1.415 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.963 -7.628 -0.037 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -8.289 -8.344 -2.225 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -7.122 -7.327 -3.047 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -6.137 -9.515 -3.036 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.280 -8.629 -1.791 1.00 1.00 H new ATOM 395 N ALA A 28 -6.400 -4.969 -1.924 1.00 1.00 N ATOM 396 CA ALA A 28 -5.441 -3.914 -2.196 1.00 1.00 C ATOM 397 C ALA A 28 -5.003 -3.252 -0.898 1.00 1.00 C ATOM 398 O ALA A 28 -3.813 -3.030 -0.683 1.00 1.00 O ATOM 399 CB ALA A 28 -6.059 -2.869 -3.132 1.00 1.00 C ATOM 0 H ALA A 28 -7.290 -4.870 -2.412 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.568 -4.353 -2.680 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.331 -2.082 -3.330 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.343 -3.344 -4.071 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.942 -2.437 -2.662 1.00 1.00 H new ATOM 405 N LEU A 29 -5.959 -2.941 -0.028 1.00 1.00 N ATOM 406 CA LEU A 29 -5.648 -2.299 1.238 1.00 1.00 C ATOM 407 C LEU A 29 -4.710 -3.151 2.063 1.00 1.00 C ATOM 408 O LEU A 29 -3.738 -2.649 2.629 1.00 1.00 O ATOM 409 CB LEU A 29 -6.950 -2.101 2.026 1.00 1.00 C ATOM 410 CG LEU A 29 -6.672 -1.558 3.442 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.196 -0.120 3.384 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.946 -1.626 4.278 1.00 1.00 C ATOM 0 H LEU A 29 -6.951 -3.124 -0.179 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.166 -1.343 1.033 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.600 -1.409 1.490 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.483 -3.049 2.096 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.893 -2.171 3.896 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.006 0.242 4.395 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.277 -0.064 2.800 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.962 0.498 2.915 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.746 -1.241 5.278 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.723 -1.024 3.807 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.281 -2.661 4.348 1.00 1.00 H new ATOM 424 N ARG A 30 -5.005 -4.433 2.149 1.00 1.00 N ATOM 425 CA ARG A 30 -4.164 -5.307 2.940 1.00 1.00 C ATOM 426 C ARG A 30 -2.734 -5.287 2.409 1.00 1.00 C ATOM 427 O ARG A 30 -1.771 -5.219 3.178 1.00 1.00 O ATOM 428 CB ARG A 30 -4.727 -6.722 2.890 1.00 1.00 C ATOM 429 CG ARG A 30 -6.007 -6.797 3.725 1.00 1.00 C ATOM 430 CD ARG A 30 -6.583 -8.211 3.647 1.00 1.00 C ATOM 431 NE ARG A 30 -7.789 -8.314 4.463 1.00 1.00 N ATOM 432 CZ ARG A 30 -8.480 -9.449 4.532 1.00 1.00 C ATOM 433 NH1 ARG A 30 -8.085 -10.490 3.865 1.00 1.00 N ATOM 434 NH2 ARG A 30 -9.555 -9.513 5.271 1.00 1.00 N ATOM 0 H ARG A 30 -5.799 -4.883 1.694 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.150 -4.959 3.973 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.937 -7.004 1.858 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.991 -7.430 3.270 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.794 -6.536 4.762 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.736 -6.075 3.358 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.814 -8.460 2.611 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.841 -8.932 3.990 1.00 1.00 H new ATOM 0 HE ARG A 30 -8.108 -7.501 4.990 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -7.245 -10.438 3.288 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -8.614 -11.360 3.918 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -9.864 -8.694 5.794 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -10.086 -10.382 5.325 1.00 1.00 H new ATOM 448 N LEU A 31 -2.605 -5.342 1.091 1.00 1.00 N ATOM 449 CA LEU A 31 -1.292 -5.333 0.462 1.00 1.00 C ATOM 450 C LEU A 31 -0.592 -3.993 0.678 1.00 1.00 C ATOM 451 O LEU A 31 0.618 -3.946 0.906 1.00 1.00 O ATOM 452 CB LEU A 31 -1.436 -5.607 -1.033 1.00 1.00 C ATOM 453 CG LEU A 31 -2.075 -6.987 -1.241 1.00 1.00 C ATOM 454 CD1 LEU A 31 -2.529 -7.113 -2.695 1.00 1.00 C ATOM 455 CD2 LEU A 31 -1.073 -8.109 -0.922 1.00 1.00 C ATOM 0 H LEU A 31 -3.388 -5.393 0.440 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.685 -6.114 0.920 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.051 -4.836 -1.497 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.460 -5.570 -1.516 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.927 -7.083 -0.568 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.984 -8.091 -2.851 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.258 -6.334 -2.917 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.669 -7.004 -3.356 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.549 -9.077 -1.077 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -0.207 -8.021 -1.579 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.751 -8.025 0.116 1.00 1.00 H new ATOM 467 N TYR A 32 -1.354 -2.902 0.594 1.00 1.00 N ATOM 468 CA TYR A 32 -0.779 -1.572 0.771 1.00 1.00 C ATOM 469 C TYR A 32 -0.145 -1.433 2.154 1.00 1.00 C ATOM 470 O TYR A 32 0.993 -0.979 2.285 1.00 1.00 O ATOM 471 CB TYR A 32 -1.874 -0.496 0.598 1.00 1.00 C ATOM 472 CG TYR A 32 -2.044 -0.141 -0.867 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.967 0.404 -1.582 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.271 -0.354 -1.511 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.113 0.735 -2.934 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.414 -0.028 -2.867 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.337 0.517 -3.577 1.00 1.00 C ATOM 478 OH TYR A 32 -2.480 0.829 -4.912 1.00 1.00 O ATOM 0 H TYR A 32 -2.357 -2.913 0.407 1.00 1.00 H new ATOM 0 HA TYR A 32 -0.006 -1.433 0.015 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.818 -0.862 1.002 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.609 0.396 1.166 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.021 0.569 -1.087 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.105 -0.768 -0.963 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.283 1.158 -3.480 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.357 -0.198 -3.365 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.391 0.615 -5.202 1.00 1.00 H new ATOM 488 N GLN A 33 -0.890 -1.817 3.179 1.00 1.00 N ATOM 489 CA GLN A 33 -0.393 -1.716 4.541 1.00 1.00 C ATOM 490 C GLN A 33 0.818 -2.621 4.741 1.00 1.00 C ATOM 491 O GLN A 33 1.806 -2.234 5.376 1.00 1.00 O ATOM 492 CB GLN A 33 -1.505 -2.112 5.516 1.00 1.00 C ATOM 493 CG GLN A 33 -2.638 -1.083 5.449 1.00 1.00 C ATOM 494 CD GLN A 33 -3.763 -1.486 6.397 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.645 -2.478 7.115 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.852 -0.769 6.445 1.00 1.00 N ATOM 0 H GLN A 33 -1.832 -2.198 3.095 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.087 -0.687 4.730 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.885 -3.103 5.267 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.110 -2.168 6.530 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.261 -0.096 5.717 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.017 -1.013 4.430 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.948 0.053 5.849 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.607 -1.031 7.079 1.00 1.00 H new ATOM 505 N HIS A 34 0.743 -3.826 4.191 1.00 1.00 N ATOM 506 CA HIS A 34 1.845 -4.776 4.317 1.00 1.00 C ATOM 507 C HIS A 34 3.101 -4.237 3.631 1.00 1.00 C ATOM 508 O HIS A 34 4.183 -4.197 4.223 1.00 1.00 O ATOM 509 CB HIS A 34 1.428 -6.121 3.680 1.00 1.00 C ATOM 510 CG HIS A 34 0.836 -7.027 4.731 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.504 -7.383 4.735 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.391 -7.642 5.824 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.707 -8.179 5.801 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.416 -8.369 6.500 1.00 1.00 N ATOM 0 H HIS A 34 -0.058 -4.168 3.659 1.00 1.00 H new ATOM 0 HA HIS A 34 2.071 -4.924 5.373 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.701 -5.947 2.886 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.293 -6.599 3.221 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.207 -7.094 4.055 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.428 -7.573 6.116 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.662 -8.612 6.060 1.00 1.00 H new ATOM 523 N ALA A 35 2.944 -3.813 2.387 1.00 1.00 N ATOM 524 CA ALA A 35 4.067 -3.282 1.632 1.00 1.00 C ATOM 525 C ALA A 35 4.741 -2.145 2.390 1.00 1.00 C ATOM 526 O ALA A 35 5.966 -2.106 2.501 1.00 1.00 O ATOM 527 CB ALA A 35 3.592 -2.780 0.272 1.00 1.00 C ATOM 0 H ALA A 35 2.058 -3.826 1.882 1.00 1.00 H new ATOM 0 HA ALA A 35 4.792 -4.084 1.490 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.440 -2.384 -0.286 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.144 -3.604 -0.284 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.851 -1.993 0.413 1.00 1.00 H new ATOM 533 N VAL A 36 3.936 -1.230 2.918 1.00 1.00 N ATOM 534 CA VAL A 36 4.481 -0.106 3.665 1.00 1.00 C ATOM 535 C VAL A 36 5.315 -0.615 4.834 1.00 1.00 C ATOM 536 O VAL A 36 6.414 -0.117 5.088 1.00 1.00 O ATOM 537 CB VAL A 36 3.347 0.801 4.172 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.907 1.766 5.229 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.743 1.589 2.983 1.00 1.00 C ATOM 0 H VAL A 36 2.919 -1.244 2.844 1.00 1.00 H new ATOM 0 HA VAL A 36 5.120 0.479 3.004 1.00 1.00 H new ATOM 0 HB VAL A 36 2.561 0.197 4.624 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.107 2.412 5.592 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.319 1.195 6.061 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.693 2.377 4.784 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.939 2.232 3.343 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.518 2.201 2.521 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.346 0.890 2.247 1.00 1.00 H new ATOM 549 N GLU A 37 4.795 -1.605 5.540 1.00 1.00 N ATOM 550 CA GLU A 37 5.516 -2.162 6.676 1.00 1.00 C ATOM 551 C GLU A 37 6.920 -2.592 6.259 1.00 1.00 C ATOM 552 O GLU A 37 7.905 -2.256 6.917 1.00 1.00 O ATOM 553 CB GLU A 37 4.761 -3.382 7.219 1.00 1.00 C ATOM 554 CG GLU A 37 5.120 -3.601 8.690 1.00 1.00 C ATOM 555 CD GLU A 37 4.498 -2.502 9.545 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.747 -1.709 9.001 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.781 -2.470 10.732 1.00 1.00 O ATOM 0 H GLU A 37 3.890 -2.036 5.352 1.00 1.00 H new ATOM 0 HA GLU A 37 5.590 -1.396 7.448 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.686 -3.232 7.116 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.016 -4.268 6.637 1.00 1.00 H new ATOM 0 HG2 GLU A 37 4.762 -4.576 9.019 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.203 -3.601 8.813 1.00 1.00 H new ATOM 564 N TYR A 38 7.002 -3.345 5.167 1.00 1.00 N ATOM 565 CA TYR A 38 8.301 -3.816 4.688 1.00 1.00 C ATOM 566 C TYR A 38 9.193 -2.648 4.293 1.00 1.00 C ATOM 567 O TYR A 38 10.401 -2.675 4.521 1.00 1.00 O ATOM 568 CB TYR A 38 8.137 -4.758 3.485 1.00 1.00 C ATOM 569 CG TYR A 38 7.756 -6.138 3.961 1.00 1.00 C ATOM 570 CD1 TYR A 38 8.756 -7.017 4.385 1.00 1.00 C ATOM 571 CD2 TYR A 38 6.418 -6.537 3.980 1.00 1.00 C ATOM 572 CE1 TYR A 38 8.419 -8.295 4.831 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.076 -7.818 4.426 1.00 1.00 C ATOM 574 CZ TYR A 38 7.078 -8.699 4.854 1.00 1.00 C ATOM 575 OH TYR A 38 6.745 -9.963 5.296 1.00 1.00 O ATOM 0 H TYR A 38 6.203 -3.639 4.605 1.00 1.00 H new ATOM 0 HA TYR A 38 8.769 -4.362 5.507 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.372 -4.372 2.812 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.067 -4.803 2.918 1.00 1.00 H new ATOM 0 HD1 TYR A 38 9.790 -6.707 4.367 1.00 1.00 H new ATOM 0 HD2 TYR A 38 5.647 -5.856 3.650 1.00 1.00 H new ATOM 0 HE1 TYR A 38 9.193 -8.974 5.159 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.041 -8.127 4.440 1.00 1.00 H new ATOM 0 HH TYR A 38 5.773 -10.081 5.248 1.00 1.00 H new ATOM 585 N PHE A 39 8.597 -1.629 3.695 1.00 1.00 N ATOM 586 CA PHE A 39 9.365 -0.466 3.271 1.00 1.00 C ATOM 587 C PHE A 39 10.035 0.198 4.475 1.00 1.00 C ATOM 588 O PHE A 39 11.239 0.480 4.456 1.00 1.00 O ATOM 589 CB PHE A 39 8.429 0.533 2.561 1.00 1.00 C ATOM 590 CG PHE A 39 8.314 0.194 1.083 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.449 0.272 0.272 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.084 -0.184 0.523 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.360 -0.029 -1.091 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.998 -0.485 -0.843 1.00 1.00 C ATOM 595 CZ PHE A 39 8.136 -0.408 -1.649 1.00 1.00 C ATOM 0 H PHE A 39 7.598 -1.581 3.494 1.00 1.00 H new ATOM 0 HA PHE A 39 10.145 -0.784 2.579 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.442 0.509 3.024 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.812 1.547 2.679 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.397 0.565 0.698 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.203 -0.243 1.145 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.240 0.032 -1.714 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.051 -0.777 -1.273 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.070 -0.641 -2.702 1.00 1.00 H new ATOM 605 N LEU A 40 9.250 0.434 5.517 1.00 1.00 N ATOM 606 CA LEU A 40 9.756 1.059 6.730 1.00 1.00 C ATOM 607 C LEU A 40 10.808 0.163 7.376 1.00 1.00 C ATOM 608 O LEU A 40 11.841 0.627 7.855 1.00 1.00 O ATOM 609 CB LEU A 40 8.596 1.290 7.702 1.00 1.00 C ATOM 610 CG LEU A 40 7.596 2.286 7.093 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.302 2.255 7.905 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.169 3.716 7.101 1.00 1.00 C ATOM 0 H LEU A 40 8.257 0.201 5.546 1.00 1.00 H new ATOM 0 HA LEU A 40 10.215 2.016 6.481 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.097 0.345 7.918 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.974 1.674 8.649 1.00 1.00 H new ATOM 0 HG LEU A 40 7.401 1.998 6.060 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.588 2.959 7.478 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.880 1.250 7.879 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.514 2.533 8.937 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.442 4.402 6.665 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.382 4.017 8.127 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.089 3.743 6.517 1.00 1.00 H new ATOM 624 N HIS A 41 10.557 -1.134 7.352 1.00 1.00 N ATOM 625 CA HIS A 41 11.499 -2.083 7.919 1.00 1.00 C ATOM 626 C HIS A 41 12.785 -2.116 7.095 1.00 1.00 C ATOM 627 O HIS A 41 13.846 -2.450 7.591 1.00 1.00 O ATOM 628 CB HIS A 41 10.875 -3.482 7.937 1.00 1.00 C ATOM 629 CG HIS A 41 11.699 -4.398 8.800 1.00 1.00 C ATOM 630 ND1 HIS A 41 11.298 -4.795 10.068 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.911 -5.002 8.585 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.256 -5.603 10.561 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.262 -5.761 9.697 1.00 1.00 N ATOM 0 H HIS A 41 9.718 -1.551 6.950 1.00 1.00 H new ATOM 0 HA HIS A 41 11.736 -1.771 8.936 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.855 -3.430 8.317 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.818 -3.877 6.923 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.504 -4.903 7.688 1.00 1.00 H new ATOM 0 HE1 HIS A 41 12.216 -6.066 11.536 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.107 -6.319 9.825 1.00 1.00 H new ATOM 642 N ALA A 42 12.685 -1.789 5.827 1.00 1.00 N ATOM 643 CA ALA A 42 13.850 -1.808 4.963 1.00 1.00 C ATOM 644 C ALA A 42 14.784 -0.653 5.269 1.00 1.00 C ATOM 645 O ALA A 42 15.968 -0.848 5.433 1.00 1.00 O ATOM 646 CB ALA A 42 13.412 -1.734 3.502 1.00 1.00 C ATOM 0 H ALA A 42 11.817 -1.508 5.371 1.00 1.00 H new ATOM 0 HA ALA A 42 14.387 -2.740 5.143 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.291 -1.749 2.857 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.777 -2.589 3.269 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.855 -0.812 3.335 1.00 1.00 H new ATOM 652 N ILE A 43 14.240 0.541 5.387 1.00 1.00 N ATOM 653 CA ILE A 43 15.066 1.708 5.690 1.00 1.00 C ATOM 654 C ILE A 43 15.667 1.651 7.101 1.00 1.00 C ATOM 655 O ILE A 43 16.773 2.152 7.318 1.00 1.00 O ATOM 656 CB ILE A 43 14.236 2.980 5.547 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.901 2.783 6.240 1.00 1.00 C ATOM 658 CG2 ILE A 43 14.004 3.289 4.067 1.00 1.00 C ATOM 659 CD1 ILE A 43 12.099 4.081 6.223 1.00 1.00 C ATOM 0 H ILE A 43 13.244 0.735 5.281 1.00 1.00 H new ATOM 0 HA ILE A 43 15.892 1.710 4.979 1.00 1.00 H new ATOM 0 HB ILE A 43 14.770 3.814 6.003 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.338 1.993 5.742 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.062 2.460 7.269 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.411 4.199 3.974 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.964 3.429 3.570 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.472 2.460 3.601 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.143 3.925 6.724 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.657 4.860 6.742 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.923 4.386 5.192 1.00 1.00 H new ATOM 671 N LYS A 44 14.942 1.055 8.055 1.00 1.00 N ATOM 672 CA LYS A 44 15.444 0.973 9.434 1.00 1.00 C ATOM 673 C LYS A 44 16.398 -0.174 9.658 1.00 1.00 C ATOM 674 O LYS A 44 17.439 -0.015 10.299 1.00 1.00 O ATOM 675 CB LYS A 44 14.307 0.781 10.417 1.00 1.00 C ATOM 676 CG LYS A 44 13.375 1.931 10.298 1.00 1.00 C ATOM 677 CD LYS A 44 12.272 1.813 11.331 1.00 1.00 C ATOM 678 CE LYS A 44 11.239 2.908 11.092 1.00 1.00 C ATOM 679 NZ LYS A 44 10.395 3.077 12.308 1.00 1.00 N ATOM 0 H LYS A 44 14.027 0.631 7.905 1.00 1.00 H new ATOM 0 HA LYS A 44 15.966 1.917 9.594 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.783 -0.153 10.211 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.694 0.712 11.434 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.918 2.866 10.439 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.945 1.959 9.297 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.801 0.832 11.266 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.687 1.902 12.335 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.739 3.846 10.851 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.614 2.651 10.237 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.692 3.825 12.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 9.907 2.183 12.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 10.997 3.341 13.114 1.00 1.00 H new ATOM 693 N TYR A 45 16.004 -1.349 9.190 1.00 1.00 N ATOM 694 CA TYR A 45 16.812 -2.537 9.416 1.00 1.00 C ATOM 695 C TYR A 45 17.964 -2.648 8.427 1.00 1.00 C ATOM 696 O TYR A 45 18.977 -3.284 8.723 1.00 1.00 O ATOM 697 CB TYR A 45 15.969 -3.822 9.354 1.00 1.00 C ATOM 698 CG TYR A 45 14.991 -3.848 10.511 1.00 1.00 C ATOM 699 CD1 TYR A 45 13.962 -2.914 10.556 1.00 1.00 C ATOM 700 CD2 TYR A 45 15.123 -4.790 11.539 1.00 1.00 C ATOM 701 CE1 TYR A 45 13.056 -2.902 11.613 1.00 1.00 C ATOM 702 CE2 TYR A 45 14.217 -4.788 12.607 1.00 1.00 C ATOM 703 CZ TYR A 45 13.182 -3.841 12.646 1.00 1.00 C ATOM 704 OH TYR A 45 12.288 -3.840 13.694 1.00 1.00 O ATOM 0 H TYR A 45 15.146 -1.504 8.661 1.00 1.00 H new ATOM 0 HA TYR A 45 17.224 -2.428 10.419 1.00 1.00 H new ATOM 0 HB2 TYR A 45 15.429 -3.869 8.408 1.00 1.00 H new ATOM 0 HB3 TYR A 45 16.618 -4.697 9.394 1.00 1.00 H new ATOM 0 HD1 TYR A 45 13.864 -2.189 9.761 1.00 1.00 H new ATOM 0 HD2 TYR A 45 15.922 -5.516 11.508 1.00 1.00 H new ATOM 0 HE1 TYR A 45 12.260 -2.173 11.637 1.00 1.00 H new ATOM 0 HE2 TYR A 45 14.315 -5.515 13.400 1.00 1.00 H new ATOM 0 HH TYR A 45 12.519 -4.556 14.322 1.00 1.00 H new ATOM 714 N GLU A 46 17.816 -2.047 7.245 1.00 1.00 N ATOM 715 CA GLU A 46 18.878 -2.125 6.237 1.00 1.00 C ATOM 716 C GLU A 46 19.944 -1.061 6.472 1.00 1.00 C ATOM 717 O GLU A 46 20.669 -1.105 7.465 1.00 1.00 O ATOM 718 CB GLU A 46 18.278 -1.970 4.833 1.00 1.00 C ATOM 719 CG GLU A 46 17.192 -3.034 4.630 1.00 1.00 C ATOM 720 CD GLU A 46 17.834 -4.387 4.324 1.00 1.00 C ATOM 721 OE1 GLU A 46 18.983 -4.401 3.910 1.00 1.00 O ATOM 722 OE2 GLU A 46 17.171 -5.392 4.517 1.00 1.00 O ATOM 0 H GLU A 46 16.993 -1.513 6.965 1.00 1.00 H new ATOM 0 HA GLU A 46 19.355 -3.102 6.321 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.854 -0.973 4.713 1.00 1.00 H new ATOM 0 HB3 GLU A 46 19.056 -2.078 4.078 1.00 1.00 H new ATOM 0 HG2 GLU A 46 16.574 -3.110 5.525 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.534 -2.742 3.812 1.00 1.00 H new ATOM 729 N ALA A 47 20.023 -0.110 5.549 1.00 1.00 N ATOM 730 CA ALA A 47 20.988 0.984 5.632 1.00 1.00 C ATOM 731 C ALA A 47 21.207 1.598 4.247 1.00 1.00 C ATOM 732 O ALA A 47 22.309 1.544 3.701 1.00 1.00 O ATOM 733 CB ALA A 47 22.325 0.472 6.197 1.00 1.00 C ATOM 0 H ALA A 47 19.424 -0.074 4.725 1.00 1.00 H new ATOM 0 HA ALA A 47 20.593 1.749 6.301 1.00 1.00 H new ATOM 0 HB1 ALA A 47 23.036 1.297 6.254 1.00 1.00 H new ATOM 0 HB2 ALA A 47 22.165 0.061 7.194 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.722 -0.305 5.544 1.00 1.00 H new ATOM 739 N HIS A 48 20.155 2.181 3.680 1.00 1.00 N ATOM 740 CA HIS A 48 20.257 2.800 2.360 1.00 1.00 C ATOM 741 C HIS A 48 20.822 4.214 2.481 1.00 1.00 C ATOM 742 O HIS A 48 21.451 4.553 3.483 1.00 1.00 O ATOM 743 CB HIS A 48 18.877 2.835 1.698 1.00 1.00 C ATOM 744 CG HIS A 48 18.389 1.434 1.483 1.00 1.00 C ATOM 745 ND1 HIS A 48 18.794 0.668 0.402 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.524 0.651 2.197 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.174 -0.521 0.496 1.00 1.00 C ATOM 748 NE2 HIS A 48 17.387 -0.585 1.574 1.00 1.00 N ATOM 0 H HIS A 48 19.231 2.238 4.107 1.00 1.00 H new ATOM 0 HA HIS A 48 20.933 2.210 1.742 1.00 1.00 H new ATOM 0 HB2 HIS A 48 18.175 3.384 2.326 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.932 3.362 0.746 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.023 0.948 3.107 1.00 1.00 H new ATOM 0 HE1 HIS A 48 18.297 -1.326 -0.213 1.00 1.00 H new ATOM 0 HE2 HIS A 48 16.810 -1.371 1.875 1.00 1.00 H new ATOM 757 N SER A 49 20.608 5.034 1.451 1.00 1.00 N ATOM 758 CA SER A 49 21.104 6.413 1.455 1.00 1.00 C ATOM 759 C SER A 49 19.965 7.382 1.754 1.00 1.00 C ATOM 760 O SER A 49 18.797 6.994 1.772 1.00 1.00 O ATOM 761 CB SER A 49 21.729 6.748 0.098 1.00 1.00 C ATOM 762 OG SER A 49 22.658 7.813 0.257 1.00 1.00 O ATOM 0 H SER A 49 20.098 4.771 0.608 1.00 1.00 H new ATOM 0 HA SER A 49 21.863 6.510 2.231 1.00 1.00 H new ATOM 0 HB2 SER A 49 22.231 5.871 -0.310 1.00 1.00 H new ATOM 0 HB3 SER A 49 20.953 7.031 -0.613 1.00 1.00 H new ATOM 0 HG SER A 49 23.449 7.642 -0.295 1.00 1.00 H new ATOM 768 N ASP A 50 20.308 8.642 1.988 1.00 1.00 N ATOM 769 CA ASP A 50 19.303 9.652 2.291 1.00 1.00 C ATOM 770 C ASP A 50 18.327 9.798 1.129 1.00 1.00 C ATOM 771 O ASP A 50 17.132 10.005 1.335 1.00 1.00 O ATOM 772 CB ASP A 50 19.987 10.996 2.558 1.00 1.00 C ATOM 773 CG ASP A 50 20.695 10.965 3.909 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.403 10.076 4.692 1.00 1.00 O ATOM 775 OD2 ASP A 50 21.523 11.831 4.142 1.00 1.00 O ATOM 0 H ASP A 50 21.268 8.987 1.974 1.00 1.00 H new ATOM 0 HA ASP A 50 18.750 9.340 3.177 1.00 1.00 H new ATOM 0 HB2 ASP A 50 20.706 11.211 1.767 1.00 1.00 H new ATOM 0 HB3 ASP A 50 19.249 11.798 2.544 1.00 1.00 H new ATOM 780 N LYS A 51 18.843 9.685 -0.087 1.00 1.00 N ATOM 781 CA LYS A 51 17.999 9.800 -1.268 1.00 1.00 C ATOM 782 C LYS A 51 16.997 8.651 -1.314 1.00 1.00 C ATOM 783 O LYS A 51 15.797 8.856 -1.531 1.00 1.00 O ATOM 784 CB LYS A 51 18.870 9.779 -2.530 1.00 1.00 C ATOM 785 CG LYS A 51 19.819 11.007 -2.550 1.00 1.00 C ATOM 786 CD LYS A 51 21.256 10.593 -2.160 1.00 1.00 C ATOM 787 CE LYS A 51 21.895 9.715 -3.256 1.00 1.00 C ATOM 788 NZ LYS A 51 21.851 8.287 -2.828 1.00 1.00 N ATOM 0 H LYS A 51 19.830 9.516 -0.281 1.00 1.00 H new ATOM 0 HA LYS A 51 17.453 10.742 -1.221 1.00 1.00 H new ATOM 0 HB2 LYS A 51 19.454 8.859 -2.562 1.00 1.00 H new ATOM 0 HB3 LYS A 51 18.237 9.786 -3.417 1.00 1.00 H new ATOM 0 HG2 LYS A 51 19.821 11.455 -3.544 1.00 1.00 H new ATOM 0 HG3 LYS A 51 19.454 11.767 -1.859 1.00 1.00 H new ATOM 0 HD2 LYS A 51 21.864 11.483 -2.002 1.00 1.00 H new ATOM 0 HD3 LYS A 51 21.238 10.047 -1.217 1.00 1.00 H new ATOM 0 HE2 LYS A 51 21.361 9.842 -4.198 1.00 1.00 H new ATOM 0 HE3 LYS A 51 22.926 10.023 -3.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 22.554 7.741 -3.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 22.066 8.222 -1.813 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 20.902 7.900 -3.006 1.00 1.00 H new ATOM 802 N ALA A 52 17.489 7.443 -1.075 1.00 1.00 N ATOM 803 CA ALA A 52 16.625 6.277 -1.069 1.00 1.00 C ATOM 804 C ALA A 52 15.574 6.421 0.023 1.00 1.00 C ATOM 805 O ALA A 52 14.386 6.326 -0.234 1.00 1.00 O ATOM 806 CB ALA A 52 17.462 5.050 -0.760 1.00 1.00 C ATOM 0 H ALA A 52 18.472 7.248 -0.885 1.00 1.00 H new ATOM 0 HA ALA A 52 16.141 6.182 -2.041 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.824 4.167 -0.753 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.233 4.934 -1.522 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.932 5.166 0.217 1.00 1.00 H new ATOM 812 N LYS A 53 16.035 6.663 1.249 1.00 1.00 N ATOM 813 CA LYS A 53 15.118 6.800 2.377 1.00 1.00 C ATOM 814 C LYS A 53 14.011 7.785 2.035 1.00 1.00 C ATOM 815 O LYS A 53 12.832 7.480 2.199 1.00 1.00 O ATOM 816 CB LYS A 53 15.875 7.274 3.648 1.00 1.00 C ATOM 817 CG LYS A 53 16.166 6.091 4.589 1.00 1.00 C ATOM 818 CD LYS A 53 17.385 5.286 4.096 1.00 1.00 C ATOM 819 CE LYS A 53 18.637 5.700 4.873 1.00 1.00 C ATOM 820 NZ LYS A 53 18.899 7.148 4.654 1.00 1.00 N ATOM 0 H LYS A 53 17.022 6.767 1.484 1.00 1.00 H new ATOM 0 HA LYS A 53 14.678 5.824 2.581 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.811 7.754 3.361 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.281 8.023 4.172 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.352 6.460 5.598 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.293 5.441 4.644 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.203 4.219 4.226 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.536 5.456 3.030 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.501 5.501 5.936 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.493 5.111 4.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.918 7.335 4.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.585 7.417 3.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 18.378 7.706 5.360 1.00 1.00 H new ATOM 834 N GLU A 54 14.386 8.957 1.560 1.00 1.00 N ATOM 835 CA GLU A 54 13.392 9.951 1.210 1.00 1.00 C ATOM 836 C GLU A 54 12.380 9.349 0.257 1.00 1.00 C ATOM 837 O GLU A 54 11.178 9.583 0.386 1.00 1.00 O ATOM 838 CB GLU A 54 14.074 11.149 0.556 1.00 1.00 C ATOM 839 CG GLU A 54 14.749 11.993 1.632 1.00 1.00 C ATOM 840 CD GLU A 54 15.509 13.145 0.991 1.00 1.00 C ATOM 841 OE1 GLU A 54 15.445 13.269 -0.221 1.00 1.00 O ATOM 842 OE2 GLU A 54 16.146 13.889 1.719 1.00 1.00 O ATOM 0 H GLU A 54 15.354 9.241 1.410 1.00 1.00 H new ATOM 0 HA GLU A 54 12.878 10.281 2.113 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.811 10.810 -0.172 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.342 11.748 0.014 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.001 12.380 2.324 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.433 11.375 2.215 1.00 1.00 H new ATOM 849 N SER A 55 12.860 8.567 -0.691 1.00 1.00 N ATOM 850 CA SER A 55 11.957 7.943 -1.638 1.00 1.00 C ATOM 851 C SER A 55 10.992 6.999 -0.924 1.00 1.00 C ATOM 852 O SER A 55 9.799 6.968 -1.233 1.00 1.00 O ATOM 853 CB SER A 55 12.738 7.168 -2.700 1.00 1.00 C ATOM 854 OG SER A 55 11.825 6.596 -3.624 1.00 1.00 O ATOM 0 H SER A 55 13.848 8.352 -0.825 1.00 1.00 H new ATOM 0 HA SER A 55 11.386 8.734 -2.124 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.430 7.833 -3.218 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.337 6.387 -2.231 1.00 1.00 H new ATOM 0 HG SER A 55 12.320 6.099 -4.308 1.00 1.00 H new ATOM 860 N ILE A 56 11.520 6.210 0.012 1.00 1.00 N ATOM 861 CA ILE A 56 10.696 5.248 0.732 1.00 1.00 C ATOM 862 C ILE A 56 9.690 5.965 1.632 1.00 1.00 C ATOM 863 O ILE A 56 8.524 5.602 1.682 1.00 1.00 O ATOM 864 CB ILE A 56 11.579 4.345 1.609 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.777 3.797 0.813 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.755 3.164 2.121 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.328 3.273 -0.543 1.00 1.00 C ATOM 0 H ILE A 56 12.503 6.219 0.285 1.00 1.00 H new ATOM 0 HA ILE A 56 10.162 4.647 -0.005 1.00 1.00 H new ATOM 0 HB ILE A 56 11.950 4.944 2.441 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.520 4.583 0.677 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.259 2.998 1.376 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.382 2.525 2.742 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.917 3.534 2.711 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.378 2.590 1.275 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.190 2.890 -1.089 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.603 2.471 -0.401 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.868 4.081 -1.111 1.00 1.00 H new ATOM 879 N ARG A 57 10.170 6.967 2.358 1.00 1.00 N ATOM 880 CA ARG A 57 9.305 7.710 3.268 1.00 1.00 C ATOM 881 C ARG A 57 8.188 8.388 2.483 1.00 1.00 C ATOM 882 O ARG A 57 7.002 8.163 2.737 1.00 1.00 O ATOM 883 CB ARG A 57 10.118 8.764 4.016 1.00 1.00 C ATOM 884 CG ARG A 57 11.137 8.069 4.919 1.00 1.00 C ATOM 885 CD ARG A 57 11.877 9.118 5.754 1.00 1.00 C ATOM 886 NE ARG A 57 12.890 8.483 6.590 1.00 1.00 N ATOM 887 CZ ARG A 57 13.496 9.153 7.566 1.00 1.00 C ATOM 888 NH1 ARG A 57 13.189 10.401 7.790 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.400 8.563 8.299 1.00 1.00 N ATOM 0 H ARG A 57 11.140 7.281 2.336 1.00 1.00 H new ATOM 0 HA ARG A 57 8.870 7.016 3.987 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.628 9.417 3.308 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.458 9.394 4.611 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.634 7.357 5.573 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.846 7.502 4.316 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.346 9.850 5.097 1.00 1.00 H new ATOM 0 HD3 ARG A 57 11.168 9.660 6.380 1.00 1.00 H new ATOM 0 HE ARG A 57 13.138 7.508 6.423 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.484 10.864 7.216 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.654 10.914 8.539 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.642 7.588 8.123 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.865 9.077 9.047 1.00 1.00 H new ATOM 903 N ALA A 58 8.569 9.226 1.531 1.00 1.00 N ATOM 904 CA ALA A 58 7.587 9.935 0.729 1.00 1.00 C ATOM 905 C ALA A 58 6.572 8.954 0.150 1.00 1.00 C ATOM 906 O ALA A 58 5.358 9.132 0.292 1.00 1.00 O ATOM 907 CB ALA A 58 8.294 10.678 -0.408 1.00 1.00 C ATOM 0 H ALA A 58 9.541 9.430 1.297 1.00 1.00 H new ATOM 0 HA ALA A 58 7.063 10.652 1.361 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.556 11.210 -1.009 1.00 1.00 H new ATOM 0 HB2 ALA A 58 9.004 11.392 0.010 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.826 9.962 -1.035 1.00 1.00 H new ATOM 913 N LYS A 59 7.072 7.913 -0.497 1.00 1.00 N ATOM 914 CA LYS A 59 6.194 6.918 -1.088 1.00 1.00 C ATOM 915 C LYS A 59 5.364 6.218 -0.025 1.00 1.00 C ATOM 916 O LYS A 59 4.176 5.966 -0.221 1.00 1.00 O ATOM 917 CB LYS A 59 7.020 5.903 -1.883 1.00 1.00 C ATOM 918 CG LYS A 59 7.522 6.539 -3.209 1.00 1.00 C ATOM 919 CD LYS A 59 6.931 5.804 -4.427 1.00 1.00 C ATOM 920 CE LYS A 59 5.450 6.131 -4.610 1.00 1.00 C ATOM 921 NZ LYS A 59 5.343 7.361 -5.434 1.00 1.00 N ATOM 0 H LYS A 59 8.068 7.737 -0.625 1.00 1.00 H new ATOM 0 HA LYS A 59 5.505 7.424 -1.765 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.869 5.568 -1.287 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.416 5.022 -2.100 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.240 7.591 -3.242 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.611 6.499 -3.247 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.481 6.085 -5.325 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.055 4.728 -4.300 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.935 5.302 -5.096 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.971 6.280 -3.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.519 7.915 -5.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 6.206 7.931 -5.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.230 7.100 -6.434 1.00 1.00 H new ATOM 935 N CYS A 60 5.993 5.897 1.093 1.00 1.00 N ATOM 936 CA CYS A 60 5.296 5.212 2.168 1.00 1.00 C ATOM 937 C CYS A 60 4.023 5.983 2.495 1.00 1.00 C ATOM 938 O CYS A 60 2.977 5.390 2.762 1.00 1.00 O ATOM 939 CB CYS A 60 6.202 5.112 3.400 1.00 1.00 C ATOM 940 SG CYS A 60 7.237 3.633 3.259 1.00 1.00 S ATOM 0 H CYS A 60 6.976 6.097 1.279 1.00 1.00 H new ATOM 0 HA CYS A 60 5.035 4.200 1.859 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.827 6.002 3.480 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.599 5.063 4.307 1.00 1.00 H new ATOM 0 HG CYS A 60 8.102 3.798 2.303 1.00 1.00 H new ATOM 946 N VAL A 61 4.107 7.305 2.429 1.00 1.00 N ATOM 947 CA VAL A 61 2.933 8.131 2.676 1.00 1.00 C ATOM 948 C VAL A 61 1.911 7.916 1.562 1.00 1.00 C ATOM 949 O VAL A 61 0.726 7.738 1.824 1.00 1.00 O ATOM 950 CB VAL A 61 3.320 9.605 2.736 1.00 1.00 C ATOM 951 CG1 VAL A 61 2.067 10.459 2.924 1.00 1.00 C ATOM 952 CG2 VAL A 61 4.273 9.816 3.907 1.00 1.00 C ATOM 0 H VAL A 61 4.959 7.821 2.211 1.00 1.00 H new ATOM 0 HA VAL A 61 2.498 7.843 3.633 1.00 1.00 H new ATOM 0 HB VAL A 61 3.809 9.898 1.807 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.347 11.512 2.966 1.00 1.00 H new ATOM 0 HG12 VAL A 61 1.388 10.298 2.087 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.571 10.178 3.853 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.557 10.867 3.960 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.779 9.526 4.835 1.00 1.00 H new ATOM 0 HG23 VAL A 61 5.165 9.206 3.765 1.00 1.00 H new ATOM 962 N GLN A 62 2.383 7.940 0.313 1.00 1.00 N ATOM 963 CA GLN A 62 1.483 7.755 -0.829 1.00 1.00 C ATOM 964 C GLN A 62 0.683 6.464 -0.678 1.00 1.00 C ATOM 965 O GLN A 62 -0.550 6.456 -0.807 1.00 1.00 O ATOM 966 CB GLN A 62 2.296 7.680 -2.128 1.00 1.00 C ATOM 967 CG GLN A 62 3.191 8.913 -2.235 1.00 1.00 C ATOM 968 CD GLN A 62 4.035 8.874 -3.493 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.526 8.600 -4.577 1.00 1.00 O ATOM 970 NE2 GLN A 62 5.302 9.167 -3.403 1.00 1.00 N ATOM 0 H GLN A 62 3.363 8.083 0.069 1.00 1.00 H new ATOM 0 HA GLN A 62 0.799 8.603 -0.864 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.902 6.774 -2.139 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.627 7.626 -2.987 1.00 1.00 H new ATOM 0 HG2 GLN A 62 2.576 9.813 -2.235 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.840 8.971 -1.361 1.00 1.00 H new ATOM 0 HE21 GLN A 62 5.710 9.392 -2.496 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.885 9.171 -4.240 1.00 1.00 H new ATOM 979 N TYR A 63 1.389 5.372 -0.397 1.00 1.00 N ATOM 980 CA TYR A 63 0.739 4.080 -0.230 1.00 1.00 C ATOM 981 C TYR A 63 -0.212 4.102 0.955 1.00 1.00 C ATOM 982 O TYR A 63 -1.363 3.670 0.848 1.00 1.00 O ATOM 983 CB TYR A 63 1.794 2.978 -0.030 1.00 1.00 C ATOM 984 CG TYR A 63 2.761 2.930 -1.208 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.288 2.958 -2.528 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.141 2.866 -0.971 1.00 1.00 C ATOM 987 CE1 TYR A 63 3.183 2.929 -3.600 1.00 1.00 C ATOM 988 CE2 TYR A 63 5.037 2.838 -2.046 1.00 1.00 C ATOM 989 CZ TYR A 63 4.557 2.873 -3.361 1.00 1.00 C ATOM 990 OH TYR A 63 5.437 2.852 -4.422 1.00 1.00 O ATOM 0 H TYR A 63 2.402 5.357 -0.281 1.00 1.00 H new ATOM 0 HA TYR A 63 0.165 3.869 -1.132 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.346 3.161 0.892 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.301 2.012 0.080 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.226 3.002 -2.717 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.513 2.838 0.042 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.812 2.950 -4.614 1.00 1.00 H new ATOM 0 HE2 TYR A 63 6.100 2.789 -1.861 1.00 1.00 H new ATOM 0 HH TYR A 63 4.976 3.146 -5.235 1.00 1.00 H new ATOM 1000 N LEU A 64 0.267 4.595 2.085 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.579 4.637 3.263 1.00 1.00 C ATOM 1002 C LEU A 64 -1.811 5.484 3.000 1.00 1.00 C ATOM 1003 O LEU A 64 -2.920 5.071 3.313 1.00 1.00 O ATOM 1004 CB LEU A 64 0.202 5.195 4.460 1.00 1.00 C ATOM 1005 CG LEU A 64 0.839 4.055 5.264 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.912 4.637 6.187 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.229 3.311 6.100 1.00 1.00 C ATOM 0 H LEU A 64 1.210 4.962 2.210 1.00 1.00 H new ATOM 0 HA LEU A 64 -0.898 3.621 3.496 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.976 5.878 4.110 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.466 5.771 5.101 1.00 1.00 H new ATOM 0 HG LEU A 64 1.289 3.340 4.575 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.371 3.834 6.763 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.675 5.136 5.589 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.456 5.356 6.867 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.245 2.506 6.662 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.700 4.009 6.792 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.985 2.893 5.435 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.632 6.667 2.437 1.00 1.00 N ATOM 1020 CA ASP A 65 -2.760 7.535 2.172 1.00 1.00 C ATOM 1021 C ASP A 65 -3.826 6.781 1.405 1.00 1.00 C ATOM 1022 O ASP A 65 -5.015 6.861 1.729 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.270 8.729 1.354 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.401 9.724 1.130 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -3.888 10.266 2.107 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.758 9.936 -0.018 1.00 1.00 O ATOM 0 H ASP A 65 -0.726 7.043 2.158 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.193 7.881 3.111 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.445 9.218 1.872 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -1.885 8.386 0.394 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.401 6.035 0.399 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.351 5.266 -0.377 1.00 1.00 C ATOM 1033 C ARG A 66 -5.042 4.247 0.532 1.00 1.00 C ATOM 1034 O ARG A 66 -6.250 4.043 0.458 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.626 4.566 -1.518 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.114 5.609 -2.528 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.255 6.142 -3.403 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.008 5.033 -3.965 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.107 5.240 -4.673 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.532 6.458 -4.878 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.761 4.225 -5.165 1.00 1.00 N ATOM 0 H ARG A 66 -2.427 5.948 0.107 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.108 5.927 -0.800 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.791 3.984 -1.128 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.299 3.866 -2.014 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.645 6.436 -1.994 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.347 5.161 -3.160 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -4.914 6.776 -2.810 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -3.852 6.762 -4.204 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.684 4.078 -3.811 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.017 7.250 -4.493 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.379 6.618 -5.424 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.425 3.275 -5.004 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.608 4.381 -5.711 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.264 3.593 1.376 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.820 2.597 2.281 1.00 1.00 C ATOM 1057 C ALA A 67 -5.834 3.244 3.228 1.00 1.00 C ATOM 1058 O ALA A 67 -6.850 2.641 3.571 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.688 1.951 3.091 1.00 1.00 C ATOM 0 H ALA A 67 -3.256 3.729 1.456 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.330 1.832 1.695 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.105 1.206 3.768 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.983 1.471 2.412 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.171 2.717 3.669 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.552 4.472 3.643 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.437 5.192 4.546 1.00 1.00 C ATOM 1067 C GLU A 68 -7.790 5.457 3.910 1.00 1.00 C ATOM 1068 O GLU A 68 -8.821 5.103 4.473 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.801 6.528 4.929 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.598 6.280 5.833 1.00 1.00 C ATOM 1071 CD GLU A 68 -3.908 7.602 6.148 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.423 8.629 5.738 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -2.874 7.570 6.796 1.00 1.00 O ATOM 0 H GLU A 68 -4.717 4.989 3.368 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.586 4.572 5.430 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.491 7.065 4.033 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.530 7.156 5.441 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.919 5.798 6.756 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -3.898 5.601 5.345 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.789 6.088 2.743 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.044 6.392 2.075 1.00 1.00 C ATOM 1082 C LYS A 69 -9.791 5.100 1.736 1.00 1.00 C ATOM 1083 O LYS A 69 -11.030 5.051 1.794 1.00 1.00 O ATOM 1084 CB LYS A 69 -8.787 7.203 0.797 1.00 1.00 C ATOM 1085 CG LYS A 69 -7.961 6.365 -0.161 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.621 7.163 -1.426 1.00 1.00 C ATOM 1087 CE LYS A 69 -8.901 7.637 -2.127 1.00 1.00 C ATOM 1088 NZ LYS A 69 -9.308 8.950 -1.558 1.00 1.00 N ATOM 0 H LYS A 69 -6.951 6.393 2.249 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.659 6.988 2.749 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -9.732 7.484 0.333 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.262 8.128 1.037 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.042 6.043 0.329 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.511 5.464 -0.431 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.003 8.022 -1.165 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.035 6.544 -2.106 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -8.731 7.728 -3.200 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.697 6.905 -1.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -10.250 8.864 -1.126 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.621 9.243 -0.834 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -9.338 9.662 -2.315 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.034 4.057 1.365 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.647 2.784 0.998 1.00 1.00 C ATOM 1104 C LEU A 70 -10.420 2.221 2.169 1.00 1.00 C ATOM 1105 O LEU A 70 -11.600 1.865 2.047 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.572 1.777 0.536 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.130 2.105 -0.908 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.756 1.492 -1.194 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.138 1.537 -1.923 1.00 1.00 C ATOM 0 H LEU A 70 -8.015 4.073 1.313 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.336 2.958 0.171 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.713 1.816 1.206 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.968 0.762 0.583 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.082 3.190 -1.005 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.456 1.731 -2.215 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.024 1.899 -0.496 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.808 0.410 -1.075 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.811 1.778 -2.934 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.199 0.455 -1.809 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.120 1.976 -1.745 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.773 2.199 3.306 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.380 1.727 4.531 1.00 1.00 C ATOM 1123 C LYS A 71 -11.440 2.708 5.045 1.00 1.00 C ATOM 1124 O LYS A 71 -12.340 2.318 5.792 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.312 1.537 5.603 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.920 0.768 6.775 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.835 0.395 7.787 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.108 1.655 8.259 1.00 1.00 C ATOM 1129 NZ LYS A 71 -9.102 2.742 8.484 1.00 1.00 N ATOM 0 H LYS A 71 -8.807 2.508 3.412 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.865 0.775 4.315 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.461 0.992 5.195 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.939 2.504 5.939 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.685 1.375 7.259 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.412 -0.134 6.411 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.281 -0.119 8.639 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.125 -0.297 7.334 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.561 1.450 9.180 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.374 1.966 7.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -8.709 3.440 9.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.318 3.208 7.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -9.974 2.338 8.882 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.320 3.980 4.652 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.260 5.010 5.097 1.00 1.00 C ATOM 1145 C ASP A 72 -13.660 4.803 4.560 1.00 1.00 C ATOM 1146 O ASP A 72 -14.630 4.722 5.332 1.00 1.00 O ATOM 1147 CB ASP A 72 -11.750 6.363 4.583 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.430 7.502 5.332 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.300 7.217 6.146 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.080 8.642 5.081 1.00 1.00 O ATOM 0 H ASP A 72 -10.585 4.318 4.030 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.314 4.965 6.185 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.670 6.426 4.714 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -11.947 6.452 3.515 1.00 1.00 H new ATOM 1155 N TYR A 73 -13.780 4.721 3.237 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.110 4.534 2.644 1.00 1.00 C ATOM 1157 C TYR A 73 -15.540 3.084 2.781 1.00 1.00 C ATOM 1158 O TYR A 73 -16.720 2.791 2.879 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.170 4.984 1.184 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.450 4.015 0.301 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.070 2.817 -0.047 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.170 4.308 -0.173 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.420 1.903 -0.866 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.520 3.396 -0.998 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.140 2.192 -1.345 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.490 1.288 -2.147 1.00 1.00 O ATOM 0 H TYR A 73 -13.008 4.778 2.573 1.00 1.00 H new ATOM 0 HA TYR A 73 -15.805 5.169 3.193 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.209 5.069 0.867 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.725 5.974 1.085 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.061 2.598 0.322 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.688 5.236 0.099 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.902 0.973 -1.131 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.532 3.619 -1.372 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.867 0.395 -2.005 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.570 2.174 2.813 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.890 0.755 2.969 1.00 1.00 C ATOM 1178 C LEU A 74 -15.630 0.534 4.286 1.00 1.00 C ATOM 1179 O LEU A 74 -16.670 -0.123 4.329 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.600 -0.075 2.971 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.160 -0.407 1.539 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.710 -0.969 1.551 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.150 -1.427 0.915 1.00 1.00 C ATOM 0 H LEU A 74 -13.575 2.385 2.735 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.522 0.443 2.137 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.809 0.476 3.480 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.757 -0.997 3.530 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.169 0.498 0.931 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.402 -1.203 0.532 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.035 -0.224 1.972 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.676 -1.874 2.158 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.837 -1.662 -0.102 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.158 -2.339 1.512 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.151 -0.997 0.896 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.090 1.080 5.359 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.730 0.927 6.647 1.00 1.00 C ATOM 1197 C ARG A 75 -17.030 1.714 6.683 1.00 1.00 C ATOM 1198 O ARG A 75 -18.040 1.234 7.193 1.00 1.00 O ATOM 1199 CB ARG A 75 -14.780 1.382 7.760 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.530 1.368 9.094 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.540 1.591 10.239 1.00 1.00 C ATOM 1202 NE ARG A 75 -15.250 1.597 11.514 1.00 1.00 N ATOM 1203 CZ ARG A 75 -15.530 0.463 12.153 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -15.190 -0.682 11.632 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -16.160 0.495 13.298 1.00 1.00 N ATOM 0 H ARG A 75 -14.227 1.623 5.364 1.00 1.00 H new ATOM 0 HA ARG A 75 -15.967 -0.125 6.808 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.914 0.722 7.808 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.406 2.384 7.549 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.293 2.146 9.102 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -16.044 0.416 9.224 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -13.785 0.805 10.237 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -14.016 2.537 10.100 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.537 2.486 11.923 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -14.709 -0.710 10.733 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -15.405 -1.550 12.123 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -16.438 1.389 13.703 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -16.374 -0.374 13.787 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.888 2.875 -7.269 1.00 1.00 N ATOM 1221 CA ILE B 168 15.599 2.570 -6.642 1.00 1.00 C ATOM 1222 C ILE B 168 14.469 3.103 -7.496 1.00 1.00 C ATOM 1223 O ILE B 168 14.371 4.308 -7.727 1.00 1.00 O ATOM 1224 CB ILE B 168 15.531 3.194 -5.245 1.00 1.00 C ATOM 1225 CG1 ILE B 168 16.531 2.476 -4.357 1.00 1.00 C ATOM 1226 CG2 ILE B 168 14.126 3.036 -4.648 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.641 3.174 -3.012 1.00 1.00 C ATOM 0 HA ILE B 168 15.500 1.488 -6.553 1.00 1.00 H new ATOM 0 HB ILE B 168 15.761 4.257 -5.312 1.00 1.00 H new ATOM 0 HG12 ILE B 168 16.221 1.441 -4.213 1.00 1.00 H new ATOM 0 HG13 ILE B 168 17.507 2.452 -4.842 1.00 1.00 H new ATOM 0 HG21 ILE B 168 14.100 3.486 -3.656 1.00 1.00 H new ATOM 0 HG22 ILE B 168 13.399 3.533 -5.291 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.880 1.977 -4.573 1.00 1.00 H new ATOM 0 HD11 ILE B 168 17.362 2.647 -2.387 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.973 4.202 -3.161 1.00 1.00 H new ATOM 0 HD13 ILE B 168 15.667 3.175 -2.522 1.00 1.00 H new ATOM 1239 N GLU B 169 13.608 2.201 -7.956 1.00 1.00 N ATOM 1240 CA GLU B 169 12.469 2.592 -8.778 1.00 1.00 C ATOM 1241 C GLU B 169 11.196 1.991 -8.210 1.00 1.00 C ATOM 1242 O GLU B 169 11.004 0.776 -8.243 1.00 1.00 O ATOM 1243 CB GLU B 169 12.654 2.115 -10.220 1.00 1.00 C ATOM 1244 CG GLU B 169 13.829 2.855 -10.870 1.00 1.00 C ATOM 1245 CD GLU B 169 15.150 2.214 -10.460 1.00 1.00 C ATOM 1246 OE1 GLU B 169 15.117 1.306 -9.648 1.00 1.00 O ATOM 1247 OE2 GLU B 169 16.173 2.627 -10.980 1.00 1.00 O ATOM 0 H GLU B 169 13.677 1.200 -7.775 1.00 1.00 H new ATOM 0 HA GLU B 169 12.398 3.680 -8.773 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.837 1.041 -10.236 1.00 1.00 H new ATOM 0 HB3 GLU B 169 11.742 2.292 -10.790 1.00 1.00 H new ATOM 0 HG2 GLU B 169 13.727 2.832 -11.955 1.00 1.00 H new ATOM 0 HG3 GLU B 169 13.817 3.903 -10.571 1.00 1.00 H new ATOM 1254 N LEU B 170 10.327 2.845 -7.678 1.00 1.00 N ATOM 1255 CA LEU B 170 9.073 2.382 -7.091 1.00 1.00 C ATOM 1256 C LEU B 170 7.906 2.585 -8.062 1.00 1.00 C ATOM 1257 O LEU B 170 8.003 3.372 -9.004 1.00 1.00 O ATOM 1258 CB LEU B 170 8.795 3.161 -5.802 1.00 1.00 C ATOM 1259 CG LEU B 170 9.942 2.939 -4.792 1.00 1.00 C ATOM 1260 CD1 LEU B 170 10.045 4.142 -3.849 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.684 1.669 -3.960 1.00 1.00 C ATOM 0 H LEU B 170 10.466 3.855 -7.641 1.00 1.00 H new ATOM 0 HA LEU B 170 9.167 1.318 -6.875 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.696 4.224 -6.024 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.849 2.836 -5.368 1.00 1.00 H new ATOM 0 HG LEU B 170 10.873 2.824 -5.346 1.00 1.00 H new ATOM 0 HD11 LEU B 170 10.856 3.979 -3.139 1.00 1.00 H new ATOM 0 HD12 LEU B 170 10.246 5.043 -4.429 1.00 1.00 H new ATOM 0 HD13 LEU B 170 9.107 4.261 -3.307 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.501 1.525 -3.253 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.746 1.775 -3.415 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.622 0.806 -4.623 1.00 1.00 H new ATOM 1273 N PRO B 171 6.804 1.908 -7.840 1.00 1.00 N ATOM 1274 CA PRO B 171 5.594 2.050 -8.712 1.00 1.00 C ATOM 1275 C PRO B 171 4.690 3.193 -8.256 1.00 1.00 C ATOM 1276 O PRO B 171 4.800 3.676 -7.129 1.00 1.00 O ATOM 1277 CB PRO B 171 4.877 0.697 -8.583 1.00 1.00 C ATOM 1278 CG PRO B 171 5.354 0.141 -7.285 1.00 1.00 C ATOM 1279 CD PRO B 171 6.793 0.611 -7.138 1.00 1.00 C ATOM 0 HA PRO B 171 5.862 2.292 -9.741 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.794 0.820 -8.587 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.126 0.036 -9.413 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.740 0.497 -6.458 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.296 -0.947 -7.280 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.075 0.719 -6.091 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.493 -0.094 -7.586 1.00 1.00 H new ATOM 1287 N GLU B 172 3.783 3.607 -9.140 1.00 1.00 N ATOM 1288 CA GLU B 172 2.841 4.681 -8.828 1.00 1.00 C ATOM 1289 C GLU B 172 1.453 4.105 -8.587 1.00 1.00 C ATOM 1290 O GLU B 172 0.931 3.343 -9.400 1.00 1.00 O ATOM 1291 CB GLU B 172 2.792 5.692 -9.977 1.00 1.00 C ATOM 1292 CG GLU B 172 2.678 4.953 -11.310 1.00 1.00 C ATOM 1293 CD GLU B 172 2.641 5.957 -12.450 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.106 7.035 -12.250 1.00 1.00 O ATOM 1295 OE2 GLU B 172 3.148 5.633 -13.520 1.00 1.00 O ATOM 0 H GLU B 172 3.681 3.216 -10.076 1.00 1.00 H new ATOM 0 HA GLU B 172 3.177 5.189 -7.924 1.00 1.00 H new ATOM 0 HB2 GLU B 172 1.942 6.362 -9.848 1.00 1.00 H new ATOM 0 HB3 GLU B 172 3.690 6.310 -9.969 1.00 1.00 H new ATOM 0 HG2 GLU B 172 3.524 4.277 -11.435 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.776 4.341 -11.322 1.00 1.00 H new ATOM 1302 N VAL B 173 0.868 4.457 -7.450 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.451 3.952 -7.101 1.00 1.00 C ATOM 1304 C VAL B 173 -1.473 4.301 -8.198 1.00 1.00 C ATOM 1305 O VAL B 173 -1.428 5.390 -8.770 1.00 1.00 O ATOM 1306 CB VAL B 173 -0.905 4.536 -5.738 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.591 3.553 -4.597 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.171 5.852 -5.470 1.00 1.00 C ATOM 0 H VAL B 173 1.282 5.084 -6.760 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.394 2.867 -7.017 1.00 1.00 H new ATOM 0 HB VAL B 173 -1.981 4.708 -5.780 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -0.917 3.980 -3.649 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.116 2.614 -4.771 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.483 3.368 -4.562 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.493 6.259 -4.511 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.904 5.671 -5.445 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.400 6.564 -6.262 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.388 3.403 -8.494 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.434 3.640 -9.535 1.00 1.00 C ATOM 1320 C PRO B 174 -4.465 4.669 -9.080 1.00 1.00 C ATOM 1321 O PRO B 174 -4.735 4.802 -7.886 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.068 2.254 -9.730 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.886 1.564 -8.423 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.571 2.092 -7.854 1.00 1.00 C ATOM 0 HA PRO B 174 -3.021 4.050 -10.457 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.123 2.335 -9.991 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.581 1.707 -10.537 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.717 1.776 -7.750 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.850 0.482 -8.553 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.617 2.184 -6.769 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.743 1.421 -8.082 1.00 1.00 H new ATOM 1332 N SER B 175 -5.046 5.391 -10.030 1.00 1.00 N ATOM 1333 CA SER B 175 -6.061 6.400 -9.731 1.00 1.00 C ATOM 1334 C SER B 175 -7.406 5.955 -10.280 1.00 1.00 C ATOM 1335 O SER B 175 -7.781 6.315 -11.390 1.00 1.00 O ATOM 1336 CB SER B 175 -5.677 7.735 -10.370 1.00 1.00 C ATOM 1337 OG SER B 175 -6.647 8.717 -10.020 1.00 1.00 O ATOM 0 H SER B 175 -4.831 5.297 -11.023 1.00 1.00 H new ATOM 0 HA SER B 175 -6.127 6.521 -8.650 1.00 1.00 H new ATOM 0 HB2 SER B 175 -4.689 8.044 -10.029 1.00 1.00 H new ATOM 0 HB3 SER B 175 -5.622 7.631 -11.454 1.00 1.00 H new ATOM 0 HG SER B 175 -6.405 9.575 -10.426 1.00 1.00 H new ATOM 1343 N GLU B 176 -8.128 5.163 -9.496 1.00 1.00 N ATOM 1344 CA GLU B 176 -9.434 4.665 -9.922 1.00 1.00 C ATOM 1345 C GLU B 176 -10.530 5.679 -9.578 1.00 1.00 C ATOM 1346 O GLU B 176 -10.310 6.603 -8.793 1.00 1.00 O ATOM 1347 CB GLU B 176 -9.721 3.323 -9.231 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.064 2.176 -10.010 1.00 1.00 C ATOM 1349 CD GLU B 176 -9.802 1.956 -11.320 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -10.820 1.288 -11.300 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.335 2.459 -12.330 1.00 1.00 O ATOM 0 H GLU B 176 -7.836 4.853 -8.569 1.00 1.00 H new ATOM 0 HA GLU B 176 -9.425 4.521 -11.002 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -9.341 3.343 -8.209 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -10.797 3.161 -9.168 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -8.018 2.410 -10.206 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -9.081 1.263 -9.415 1.00 1.00 H new ATOM 1358 N PRO B 177 -11.710 5.515 -10.130 1.00 1.00 N ATOM 1359 CA PRO B 177 -12.860 6.435 -9.859 1.00 1.00 C ATOM 1360 C PRO B 177 -13.740 5.935 -8.717 1.00 1.00 C ATOM 1361 O PRO B 177 -14.860 6.408 -8.523 1.00 1.00 O ATOM 1362 CB PRO B 177 -13.640 6.465 -11.180 1.00 1.00 C ATOM 1363 CG PRO B 177 -13.330 5.158 -11.820 1.00 1.00 C ATOM 1364 CD PRO B 177 -11.890 4.839 -11.430 1.00 1.00 C ATOM 0 HA PRO B 177 -12.521 7.422 -9.545 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -14.710 6.580 -11.007 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -13.327 7.299 -11.808 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -14.011 4.381 -11.473 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -13.439 5.217 -12.903 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -11.729 3.764 -11.346 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.184 5.210 -12.173 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.230 4.971 -7.976 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.980 4.407 -6.864 1.00 1.00 C ATOM 1374 C LEU B 178 -14.430 5.515 -5.905 1.00 1.00 C ATOM 1375 O LEU B 178 -13.700 6.479 -5.680 1.00 1.00 O ATOM 1376 CB LEU B 178 -13.140 3.367 -6.111 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.740 3.950 -5.739 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -11.750 4.444 -4.283 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.650 2.873 -5.886 1.00 1.00 C ATOM 0 H LEU B 178 -12.307 4.562 -8.120 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.862 3.911 -7.268 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -13.662 3.057 -5.206 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -13.016 2.477 -6.728 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.525 4.778 -6.415 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -10.770 4.850 -4.030 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -12.505 5.221 -4.168 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -11.981 3.612 -3.618 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.681 3.297 -5.623 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.872 2.037 -5.223 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -10.623 2.521 -6.917 1.00 1.00 H new ATOM 1391 N PRO B 179 -15.620 5.406 -5.340 1.00 1.00 N ATOM 1392 CA PRO B 179 -16.140 6.449 -4.398 1.00 1.00 C ATOM 1393 C PRO B 179 -15.040 7.052 -3.525 1.00 1.00 C ATOM 1394 O PRO B 179 -14.220 6.328 -2.957 1.00 1.00 O ATOM 1395 CB PRO B 179 -17.160 5.684 -3.536 1.00 1.00 C ATOM 1396 CG PRO B 179 -17.640 4.553 -4.391 1.00 1.00 C ATOM 1397 CD PRO B 179 -16.510 4.226 -5.379 1.00 1.00 C ATOM 0 HA PRO B 179 -16.569 7.297 -4.932 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -16.700 5.315 -2.619 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -17.986 6.330 -3.240 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -17.882 3.683 -3.780 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -18.549 4.831 -4.924 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -15.979 3.320 -5.087 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.899 4.057 -6.383 1.00 1.00 H new TER 1405 PRO B 179