USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 44 HIS : no HD1:sc= -2.08 X(o=-3.5,f=-3) USER MOD Set 1.2: A 93 MET CE :methyl -114:sc= -1.37 (180deg=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 170:sc= 0 USER MOD Single : A -2 SER OG : rot -53:sc= 0.362 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 2:sc= -0.5 USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -1.73 (180deg=-7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -94:sc= -1.78! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.1!) USER MOD Single : A 29 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -108:sc= -1.33! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.5! C(o=-9.5!,f=-11!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.812 USER MOD Single : A 53 GLN : amide:sc= -0.566 K(o=-0.57,f=-0.048) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0434 (180deg=-0.192) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 0.109 (180deg=0.0458) USER MOD Single : A 77 SER OG : rot 31:sc= 0.597 USER MOD Single : A 78 MET CE :methyl -157:sc= -1.26 (180deg=-1.7) USER MOD Single : A 80 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.35) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 160:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -4.47! K(o=-4.5!,f=-4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.969 K(o=-0.97,f=-1.9) USER MOD Single : A 100 SER OG : rot -84:sc= -0.338 USER MOD Single : A 103 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.02) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 5.113 11.980 -21.311 1.00 0.00 N ATOM 2 CA GLY A -6 4.889 11.767 -19.893 1.00 0.00 C ATOM 3 C GLY A -6 6.166 11.436 -19.147 1.00 0.00 C ATOM 4 O GLY A -6 6.895 10.520 -19.528 1.00 0.00 O ATOM 0 H1 GLY A -6 4.210 12.203 -21.775 1.00 0.00 H new ATOM 0 H2 GLY A -6 5.775 12.771 -21.443 1.00 0.00 H new ATOM 0 H3 GLY A -6 5.515 11.118 -21.732 1.00 0.00 H new ATOM 0 HA2 GLY A -6 4.441 12.662 -19.461 1.00 0.00 H new ATOM 0 HA3 GLY A -6 4.173 10.956 -19.759 1.00 0.00 H new ATOM 8 N SER A -5 6.439 12.183 -18.083 1.00 0.00 N ATOM 9 CA SER A -5 7.640 11.967 -17.285 1.00 0.00 C ATOM 10 C SER A -5 7.285 11.421 -15.905 1.00 0.00 C ATOM 11 O SER A -5 7.026 12.181 -14.972 1.00 0.00 O ATOM 12 CB SER A -5 8.424 13.273 -17.142 1.00 0.00 C ATOM 13 OG SER A -5 9.260 13.492 -18.266 1.00 0.00 O ATOM 0 H SER A -5 5.845 12.944 -17.753 1.00 0.00 H new ATOM 0 HA SER A -5 8.260 11.233 -17.799 1.00 0.00 H new ATOM 0 HB2 SER A -5 7.731 14.107 -17.033 1.00 0.00 H new ATOM 0 HB3 SER A -5 9.029 13.240 -16.236 1.00 0.00 H new ATOM 0 HG SER A -5 9.749 14.334 -18.151 1.00 0.00 H new ATOM 19 N SER A -4 7.275 10.097 -15.785 1.00 0.00 N ATOM 20 CA SER A -4 6.948 9.448 -14.521 1.00 0.00 C ATOM 21 C SER A -4 8.122 9.528 -13.549 1.00 0.00 C ATOM 22 O SER A -4 9.226 9.080 -13.854 1.00 0.00 O ATOM 23 CB SER A -4 6.567 7.985 -14.758 1.00 0.00 C ATOM 24 OG SER A -4 5.364 7.885 -15.500 1.00 0.00 O ATOM 0 H SER A -4 7.489 9.454 -16.547 1.00 0.00 H new ATOM 0 HA SER A -4 6.099 9.971 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A -4 7.371 7.479 -15.293 1.00 0.00 H new ATOM 0 HB3 SER A -4 6.451 7.477 -13.801 1.00 0.00 H new ATOM 0 HG SER A -4 5.143 6.940 -15.640 1.00 0.00 H new ATOM 30 N GLY A -3 7.873 10.103 -12.377 1.00 0.00 N ATOM 31 CA GLY A -3 8.917 10.233 -11.377 1.00 0.00 C ATOM 32 C GLY A -3 9.858 11.386 -11.668 1.00 0.00 C ATOM 33 O GLY A -3 9.518 12.546 -11.435 1.00 0.00 O ATOM 0 H GLY A -3 6.967 10.481 -12.102 1.00 0.00 H new ATOM 0 HA2 GLY A -3 8.462 10.378 -10.397 1.00 0.00 H new ATOM 0 HA3 GLY A -3 9.488 9.306 -11.329 1.00 0.00 H new ATOM 37 N SER A -2 11.044 11.067 -12.175 1.00 0.00 N ATOM 38 CA SER A -2 12.039 12.085 -12.492 1.00 0.00 C ATOM 39 C SER A -2 12.372 12.921 -11.260 1.00 0.00 C ATOM 40 O SER A -2 12.522 14.140 -11.346 1.00 0.00 O ATOM 41 CB SER A -2 11.531 12.991 -13.616 1.00 0.00 C ATOM 42 OG SER A -2 12.566 13.829 -14.101 1.00 0.00 O ATOM 0 H SER A -2 11.340 10.112 -12.375 1.00 0.00 H new ATOM 0 HA SER A -2 12.947 11.581 -12.823 1.00 0.00 H new ATOM 0 HB2 SER A -2 11.140 12.381 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A -2 10.705 13.602 -13.251 1.00 0.00 H new ATOM 0 HG SER A -2 12.979 14.306 -13.351 1.00 0.00 H new ATOM 48 N SER A -1 12.487 12.256 -10.115 1.00 0.00 N ATOM 49 CA SER A -1 12.798 12.937 -8.864 1.00 0.00 C ATOM 50 C SER A -1 14.283 12.814 -8.534 1.00 0.00 C ATOM 51 O SER A -1 14.996 12.001 -9.121 1.00 0.00 O ATOM 52 CB SER A -1 11.961 12.359 -7.722 1.00 0.00 C ATOM 53 OG SER A -1 10.678 12.959 -7.676 1.00 0.00 O ATOM 0 H SER A -1 12.369 11.247 -10.028 1.00 0.00 H new ATOM 0 HA SER A -1 12.556 13.993 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A -1 11.858 11.282 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.475 12.518 -6.774 1.00 0.00 H new ATOM 0 HG SER A -1 10.109 12.466 -7.049 1.00 0.00 H new ATOM 59 N GLY A 0 14.742 13.628 -7.588 1.00 0.00 N ATOM 60 CA GLY A 0 16.139 13.595 -7.195 1.00 0.00 C ATOM 61 C GLY A 0 17.061 14.089 -8.292 1.00 0.00 C ATOM 62 O GLY A 0 16.778 13.913 -9.476 1.00 0.00 O ATOM 0 H GLY A 0 14.172 14.309 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 0 16.277 14.208 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 0 16.414 12.575 -6.926 1.00 0.00 H new ATOM 66 N MET A 1 18.167 14.712 -7.897 1.00 0.00 N ATOM 67 CA MET A 1 19.134 15.234 -8.856 1.00 0.00 C ATOM 68 C MET A 1 20.509 14.613 -8.634 1.00 0.00 C ATOM 69 O MET A 1 20.921 14.384 -7.497 1.00 0.00 O ATOM 70 CB MET A 1 19.225 16.757 -8.744 1.00 0.00 C ATOM 71 CG MET A 1 18.104 17.487 -9.467 1.00 0.00 C ATOM 72 SD MET A 1 16.520 17.342 -8.619 1.00 0.00 S ATOM 73 CE MET A 1 16.549 18.810 -7.592 1.00 0.00 C ATOM 0 H MET A 1 18.416 14.867 -6.920 1.00 0.00 H new ATOM 0 HA MET A 1 18.793 14.971 -9.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.210 17.037 -7.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.182 17.086 -9.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.365 18.541 -9.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.009 17.089 -10.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.632 18.861 -7.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.407 18.768 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.625 19.695 -8.224 1.00 0.00 H new ATOM 83 N MET A 2 21.215 14.343 -9.727 1.00 0.00 N ATOM 84 CA MET A 2 22.545 13.749 -9.651 1.00 0.00 C ATOM 85 C MET A 2 23.416 14.494 -8.644 1.00 0.00 C ATOM 86 O MET A 2 24.145 13.880 -7.864 1.00 0.00 O ATOM 87 CB MET A 2 23.212 13.761 -11.027 1.00 0.00 C ATOM 88 CG MET A 2 23.478 15.159 -11.562 1.00 0.00 C ATOM 89 SD MET A 2 24.452 15.148 -13.079 1.00 0.00 S ATOM 90 CE MET A 2 26.106 14.960 -12.419 1.00 0.00 C ATOM 0 H MET A 2 20.888 14.526 -10.676 1.00 0.00 H new ATOM 0 HA MET A 2 22.436 12.717 -9.318 1.00 0.00 H new ATOM 0 HB2 MET A 2 24.155 13.218 -10.969 1.00 0.00 H new ATOM 0 HB3 MET A 2 22.578 13.225 -11.734 1.00 0.00 H new ATOM 0 HG2 MET A 2 22.528 15.659 -11.749 1.00 0.00 H new ATOM 0 HG3 MET A 2 24.001 15.741 -10.803 1.00 0.00 H new ATOM 0 HE1 MET A 2 26.824 14.936 -13.239 1.00 0.00 H new ATOM 0 HE2 MET A 2 26.333 15.799 -11.762 1.00 0.00 H new ATOM 0 HE3 MET A 2 26.169 14.030 -11.854 1.00 0.00 H new ATOM 100 N LEU A 3 23.336 15.820 -8.667 1.00 0.00 N ATOM 101 CA LEU A 3 24.117 16.649 -7.756 1.00 0.00 C ATOM 102 C LEU A 3 23.748 16.360 -6.304 1.00 0.00 C ATOM 103 O LEU A 3 22.633 16.644 -5.868 1.00 0.00 O ATOM 104 CB LEU A 3 23.894 18.131 -8.065 1.00 0.00 C ATOM 105 CG LEU A 3 24.857 18.758 -9.075 1.00 0.00 C ATOM 106 CD1 LEU A 3 24.304 18.635 -10.486 1.00 0.00 C ATOM 107 CD2 LEU A 3 25.119 20.216 -8.727 1.00 0.00 C ATOM 0 H LEU A 3 22.738 16.344 -9.306 1.00 0.00 H new ATOM 0 HA LEU A 3 25.171 16.409 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 3 22.877 18.255 -8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 3 23.962 18.691 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 3 25.803 18.219 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.002 19.086 -11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 3 24.168 17.582 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 3 23.344 19.148 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.806 20.646 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 3 24.180 20.769 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 3 25.559 20.279 -7.732 1.00 0.00 H new ATOM 119 N GLY A 4 24.694 15.796 -5.559 1.00 0.00 N ATOM 120 CA GLY A 4 24.450 15.480 -4.164 1.00 0.00 C ATOM 121 C GLY A 4 23.795 14.125 -3.983 1.00 0.00 C ATOM 122 O GLY A 4 22.764 13.824 -4.585 1.00 0.00 O ATOM 0 H GLY A 4 25.625 15.552 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.394 15.499 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.814 16.249 -3.726 1.00 0.00 H new ATOM 126 N PRO A 5 24.400 13.280 -3.135 1.00 0.00 N ATOM 127 CA PRO A 5 23.887 11.935 -2.857 1.00 0.00 C ATOM 128 C PRO A 5 22.590 11.963 -2.056 1.00 0.00 C ATOM 129 O PRO A 5 22.047 10.918 -1.701 1.00 0.00 O ATOM 130 CB PRO A 5 25.008 11.290 -2.038 1.00 0.00 C ATOM 131 CG PRO A 5 25.719 12.435 -1.403 1.00 0.00 C ATOM 132 CD PRO A 5 25.632 13.572 -2.383 1.00 0.00 C ATOM 0 HA PRO A 5 23.644 11.395 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.608 10.607 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 5 25.678 10.710 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.257 12.703 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 5 26.758 12.181 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.575 14.536 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 5 26.503 13.607 -3.037 1.00 0.00 H new ATOM 140 N GLU A 6 22.099 13.167 -1.777 1.00 0.00 N ATOM 141 CA GLU A 6 20.865 13.329 -1.018 1.00 0.00 C ATOM 142 C GLU A 6 19.646 13.228 -1.931 1.00 0.00 C ATOM 143 O GLU A 6 18.670 13.958 -1.765 1.00 0.00 O ATOM 144 CB GLU A 6 20.860 14.676 -0.291 1.00 0.00 C ATOM 145 CG GLU A 6 19.842 14.758 0.833 1.00 0.00 C ATOM 146 CD GLU A 6 20.027 13.665 1.868 1.00 0.00 C ATOM 147 OE1 GLU A 6 21.187 13.384 2.234 1.00 0.00 O ATOM 148 OE2 GLU A 6 19.010 13.092 2.313 1.00 0.00 O ATOM 0 H GLU A 6 22.536 14.042 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 6 20.814 12.526 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 6 21.854 14.863 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 6 20.657 15.468 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.920 15.731 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.838 14.691 0.414 1.00 0.00 H new ATOM 155 N GLY A 7 19.712 12.316 -2.897 1.00 0.00 N ATOM 156 CA GLY A 7 18.609 12.136 -3.823 1.00 0.00 C ATOM 157 C GLY A 7 17.258 12.248 -3.144 1.00 0.00 C ATOM 158 O GLY A 7 16.381 12.974 -3.608 1.00 0.00 O ATOM 0 H GLY A 7 20.509 11.699 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.677 12.882 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.693 11.159 -4.298 1.00 0.00 H new ATOM 162 N GLY A 8 17.089 11.523 -2.042 1.00 0.00 N ATOM 163 CA GLY A 8 15.832 11.557 -1.318 1.00 0.00 C ATOM 164 C GLY A 8 15.014 10.297 -1.517 1.00 0.00 C ATOM 165 O GLY A 8 14.659 9.621 -0.552 1.00 0.00 O ATOM 0 H GLY A 8 17.800 10.913 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.032 11.692 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.251 12.419 -1.645 1.00 0.00 H new ATOM 169 N GLU A 9 14.713 9.981 -2.773 1.00 0.00 N ATOM 170 CA GLU A 9 13.929 8.795 -3.095 1.00 0.00 C ATOM 171 C GLU A 9 14.564 7.544 -2.494 1.00 0.00 C ATOM 172 O GLU A 9 15.749 7.533 -2.164 1.00 0.00 O ATOM 173 CB GLU A 9 13.801 8.636 -4.611 1.00 0.00 C ATOM 174 CG GLU A 9 15.120 8.346 -5.307 1.00 0.00 C ATOM 175 CD GLU A 9 14.935 7.652 -6.642 1.00 0.00 C ATOM 176 OE1 GLU A 9 14.545 8.331 -7.615 1.00 0.00 O ATOM 177 OE2 GLU A 9 15.180 6.430 -6.714 1.00 0.00 O ATOM 0 H GLU A 9 15.000 10.530 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 9 12.935 8.921 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.102 7.828 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.372 9.547 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.659 9.281 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.738 7.723 -4.661 1.00 0.00 H new ATOM 184 N GLY A 10 13.765 6.490 -2.354 1.00 0.00 N ATOM 185 CA GLY A 10 14.265 5.249 -1.793 1.00 0.00 C ATOM 186 C GLY A 10 13.541 4.033 -2.337 1.00 0.00 C ATOM 187 O GLY A 10 12.484 4.157 -2.956 1.00 0.00 O ATOM 0 H GLY A 10 12.780 6.474 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.330 5.160 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.160 5.276 -0.708 1.00 0.00 H new ATOM 191 N TYR A 11 14.110 2.855 -2.107 1.00 0.00 N ATOM 192 CA TYR A 11 13.514 1.612 -2.582 1.00 0.00 C ATOM 193 C TYR A 11 12.113 1.426 -2.008 1.00 0.00 C ATOM 194 O TYR A 11 11.946 1.198 -0.810 1.00 0.00 O ATOM 195 CB TYR A 11 14.396 0.422 -2.203 1.00 0.00 C ATOM 196 CG TYR A 11 15.835 0.569 -2.643 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.163 0.669 -3.989 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.866 0.607 -1.713 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.476 0.803 -4.396 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.182 0.743 -2.110 1.00 0.00 C ATOM 201 CZ TYR A 11 18.482 0.840 -3.453 1.00 0.00 C ATOM 202 OH TYR A 11 19.792 0.973 -3.853 1.00 0.00 O ATOM 0 H TYR A 11 14.984 2.735 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 11 13.437 1.667 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.368 0.290 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.980 -0.483 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.378 0.641 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.635 0.529 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.714 0.878 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.971 0.773 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 11 19.829 1.058 -4.829 1.00 0.00 H new ATOM 212 N VAL A 12 11.108 1.524 -2.873 1.00 0.00 N ATOM 213 CA VAL A 12 9.721 1.364 -2.454 1.00 0.00 C ATOM 214 C VAL A 12 8.924 0.570 -3.483 1.00 0.00 C ATOM 215 O VAL A 12 9.314 0.473 -4.646 1.00 0.00 O ATOM 216 CB VAL A 12 9.040 2.728 -2.235 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.575 2.542 -1.873 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.768 3.520 -1.159 1.00 0.00 C ATOM 0 H VAL A 12 11.229 1.713 -3.868 1.00 0.00 H new ATOM 0 HA VAL A 12 9.736 0.818 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 12 9.090 3.293 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.111 3.517 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.064 2.018 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.498 1.958 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.273 4.481 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.752 2.962 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.801 3.685 -1.465 1.00 0.00 H new ATOM 228 N VAL A 13 7.804 0.003 -3.046 1.00 0.00 N ATOM 229 CA VAL A 13 6.950 -0.783 -3.929 1.00 0.00 C ATOM 230 C VAL A 13 5.477 -0.572 -3.599 1.00 0.00 C ATOM 231 O VAL A 13 5.107 -0.409 -2.436 1.00 0.00 O ATOM 232 CB VAL A 13 7.276 -2.285 -3.836 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.655 -2.569 -4.414 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.186 -2.761 -2.394 1.00 0.00 C ATOM 0 H VAL A 13 7.467 0.073 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 13 7.145 -0.440 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 13 6.541 -2.836 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.868 -3.635 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.680 -2.266 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.406 -2.009 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.419 -3.825 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.897 -2.206 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.177 -2.594 -2.018 1.00 0.00 H new ATOM 244 N LYS A 14 4.638 -0.578 -4.630 1.00 0.00 N ATOM 245 CA LYS A 14 3.203 -0.390 -4.450 1.00 0.00 C ATOM 246 C LYS A 14 2.448 -1.690 -4.708 1.00 0.00 C ATOM 247 O LYS A 14 2.710 -2.388 -5.688 1.00 0.00 O ATOM 248 CB LYS A 14 2.691 0.705 -5.388 1.00 0.00 C ATOM 249 CG LYS A 14 1.184 0.684 -5.581 1.00 0.00 C ATOM 250 CD LYS A 14 0.748 1.649 -6.671 1.00 0.00 C ATOM 251 CE LYS A 14 0.432 3.025 -6.105 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.559 2.954 -4.996 1.00 0.00 N ATOM 0 H LYS A 14 4.927 -0.711 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 14 3.027 -0.087 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.985 1.677 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.175 0.596 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.863 -0.326 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.693 0.946 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.536 1.735 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.131 1.253 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.350 3.488 -5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.044 3.664 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.322 3.639 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.958 1.995 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.089 3.179 -4.096 1.00 0.00 H new ATOM 266 N LEU A 15 1.509 -2.009 -3.824 1.00 0.00 N ATOM 267 CA LEU A 15 0.714 -3.224 -3.957 1.00 0.00 C ATOM 268 C LEU A 15 -0.743 -2.891 -4.262 1.00 0.00 C ATOM 269 O LEU A 15 -1.378 -2.121 -3.542 1.00 0.00 O ATOM 270 CB LEU A 15 0.802 -4.057 -2.677 1.00 0.00 C ATOM 271 CG LEU A 15 2.195 -4.559 -2.296 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.189 -5.136 -0.889 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.681 -5.596 -3.298 1.00 0.00 C ATOM 0 H LEU A 15 1.280 -1.443 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 15 1.116 -3.803 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.415 -3.460 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.144 -4.919 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 15 2.883 -3.713 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.189 -5.488 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.886 -4.365 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.488 -5.969 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.674 -5.942 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.992 -6.441 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.726 -5.149 -4.291 1.00 0.00 H new ATOM 285 N ARG A 16 -1.268 -3.479 -5.332 1.00 0.00 N ATOM 286 CA ARG A 16 -2.650 -3.246 -5.731 1.00 0.00 C ATOM 287 C ARG A 16 -3.453 -4.543 -5.694 1.00 0.00 C ATOM 288 O ARG A 16 -2.900 -5.632 -5.836 1.00 0.00 O ATOM 289 CB ARG A 16 -2.703 -2.641 -7.135 1.00 0.00 C ATOM 290 CG ARG A 16 -3.957 -1.824 -7.400 1.00 0.00 C ATOM 291 CD ARG A 16 -3.691 -0.700 -8.389 1.00 0.00 C ATOM 292 NE ARG A 16 -4.918 -0.009 -8.776 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.743 -0.450 -9.719 1.00 0.00 C ATOM 294 NH1 ARG A 16 -5.474 -1.575 -10.367 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.841 0.234 -10.014 1.00 0.00 N ATOM 0 H ARG A 16 -0.757 -4.120 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.092 -2.545 -5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.829 -2.007 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.641 -3.444 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.741 -2.474 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.325 -1.406 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.997 0.015 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.208 -1.106 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.154 0.859 -8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.632 -2.104 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.109 -1.911 -11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.052 1.099 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.474 -0.105 -10.738 1.00 0.00 H new ATOM 309 N GLY A 17 -4.763 -4.417 -5.501 1.00 0.00 N ATOM 310 CA GLY A 17 -5.621 -5.586 -5.448 1.00 0.00 C ATOM 311 C GLY A 17 -5.697 -6.186 -4.058 1.00 0.00 C ATOM 312 O GLY A 17 -6.187 -7.303 -3.882 1.00 0.00 O ATOM 0 H GLY A 17 -5.245 -3.526 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.623 -5.313 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.250 -6.337 -6.145 1.00 0.00 H new ATOM 316 N LEU A 18 -5.212 -5.446 -3.068 1.00 0.00 N ATOM 317 CA LEU A 18 -5.226 -5.912 -1.686 1.00 0.00 C ATOM 318 C LEU A 18 -6.646 -5.928 -1.131 1.00 0.00 C ATOM 319 O LEU A 18 -7.503 -5.139 -1.530 1.00 0.00 O ATOM 320 CB LEU A 18 -4.336 -5.020 -0.818 1.00 0.00 C ATOM 321 CG LEU A 18 -2.841 -5.052 -1.134 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.143 -3.840 -0.537 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.214 -6.339 -0.618 1.00 0.00 C ATOM 0 H LEU A 18 -4.804 -4.520 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.838 -6.930 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.685 -3.992 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.473 -5.309 0.224 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.717 -5.020 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.079 -3.880 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.573 -2.930 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.275 -3.840 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.149 -6.344 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.349 -6.402 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.694 -7.194 -1.094 1.00 0.00 H new ATOM 335 N PRO A 19 -6.903 -6.846 -0.187 1.00 0.00 N ATOM 336 CA PRO A 19 -8.218 -6.984 0.445 1.00 0.00 C ATOM 337 C PRO A 19 -8.549 -5.809 1.359 1.00 0.00 C ATOM 338 O PRO A 19 -7.673 -5.274 2.038 1.00 0.00 O ATOM 339 CB PRO A 19 -8.086 -8.274 1.258 1.00 0.00 C ATOM 340 CG PRO A 19 -6.628 -8.402 1.532 1.00 0.00 C ATOM 341 CD PRO A 19 -5.929 -7.818 0.335 1.00 0.00 C ATOM 0 HA PRO A 19 -9.023 -7.007 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.659 -8.219 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.461 -9.133 0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.354 -7.869 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.348 -9.445 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.991 -7.338 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.689 -8.583 -0.403 1.00 0.00 H new ATOM 349 N TRP A 20 -9.817 -5.415 1.372 1.00 0.00 N ATOM 350 CA TRP A 20 -10.263 -4.303 2.204 1.00 0.00 C ATOM 351 C TRP A 20 -9.878 -4.526 3.662 1.00 0.00 C ATOM 352 O TRP A 20 -9.914 -3.600 4.472 1.00 0.00 O ATOM 353 CB TRP A 20 -11.777 -4.124 2.084 1.00 0.00 C ATOM 354 CG TRP A 20 -12.196 -3.437 0.820 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.517 -3.416 -0.365 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.388 -2.670 0.615 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.215 -2.682 -1.294 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.367 -2.215 -0.717 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.471 -2.326 1.428 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.387 -1.433 -1.253 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.483 -1.550 0.895 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.436 -1.111 -0.435 1.00 0.00 C ATOM 0 H TRP A 20 -10.554 -5.848 0.816 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.769 -3.397 1.852 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.256 -5.102 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.136 -3.549 2.938 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.571 -3.904 -0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.923 -2.512 -2.256 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.517 -2.660 2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.352 -1.093 -2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.325 -1.277 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.243 -0.507 -0.822 1.00 0.00 H new ATOM 373 N SER A 21 -9.511 -5.760 3.991 1.00 0.00 N ATOM 374 CA SER A 21 -9.123 -6.105 5.354 1.00 0.00 C ATOM 375 C SER A 21 -7.643 -6.470 5.422 1.00 0.00 C ATOM 376 O SER A 21 -7.215 -7.207 6.311 1.00 0.00 O ATOM 377 CB SER A 21 -9.971 -7.270 5.868 1.00 0.00 C ATOM 378 OG SER A 21 -11.247 -6.823 6.295 1.00 0.00 O ATOM 0 H SER A 21 -9.474 -6.538 3.332 1.00 0.00 H new ATOM 0 HA SER A 21 -9.294 -5.233 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.088 -8.014 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.458 -7.760 6.696 1.00 0.00 H new ATOM 0 HG SER A 21 -11.770 -7.586 6.617 1.00 0.00 H new ATOM 384 N CYS A 22 -6.868 -5.950 4.477 1.00 0.00 N ATOM 385 CA CYS A 22 -5.436 -6.220 4.428 1.00 0.00 C ATOM 386 C CYS A 22 -4.721 -5.581 5.614 1.00 0.00 C ATOM 387 O CYS A 22 -4.898 -4.396 5.893 1.00 0.00 O ATOM 388 CB CYS A 22 -4.842 -5.699 3.118 1.00 0.00 C ATOM 389 SG CYS A 22 -3.110 -6.151 2.862 1.00 0.00 S ATOM 0 H CYS A 22 -7.207 -5.339 3.734 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.293 -7.299 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.433 -6.082 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.930 -4.613 3.098 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.343 -5.193 3.291 1.00 0.00 H new ATOM 395 N SER A 23 -3.914 -6.376 6.309 1.00 0.00 N ATOM 396 CA SER A 23 -3.176 -5.889 7.469 1.00 0.00 C ATOM 397 C SER A 23 -1.673 -5.915 7.207 1.00 0.00 C ATOM 398 O SER A 23 -1.179 -6.745 6.443 1.00 0.00 O ATOM 399 CB SER A 23 -3.504 -6.736 8.701 1.00 0.00 C ATOM 400 OG SER A 23 -4.724 -6.323 9.292 1.00 0.00 O ATOM 0 H SER A 23 -3.754 -7.359 6.090 1.00 0.00 H new ATOM 0 HA SER A 23 -3.478 -4.858 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.571 -7.786 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.697 -6.653 9.429 1.00 0.00 H new ATOM 0 HG SER A 23 -4.913 -6.880 10.076 1.00 0.00 H new ATOM 406 N ILE A 24 -0.952 -5.000 7.846 1.00 0.00 N ATOM 407 CA ILE A 24 0.494 -4.917 7.683 1.00 0.00 C ATOM 408 C ILE A 24 1.122 -6.306 7.636 1.00 0.00 C ATOM 409 O ILE A 24 2.020 -6.564 6.835 1.00 0.00 O ATOM 410 CB ILE A 24 1.144 -4.111 8.823 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.662 -2.659 8.789 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.660 -4.173 8.718 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.073 -1.857 10.004 1.00 0.00 C ATOM 0 H ILE A 24 -1.346 -4.306 8.481 1.00 0.00 H new ATOM 0 HA ILE A 24 0.676 -4.406 6.738 1.00 0.00 H new ATOM 0 HB ILE A 24 0.847 -4.551 9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.055 -2.175 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.425 -2.647 8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.105 -3.599 9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.987 -5.211 8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.976 -3.754 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.697 -0.838 9.912 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.658 -2.317 10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.160 -1.837 10.076 1.00 0.00 H new ATOM 425 N GLU A 25 0.642 -7.196 8.498 1.00 0.00 N ATOM 426 CA GLU A 25 1.156 -8.560 8.554 1.00 0.00 C ATOM 427 C GLU A 25 1.054 -9.236 7.189 1.00 0.00 C ATOM 428 O GLU A 25 2.025 -9.808 6.694 1.00 0.00 O ATOM 429 CB GLU A 25 0.391 -9.375 9.598 1.00 0.00 C ATOM 430 CG GLU A 25 0.952 -9.244 11.004 1.00 0.00 C ATOM 431 CD GLU A 25 -0.084 -9.529 12.074 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.804 -10.541 11.949 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.174 -8.739 13.037 1.00 0.00 O ATOM 0 H GLU A 25 -0.102 -6.998 9.167 1.00 0.00 H new ATOM 0 HA GLU A 25 2.207 -8.514 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.652 -9.058 9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.404 -10.425 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.790 -9.931 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.344 -8.236 11.142 1.00 0.00 H new ATOM 440 N ASP A 26 -0.128 -9.165 6.588 1.00 0.00 N ATOM 441 CA ASP A 26 -0.359 -9.769 5.281 1.00 0.00 C ATOM 442 C ASP A 26 0.639 -9.241 4.255 1.00 0.00 C ATOM 443 O ASP A 26 1.082 -9.974 3.370 1.00 0.00 O ATOM 444 CB ASP A 26 -1.787 -9.491 4.811 1.00 0.00 C ATOM 445 CG ASP A 26 -2.774 -10.525 5.314 1.00 0.00 C ATOM 446 OD1 ASP A 26 -3.220 -10.405 6.475 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.101 -11.455 4.548 1.00 0.00 O ATOM 0 H ASP A 26 -0.942 -8.695 6.985 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.220 -10.846 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.094 -8.503 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.810 -9.471 3.721 1.00 0.00 H new ATOM 452 N VAL A 27 0.989 -7.965 4.379 1.00 0.00 N ATOM 453 CA VAL A 27 1.935 -7.339 3.463 1.00 0.00 C ATOM 454 C VAL A 27 3.361 -7.799 3.745 1.00 0.00 C ATOM 455 O VAL A 27 4.092 -8.180 2.832 1.00 0.00 O ATOM 456 CB VAL A 27 1.875 -5.803 3.558 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.792 -5.167 2.524 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.445 -5.314 3.386 1.00 0.00 C ATOM 0 H VAL A 27 0.632 -7.344 5.105 1.00 0.00 H new ATOM 0 HA VAL A 27 1.650 -7.645 2.456 1.00 0.00 H new ATOM 0 HB VAL A 27 2.221 -5.504 4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.736 -4.082 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.818 -5.492 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.480 -5.471 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.421 -4.227 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.070 -5.623 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.182 -5.742 4.168 1.00 0.00 H new ATOM 468 N GLN A 28 3.748 -7.761 5.016 1.00 0.00 N ATOM 469 CA GLN A 28 5.087 -8.175 5.418 1.00 0.00 C ATOM 470 C GLN A 28 5.371 -9.606 4.975 1.00 0.00 C ATOM 471 O GLN A 28 6.432 -9.897 4.424 1.00 0.00 O ATOM 472 CB GLN A 28 5.246 -8.057 6.935 1.00 0.00 C ATOM 473 CG GLN A 28 5.327 -6.621 7.428 1.00 0.00 C ATOM 474 CD GLN A 28 5.545 -6.531 8.926 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.619 -6.728 9.713 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.775 -6.230 9.328 1.00 0.00 N ATOM 0 H GLN A 28 3.154 -7.448 5.784 1.00 0.00 H new ATOM 0 HA GLN A 28 5.805 -7.515 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.405 -8.552 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.147 -8.589 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.141 -6.110 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.407 -6.098 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.513 -6.075 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.982 -6.154 10.324 1.00 0.00 H new ATOM 485 N ASN A 29 4.415 -10.497 5.221 1.00 0.00 N ATOM 486 CA ASN A 29 4.563 -11.899 4.848 1.00 0.00 C ATOM 487 C ASN A 29 4.593 -12.058 3.331 1.00 0.00 C ATOM 488 O ASN A 29 5.367 -12.852 2.794 1.00 0.00 O ATOM 489 CB ASN A 29 3.420 -12.728 5.436 1.00 0.00 C ATOM 490 CG ASN A 29 3.682 -13.137 6.873 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.120 -14.255 7.142 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.413 -12.229 7.804 1.00 0.00 N ATOM 0 H ASN A 29 3.530 -10.273 5.677 1.00 0.00 H new ATOM 0 HA ASN A 29 5.509 -12.259 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.495 -12.153 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.272 -13.621 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.568 -12.446 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.051 -11.314 7.535 1.00 0.00 H new ATOM 499 N PHE A 30 3.746 -11.298 2.644 1.00 0.00 N ATOM 500 CA PHE A 30 3.675 -11.354 1.189 1.00 0.00 C ATOM 501 C PHE A 30 5.041 -11.078 0.567 1.00 0.00 C ATOM 502 O PHE A 30 5.530 -11.854 -0.256 1.00 0.00 O ATOM 503 CB PHE A 30 2.651 -10.344 0.668 1.00 0.00 C ATOM 504 CG PHE A 30 2.578 -10.283 -0.831 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.593 -9.690 -1.563 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.495 -10.820 -1.508 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.528 -9.632 -2.943 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.424 -10.765 -2.887 1.00 0.00 C ATOM 509 CZ PHE A 30 2.443 -10.171 -3.605 1.00 0.00 C ATOM 0 H PHE A 30 3.099 -10.636 3.072 1.00 0.00 H new ATOM 0 HA PHE A 30 3.362 -12.358 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.667 -10.600 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.900 -9.355 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.445 -9.268 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.696 -11.287 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.325 -9.165 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.573 -11.186 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.391 -10.128 -4.683 1.00 0.00 H new ATOM 519 N LEU A 31 5.651 -9.967 0.964 1.00 0.00 N ATOM 520 CA LEU A 31 6.960 -9.586 0.445 1.00 0.00 C ATOM 521 C LEU A 31 8.077 -10.161 1.311 1.00 0.00 C ATOM 522 O LEU A 31 9.087 -9.502 1.557 1.00 0.00 O ATOM 523 CB LEU A 31 7.082 -8.062 0.382 1.00 0.00 C ATOM 524 CG LEU A 31 6.137 -7.353 -0.590 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.359 -5.849 -0.549 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.329 -7.884 -2.003 1.00 0.00 C ATOM 0 H LEU A 31 5.260 -9.314 1.643 1.00 0.00 H new ATOM 0 HA LEU A 31 7.058 -9.994 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.910 -7.662 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.107 -7.810 0.110 1.00 0.00 H new ATOM 0 HG LEU A 31 5.111 -7.557 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.678 -5.362 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.170 -5.481 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.388 -5.625 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.649 -7.368 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.357 -7.711 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.118 -8.953 -2.022 1.00 0.00 H new ATOM 538 N SER A 32 7.888 -11.394 1.769 1.00 0.00 N ATOM 539 CA SER A 32 8.879 -12.058 2.608 1.00 0.00 C ATOM 540 C SER A 32 10.234 -12.112 1.910 1.00 0.00 C ATOM 541 O SER A 32 11.280 -12.031 2.554 1.00 0.00 O ATOM 542 CB SER A 32 8.416 -13.473 2.958 1.00 0.00 C ATOM 543 OG SER A 32 8.126 -14.219 1.788 1.00 0.00 O ATOM 0 H SER A 32 7.058 -11.954 1.573 1.00 0.00 H new ATOM 0 HA SER A 32 8.986 -11.481 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.190 -13.980 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.529 -13.423 3.590 1.00 0.00 H new ATOM 0 HG SER A 32 7.834 -15.120 2.039 1.00 0.00 H new ATOM 549 N ASP A 33 10.207 -12.249 0.589 1.00 0.00 N ATOM 550 CA ASP A 33 11.432 -12.313 -0.199 1.00 0.00 C ATOM 551 C ASP A 33 12.198 -10.996 -0.122 1.00 0.00 C ATOM 552 O ASP A 33 13.402 -10.950 -0.374 1.00 0.00 O ATOM 553 CB ASP A 33 11.110 -12.645 -1.657 1.00 0.00 C ATOM 554 CG ASP A 33 10.421 -13.987 -1.807 1.00 0.00 C ATOM 555 OD1 ASP A 33 11.131 -15.010 -1.902 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.173 -14.014 -1.829 1.00 0.00 O ATOM 0 H ASP A 33 9.349 -12.318 0.041 1.00 0.00 H new ATOM 0 HA ASP A 33 12.059 -13.102 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.473 -11.864 -2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.032 -12.646 -2.238 1.00 0.00 H new ATOM 561 N CYS A 34 11.491 -9.927 0.228 1.00 0.00 N ATOM 562 CA CYS A 34 12.103 -8.607 0.337 1.00 0.00 C ATOM 563 C CYS A 34 12.311 -8.223 1.798 1.00 0.00 C ATOM 564 O CYS A 34 11.630 -8.733 2.689 1.00 0.00 O ATOM 565 CB CYS A 34 11.234 -7.559 -0.360 1.00 0.00 C ATOM 566 SG CYS A 34 10.777 -7.989 -2.056 1.00 0.00 S ATOM 0 H CYS A 34 10.494 -9.948 0.441 1.00 0.00 H new ATOM 0 HA CYS A 34 13.076 -8.644 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.325 -7.410 0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.767 -6.608 -0.369 1.00 0.00 H new ATOM 0 HG CYS A 34 11.433 -7.234 -2.887 1.00 0.00 H new ATOM 572 N THR A 35 13.258 -7.322 2.039 1.00 0.00 N ATOM 573 CA THR A 35 13.558 -6.871 3.392 1.00 0.00 C ATOM 574 C THR A 35 12.960 -5.494 3.658 1.00 0.00 C ATOM 575 O THR A 35 13.656 -4.481 3.587 1.00 0.00 O ATOM 576 CB THR A 35 15.077 -6.816 3.642 1.00 0.00 C ATOM 577 OG1 THR A 35 15.657 -8.106 3.418 1.00 0.00 O ATOM 578 CG2 THR A 35 15.375 -6.359 5.062 1.00 0.00 C ATOM 0 H THR A 35 13.831 -6.890 1.314 1.00 0.00 H new ATOM 0 HA THR A 35 13.111 -7.595 4.073 1.00 0.00 H new ATOM 0 HB THR A 35 15.512 -6.097 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.623 -8.062 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.454 -6.328 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.957 -5.365 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.928 -7.057 5.770 1.00 0.00 H new ATOM 586 N ILE A 36 11.668 -5.465 3.967 1.00 0.00 N ATOM 587 CA ILE A 36 10.978 -4.212 4.246 1.00 0.00 C ATOM 588 C ILE A 36 11.729 -3.391 5.289 1.00 0.00 C ATOM 589 O ILE A 36 12.089 -3.898 6.352 1.00 0.00 O ATOM 590 CB ILE A 36 9.541 -4.459 4.741 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.731 -5.200 3.675 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.871 -3.141 5.102 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.445 -5.799 4.201 1.00 0.00 C ATOM 0 H ILE A 36 11.078 -6.295 4.030 1.00 0.00 H new ATOM 0 HA ILE A 36 10.940 -3.657 3.309 1.00 0.00 H new ATOM 0 HB ILE A 36 9.583 -5.080 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.496 -4.510 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.345 -5.994 3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.856 -3.332 5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.439 -2.649 5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.838 -2.497 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.923 -6.309 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.673 -6.514 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.811 -5.007 4.600 1.00 0.00 H new ATOM 605 N HIS A 37 11.961 -2.120 4.978 1.00 0.00 N ATOM 606 CA HIS A 37 12.668 -1.227 5.890 1.00 0.00 C ATOM 607 C HIS A 37 11.796 -0.876 7.092 1.00 0.00 C ATOM 608 O HIS A 37 10.679 -0.382 6.937 1.00 0.00 O ATOM 609 CB HIS A 37 13.090 0.050 5.162 1.00 0.00 C ATOM 610 CG HIS A 37 13.366 1.200 6.081 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.633 1.532 6.511 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.529 2.099 6.650 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.563 2.584 7.307 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.298 2.948 7.407 1.00 0.00 N ATOM 0 H HIS A 37 11.670 -1.685 4.102 1.00 0.00 H new ATOM 0 HA HIS A 37 13.558 -1.744 6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.983 -0.156 4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.305 0.335 4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.456 2.141 6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.399 3.065 7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.949 3.733 7.957 1.00 0.00 H new ATOM 623 N ASP A 38 12.312 -1.137 8.287 1.00 0.00 N ATOM 624 CA ASP A 38 11.581 -0.849 9.516 1.00 0.00 C ATOM 625 C ASP A 38 10.334 -1.721 9.623 1.00 0.00 C ATOM 626 O ASP A 38 9.366 -1.359 10.289 1.00 0.00 O ATOM 627 CB ASP A 38 11.191 0.629 9.567 1.00 0.00 C ATOM 628 CG ASP A 38 12.391 1.549 9.462 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.481 1.063 9.093 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.241 2.755 9.749 1.00 0.00 O ATOM 0 H ASP A 38 13.234 -1.548 8.432 1.00 0.00 H new ATOM 0 HA ASP A 38 12.233 -1.074 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.498 0.847 8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.663 0.830 10.499 1.00 0.00 H new ATOM 635 N GLY A 39 10.365 -2.874 8.960 1.00 0.00 N ATOM 636 CA GLY A 39 9.232 -3.779 8.993 1.00 0.00 C ATOM 637 C GLY A 39 7.905 -3.046 9.024 1.00 0.00 C ATOM 638 O GLY A 39 7.646 -2.181 8.187 1.00 0.00 O ATOM 0 H GLY A 39 11.155 -3.197 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.264 -4.429 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.309 -4.421 9.870 1.00 0.00 H new ATOM 642 N VAL A 40 7.061 -3.394 9.990 1.00 0.00 N ATOM 643 CA VAL A 40 5.753 -2.763 10.126 1.00 0.00 C ATOM 644 C VAL A 40 5.855 -1.250 9.976 1.00 0.00 C ATOM 645 O VAL A 40 4.939 -0.603 9.467 1.00 0.00 O ATOM 646 CB VAL A 40 5.111 -3.092 11.486 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.894 -4.591 11.627 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.970 -2.559 12.623 1.00 0.00 C ATOM 0 H VAL A 40 7.259 -4.109 10.690 1.00 0.00 H new ATOM 0 HA VAL A 40 5.124 -3.162 9.330 1.00 0.00 H new ATOM 0 HB VAL A 40 4.138 -2.603 11.536 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.439 -4.803 12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.235 -4.940 10.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.852 -5.106 11.555 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.501 -2.800 13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.958 -3.017 12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.067 -1.477 12.530 1.00 0.00 H new ATOM 658 N ALA A 41 6.975 -0.690 10.421 1.00 0.00 N ATOM 659 CA ALA A 41 7.198 0.748 10.335 1.00 0.00 C ATOM 660 C ALA A 41 7.691 1.144 8.947 1.00 0.00 C ATOM 661 O ALA A 41 8.337 2.177 8.779 1.00 0.00 O ATOM 662 CB ALA A 41 8.191 1.193 11.397 1.00 0.00 C ATOM 0 H ALA A 41 7.743 -1.211 10.845 1.00 0.00 H new ATOM 0 HA ALA A 41 6.247 1.250 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.348 2.269 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.799 0.953 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.139 0.677 11.248 1.00 0.00 H new ATOM 668 N GLY A 42 7.383 0.314 7.955 1.00 0.00 N ATOM 669 CA GLY A 42 7.804 0.595 6.595 1.00 0.00 C ATOM 670 C GLY A 42 6.671 0.462 5.598 1.00 0.00 C ATOM 671 O GLY A 42 6.763 0.952 4.472 1.00 0.00 O ATOM 0 H GLY A 42 6.850 -0.548 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.211 1.605 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.609 -0.087 6.319 1.00 0.00 H new ATOM 675 N VAL A 43 5.597 -0.205 6.010 1.00 0.00 N ATOM 676 CA VAL A 43 4.440 -0.402 5.144 1.00 0.00 C ATOM 677 C VAL A 43 3.474 0.773 5.242 1.00 0.00 C ATOM 678 O VAL A 43 3.092 1.188 6.337 1.00 0.00 O ATOM 679 CB VAL A 43 3.690 -1.700 5.497 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.481 -1.881 4.592 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.623 -2.898 5.399 1.00 0.00 C ATOM 0 H VAL A 43 5.504 -0.618 6.938 1.00 0.00 H new ATOM 0 HA VAL A 43 4.817 -0.475 4.124 1.00 0.00 H new ATOM 0 HB VAL A 43 3.337 -1.626 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.964 -2.803 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.803 -1.036 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.808 -1.933 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.076 -3.807 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.008 -2.977 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.454 -2.770 6.093 1.00 0.00 H new ATOM 691 N HIS A 44 3.081 1.306 4.090 1.00 0.00 N ATOM 692 CA HIS A 44 2.157 2.434 4.045 1.00 0.00 C ATOM 693 C HIS A 44 0.928 2.097 3.206 1.00 0.00 C ATOM 694 O HIS A 44 1.030 1.872 2.000 1.00 0.00 O ATOM 695 CB HIS A 44 2.855 3.670 3.475 1.00 0.00 C ATOM 696 CG HIS A 44 4.171 3.968 4.125 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.303 4.821 5.200 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.417 3.520 3.847 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.574 4.886 5.554 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.271 4.105 4.749 1.00 0.00 N ATOM 0 H HIS A 44 3.388 0.975 3.175 1.00 0.00 H new ATOM 0 HA HIS A 44 1.832 2.647 5.064 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.011 3.528 2.406 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.199 4.533 3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.689 2.830 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.975 5.477 6.364 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.280 3.960 4.791 1.00 0.00 H new ATOM 709 N PHE A 45 -0.232 2.062 3.853 1.00 0.00 N ATOM 710 CA PHE A 45 -1.481 1.751 3.167 1.00 0.00 C ATOM 711 C PHE A 45 -2.113 3.013 2.587 1.00 0.00 C ATOM 712 O PHE A 45 -1.874 4.119 3.074 1.00 0.00 O ATOM 713 CB PHE A 45 -2.459 1.071 4.127 1.00 0.00 C ATOM 714 CG PHE A 45 -2.157 -0.381 4.363 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.280 -0.766 5.365 1.00 0.00 C ATOM 716 CD2 PHE A 45 -2.750 -1.361 3.583 1.00 0.00 C ATOM 717 CE1 PHE A 45 -1.000 -2.101 5.583 1.00 0.00 C ATOM 718 CE2 PHE A 45 -2.473 -2.698 3.798 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.598 -3.069 4.799 1.00 0.00 C ATOM 0 H PHE A 45 -0.333 2.245 4.851 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.256 1.070 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.443 1.597 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.470 1.163 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.811 -0.014 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.436 -1.077 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.314 -2.388 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.941 -3.452 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.381 -4.113 4.969 1.00 0.00 H new ATOM 729 N ILE A 46 -2.919 2.839 1.545 1.00 0.00 N ATOM 730 CA ILE A 46 -3.586 3.963 0.900 1.00 0.00 C ATOM 731 C ILE A 46 -5.062 4.016 1.277 1.00 0.00 C ATOM 732 O ILE A 46 -5.737 2.988 1.331 1.00 0.00 O ATOM 733 CB ILE A 46 -3.461 3.886 -0.633 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.998 3.700 -1.039 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.039 5.139 -1.275 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.134 4.910 -0.761 1.00 0.00 C ATOM 0 H ILE A 46 -3.126 1.931 1.130 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.091 4.868 1.252 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.029 3.025 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.588 2.841 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.952 3.467 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.943 5.070 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.092 5.232 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.496 6.014 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.110 4.706 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.519 5.767 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.150 5.131 0.306 1.00 0.00 H new ATOM 748 N TYR A 47 -5.558 5.221 1.535 1.00 0.00 N ATOM 749 CA TYR A 47 -6.955 5.409 1.907 1.00 0.00 C ATOM 750 C TYR A 47 -7.671 6.304 0.900 1.00 0.00 C ATOM 751 O TYR A 47 -7.037 7.026 0.130 1.00 0.00 O ATOM 752 CB TYR A 47 -7.054 6.017 3.307 1.00 0.00 C ATOM 753 CG TYR A 47 -6.473 5.138 4.391 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.126 5.210 4.724 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.270 4.234 5.083 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.590 4.409 5.713 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.744 3.430 6.074 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.403 3.520 6.386 1.00 0.00 C ATOM 759 OH TYR A 47 -4.874 2.720 7.372 1.00 0.00 O ATOM 0 H TYR A 47 -5.013 6.082 1.493 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.439 4.433 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.538 6.977 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.101 6.216 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.487 5.905 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.320 4.159 4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.540 4.478 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.379 2.734 6.602 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.580 2.153 7.747 1.00 0.00 H new ATOM 769 N THR A 48 -9.000 6.253 0.912 1.00 0.00 N ATOM 770 CA THR A 48 -9.805 7.057 0.002 1.00 0.00 C ATOM 771 C THR A 48 -10.237 8.363 0.657 1.00 0.00 C ATOM 772 O THR A 48 -10.224 8.488 1.882 1.00 0.00 O ATOM 773 CB THR A 48 -11.057 6.292 -0.467 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.938 6.069 0.640 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.674 4.959 -1.092 1.00 0.00 C ATOM 0 H THR A 48 -9.541 5.662 1.543 1.00 0.00 H new ATOM 0 HA THR A 48 -9.178 7.277 -0.862 1.00 0.00 H new ATOM 0 HB THR A 48 -11.564 6.896 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.841 5.884 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.574 4.437 -1.416 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.027 5.133 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.146 4.351 -0.357 1.00 0.00 H new ATOM 783 N ARG A 49 -10.621 9.334 -0.165 1.00 0.00 N ATOM 784 CA ARG A 49 -11.057 10.632 0.336 1.00 0.00 C ATOM 785 C ARG A 49 -12.083 10.466 1.453 1.00 0.00 C ATOM 786 O ARG A 49 -12.223 11.335 2.313 1.00 0.00 O ATOM 787 CB ARG A 49 -11.654 11.466 -0.799 1.00 0.00 C ATOM 788 CG ARG A 49 -12.686 12.480 -0.333 1.00 0.00 C ATOM 789 CD ARG A 49 -12.056 13.554 0.541 1.00 0.00 C ATOM 790 NE ARG A 49 -11.383 14.579 -0.252 1.00 0.00 N ATOM 791 CZ ARG A 49 -12.008 15.620 -0.791 1.00 0.00 C ATOM 792 NH1 ARG A 49 -13.314 15.773 -0.622 1.00 0.00 N ATOM 793 NH2 ARG A 49 -11.326 16.511 -1.499 1.00 0.00 N ATOM 0 H ARG A 49 -10.639 9.246 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.186 11.149 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.850 11.990 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.116 10.797 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.158 12.944 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.472 11.971 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.826 14.019 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.340 13.094 1.222 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.378 14.491 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.841 15.091 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.792 16.573 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.321 16.397 -1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.807 17.310 -1.912 1.00 0.00 H new ATOM 807 N GLU A 50 -12.798 9.345 1.433 1.00 0.00 N ATOM 808 CA GLU A 50 -13.811 9.068 2.443 1.00 0.00 C ATOM 809 C GLU A 50 -13.211 8.305 3.621 1.00 0.00 C ATOM 810 O GLU A 50 -13.667 8.435 4.756 1.00 0.00 O ATOM 811 CB GLU A 50 -14.963 8.264 1.835 1.00 0.00 C ATOM 812 CG GLU A 50 -15.851 9.078 0.910 1.00 0.00 C ATOM 813 CD GLU A 50 -17.012 9.727 1.638 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.771 8.999 2.312 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.163 10.962 1.534 1.00 0.00 O ATOM 0 H GLU A 50 -12.694 8.615 0.728 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.194 10.021 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.553 7.420 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.572 7.852 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.253 9.850 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.237 8.432 0.121 1.00 0.00 H new ATOM 822 N GLY A 51 -12.184 7.508 3.341 1.00 0.00 N ATOM 823 CA GLY A 51 -11.538 6.736 4.386 1.00 0.00 C ATOM 824 C GLY A 51 -11.752 5.245 4.222 1.00 0.00 C ATOM 825 O GLY A 51 -12.076 4.548 5.183 1.00 0.00 O ATOM 0 H GLY A 51 -11.788 7.383 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.469 6.949 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.923 7.051 5.356 1.00 0.00 H new ATOM 829 N ARG A 52 -11.573 4.754 3.000 1.00 0.00 N ATOM 830 CA ARG A 52 -11.752 3.336 2.712 1.00 0.00 C ATOM 831 C ARG A 52 -10.485 2.740 2.105 1.00 0.00 C ATOM 832 O ARG A 52 -9.792 3.394 1.328 1.00 0.00 O ATOM 833 CB ARG A 52 -12.931 3.132 1.759 1.00 0.00 C ATOM 834 CG ARG A 52 -14.277 3.489 2.370 1.00 0.00 C ATOM 835 CD ARG A 52 -15.411 2.725 1.705 1.00 0.00 C ATOM 836 NE ARG A 52 -16.718 3.144 2.202 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.815 2.401 2.103 1.00 0.00 C ATOM 838 NH1 ARG A 52 -17.761 1.207 1.528 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.969 2.851 2.580 1.00 0.00 N ATOM 0 H ARG A 52 -11.304 5.317 2.193 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.960 2.824 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.775 3.738 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.952 2.091 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.264 3.267 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.451 4.560 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.367 2.877 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.281 1.657 1.882 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.793 4.057 2.650 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.876 0.857 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.604 0.638 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.015 3.768 3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.810 2.279 2.503 1.00 0.00 H new ATOM 853 N GLN A 53 -10.190 1.495 2.468 1.00 0.00 N ATOM 854 CA GLN A 53 -9.006 0.813 1.960 1.00 0.00 C ATOM 855 C GLN A 53 -9.109 0.593 0.454 1.00 0.00 C ATOM 856 O GLN A 53 -9.459 -0.495 -0.002 1.00 0.00 O ATOM 857 CB GLN A 53 -8.821 -0.529 2.671 1.00 0.00 C ATOM 858 CG GLN A 53 -8.090 -0.417 3.999 1.00 0.00 C ATOM 859 CD GLN A 53 -7.341 -1.684 4.362 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.512 -2.229 5.453 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.505 -2.160 3.447 1.00 0.00 N ATOM 0 H GLN A 53 -10.754 0.939 3.111 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.140 1.445 2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.799 -0.979 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.269 -1.204 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.388 0.415 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.808 -0.186 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.394 -1.676 2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.973 -3.010 3.635 1.00 0.00 H new ATOM 870 N SER A 54 -8.801 1.634 -0.313 1.00 0.00 N ATOM 871 CA SER A 54 -8.862 1.556 -1.768 1.00 0.00 C ATOM 872 C SER A 54 -8.185 0.286 -2.273 1.00 0.00 C ATOM 873 O SER A 54 -8.524 -0.231 -3.337 1.00 0.00 O ATOM 874 CB SER A 54 -8.200 2.785 -2.394 1.00 0.00 C ATOM 875 OG SER A 54 -8.484 2.867 -3.780 1.00 0.00 O ATOM 0 H SER A 54 -8.507 2.541 0.049 1.00 0.00 H new ATOM 0 HA SER A 54 -9.911 1.528 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.553 3.687 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.122 2.738 -2.243 1.00 0.00 H new ATOM 0 HG SER A 54 -8.051 3.662 -4.156 1.00 0.00 H new ATOM 881 N GLY A 55 -7.223 -0.212 -1.501 1.00 0.00 N ATOM 882 CA GLY A 55 -6.512 -1.417 -1.885 1.00 0.00 C ATOM 883 C GLY A 55 -5.030 -1.174 -2.093 1.00 0.00 C ATOM 884 O GLY A 55 -4.204 -2.022 -1.760 1.00 0.00 O ATOM 0 H GLY A 55 -6.924 0.198 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.648 -2.176 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.945 -1.813 -2.804 1.00 0.00 H new ATOM 888 N GLU A 56 -4.694 -0.013 -2.648 1.00 0.00 N ATOM 889 CA GLU A 56 -3.302 0.337 -2.902 1.00 0.00 C ATOM 890 C GLU A 56 -2.543 0.536 -1.593 1.00 0.00 C ATOM 891 O GLU A 56 -3.079 1.083 -0.630 1.00 0.00 O ATOM 892 CB GLU A 56 -3.218 1.607 -3.751 1.00 0.00 C ATOM 893 CG GLU A 56 -3.346 1.351 -5.243 1.00 0.00 C ATOM 894 CD GLU A 56 -3.433 2.632 -6.050 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.944 3.637 -5.512 1.00 0.00 O ATOM 896 OE2 GLU A 56 -2.989 2.630 -7.217 1.00 0.00 O ATOM 0 H GLU A 56 -5.367 0.700 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.841 -0.487 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.005 2.294 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.267 2.102 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.489 0.770 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.234 0.748 -5.429 1.00 0.00 H new ATOM 903 N ALA A 57 -1.292 0.087 -1.566 1.00 0.00 N ATOM 904 CA ALA A 57 -0.459 0.217 -0.377 1.00 0.00 C ATOM 905 C ALA A 57 1.021 0.122 -0.731 1.00 0.00 C ATOM 906 O ALA A 57 1.466 -0.862 -1.322 1.00 0.00 O ATOM 907 CB ALA A 57 -0.829 -0.847 0.645 1.00 0.00 C ATOM 0 H ALA A 57 -0.833 -0.370 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.639 1.200 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.199 -0.738 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.875 -0.731 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.679 -1.836 0.212 1.00 0.00 H new ATOM 913 N PHE A 58 1.779 1.151 -0.367 1.00 0.00 N ATOM 914 CA PHE A 58 3.209 1.184 -0.648 1.00 0.00 C ATOM 915 C PHE A 58 3.987 0.391 0.398 1.00 0.00 C ATOM 916 O PHE A 58 3.437 -0.013 1.423 1.00 0.00 O ATOM 917 CB PHE A 58 3.710 2.630 -0.684 1.00 0.00 C ATOM 918 CG PHE A 58 3.258 3.390 -1.898 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.923 3.723 -2.065 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.167 3.773 -2.871 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.504 4.423 -3.181 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.754 4.473 -3.989 1.00 0.00 C ATOM 923 CZ PHE A 58 2.421 4.799 -4.143 1.00 0.00 C ATOM 0 H PHE A 58 1.426 1.973 0.123 1.00 0.00 H new ATOM 0 HA PHE A 58 3.373 0.725 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.363 3.149 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.799 2.630 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.202 3.432 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.211 3.522 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.461 4.676 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.473 4.764 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.096 5.347 -5.015 1.00 0.00 H new ATOM 933 N VAL A 59 5.271 0.171 0.131 1.00 0.00 N ATOM 934 CA VAL A 59 6.126 -0.574 1.048 1.00 0.00 C ATOM 935 C VAL A 59 7.592 -0.203 0.856 1.00 0.00 C ATOM 936 O VAL A 59 8.110 -0.242 -0.259 1.00 0.00 O ATOM 937 CB VAL A 59 5.962 -2.093 0.859 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.875 -2.851 1.811 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.511 -2.502 1.061 1.00 0.00 C ATOM 0 H VAL A 59 5.742 0.498 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 59 5.816 -0.306 2.058 1.00 0.00 H new ATOM 0 HB VAL A 59 6.248 -2.347 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.745 -3.923 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.912 -2.580 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.622 -2.594 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.414 -3.579 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.195 -2.235 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.883 -1.986 0.335 1.00 0.00 H new ATOM 949 N GLU A 60 8.255 0.155 1.951 1.00 0.00 N ATOM 950 CA GLU A 60 9.662 0.533 1.902 1.00 0.00 C ATOM 951 C GLU A 60 10.560 -0.697 2.004 1.00 0.00 C ATOM 952 O GLU A 60 10.233 -1.662 2.697 1.00 0.00 O ATOM 953 CB GLU A 60 9.990 1.512 3.031 1.00 0.00 C ATOM 954 CG GLU A 60 9.472 2.920 2.786 1.00 0.00 C ATOM 955 CD GLU A 60 10.214 3.964 3.596 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.315 4.373 3.170 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.696 4.372 4.656 1.00 0.00 O ATOM 0 H GLU A 60 7.840 0.191 2.882 1.00 0.00 H new ATOM 0 HA GLU A 60 9.848 1.019 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.566 1.135 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.071 1.550 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.562 3.157 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.411 2.961 3.033 1.00 0.00 H new ATOM 964 N LEU A 61 11.691 -0.656 1.309 1.00 0.00 N ATOM 965 CA LEU A 61 12.636 -1.767 1.320 1.00 0.00 C ATOM 966 C LEU A 61 13.943 -1.363 1.994 1.00 0.00 C ATOM 967 O LEU A 61 14.114 -0.213 2.399 1.00 0.00 O ATOM 968 CB LEU A 61 12.911 -2.243 -0.107 1.00 0.00 C ATOM 969 CG LEU A 61 11.688 -2.668 -0.920 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.090 -3.020 -2.344 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.988 -3.845 -0.255 1.00 0.00 C ATOM 0 H LEU A 61 11.976 0.134 0.731 1.00 0.00 H new ATOM 0 HA LEU A 61 12.192 -2.584 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.419 -1.442 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.602 -3.085 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 61 10.991 -1.831 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.207 -3.320 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.546 -2.151 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.806 -3.841 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.120 -4.134 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.677 -4.687 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.665 -3.558 0.746 1.00 0.00 H new ATOM 983 N GLU A 62 14.864 -2.315 2.109 1.00 0.00 N ATOM 984 CA GLU A 62 16.156 -2.057 2.732 1.00 0.00 C ATOM 985 C GLU A 62 17.212 -1.730 1.680 1.00 0.00 C ATOM 986 O GLU A 62 18.015 -0.814 1.855 1.00 0.00 O ATOM 987 CB GLU A 62 16.600 -3.266 3.559 1.00 0.00 C ATOM 988 CG GLU A 62 17.949 -3.081 4.231 1.00 0.00 C ATOM 989 CD GLU A 62 17.938 -1.974 5.267 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.382 -2.192 6.364 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.487 -0.889 4.981 1.00 0.00 O ATOM 0 H GLU A 62 14.739 -3.272 1.779 1.00 0.00 H new ATOM 0 HA GLU A 62 16.047 -1.196 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.848 -3.470 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.643 -4.142 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.245 -4.016 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.700 -2.857 3.474 1.00 0.00 H new ATOM 998 N SER A 63 17.205 -2.488 0.588 1.00 0.00 N ATOM 999 CA SER A 63 18.165 -2.284 -0.490 1.00 0.00 C ATOM 1000 C SER A 63 17.489 -2.416 -1.852 1.00 0.00 C ATOM 1001 O SER A 63 16.304 -2.737 -1.939 1.00 0.00 O ATOM 1002 CB SER A 63 19.313 -3.289 -0.378 1.00 0.00 C ATOM 1003 OG SER A 63 19.843 -3.313 0.935 1.00 0.00 O ATOM 0 H SER A 63 16.545 -3.249 0.427 1.00 0.00 H new ATOM 0 HA SER A 63 18.566 -1.275 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.958 -4.283 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.099 -3.028 -1.086 1.00 0.00 H new ATOM 0 HG SER A 63 20.574 -3.964 0.981 1.00 0.00 H new ATOM 1009 N GLU A 64 18.251 -2.166 -2.911 1.00 0.00 N ATOM 1010 CA GLU A 64 17.726 -2.257 -4.268 1.00 0.00 C ATOM 1011 C GLU A 64 17.235 -3.670 -4.569 1.00 0.00 C ATOM 1012 O GLU A 64 16.073 -3.874 -4.921 1.00 0.00 O ATOM 1013 CB GLU A 64 18.798 -1.851 -5.282 1.00 0.00 C ATOM 1014 CG GLU A 64 18.265 -1.678 -6.695 1.00 0.00 C ATOM 1015 CD GLU A 64 19.321 -1.174 -7.659 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.494 -1.579 -7.520 1.00 0.00 O ATOM 1017 OE2 GLU A 64 18.974 -0.374 -8.553 1.00 0.00 O ATOM 0 H GLU A 64 19.234 -1.899 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 64 16.881 -1.573 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.257 -0.917 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.584 -2.606 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.878 -2.632 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.428 -0.980 -6.681 1.00 0.00 H new ATOM 1024 N ASP A 65 18.129 -4.643 -4.427 1.00 0.00 N ATOM 1025 CA ASP A 65 17.788 -6.038 -4.682 1.00 0.00 C ATOM 1026 C ASP A 65 16.344 -6.326 -4.284 1.00 0.00 C ATOM 1027 O ASP A 65 15.596 -6.954 -5.034 1.00 0.00 O ATOM 1028 CB ASP A 65 18.735 -6.964 -3.919 1.00 0.00 C ATOM 1029 CG ASP A 65 18.358 -8.425 -4.065 1.00 0.00 C ATOM 1030 OD1 ASP A 65 18.000 -8.837 -5.188 1.00 0.00 O ATOM 1031 OD2 ASP A 65 18.423 -9.158 -3.056 1.00 0.00 O ATOM 0 H ASP A 65 19.095 -4.491 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 65 17.895 -6.223 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.753 -6.816 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.730 -6.694 -2.863 1.00 0.00 H new ATOM 1036 N ASP A 66 15.959 -5.864 -3.100 1.00 0.00 N ATOM 1037 CA ASP A 66 14.604 -6.071 -2.601 1.00 0.00 C ATOM 1038 C ASP A 66 13.572 -5.703 -3.663 1.00 0.00 C ATOM 1039 O ASP A 66 12.646 -6.467 -3.935 1.00 0.00 O ATOM 1040 CB ASP A 66 14.371 -5.244 -1.336 1.00 0.00 C ATOM 1041 CG ASP A 66 15.138 -5.781 -0.144 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.128 -7.013 0.063 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.749 -4.970 0.582 1.00 0.00 O ATOM 0 H ASP A 66 16.566 -5.343 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 66 14.489 -7.128 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.668 -4.212 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.306 -5.233 -1.104 1.00 0.00 H new ATOM 1048 N VAL A 67 13.738 -4.526 -4.259 1.00 0.00 N ATOM 1049 CA VAL A 67 12.821 -4.056 -5.290 1.00 0.00 C ATOM 1050 C VAL A 67 12.653 -5.096 -6.392 1.00 0.00 C ATOM 1051 O VAL A 67 11.555 -5.601 -6.622 1.00 0.00 O ATOM 1052 CB VAL A 67 13.310 -2.736 -5.915 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.362 -2.284 -7.016 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.451 -1.661 -4.848 1.00 0.00 C ATOM 0 H VAL A 67 14.499 -3.881 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 67 11.859 -3.886 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 67 14.291 -2.906 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.723 -1.350 -7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.316 -3.047 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.367 -2.130 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.797 -0.735 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.485 -1.491 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.172 -1.985 -4.098 1.00 0.00 H new ATOM 1064 N LYS A 68 13.751 -5.413 -7.071 1.00 0.00 N ATOM 1065 CA LYS A 68 13.727 -6.394 -8.149 1.00 0.00 C ATOM 1066 C LYS A 68 12.960 -7.644 -7.730 1.00 0.00 C ATOM 1067 O LYS A 68 12.181 -8.197 -8.507 1.00 0.00 O ATOM 1068 CB LYS A 68 15.154 -6.771 -8.554 1.00 0.00 C ATOM 1069 CG LYS A 68 16.017 -5.576 -8.922 1.00 0.00 C ATOM 1070 CD LYS A 68 17.452 -5.990 -9.201 1.00 0.00 C ATOM 1071 CE LYS A 68 18.396 -4.798 -9.150 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.361 -4.008 -10.412 1.00 0.00 N ATOM 0 H LYS A 68 14.669 -5.004 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 68 13.219 -5.946 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.626 -7.310 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.114 -7.455 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.602 -5.083 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.998 -4.849 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.765 -6.735 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.512 -6.461 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.125 -4.156 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.412 -5.147 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.018 -3.205 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.644 -4.614 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.397 -3.653 -10.573 1.00 0.00 H new ATOM 1086 N LEU A 69 13.184 -8.085 -6.497 1.00 0.00 N ATOM 1087 CA LEU A 69 12.512 -9.269 -5.973 1.00 0.00 C ATOM 1088 C LEU A 69 11.014 -9.025 -5.827 1.00 0.00 C ATOM 1089 O LEU A 69 10.197 -9.828 -6.278 1.00 0.00 O ATOM 1090 CB LEU A 69 13.110 -9.663 -4.621 1.00 0.00 C ATOM 1091 CG LEU A 69 14.609 -9.964 -4.613 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.140 -9.991 -3.188 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.892 -11.285 -5.314 1.00 0.00 C ATOM 0 H LEU A 69 13.826 -7.640 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 69 12.661 -10.084 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.918 -8.857 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.581 -10.543 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 69 15.122 -9.170 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.208 -10.207 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.971 -9.022 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.621 -10.764 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.964 -11.483 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.367 -12.090 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.548 -11.230 -6.347 1.00 0.00 H new ATOM 1105 N ALA A 70 10.659 -7.911 -5.197 1.00 0.00 N ATOM 1106 CA ALA A 70 9.259 -7.559 -4.995 1.00 0.00 C ATOM 1107 C ALA A 70 8.482 -7.626 -6.306 1.00 0.00 C ATOM 1108 O ALA A 70 7.377 -8.166 -6.357 1.00 0.00 O ATOM 1109 CB ALA A 70 9.146 -6.170 -4.384 1.00 0.00 C ATOM 0 H ALA A 70 11.322 -7.236 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 70 8.824 -8.283 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.095 -5.921 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.659 -6.153 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.603 -5.440 -5.052 1.00 0.00 H new ATOM 1115 N LEU A 71 9.067 -7.074 -7.363 1.00 0.00 N ATOM 1116 CA LEU A 71 8.429 -7.071 -8.675 1.00 0.00 C ATOM 1117 C LEU A 71 8.114 -8.492 -9.131 1.00 0.00 C ATOM 1118 O LEU A 71 7.257 -8.705 -9.990 1.00 0.00 O ATOM 1119 CB LEU A 71 9.331 -6.383 -9.701 1.00 0.00 C ATOM 1120 CG LEU A 71 9.681 -4.922 -9.414 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.777 -4.442 -10.353 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.445 -4.043 -9.541 1.00 0.00 C ATOM 0 H LEU A 71 9.981 -6.623 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 71 7.493 -6.519 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.259 -6.950 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.845 -6.435 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 71 10.050 -4.850 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.013 -3.401 -10.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.669 -5.053 -10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.436 -4.528 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.712 -3.007 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.047 -4.119 -10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.689 -4.372 -8.828 1.00 0.00 H new ATOM 1134 N LYS A 72 8.810 -9.463 -8.549 1.00 0.00 N ATOM 1135 CA LYS A 72 8.603 -10.865 -8.891 1.00 0.00 C ATOM 1136 C LYS A 72 7.310 -11.391 -8.274 1.00 0.00 C ATOM 1137 O LYS A 72 6.801 -12.439 -8.672 1.00 0.00 O ATOM 1138 CB LYS A 72 9.788 -11.708 -8.415 1.00 0.00 C ATOM 1139 CG LYS A 72 11.133 -11.190 -8.893 1.00 0.00 C ATOM 1140 CD LYS A 72 12.256 -12.155 -8.550 1.00 0.00 C ATOM 1141 CE LYS A 72 13.614 -11.588 -8.931 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.717 -12.548 -8.644 1.00 0.00 N ATOM 0 H LYS A 72 9.523 -9.304 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 72 8.524 -10.940 -9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.786 -11.739 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.658 -12.732 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.102 -11.035 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.333 -10.220 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.238 -12.371 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.096 -13.100 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.618 -11.337 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.787 -10.662 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.632 -12.060 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.608 -12.924 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.682 -13.331 -9.328 1.00 0.00 H new ATOM 1156 N LYS A 73 6.783 -10.656 -7.301 1.00 0.00 N ATOM 1157 CA LYS A 73 5.549 -11.046 -6.630 1.00 0.00 C ATOM 1158 C LYS A 73 4.331 -10.529 -7.388 1.00 0.00 C ATOM 1159 O LYS A 73 3.223 -10.492 -6.851 1.00 0.00 O ATOM 1160 CB LYS A 73 5.534 -10.513 -5.195 1.00 0.00 C ATOM 1161 CG LYS A 73 6.851 -10.699 -4.463 1.00 0.00 C ATOM 1162 CD LYS A 73 7.074 -12.152 -4.076 1.00 0.00 C ATOM 1163 CE LYS A 73 6.242 -12.538 -2.862 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.863 -13.978 -2.886 1.00 0.00 N ATOM 0 H LYS A 73 7.192 -9.786 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 73 5.506 -12.135 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.285 -9.452 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.744 -11.016 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.671 -10.360 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.862 -10.077 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.816 -12.797 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.130 -12.315 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.805 -12.326 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.341 -11.926 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.574 -14.277 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.073 -14.118 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.678 -14.546 -3.194 1.00 0.00 H new ATOM 1178 N ASP A 74 4.542 -10.132 -8.638 1.00 0.00 N ATOM 1179 CA ASP A 74 3.461 -9.619 -9.471 1.00 0.00 C ATOM 1180 C ASP A 74 2.415 -10.700 -9.730 1.00 0.00 C ATOM 1181 O ASP A 74 2.708 -11.893 -9.649 1.00 0.00 O ATOM 1182 CB ASP A 74 4.014 -9.099 -10.799 1.00 0.00 C ATOM 1183 CG ASP A 74 4.108 -10.186 -11.852 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.251 -11.368 -11.475 1.00 0.00 O ATOM 1185 OD2 ASP A 74 4.040 -9.854 -13.054 1.00 0.00 O ATOM 0 H ASP A 74 5.453 -10.156 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 74 2.984 -8.796 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.375 -8.296 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.002 -8.670 -10.635 1.00 0.00 H new ATOM 1190 N ARG A 75 1.195 -10.274 -10.040 1.00 0.00 N ATOM 1191 CA ARG A 75 0.106 -11.205 -10.308 1.00 0.00 C ATOM 1192 C ARG A 75 0.093 -12.336 -9.284 1.00 0.00 C ATOM 1193 O ARG A 75 -0.268 -13.468 -9.602 1.00 0.00 O ATOM 1194 CB ARG A 75 0.235 -11.781 -11.719 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.453 -10.943 -12.785 1.00 0.00 C ATOM 1196 CD ARG A 75 0.110 -11.229 -14.168 1.00 0.00 C ATOM 1197 NE ARG A 75 1.314 -10.449 -14.441 1.00 0.00 N ATOM 1198 CZ ARG A 75 1.301 -9.149 -14.714 1.00 0.00 C ATOM 1199 NH1 ARG A 75 0.153 -8.487 -14.750 1.00 0.00 N ATOM 1200 NH2 ARG A 75 2.439 -8.508 -14.951 1.00 0.00 N ATOM 0 H ARG A 75 0.936 -9.290 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.834 -10.658 -10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.292 -11.875 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.186 -12.786 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.523 -11.149 -12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.331 -9.885 -12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.339 -12.291 -14.253 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.646 -11.004 -14.921 1.00 0.00 H new ATOM 0 HE ARG A 75 2.214 -10.929 -14.421 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.724 -8.976 -14.568 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.146 -7.489 -14.960 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.324 -9.014 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.428 -7.510 -15.161 1.00 0.00 H new ATOM 1214 N GLU A 76 0.492 -12.020 -8.056 1.00 0.00 N ATOM 1215 CA GLU A 76 0.527 -13.011 -6.987 1.00 0.00 C ATOM 1216 C GLU A 76 -0.859 -13.206 -6.379 1.00 0.00 C ATOM 1217 O GLU A 76 -1.823 -12.554 -6.782 1.00 0.00 O ATOM 1218 CB GLU A 76 1.517 -12.586 -5.900 1.00 0.00 C ATOM 1219 CG GLU A 76 2.930 -13.095 -6.130 1.00 0.00 C ATOM 1220 CD GLU A 76 3.057 -14.588 -5.897 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.777 -15.361 -6.838 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.435 -14.984 -4.775 1.00 0.00 O ATOM 0 H GLU A 76 0.795 -11.087 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 76 0.853 -13.959 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.537 -11.498 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.162 -12.948 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.234 -12.863 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.615 -12.568 -5.466 1.00 0.00 H new ATOM 1229 N SER A 77 -0.952 -14.108 -5.408 1.00 0.00 N ATOM 1230 CA SER A 77 -2.220 -14.393 -4.747 1.00 0.00 C ATOM 1231 C SER A 77 -2.062 -14.358 -3.230 1.00 0.00 C ATOM 1232 O SER A 77 -1.392 -15.208 -2.645 1.00 0.00 O ATOM 1233 CB SER A 77 -2.751 -15.760 -5.184 1.00 0.00 C ATOM 1234 OG SER A 77 -1.824 -16.788 -4.883 1.00 0.00 O ATOM 0 H SER A 77 -0.164 -14.655 -5.061 1.00 0.00 H new ATOM 0 HA SER A 77 -2.934 -13.623 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.698 -15.962 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.952 -15.750 -6.255 1.00 0.00 H new ATOM 0 HG SER A 77 -1.321 -16.549 -4.076 1.00 0.00 H new ATOM 1240 N MET A 78 -2.686 -13.368 -2.600 1.00 0.00 N ATOM 1241 CA MET A 78 -2.616 -13.221 -1.150 1.00 0.00 C ATOM 1242 C MET A 78 -3.928 -13.646 -0.497 1.00 0.00 C ATOM 1243 O MET A 78 -4.963 -13.010 -0.690 1.00 0.00 O ATOM 1244 CB MET A 78 -2.293 -11.773 -0.778 1.00 0.00 C ATOM 1245 CG MET A 78 -2.421 -11.486 0.710 1.00 0.00 C ATOM 1246 SD MET A 78 -2.552 -9.723 1.067 1.00 0.00 S ATOM 1247 CE MET A 78 -0.842 -9.216 0.905 1.00 0.00 C ATOM 0 H MET A 78 -3.245 -12.656 -3.070 1.00 0.00 H new ATOM 0 HA MET A 78 -1.821 -13.869 -0.782 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.277 -11.542 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.960 -11.108 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.300 -11.998 1.101 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.555 -11.895 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.680 -8.298 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.192 -10.000 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.612 -9.041 -0.146 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.876 -14.727 0.276 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.067 -15.218 0.944 1.00 0.00 C ATOM 1259 C GLY A 79 -6.120 -15.706 -0.031 1.00 0.00 C ATOM 1260 O GLY A 79 -5.995 -16.791 -0.599 1.00 0.00 O ATOM 0 H GLY A 79 -3.031 -15.271 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.794 -16.032 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.488 -14.423 1.560 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.162 -14.904 -0.225 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.242 -15.260 -1.137 1.00 0.00 C ATOM 1266 C HIS A 80 -8.410 -14.200 -2.222 1.00 0.00 C ATOM 1267 O HIS A 80 -9.459 -14.112 -2.859 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.552 -15.431 -0.368 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.046 -14.166 0.264 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.236 -13.564 -0.087 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.503 -13.389 1.230 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.403 -12.471 0.635 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.365 -12.342 1.443 1.00 0.00 N ATOM 0 H HIS A 80 -7.281 -14.003 0.238 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.984 -16.205 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.315 -15.810 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.413 -16.184 0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.566 -13.561 1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.245 -11.797 0.575 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.227 -11.587 2.115 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.369 -13.398 -2.424 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.403 -12.343 -3.430 1.00 0.00 C ATOM 1284 C ARG A 81 -6.079 -12.271 -4.186 1.00 0.00 C ATOM 1285 O ARG A 81 -5.107 -12.931 -3.820 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.702 -10.994 -2.774 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.088 -10.910 -2.157 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.620 -9.486 -2.174 1.00 0.00 C ATOM 1289 NE ARG A 81 -11.079 -9.447 -2.237 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.863 -9.510 -1.166 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.331 -9.612 0.044 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -13.182 -9.469 -1.304 1.00 0.00 N ATOM 0 H ARG A 81 -6.493 -13.459 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.196 -12.577 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.958 -10.803 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.597 -10.206 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.771 -11.561 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.053 -11.274 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.282 -8.962 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.206 -8.955 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.520 -9.367 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.317 -9.642 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.935 -9.660 0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.595 -9.389 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.783 -9.517 -0.481 1.00 0.00 H new ATOM 1306 N TYR A 82 -6.051 -11.466 -5.242 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.849 -11.310 -6.052 1.00 0.00 C ATOM 1308 C TYR A 82 -4.124 -10.013 -5.708 1.00 0.00 C ATOM 1309 O TYR A 82 -4.742 -9.041 -5.273 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.204 -11.330 -7.540 1.00 0.00 C ATOM 1311 CG TYR A 82 -5.120 -12.704 -8.165 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -6.098 -13.661 -7.922 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -4.063 -13.045 -9.000 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -6.025 -14.917 -8.490 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.983 -14.299 -9.574 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.965 -15.232 -9.315 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.889 -16.482 -9.885 1.00 0.00 O ATOM 0 H TYR A 82 -6.847 -10.911 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.184 -12.145 -5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.215 -10.943 -7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.534 -10.656 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.930 -13.418 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.291 -12.318 -9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.793 -15.649 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.156 -14.547 -10.222 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.083 -16.541 -10.439 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.811 -10.006 -5.907 1.00 0.00 N ATOM 1328 CA ILE A 83 -2.001 -8.828 -5.619 1.00 0.00 C ATOM 1329 C ILE A 83 -1.155 -8.435 -6.825 1.00 0.00 C ATOM 1330 O ILE A 83 -0.643 -9.294 -7.542 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.076 -9.062 -4.410 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.846 -9.740 -3.275 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.477 -7.745 -3.939 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.022 -8.931 -2.774 1.00 0.00 C ATOM 0 H ILE A 83 -2.285 -10.802 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.693 -8.019 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.262 -9.720 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.203 -10.711 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.164 -9.927 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.174 -7.927 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.102 -7.299 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.277 -7.065 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.521 -9.473 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.669 -7.970 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.725 -8.766 -3.591 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.010 -7.131 -7.040 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.224 -6.625 -8.159 1.00 0.00 C ATOM 1348 C GLU A 84 0.876 -5.687 -7.671 1.00 0.00 C ATOM 1349 O GLU A 84 0.600 -4.624 -7.114 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.126 -5.895 -9.157 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.085 -6.814 -9.895 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.979 -6.066 -10.864 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.442 -5.393 -11.769 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.217 -6.153 -10.719 1.00 0.00 O ATOM 0 H GLU A 84 -1.426 -6.407 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 84 0.242 -7.476 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.700 -5.135 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.503 -5.374 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.515 -7.567 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.704 -7.345 -9.171 1.00 0.00 H new ATOM 1361 N VAL A 85 2.126 -6.088 -7.883 1.00 0.00 N ATOM 1362 CA VAL A 85 3.268 -5.284 -7.465 1.00 0.00 C ATOM 1363 C VAL A 85 3.566 -4.185 -8.479 1.00 0.00 C ATOM 1364 O VAL A 85 3.410 -4.378 -9.685 1.00 0.00 O ATOM 1365 CB VAL A 85 4.527 -6.152 -7.280 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.707 -5.296 -6.847 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.265 -7.262 -6.274 1.00 0.00 C ATOM 0 H VAL A 85 2.373 -6.965 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 85 3.004 -4.831 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 85 4.775 -6.611 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.587 -5.927 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.907 -4.541 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.474 -4.806 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.165 -7.866 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.992 -6.825 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.450 -7.892 -6.631 1.00 0.00 H new ATOM 1377 N PHE A 86 3.998 -3.031 -7.981 1.00 0.00 N ATOM 1378 CA PHE A 86 4.318 -1.899 -8.843 1.00 0.00 C ATOM 1379 C PHE A 86 5.586 -1.196 -8.369 1.00 0.00 C ATOM 1380 O PHE A 86 5.701 -0.816 -7.203 1.00 0.00 O ATOM 1381 CB PHE A 86 3.153 -0.908 -8.873 1.00 0.00 C ATOM 1382 CG PHE A 86 1.976 -1.390 -9.672 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.133 -1.795 -10.987 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.711 -1.438 -9.107 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.052 -2.239 -11.725 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.373 -1.882 -9.840 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.203 -2.282 -11.151 1.00 0.00 C ATOM 0 H PHE A 86 4.134 -2.855 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 86 4.489 -2.279 -9.850 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.831 -0.708 -7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.501 0.037 -9.289 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.112 -1.764 -11.441 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.571 -1.125 -8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.189 -2.552 -12.750 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.353 -1.916 -9.388 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.050 -2.628 -11.726 1.00 0.00 H new ATOM 1397 N LYS A 87 6.538 -1.026 -9.281 1.00 0.00 N ATOM 1398 CA LYS A 87 7.798 -0.368 -8.959 1.00 0.00 C ATOM 1399 C LYS A 87 7.593 1.128 -8.745 1.00 0.00 C ATOM 1400 O LYS A 87 7.186 1.845 -9.659 1.00 0.00 O ATOM 1401 CB LYS A 87 8.818 -0.599 -10.077 1.00 0.00 C ATOM 1402 CG LYS A 87 10.259 -0.579 -9.599 1.00 0.00 C ATOM 1403 CD LYS A 87 10.677 0.810 -9.147 1.00 0.00 C ATOM 1404 CE LYS A 87 12.016 0.782 -8.425 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.545 2.153 -8.184 1.00 0.00 N ATOM 0 H LYS A 87 6.460 -1.335 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 87 8.178 -0.800 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.614 -1.559 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.687 0.167 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.380 -1.282 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.915 -0.914 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.742 1.471 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.915 1.224 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.904 0.263 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.735 0.214 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.458 2.091 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.676 2.640 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.871 2.687 -7.599 1.00 0.00 H new ATOM 1419 N SER A 88 7.878 1.593 -7.533 1.00 0.00 N ATOM 1420 CA SER A 88 7.722 3.003 -7.198 1.00 0.00 C ATOM 1421 C SER A 88 8.833 3.466 -6.262 1.00 0.00 C ATOM 1422 O SER A 88 9.500 2.653 -5.622 1.00 0.00 O ATOM 1423 CB SER A 88 6.358 3.248 -6.550 1.00 0.00 C ATOM 1424 OG SER A 88 5.884 4.553 -6.834 1.00 0.00 O ATOM 0 H SER A 88 8.218 1.013 -6.766 1.00 0.00 H new ATOM 0 HA SER A 88 7.786 3.579 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.642 2.511 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.435 3.113 -5.471 1.00 0.00 H new ATOM 0 HG SER A 88 4.914 4.585 -6.699 1.00 0.00 H new ATOM 1430 N HIS A 89 9.027 4.779 -6.187 1.00 0.00 N ATOM 1431 CA HIS A 89 10.058 5.352 -5.328 1.00 0.00 C ATOM 1432 C HIS A 89 9.454 5.869 -4.026 1.00 0.00 C ATOM 1433 O HIS A 89 8.258 5.711 -3.779 1.00 0.00 O ATOM 1434 CB HIS A 89 10.783 6.486 -6.053 1.00 0.00 C ATOM 1435 CG HIS A 89 9.873 7.360 -6.859 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.616 8.676 -6.538 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.159 7.101 -7.979 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.781 9.189 -7.425 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.490 8.253 -8.311 1.00 0.00 N ATOM 0 H HIS A 89 8.484 5.466 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 89 10.775 4.567 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.306 7.099 -5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.541 6.060 -6.711 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.122 6.163 -8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.402 10.200 -7.425 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.869 8.368 -9.112 1.00 0.00 H new ATOM 1448 N ARG A 90 10.289 6.487 -3.196 1.00 0.00 N ATOM 1449 CA ARG A 90 9.838 7.025 -1.919 1.00 0.00 C ATOM 1450 C ARG A 90 9.060 8.322 -2.120 1.00 0.00 C ATOM 1451 O ARG A 90 7.870 8.401 -1.811 1.00 0.00 O ATOM 1452 CB ARG A 90 11.032 7.271 -0.995 1.00 0.00 C ATOM 1453 CG ARG A 90 10.709 8.164 0.192 1.00 0.00 C ATOM 1454 CD ARG A 90 9.835 7.445 1.208 1.00 0.00 C ATOM 1455 NE ARG A 90 9.520 8.293 2.356 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.400 8.611 3.298 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.644 8.155 3.230 1.00 0.00 N ATOM 1458 NH2 ARG A 90 10.038 9.387 4.311 1.00 0.00 N ATOM 0 H ARG A 90 11.281 6.627 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 90 9.176 6.292 -1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.401 6.313 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.839 7.724 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.635 8.486 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.200 9.063 -0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.910 7.125 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.344 6.544 1.551 1.00 0.00 H new ATOM 0 HE ARG A 90 8.572 8.661 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.927 7.558 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.318 8.401 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.083 9.740 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.715 9.631 5.034 1.00 0.00 H new ATOM 1472 N THR A 91 9.740 9.340 -2.639 1.00 0.00 N ATOM 1473 CA THR A 91 9.115 10.634 -2.880 1.00 0.00 C ATOM 1474 C THR A 91 7.654 10.472 -3.286 1.00 0.00 C ATOM 1475 O THR A 91 6.762 11.060 -2.676 1.00 0.00 O ATOM 1476 CB THR A 91 9.856 11.421 -3.977 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.217 11.640 -3.587 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.177 12.757 -4.238 1.00 0.00 C ATOM 0 H THR A 91 10.725 9.293 -2.901 1.00 0.00 H new ATOM 0 HA THR A 91 9.170 11.190 -1.944 1.00 0.00 H new ATOM 0 HB THR A 91 9.831 10.834 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.682 12.139 -4.290 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.719 13.294 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.150 12.586 -4.562 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.175 13.349 -3.323 1.00 0.00 H new ATOM 1486 N GLU A 92 7.418 9.669 -4.319 1.00 0.00 N ATOM 1487 CA GLU A 92 6.064 9.431 -4.806 1.00 0.00 C ATOM 1488 C GLU A 92 5.151 8.974 -3.672 1.00 0.00 C ATOM 1489 O GLU A 92 4.103 9.570 -3.427 1.00 0.00 O ATOM 1490 CB GLU A 92 6.076 8.382 -5.920 1.00 0.00 C ATOM 1491 CG GLU A 92 4.691 7.904 -6.321 1.00 0.00 C ATOM 1492 CD GLU A 92 4.095 8.724 -7.448 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.864 9.401 -8.162 1.00 0.00 O ATOM 1494 OE2 GLU A 92 2.858 8.689 -7.617 1.00 0.00 O ATOM 0 H GLU A 92 8.145 9.173 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 92 5.678 10.369 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.575 8.799 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.667 7.526 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.746 6.859 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.030 7.949 -5.455 1.00 0.00 H new ATOM 1501 N MET A 93 5.557 7.911 -2.985 1.00 0.00 N ATOM 1502 CA MET A 93 4.776 7.374 -1.876 1.00 0.00 C ATOM 1503 C MET A 93 4.516 8.448 -0.824 1.00 0.00 C ATOM 1504 O MET A 93 3.608 8.318 -0.003 1.00 0.00 O ATOM 1505 CB MET A 93 5.502 6.186 -1.242 1.00 0.00 C ATOM 1506 CG MET A 93 4.785 5.614 -0.029 1.00 0.00 C ATOM 1507 SD MET A 93 5.802 4.441 0.889 1.00 0.00 S ATOM 1508 CE MET A 93 7.083 5.524 1.518 1.00 0.00 C ATOM 0 H MET A 93 6.422 7.405 -3.176 1.00 0.00 H new ATOM 0 HA MET A 93 3.817 7.036 -2.269 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.618 5.401 -1.989 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.504 6.498 -0.948 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.491 6.429 0.632 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.869 5.120 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.038 5.260 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.838 6.558 1.273 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.153 5.414 2.600 1.00 0.00 H new ATOM 1518 N ASP A 94 5.319 9.506 -0.854 1.00 0.00 N ATOM 1519 CA ASP A 94 5.175 10.602 0.097 1.00 0.00 C ATOM 1520 C ASP A 94 3.944 11.444 -0.226 1.00 0.00 C ATOM 1521 O ASP A 94 3.169 11.793 0.663 1.00 0.00 O ATOM 1522 CB ASP A 94 6.427 11.481 0.087 1.00 0.00 C ATOM 1523 CG ASP A 94 6.688 12.130 1.433 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.255 11.564 2.459 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.327 13.202 1.459 1.00 0.00 O ATOM 0 H ASP A 94 6.076 9.628 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 94 5.049 10.174 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.289 10.877 -0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.318 12.256 -0.672 1.00 0.00 H new ATOM 1530 N TRP A 95 3.774 11.766 -1.503 1.00 0.00 N ATOM 1531 CA TRP A 95 2.638 12.568 -1.943 1.00 0.00 C ATOM 1532 C TRP A 95 1.351 11.751 -1.914 1.00 0.00 C ATOM 1533 O TRP A 95 0.337 12.192 -1.372 1.00 0.00 O ATOM 1534 CB TRP A 95 2.883 13.106 -3.354 1.00 0.00 C ATOM 1535 CG TRP A 95 2.298 12.241 -4.429 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.983 11.514 -5.361 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.907 12.015 -4.685 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.102 10.850 -6.180 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.823 11.140 -5.786 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.275 12.465 -4.091 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.396 10.709 -6.302 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.484 12.036 -4.604 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.537 11.165 -5.700 1.00 0.00 C ATOM 0 H TRP A 95 4.407 11.485 -2.251 1.00 0.00 H new ATOM 0 HA TRP A 95 2.530 13.407 -1.255 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.459 14.107 -3.432 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.956 13.201 -3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.059 11.468 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.359 10.240 -6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.244 13.136 -3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.440 10.038 -7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.404 12.378 -4.153 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.498 10.847 -6.077 1.00 0.00 H new ATOM 1554 N VAL A 96 1.398 10.559 -2.499 1.00 0.00 N ATOM 1555 CA VAL A 96 0.235 9.680 -2.539 1.00 0.00 C ATOM 1556 C VAL A 96 -0.326 9.448 -1.140 1.00 0.00 C ATOM 1557 O VAL A 96 -1.531 9.261 -0.965 1.00 0.00 O ATOM 1558 CB VAL A 96 0.581 8.320 -3.174 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.234 8.516 -4.533 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.483 7.515 -2.250 1.00 0.00 C ATOM 0 H VAL A 96 2.229 10.179 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.517 10.177 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.343 7.761 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.471 7.544 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.549 9.050 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.150 9.095 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.718 6.557 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.406 8.067 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.973 7.344 -1.302 1.00 0.00 H new ATOM 1570 N LEU A 97 0.555 9.460 -0.146 1.00 0.00 N ATOM 1571 CA LEU A 97 0.149 9.252 1.239 1.00 0.00 C ATOM 1572 C LEU A 97 -0.499 10.508 1.812 1.00 0.00 C ATOM 1573 O LEU A 97 -1.674 10.503 2.178 1.00 0.00 O ATOM 1574 CB LEU A 97 1.355 8.852 2.091 1.00 0.00 C ATOM 1575 CG LEU A 97 1.841 7.411 1.932 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.196 7.228 2.599 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.825 6.439 2.512 1.00 0.00 C ATOM 0 H LEU A 97 1.556 9.612 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.585 8.446 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.181 9.521 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.105 9.016 3.139 1.00 0.00 H new ATOM 0 HG LEU A 97 1.951 7.200 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.526 6.196 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.922 7.899 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.113 7.458 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.187 5.418 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.684 6.650 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.125 6.551 1.990 1.00 0.00 H new ATOM 1589 N LYS A 98 0.276 11.586 1.886 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.222 12.852 2.410 1.00 0.00 C ATOM 1591 C LYS A 98 -1.638 13.127 1.914 1.00 0.00 C ATOM 1592 O LYS A 98 -2.458 13.699 2.633 1.00 0.00 O ATOM 1593 CB LYS A 98 0.706 13.997 2.000 1.00 0.00 C ATOM 1594 CG LYS A 98 2.123 13.851 2.527 1.00 0.00 C ATOM 1595 CD LYS A 98 3.102 14.706 1.739 1.00 0.00 C ATOM 1596 CE LYS A 98 3.194 16.114 2.306 1.00 0.00 C ATOM 1597 NZ LYS A 98 4.483 16.771 1.954 1.00 0.00 N ATOM 0 H LYS A 98 1.252 11.607 1.589 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.245 12.783 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.736 14.057 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.289 14.938 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.153 14.138 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.426 12.805 2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.088 14.241 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.789 14.752 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.366 16.713 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.090 16.076 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.507 17.729 2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.273 16.213 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.571 16.830 0.919 1.00 0.00 H new ATOM 1611 N HIS A 99 -1.919 12.716 0.682 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.237 12.917 0.090 1.00 0.00 C ATOM 1613 C HIS A 99 -3.959 11.586 -0.093 1.00 0.00 C ATOM 1614 O HIS A 99 -4.548 11.327 -1.142 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.112 13.632 -1.255 1.00 0.00 C ATOM 1616 CG HIS A 99 -2.066 14.704 -1.269 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.717 15.429 -0.149 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.291 15.172 -2.275 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.773 16.298 -0.466 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.497 16.162 -1.751 1.00 0.00 N ATOM 0 H HIS A 99 -1.252 12.242 0.074 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.822 13.537 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.879 12.898 -2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.075 14.072 -1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.296 14.830 -3.299 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.307 17.000 0.210 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.194 16.704 -2.270 1.00 0.00 H new ATOM 1629 N SER A 100 -3.908 10.744 0.935 1.00 0.00 N ATOM 1630 CA SER A 100 -4.553 9.438 0.886 1.00 0.00 C ATOM 1631 C SER A 100 -5.716 9.368 1.871 1.00 0.00 C ATOM 1632 O SER A 100 -6.827 8.981 1.512 1.00 0.00 O ATOM 1633 CB SER A 100 -3.541 8.333 1.195 1.00 0.00 C ATOM 1634 OG SER A 100 -3.496 8.057 2.585 1.00 0.00 O ATOM 0 H SER A 100 -3.426 10.944 1.812 1.00 0.00 H new ATOM 0 HA SER A 100 -4.944 9.292 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.808 7.428 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.552 8.634 0.848 1.00 0.00 H new ATOM 0 HG SER A 100 -2.897 8.695 3.026 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.450 9.747 3.118 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.483 9.721 4.137 1.00 0.00 C ATOM 1642 C GLY A 101 -7.552 10.771 3.907 1.00 0.00 C ATOM 1643 O GLY A 101 -7.318 11.796 3.266 1.00 0.00 O ATOM 0 H GLY A 101 -4.538 10.071 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.946 8.734 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.028 9.878 5.115 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.758 10.518 4.436 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.892 11.437 4.296 1.00 0.00 C ATOM 1649 C PRO A 102 -9.700 12.720 5.098 1.00 0.00 C ATOM 1650 O PRO A 102 -10.581 13.578 5.134 1.00 0.00 O ATOM 1651 CB PRO A 102 -11.071 10.633 4.849 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.455 9.655 5.789 1.00 0.00 C ATOM 1653 CD PRO A 102 -9.109 9.317 5.211 1.00 0.00 C ATOM 0 HA PRO A 102 -10.027 11.763 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.785 11.278 5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.614 10.127 4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.355 10.082 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.074 8.763 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.376 9.115 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.155 8.430 4.579 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.543 12.845 5.739 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.235 14.024 6.540 1.00 0.00 C ATOM 1663 C ASN A 103 -6.912 14.647 6.106 1.00 0.00 C ATOM 1664 O ASN A 103 -5.948 13.940 5.815 1.00 0.00 O ATOM 1665 CB ASN A 103 -8.177 13.656 8.024 1.00 0.00 C ATOM 1666 CG ASN A 103 -7.020 12.729 8.345 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -7.148 11.507 8.265 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -5.882 13.308 8.710 1.00 0.00 N ATOM 0 H ASN A 103 -7.803 12.144 5.719 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.028 14.756 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.086 14.566 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.113 13.178 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.069 12.736 8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.821 14.325 8.763 1.00 0.00 H new ATOM 1675 N SER A 104 -6.875 15.975 6.067 1.00 0.00 N ATOM 1676 CA SER A 104 -5.671 16.694 5.666 1.00 0.00 C ATOM 1677 C SER A 104 -5.288 17.737 6.712 1.00 0.00 C ATOM 1678 O SER A 104 -6.134 18.487 7.196 1.00 0.00 O ATOM 1679 CB SER A 104 -5.883 17.369 4.310 1.00 0.00 C ATOM 1680 OG SER A 104 -6.742 18.490 4.427 1.00 0.00 O ATOM 0 H SER A 104 -7.664 16.575 6.308 1.00 0.00 H new ATOM 0 HA SER A 104 -4.858 15.973 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.922 17.684 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.308 16.653 3.606 1.00 0.00 H new ATOM 0 HG SER A 104 -6.860 18.905 3.547 1.00 0.00 H new ATOM 1686 N ALA A 105 -4.004 17.778 7.054 1.00 0.00 N ATOM 1687 CA ALA A 105 -3.507 18.729 8.040 1.00 0.00 C ATOM 1688 C ALA A 105 -1.986 18.834 7.983 1.00 0.00 C ATOM 1689 O ALA A 105 -1.285 17.823 7.964 1.00 0.00 O ATOM 1690 CB ALA A 105 -3.958 18.326 9.437 1.00 0.00 C ATOM 0 H ALA A 105 -3.290 17.164 6.663 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.922 19.709 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.579 19.045 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.047 18.309 9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.571 17.335 9.673 1.00 0.00 H new ATOM 1696 N SER A 106 -1.483 20.064 7.956 1.00 0.00 N ATOM 1697 CA SER A 106 -0.046 20.301 7.896 1.00 0.00 C ATOM 1698 C SER A 106 0.305 21.665 8.485 1.00 0.00 C ATOM 1699 O SER A 106 -0.568 22.507 8.692 1.00 0.00 O ATOM 1700 CB SER A 106 0.447 20.215 6.451 1.00 0.00 C ATOM 1701 OG SER A 106 -0.074 21.277 5.670 1.00 0.00 O ATOM 0 H SER A 106 -2.050 20.912 7.975 1.00 0.00 H new ATOM 0 HA SER A 106 0.449 19.531 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.536 20.246 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.148 19.260 6.018 1.00 0.00 H new ATOM 0 HG SER A 106 0.257 21.200 4.751 1.00 0.00 H new ATOM 1707 N GLY A 107 1.590 21.874 8.752 1.00 0.00 N ATOM 1708 CA GLY A 107 2.035 23.136 9.314 1.00 0.00 C ATOM 1709 C GLY A 107 2.124 24.235 8.274 1.00 0.00 C ATOM 1710 O GLY A 107 1.680 24.080 7.136 1.00 0.00 O ATOM 0 H GLY A 107 2.331 21.192 8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.347 23.441 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.012 22.999 9.778 1.00 0.00 H new ATOM 1714 N PRO A 108 2.708 25.378 8.663 1.00 0.00 N ATOM 1715 CA PRO A 108 2.866 26.530 7.771 1.00 0.00 C ATOM 1716 C PRO A 108 3.884 26.272 6.665 1.00 0.00 C ATOM 1717 O PRO A 108 4.882 25.583 6.876 1.00 0.00 O ATOM 1718 CB PRO A 108 3.361 27.637 8.705 1.00 0.00 C ATOM 1719 CG PRO A 108 4.024 26.916 9.829 1.00 0.00 C ATOM 1720 CD PRO A 108 3.261 25.633 10.005 1.00 0.00 C ATOM 0 HA PRO A 108 1.939 26.774 7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.058 28.303 8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.535 28.253 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.072 26.719 9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.002 27.512 10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.910 24.821 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.473 25.733 10.752 1.00 0.00 H new ATOM 1728 N SER A 109 3.624 26.828 5.487 1.00 0.00 N ATOM 1729 CA SER A 109 4.516 26.655 4.346 1.00 0.00 C ATOM 1730 C SER A 109 5.026 28.003 3.846 1.00 0.00 C ATOM 1731 O SER A 109 4.274 28.975 3.770 1.00 0.00 O ATOM 1732 CB SER A 109 3.796 25.918 3.216 1.00 0.00 C ATOM 1733 OG SER A 109 3.605 24.551 3.539 1.00 0.00 O ATOM 0 H SER A 109 2.803 27.402 5.297 1.00 0.00 H new ATOM 0 HA SER A 109 5.370 26.061 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.831 26.389 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.376 26.000 2.297 1.00 0.00 H new ATOM 0 HG SER A 109 3.141 24.102 2.801 1.00 0.00 H new ATOM 1739 N SER A 110 6.310 28.054 3.505 1.00 0.00 N ATOM 1740 CA SER A 110 6.923 29.283 3.015 1.00 0.00 C ATOM 1741 C SER A 110 6.313 29.700 1.680 1.00 0.00 C ATOM 1742 O SER A 110 5.711 30.767 1.566 1.00 0.00 O ATOM 1743 CB SER A 110 8.434 29.099 2.863 1.00 0.00 C ATOM 1744 OG SER A 110 9.089 29.197 4.115 1.00 0.00 O ATOM 0 H SER A 110 6.946 27.258 3.559 1.00 0.00 H new ATOM 0 HA SER A 110 6.732 30.071 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.642 28.127 2.416 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.829 29.854 2.183 1.00 0.00 H new ATOM 0 HG SER A 110 10.053 29.074 3.990 1.00 0.00 H new ATOM 1750 N GLY A 111 6.473 28.848 0.672 1.00 0.00 N ATOM 1751 CA GLY A 111 5.933 29.145 -0.642 1.00 0.00 C ATOM 1752 C GLY A 111 6.983 29.687 -1.592 1.00 0.00 C ATOM 1753 O GLY A 111 7.786 28.930 -2.137 1.00 0.00 O ATOM 0 H GLY A 111 6.967 27.958 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.497 28.240 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.126 29.872 -0.544 1.00 0.00 H new TER 1757 GLY A 111