USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 47 LYS NZ :NH3+ -161:sc= -0.328 (180deg=0) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -133:sc= -1.16 (180deg=-5.27!) USER MOD Set 2.1: A 51 THR OG1 : rot -64:sc= 0.253 USER MOD Set 2.2: A 97 MET CE :methyl -135:sc= -0.164 (180deg=-1.38) USER MOD Set 3.1: A 59 MET CE :methyl 146:sc= -4.19! (180deg=-4.74!) USER MOD Set 3.2: B 478 MET CE :methyl 172:sc= -2.69 (180deg=-2.64!) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -2.83! USER MOD Set 4.2: A 39 THR OG1 : rot -173:sc= -5.35! USER MOD Set 5.1: A 3 HIS : no HD1:sc= -0.194 K(o=-0.21,f=-5.5) USER MOD Set 5.2: A 4 SER OG : rot 63:sc= -0.0152 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.793 (180deg=-2) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 SER OG : rot 180:sc= 0.127 USER MOD Single : A 31 SER OG : rot -170:sc= -0.317 USER MOD Single : A 32 THR OG1 : rot 74:sc= -0.223 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 38 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.52) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.16 X(o=-2.2,f=-2.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -140:sc= -1.73 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 173:sc= 0 (180deg=-0.00428) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -128:sc= -4.99! (180deg=-11.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0.0112 X(o=0.011,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 99 ASN : amide:sc= -5.74! C(o=-5.7!,f=-5.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -168:sc= 0 (180deg=-0.131) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.079) USER MOD Single : A 106 GLN : amide:sc= -0.973 K(o=-0.97,f=-2.1!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -97:sc= -3.5! USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 480 THR OG1 : rot 49:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -8.984 13.155 11.357 1.00 0.00 N ATOM 2 CA PRO A 1 -8.121 13.504 10.199 1.00 0.00 C ATOM 3 C PRO A 1 -6.718 12.921 10.338 1.00 0.00 C ATOM 4 O PRO A 1 -6.064 12.599 9.346 1.00 0.00 O ATOM 5 CB PRO A 1 -8.058 15.028 10.118 1.00 0.00 C ATOM 6 CG PRO A 1 -8.939 15.499 11.230 1.00 0.00 C ATOM 7 CD PRO A 1 -9.051 14.353 12.208 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.596 12.365 11.873 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.915 12.879 11.045 1.00 0.00 H new ATOM 0 HA PRO A 1 -8.544 13.080 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.037 15.390 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.411 15.389 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -8.516 16.380 11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.921 15.783 10.852 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.242 14.370 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.986 14.394 12.767 1.00 0.00 H new ATOM 17 N SER A 2 -6.267 12.789 11.576 1.00 0.00 N ATOM 18 CA SER A 2 -4.944 12.246 11.859 1.00 0.00 C ATOM 19 C SER A 2 -4.882 10.759 11.523 1.00 0.00 C ATOM 20 O SER A 2 -3.828 10.239 11.155 1.00 0.00 O ATOM 21 CB SER A 2 -4.584 12.463 13.330 1.00 0.00 C ATOM 22 OG SER A 2 -3.187 12.634 13.494 1.00 0.00 O ATOM 0 H SER A 2 -6.799 13.051 12.405 1.00 0.00 H new ATOM 0 HA SER A 2 -4.222 12.772 11.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.108 13.340 13.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.921 11.610 13.920 1.00 0.00 H new ATOM 0 HG SER A 2 -2.984 12.773 14.443 1.00 0.00 H new ATOM 28 N HIS A 3 -6.017 10.080 11.654 1.00 0.00 N ATOM 29 CA HIS A 3 -6.092 8.650 11.366 1.00 0.00 C ATOM 30 C HIS A 3 -7.170 8.344 10.337 1.00 0.00 C ATOM 31 O HIS A 3 -7.651 7.218 10.232 1.00 0.00 O ATOM 32 CB HIS A 3 -6.327 7.846 12.644 1.00 0.00 C ATOM 33 CG HIS A 3 -7.593 8.200 13.365 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.532 9.079 12.864 1.00 0.00 N ATOM 35 CD2 HIS A 3 -8.073 7.784 14.561 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.532 9.187 13.721 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.278 8.412 14.758 1.00 0.00 N ATOM 0 H HIS A 3 -6.898 10.496 11.957 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.132 8.352 10.943 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.348 6.785 12.395 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.483 7.999 13.317 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.596 7.087 15.235 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.409 9.805 13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.879 8.298 15.574 1.00 0.00 H new ATOM 46 N SER A 4 -7.537 9.358 9.583 1.00 0.00 N ATOM 47 CA SER A 4 -8.553 9.218 8.548 1.00 0.00 C ATOM 48 C SER A 4 -8.290 10.193 7.415 1.00 0.00 C ATOM 49 O SER A 4 -7.733 11.270 7.626 1.00 0.00 O ATOM 50 CB SER A 4 -9.950 9.446 9.127 1.00 0.00 C ATOM 51 OG SER A 4 -9.985 9.142 10.511 1.00 0.00 O ATOM 0 H SER A 4 -7.147 10.297 9.664 1.00 0.00 H new ATOM 0 HA SER A 4 -8.504 8.202 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.246 10.483 8.972 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.672 8.825 8.597 1.00 0.00 H new ATOM 0 HG SER A 4 -9.387 9.750 10.995 1.00 0.00 H new ATOM 57 N GLY A 5 -8.682 9.806 6.210 1.00 0.00 N ATOM 58 CA GLY A 5 -8.464 10.658 5.067 1.00 0.00 C ATOM 59 C GLY A 5 -9.118 10.123 3.815 1.00 0.00 C ATOM 60 O GLY A 5 -9.655 9.018 3.814 1.00 0.00 O ATOM 0 H GLY A 5 -9.145 8.920 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.854 11.653 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.393 10.765 4.896 1.00 0.00 H new ATOM 64 N ALA A 6 -9.076 10.909 2.749 1.00 0.00 N ATOM 65 CA ALA A 6 -9.673 10.507 1.485 1.00 0.00 C ATOM 66 C ALA A 6 -8.606 10.188 0.445 1.00 0.00 C ATOM 67 O ALA A 6 -7.747 11.017 0.144 1.00 0.00 O ATOM 68 CB ALA A 6 -10.599 11.601 0.976 1.00 0.00 C ATOM 0 H ALA A 6 -8.635 11.828 2.735 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.252 9.600 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.042 11.292 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.389 11.777 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.031 12.519 0.828 1.00 0.00 H new ATOM 74 N ALA A 7 -8.676 8.982 -0.106 1.00 0.00 N ATOM 75 CA ALA A 7 -7.728 8.545 -1.120 1.00 0.00 C ATOM 76 C ALA A 7 -8.418 7.656 -2.145 1.00 0.00 C ATOM 77 O ALA A 7 -9.373 6.949 -1.824 1.00 0.00 O ATOM 78 CB ALA A 7 -6.563 7.809 -0.477 1.00 0.00 C ATOM 0 H ALA A 7 -9.383 8.288 0.135 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.340 9.426 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.864 7.489 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.054 8.473 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.935 6.936 0.059 1.00 0.00 H new ATOM 84 N ILE A 8 -7.931 7.691 -3.378 1.00 0.00 N ATOM 85 CA ILE A 8 -8.505 6.885 -4.440 1.00 0.00 C ATOM 86 C ILE A 8 -7.889 5.488 -4.446 1.00 0.00 C ATOM 87 O ILE A 8 -6.673 5.332 -4.555 1.00 0.00 O ATOM 88 CB ILE A 8 -8.318 7.558 -5.824 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.602 7.437 -6.651 1.00 0.00 C ATOM 90 CG2 ILE A 8 -7.139 6.956 -6.573 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.418 6.744 -7.987 1.00 0.00 C ATOM 0 H ILE A 8 -7.141 8.269 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.574 6.798 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.105 8.615 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.345 6.890 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.004 8.435 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.033 7.448 -7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.228 7.098 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.310 5.890 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.374 6.700 -8.509 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.701 7.301 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.047 5.732 -7.824 1.00 0.00 H new ATOM 103 N PHE A 9 -8.736 4.479 -4.326 1.00 0.00 N ATOM 104 CA PHE A 9 -8.279 3.094 -4.316 1.00 0.00 C ATOM 105 C PHE A 9 -8.841 2.329 -5.507 1.00 0.00 C ATOM 106 O PHE A 9 -9.999 2.508 -5.882 1.00 0.00 O ATOM 107 CB PHE A 9 -8.687 2.407 -3.011 1.00 0.00 C ATOM 108 CG PHE A 9 -7.636 1.484 -2.465 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.213 0.385 -3.194 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.071 1.716 -1.221 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.246 -0.466 -2.694 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.103 0.869 -0.715 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.690 -0.224 -1.453 1.00 0.00 C ATOM 0 H PHE A 9 -9.746 4.591 -4.234 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.191 3.096 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.914 3.168 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.604 1.842 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.644 0.191 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.391 2.569 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.925 -1.319 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.670 1.061 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.934 -0.888 -1.060 1.00 0.00 H new ATOM 123 N GLU A 10 -8.010 1.481 -6.102 1.00 0.00 N ATOM 124 CA GLU A 10 -8.422 0.693 -7.257 1.00 0.00 C ATOM 125 C GLU A 10 -8.894 1.601 -8.389 1.00 0.00 C ATOM 126 O GLU A 10 -9.688 1.191 -9.235 1.00 0.00 O ATOM 127 CB GLU A 10 -9.538 -0.278 -6.866 1.00 0.00 C ATOM 128 CG GLU A 10 -9.227 -1.091 -5.620 1.00 0.00 C ATOM 129 CD GLU A 10 -10.045 -2.365 -5.536 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.607 -3.389 -6.101 1.00 0.00 O ATOM 131 OE2 GLU A 10 -11.122 -2.339 -4.904 1.00 0.00 O ATOM 0 H GLU A 10 -7.048 1.322 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.561 0.122 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.457 0.285 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.724 -0.959 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.167 -1.343 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.418 -0.482 -4.736 1.00 0.00 H new ATOM 138 N LYS A 11 -8.400 2.837 -8.397 1.00 0.00 N ATOM 139 CA LYS A 11 -8.768 3.800 -9.420 1.00 0.00 C ATOM 140 C LYS A 11 -10.251 4.125 -9.341 1.00 0.00 C ATOM 141 O LYS A 11 -10.945 4.202 -10.354 1.00 0.00 O ATOM 142 CB LYS A 11 -8.394 3.268 -10.801 1.00 0.00 C ATOM 143 CG LYS A 11 -7.040 2.574 -10.825 1.00 0.00 C ATOM 144 CD LYS A 11 -5.913 3.524 -10.441 1.00 0.00 C ATOM 145 CE LYS A 11 -5.868 4.737 -11.357 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.608 5.894 -10.783 1.00 0.00 N ATOM 0 H LYS A 11 -7.742 3.191 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.216 4.724 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.160 2.568 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.385 4.094 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.053 1.728 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.854 2.173 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.047 3.851 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.960 2.997 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.830 5.021 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.296 4.477 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.154 6.780 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.592 5.878 -11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.596 5.833 -9.745 1.00 0.00 H new ATOM 160 N VAL A 12 -10.720 4.323 -8.115 1.00 0.00 N ATOM 161 CA VAL A 12 -12.110 4.652 -7.861 1.00 0.00 C ATOM 162 C VAL A 12 -12.218 5.563 -6.638 1.00 0.00 C ATOM 163 O VAL A 12 -12.029 5.120 -5.505 1.00 0.00 O ATOM 164 CB VAL A 12 -12.940 3.369 -7.648 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.223 3.653 -6.876 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.252 2.714 -8.984 1.00 0.00 C ATOM 0 H VAL A 12 -10.147 4.259 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.508 5.178 -8.729 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.343 2.681 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.782 2.726 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.975 4.069 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.831 4.368 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.838 1.810 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.821 3.406 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.321 2.455 -9.489 1.00 0.00 H new ATOM 176 N SER A 13 -12.504 6.842 -6.885 1.00 0.00 N ATOM 177 CA SER A 13 -12.621 7.842 -5.820 1.00 0.00 C ATOM 178 C SER A 13 -13.280 7.274 -4.567 1.00 0.00 C ATOM 179 O SER A 13 -14.380 6.725 -4.624 1.00 0.00 O ATOM 180 CB SER A 13 -13.413 9.048 -6.323 1.00 0.00 C ATOM 181 OG SER A 13 -13.081 9.352 -7.666 1.00 0.00 O ATOM 0 H SER A 13 -12.660 7.213 -7.822 1.00 0.00 H new ATOM 0 HA SER A 13 -11.611 8.150 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.481 8.843 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.208 9.911 -5.690 1.00 0.00 H new ATOM 0 HG SER A 13 -13.602 10.126 -7.965 1.00 0.00 H new ATOM 187 N GLY A 14 -12.595 7.414 -3.434 1.00 0.00 N ATOM 188 CA GLY A 14 -13.128 6.915 -2.180 1.00 0.00 C ATOM 189 C GLY A 14 -12.493 7.567 -0.966 1.00 0.00 C ATOM 190 O GLY A 14 -11.867 8.622 -1.073 1.00 0.00 O ATOM 0 H GLY A 14 -11.682 7.863 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.204 7.085 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.974 5.837 -2.129 1.00 0.00 H new ATOM 194 N ILE A 15 -12.664 6.937 0.192 1.00 0.00 N ATOM 195 CA ILE A 15 -12.114 7.454 1.440 1.00 0.00 C ATOM 196 C ILE A 15 -11.440 6.352 2.257 1.00 0.00 C ATOM 197 O ILE A 15 -11.826 5.186 2.181 1.00 0.00 O ATOM 198 CB ILE A 15 -13.199 8.132 2.299 1.00 0.00 C ATOM 199 CG1 ILE A 15 -13.832 9.298 1.538 1.00 0.00 C ATOM 200 CG2 ILE A 15 -12.600 8.617 3.606 1.00 0.00 C ATOM 201 CD1 ILE A 15 -14.776 8.865 0.439 1.00 0.00 C ATOM 0 H ILE A 15 -13.182 6.064 0.292 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.366 8.197 1.164 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.978 7.402 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -14.374 9.929 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.041 9.910 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.374 9.095 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.187 7.770 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.807 9.336 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.186 9.745 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.235 8.259 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.588 8.278 0.867 1.00 0.00 H new ATOM 213 N ILE A 16 -10.432 6.733 3.042 1.00 0.00 N ATOM 214 CA ILE A 16 -9.700 5.779 3.870 1.00 0.00 C ATOM 215 C ILE A 16 -9.956 6.012 5.358 1.00 0.00 C ATOM 216 O ILE A 16 -10.164 7.144 5.796 1.00 0.00 O ATOM 217 CB ILE A 16 -8.170 5.844 3.636 1.00 0.00 C ATOM 218 CG1 ILE A 16 -7.827 6.510 2.297 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.564 4.450 3.710 1.00 0.00 C ATOM 220 CD1 ILE A 16 -6.989 7.760 2.452 1.00 0.00 C ATOM 0 H ILE A 16 -10.105 7.696 3.121 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.069 4.797 3.574 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.740 6.459 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.292 5.797 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.751 6.762 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.489 4.511 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.755 4.022 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.014 3.817 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.781 8.183 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.532 8.489 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.050 7.510 2.945 1.00 0.00 H new ATOM 232 N ALA A 17 -9.917 4.930 6.129 1.00 0.00 N ATOM 233 CA ALA A 17 -10.121 4.997 7.572 1.00 0.00 C ATOM 234 C ALA A 17 -9.170 4.037 8.285 1.00 0.00 C ATOM 235 O ALA A 17 -9.065 2.870 7.912 1.00 0.00 O ATOM 236 CB ALA A 17 -11.567 4.675 7.920 1.00 0.00 C ATOM 0 H ALA A 17 -9.745 3.989 5.775 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.906 6.011 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.702 4.729 9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.227 5.394 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.809 3.670 7.574 1.00 0.00 H new ATOM 242 N ILE A 18 -8.470 4.532 9.302 1.00 0.00 N ATOM 243 CA ILE A 18 -7.524 3.709 10.044 1.00 0.00 C ATOM 244 C ILE A 18 -8.174 3.096 11.283 1.00 0.00 C ATOM 245 O ILE A 18 -8.868 3.778 12.037 1.00 0.00 O ATOM 246 CB ILE A 18 -6.273 4.530 10.451 1.00 0.00 C ATOM 247 CG1 ILE A 18 -5.042 4.047 9.685 1.00 0.00 C ATOM 248 CG2 ILE A 18 -6.027 4.464 11.952 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.812 4.794 8.390 1.00 0.00 C ATOM 0 H ILE A 18 -8.541 5.496 9.629 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.211 2.899 9.385 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.461 5.572 10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.162 4.155 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.151 2.984 9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.143 5.050 12.202 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.891 4.867 12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.871 3.427 12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.923 4.402 7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.676 4.665 7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.672 5.854 8.601 1.00 0.00 H new ATOM 261 N ASN A 19 -7.935 1.805 11.485 1.00 0.00 N ATOM 262 CA ASN A 19 -8.480 1.092 12.625 1.00 0.00 C ATOM 263 C ASN A 19 -7.389 0.804 13.654 1.00 0.00 C ATOM 264 O ASN A 19 -7.108 -0.352 13.971 1.00 0.00 O ATOM 265 CB ASN A 19 -9.136 -0.214 12.172 1.00 0.00 C ATOM 266 CG ASN A 19 -10.240 -0.661 13.110 1.00 0.00 C ATOM 267 OD1 ASN A 19 -10.218 -0.357 14.303 1.00 0.00 O ATOM 268 ND2 ASN A 19 -11.213 -1.389 12.574 1.00 0.00 N ATOM 0 H ASN A 19 -7.362 1.231 10.866 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.237 1.722 13.092 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.545 -0.084 11.170 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.378 -0.995 12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.982 -1.720 13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.191 -1.617 11.580 1.00 0.00 H new ATOM 275 N GLU A 20 -6.777 1.867 14.170 1.00 0.00 N ATOM 276 CA GLU A 20 -5.716 1.736 15.163 1.00 0.00 C ATOM 277 C GLU A 20 -6.276 1.320 16.522 1.00 0.00 C ATOM 278 O GLU A 20 -5.520 0.989 17.436 1.00 0.00 O ATOM 279 CB GLU A 20 -4.953 3.055 15.301 1.00 0.00 C ATOM 280 CG GLU A 20 -3.867 3.242 14.255 1.00 0.00 C ATOM 281 CD GLU A 20 -2.534 3.635 14.862 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.977 2.833 15.641 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.047 4.744 14.557 1.00 0.00 O ATOM 0 H GLU A 20 -6.999 2.830 13.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.034 0.958 14.820 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.659 3.882 15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.503 3.103 16.293 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.747 2.316 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.179 4.008 13.546 1.00 0.00 H new ATOM 290 N ASP A 21 -7.600 1.332 16.652 1.00 0.00 N ATOM 291 CA ASP A 21 -8.245 0.948 17.899 1.00 0.00 C ATOM 292 C ASP A 21 -8.211 -0.565 18.066 1.00 0.00 C ATOM 293 O ASP A 21 -8.254 -1.079 19.183 1.00 0.00 O ATOM 294 CB ASP A 21 -9.691 1.446 17.927 1.00 0.00 C ATOM 295 CG ASP A 21 -9.818 2.815 18.568 1.00 0.00 C ATOM 296 OD1 ASP A 21 -8.823 3.569 18.560 1.00 0.00 O ATOM 297 OD2 ASP A 21 -10.914 3.132 19.077 1.00 0.00 O ATOM 0 H ASP A 21 -8.244 1.603 15.909 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.701 1.406 18.725 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.078 1.487 16.909 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.308 0.733 18.474 1.00 0.00 H new ATOM 302 N VAL A 22 -8.129 -1.272 16.943 1.00 0.00 N ATOM 303 CA VAL A 22 -8.083 -2.724 16.962 1.00 0.00 C ATOM 304 C VAL A 22 -6.660 -3.218 17.211 1.00 0.00 C ATOM 305 O VAL A 22 -5.692 -2.590 16.782 1.00 0.00 O ATOM 306 CB VAL A 22 -8.620 -3.320 15.642 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.647 -3.072 14.495 1.00 0.00 C ATOM 308 CG2 VAL A 22 -8.908 -4.807 15.802 1.00 0.00 C ATOM 0 H VAL A 22 -8.093 -0.860 16.011 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.723 -3.060 17.778 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.556 -2.817 15.399 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.049 -3.502 13.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.507 -1.999 14.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.688 -3.538 14.724 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.285 -5.208 14.861 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.991 -5.328 16.076 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.654 -4.951 16.583 1.00 0.00 H new ATOM 318 N SER A 23 -6.539 -4.339 17.913 1.00 0.00 N ATOM 319 CA SER A 23 -5.232 -4.913 18.229 1.00 0.00 C ATOM 320 C SER A 23 -4.335 -4.989 16.991 1.00 0.00 C ATOM 321 O SER A 23 -3.272 -4.369 16.949 1.00 0.00 O ATOM 322 CB SER A 23 -5.397 -6.307 18.842 1.00 0.00 C ATOM 323 OG SER A 23 -6.763 -6.609 19.071 1.00 0.00 O ATOM 0 H SER A 23 -7.330 -4.871 18.276 1.00 0.00 H new ATOM 0 HA SER A 23 -4.750 -4.256 18.953 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.964 -7.053 18.176 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.848 -6.361 19.782 1.00 0.00 H new ATOM 0 HG SER A 23 -6.839 -7.505 19.461 1.00 0.00 H new ATOM 329 N PRO A 24 -4.745 -5.759 15.968 1.00 0.00 N ATOM 330 CA PRO A 24 -3.965 -5.919 14.734 1.00 0.00 C ATOM 331 C PRO A 24 -3.708 -4.596 14.011 1.00 0.00 C ATOM 332 O PRO A 24 -2.822 -4.512 13.163 1.00 0.00 O ATOM 333 CB PRO A 24 -4.834 -6.839 13.865 1.00 0.00 C ATOM 334 CG PRO A 24 -6.197 -6.769 14.462 1.00 0.00 C ATOM 335 CD PRO A 24 -5.990 -6.543 15.931 1.00 0.00 C ATOM 0 HA PRO A 24 -2.973 -6.319 14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.842 -6.508 12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.454 -7.860 13.871 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.776 -5.958 14.020 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.750 -7.691 14.283 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.823 -6.001 16.378 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.893 -7.483 16.475 1.00 0.00 H new ATOM 343 N ALA A 25 -4.489 -3.569 14.345 1.00 0.00 N ATOM 344 CA ALA A 25 -4.347 -2.252 13.719 1.00 0.00 C ATOM 345 C ALA A 25 -4.287 -2.367 12.197 1.00 0.00 C ATOM 346 O ALA A 25 -3.286 -2.807 11.634 1.00 0.00 O ATOM 347 CB ALA A 25 -3.114 -1.538 14.247 1.00 0.00 C ATOM 0 H ALA A 25 -5.228 -3.623 15.046 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.227 -1.663 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.026 -0.562 13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.203 -1.408 15.326 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.227 -2.131 14.025 1.00 0.00 H new ATOM 353 N GLU A 26 -5.370 -1.976 11.539 1.00 0.00 N ATOM 354 CA GLU A 26 -5.447 -2.050 10.090 1.00 0.00 C ATOM 355 C GLU A 26 -6.040 -0.778 9.493 1.00 0.00 C ATOM 356 O GLU A 26 -6.619 0.043 10.202 1.00 0.00 O ATOM 357 CB GLU A 26 -6.281 -3.260 9.670 1.00 0.00 C ATOM 358 CG GLU A 26 -7.735 -3.179 10.107 1.00 0.00 C ATOM 359 CD GLU A 26 -8.539 -4.393 9.686 1.00 0.00 C ATOM 360 OE1 GLU A 26 -8.170 -5.029 8.676 1.00 0.00 O ATOM 361 OE2 GLU A 26 -9.538 -4.709 10.367 1.00 0.00 O ATOM 0 H GLU A 26 -6.207 -1.604 11.988 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.432 -2.157 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.241 -3.359 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.834 -4.162 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.779 -3.077 11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.188 -2.283 9.683 1.00 0.00 H new ATOM 368 N LEU A 27 -5.899 -0.632 8.179 1.00 0.00 N ATOM 369 CA LEU A 27 -6.423 0.520 7.471 1.00 0.00 C ATOM 370 C LEU A 27 -7.543 0.074 6.537 1.00 0.00 C ATOM 371 O LEU A 27 -7.336 -0.767 5.662 1.00 0.00 O ATOM 372 CB LEU A 27 -5.311 1.203 6.669 1.00 0.00 C ATOM 373 CG LEU A 27 -5.775 2.326 5.738 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.652 3.327 5.504 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.266 1.752 4.417 1.00 0.00 C ATOM 0 H LEU A 27 -5.421 -1.307 7.583 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.817 1.235 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.579 1.610 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.798 0.448 6.074 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.604 2.849 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.002 4.117 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.348 3.761 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.802 2.820 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.592 2.564 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.456 1.204 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.102 1.077 4.602 1.00 0.00 H new ATOM 387 N THR A 28 -8.733 0.627 6.739 1.00 0.00 N ATOM 388 CA THR A 28 -9.890 0.267 5.928 1.00 0.00 C ATOM 389 C THR A 28 -10.310 1.413 5.017 1.00 0.00 C ATOM 390 O THR A 28 -10.488 2.544 5.466 1.00 0.00 O ATOM 391 CB THR A 28 -11.059 -0.133 6.830 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.713 -1.241 7.640 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.314 -0.498 6.064 1.00 0.00 C ATOM 0 H THR A 28 -8.922 1.326 7.457 1.00 0.00 H new ATOM 0 HA THR A 28 -9.608 -0.578 5.301 1.00 0.00 H new ATOM 0 HB THR A 28 -11.268 0.749 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.474 -1.480 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.102 -0.771 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.638 0.356 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.106 -1.341 5.406 1.00 0.00 H new ATOM 401 N TRP A 29 -10.478 1.106 3.738 1.00 0.00 N ATOM 402 CA TRP A 29 -10.891 2.105 2.759 1.00 0.00 C ATOM 403 C TRP A 29 -12.148 1.658 2.024 1.00 0.00 C ATOM 404 O TRP A 29 -12.302 0.484 1.694 1.00 0.00 O ATOM 405 CB TRP A 29 -9.779 2.378 1.741 1.00 0.00 C ATOM 406 CG TRP A 29 -10.253 3.190 0.571 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.044 4.521 0.357 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.035 2.723 -0.537 1.00 0.00 C ATOM 409 NE1 TRP A 29 -10.658 4.915 -0.807 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.263 3.826 -1.381 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.563 1.479 -0.898 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -11.995 3.720 -2.562 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.290 1.378 -2.069 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.499 2.492 -2.889 1.00 0.00 C ATOM 0 H TRP A 29 -10.335 0.172 3.353 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.102 3.024 3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.961 2.902 2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.379 1.430 1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.478 5.171 1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.663 5.863 -1.183 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.405 0.613 -0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.158 4.578 -3.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.704 0.423 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.070 2.380 -3.799 1.00 0.00 H new ATOM 425 N ARG A 30 -13.034 2.606 1.751 1.00 0.00 N ATOM 426 CA ARG A 30 -14.265 2.309 1.027 1.00 0.00 C ATOM 427 C ARG A 30 -14.558 3.383 -0.002 1.00 0.00 C ATOM 428 O ARG A 30 -14.200 4.547 0.177 1.00 0.00 O ATOM 429 CB ARG A 30 -15.459 2.195 1.972 1.00 0.00 C ATOM 430 CG ARG A 30 -15.670 0.796 2.517 1.00 0.00 C ATOM 431 CD ARG A 30 -15.868 0.804 4.024 1.00 0.00 C ATOM 432 NE ARG A 30 -16.548 -0.401 4.493 1.00 0.00 N ATOM 433 CZ ARG A 30 -17.143 -0.503 5.679 1.00 0.00 C ATOM 434 NH1 ARG A 30 -17.144 0.525 6.519 1.00 0.00 N ATOM 435 NH2 ARG A 30 -17.739 -1.636 6.027 1.00 0.00 N ATOM 0 H ARG A 30 -12.925 3.584 2.018 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.115 1.352 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.319 2.883 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.360 2.511 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.540 0.346 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.811 0.174 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.899 0.889 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.448 1.682 4.309 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.568 -1.212 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.687 1.398 6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.602 0.441 7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.741 -2.429 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.195 -1.714 6.936 1.00 0.00 H new ATOM 449 N SER A 31 -15.234 2.990 -1.073 1.00 0.00 N ATOM 450 CA SER A 31 -15.597 3.936 -2.123 1.00 0.00 C ATOM 451 C SER A 31 -16.307 5.143 -1.511 1.00 0.00 C ATOM 452 O SER A 31 -16.787 5.077 -0.380 1.00 0.00 O ATOM 453 CB SER A 31 -16.500 3.264 -3.160 1.00 0.00 C ATOM 454 OG SER A 31 -15.738 2.725 -4.226 1.00 0.00 O ATOM 0 H SER A 31 -15.541 2.031 -1.239 1.00 0.00 H new ATOM 0 HA SER A 31 -14.688 4.272 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.078 2.471 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.214 3.989 -3.550 1.00 0.00 H new ATOM 0 HG SER A 31 -16.338 2.443 -4.947 1.00 0.00 H new ATOM 460 N THR A 32 -16.377 6.241 -2.254 1.00 0.00 N ATOM 461 CA THR A 32 -17.035 7.443 -1.758 1.00 0.00 C ATOM 462 C THR A 32 -18.504 7.172 -1.497 1.00 0.00 C ATOM 463 O THR A 32 -19.115 7.763 -0.607 1.00 0.00 O ATOM 464 CB THR A 32 -16.885 8.592 -2.744 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.696 8.460 -3.501 1.00 0.00 O ATOM 466 CG2 THR A 32 -16.863 9.950 -2.079 1.00 0.00 C ATOM 0 H THR A 32 -15.990 6.324 -3.194 1.00 0.00 H new ATOM 0 HA THR A 32 -16.555 7.728 -0.822 1.00 0.00 H new ATOM 0 HB THR A 32 -17.763 8.534 -3.387 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.805 7.742 -4.159 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.754 10.725 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.795 10.104 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.024 10.002 -1.385 1.00 0.00 H new ATOM 474 N ASP A 33 -19.056 6.261 -2.279 1.00 0.00 N ATOM 475 CA ASP A 33 -20.449 5.877 -2.152 1.00 0.00 C ATOM 476 C ASP A 33 -20.798 4.850 -3.217 1.00 0.00 C ATOM 477 O ASP A 33 -21.824 4.957 -3.890 1.00 0.00 O ATOM 478 CB ASP A 33 -21.363 7.100 -2.276 1.00 0.00 C ATOM 479 CG ASP A 33 -22.530 7.049 -1.310 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.337 6.101 -1.403 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.638 7.958 -0.460 1.00 0.00 O ATOM 0 H ASP A 33 -18.553 5.769 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.601 5.437 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.782 8.004 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.742 7.165 -3.296 1.00 0.00 H new ATOM 486 N GLY A 34 -19.927 3.858 -3.374 1.00 0.00 N ATOM 487 CA GLY A 34 -20.156 2.831 -4.375 1.00 0.00 C ATOM 488 C GLY A 34 -20.293 1.447 -3.780 1.00 0.00 C ATOM 489 O GLY A 34 -19.972 0.452 -4.430 1.00 0.00 O ATOM 0 H GLY A 34 -19.072 3.747 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.060 3.071 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.331 2.835 -5.087 1.00 0.00 H new ATOM 493 N ASP A 35 -20.768 1.379 -2.539 1.00 0.00 N ATOM 494 CA ASP A 35 -20.943 0.103 -1.852 1.00 0.00 C ATOM 495 C ASP A 35 -19.726 -0.791 -2.049 1.00 0.00 C ATOM 496 O ASP A 35 -19.836 -2.016 -2.099 1.00 0.00 O ATOM 497 CB ASP A 35 -22.203 -0.606 -2.351 1.00 0.00 C ATOM 498 CG ASP A 35 -22.938 -1.331 -1.240 1.00 0.00 C ATOM 499 OD1 ASP A 35 -22.832 -0.894 -0.075 1.00 0.00 O ATOM 500 OD2 ASP A 35 -23.617 -2.336 -1.536 1.00 0.00 O ATOM 0 H ASP A 35 -21.039 2.194 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.053 0.306 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.871 0.124 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.931 -1.320 -3.129 1.00 0.00 H new ATOM 505 N LYS A 36 -18.566 -0.159 -2.156 1.00 0.00 N ATOM 506 CA LYS A 36 -17.317 -0.868 -2.343 1.00 0.00 C ATOM 507 C LYS A 36 -16.413 -0.667 -1.136 1.00 0.00 C ATOM 508 O LYS A 36 -16.460 0.377 -0.486 1.00 0.00 O ATOM 509 CB LYS A 36 -16.613 -0.388 -3.613 1.00 0.00 C ATOM 510 CG LYS A 36 -17.016 -1.159 -4.860 1.00 0.00 C ATOM 511 CD LYS A 36 -15.802 -1.594 -5.665 1.00 0.00 C ATOM 512 CE LYS A 36 -16.062 -1.498 -7.160 1.00 0.00 C ATOM 513 NZ LYS A 36 -17.173 -2.392 -7.589 1.00 0.00 N ATOM 0 H LYS A 36 -18.468 0.856 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.535 -1.931 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.832 0.669 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.535 -0.473 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.597 -2.036 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.661 -0.537 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.947 -0.971 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.540 -2.620 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.304 -0.468 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.154 -1.760 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.263 -2.361 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.970 -3.367 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.063 -2.073 -7.155 1.00 0.00 H new ATOM 527 N VAL A 37 -15.598 -1.667 -0.831 1.00 0.00 N ATOM 528 CA VAL A 37 -14.705 -1.580 0.303 1.00 0.00 C ATOM 529 C VAL A 37 -13.373 -2.264 0.034 1.00 0.00 C ATOM 530 O VAL A 37 -13.249 -3.110 -0.852 1.00 0.00 O ATOM 531 CB VAL A 37 -15.348 -2.186 1.566 1.00 0.00 C ATOM 532 CG1 VAL A 37 -15.966 -3.541 1.261 1.00 0.00 C ATOM 533 CG2 VAL A 37 -14.352 -2.293 2.712 1.00 0.00 C ATOM 0 H VAL A 37 -15.541 -2.541 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.518 -0.519 0.469 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.140 -1.509 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -16.414 -3.949 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -16.734 -3.427 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.194 -4.220 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.845 -2.725 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.520 -2.930 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.977 -1.301 2.962 1.00 0.00 H new ATOM 543 N HIS A 38 -12.391 -1.884 0.830 1.00 0.00 N ATOM 544 CA HIS A 38 -11.046 -2.436 0.736 1.00 0.00 C ATOM 545 C HIS A 38 -10.299 -2.210 2.045 1.00 0.00 C ATOM 546 O HIS A 38 -10.046 -1.072 2.436 1.00 0.00 O ATOM 547 CB HIS A 38 -10.283 -1.792 -0.423 1.00 0.00 C ATOM 548 CG HIS A 38 -9.216 -2.670 -0.999 1.00 0.00 C ATOM 549 ND1 HIS A 38 -8.462 -3.537 -0.236 1.00 0.00 N ATOM 550 CD2 HIS A 38 -8.778 -2.815 -2.272 1.00 0.00 C ATOM 551 CE1 HIS A 38 -7.606 -4.175 -1.014 1.00 0.00 C ATOM 552 NE2 HIS A 38 -7.778 -3.755 -2.254 1.00 0.00 N ATOM 0 H HIS A 38 -12.500 -1.183 1.562 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.120 -3.507 0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.989 -1.529 -1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.830 -0.863 -0.077 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.147 -2.289 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.888 -4.914 -0.691 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.253 -4.077 -3.067 1.00 0.00 H new ATOM 561 N THR A 39 -9.957 -3.299 2.725 1.00 0.00 N ATOM 562 CA THR A 39 -9.254 -3.216 3.992 1.00 0.00 C ATOM 563 C THR A 39 -8.020 -4.111 3.998 1.00 0.00 C ATOM 564 O THR A 39 -8.057 -5.237 3.501 1.00 0.00 O ATOM 565 CB THR A 39 -10.183 -3.613 5.139 1.00 0.00 C ATOM 566 OG1 THR A 39 -11.378 -2.854 5.103 1.00 0.00 O ATOM 567 CG2 THR A 39 -9.560 -3.428 6.505 1.00 0.00 C ATOM 0 H THR A 39 -10.158 -4.250 2.416 1.00 0.00 H new ATOM 0 HA THR A 39 -8.931 -2.184 4.127 1.00 0.00 H new ATOM 0 HB THR A 39 -10.386 -4.674 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.910 -3.043 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.272 -3.728 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.663 -4.042 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.295 -2.380 6.645 1.00 0.00 H new ATOM 575 N VAL A 40 -6.930 -3.610 4.571 1.00 0.00 N ATOM 576 CA VAL A 40 -5.692 -4.376 4.647 1.00 0.00 C ATOM 577 C VAL A 40 -5.097 -4.311 6.052 1.00 0.00 C ATOM 578 O VAL A 40 -5.131 -3.268 6.704 1.00 0.00 O ATOM 579 CB VAL A 40 -4.648 -3.882 3.620 1.00 0.00 C ATOM 580 CG1 VAL A 40 -5.309 -3.583 2.283 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.906 -2.659 4.139 1.00 0.00 C ATOM 0 H VAL A 40 -6.879 -2.680 4.988 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.943 -5.410 4.410 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.919 -4.679 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.557 -3.237 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.779 -4.488 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.065 -2.809 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.178 -2.333 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.617 -1.855 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.391 -2.912 5.066 1.00 0.00 H new ATOM 591 N VAL A 41 -4.554 -5.432 6.509 1.00 0.00 N ATOM 592 CA VAL A 41 -3.953 -5.509 7.833 1.00 0.00 C ATOM 593 C VAL A 41 -2.432 -5.570 7.741 1.00 0.00 C ATOM 594 O VAL A 41 -1.883 -6.226 6.858 1.00 0.00 O ATOM 595 CB VAL A 41 -4.467 -6.740 8.605 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.957 -8.029 7.975 1.00 0.00 C ATOM 597 CG2 VAL A 41 -4.069 -6.658 10.070 1.00 0.00 C ATOM 0 H VAL A 41 -4.518 -6.303 5.980 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.241 -4.606 8.371 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.555 -6.747 8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.334 -8.883 8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.305 -8.092 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.867 -8.036 7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.441 -7.536 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.983 -6.620 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.498 -5.759 10.514 1.00 0.00 H new ATOM 607 N LEU A 42 -1.754 -4.883 8.655 1.00 0.00 N ATOM 608 CA LEU A 42 -0.296 -4.862 8.668 1.00 0.00 C ATOM 609 C LEU A 42 0.276 -6.273 8.616 1.00 0.00 C ATOM 610 O LEU A 42 1.329 -6.506 8.022 1.00 0.00 O ATOM 611 CB LEU A 42 0.210 -4.137 9.912 1.00 0.00 C ATOM 612 CG LEU A 42 0.826 -2.765 9.638 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.389 -1.758 10.688 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.343 -2.862 9.585 1.00 0.00 C ATOM 0 H LEU A 42 -2.191 -4.334 9.396 1.00 0.00 H new ATOM 0 HA LEU A 42 0.041 -4.327 7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.619 -4.017 10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.953 -4.763 10.405 1.00 0.00 H new ATOM 0 HG LEU A 42 0.470 -2.419 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.840 -0.789 10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.697 -1.665 10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.710 -2.097 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.764 -1.876 9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.717 -3.233 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.636 -3.546 8.789 1.00 0.00 H new ATOM 626 N SER A 43 -0.428 -7.213 9.234 1.00 0.00 N ATOM 627 CA SER A 43 0.007 -8.606 9.252 1.00 0.00 C ATOM 628 C SER A 43 0.389 -9.075 7.847 1.00 0.00 C ATOM 629 O SER A 43 1.233 -9.956 7.684 1.00 0.00 O ATOM 630 CB SER A 43 -1.098 -9.501 9.818 1.00 0.00 C ATOM 631 OG SER A 43 -1.087 -9.489 11.235 1.00 0.00 O ATOM 0 H SER A 43 -1.302 -7.037 9.729 1.00 0.00 H new ATOM 0 HA SER A 43 0.886 -8.678 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.068 -9.160 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.964 -10.521 9.459 1.00 0.00 H new ATOM 0 HG SER A 43 -1.803 -10.067 11.573 1.00 0.00 H new ATOM 637 N THR A 44 -0.230 -8.468 6.836 1.00 0.00 N ATOM 638 CA THR A 44 0.050 -8.808 5.447 1.00 0.00 C ATOM 639 C THR A 44 0.978 -7.768 4.828 1.00 0.00 C ATOM 640 O THR A 44 1.690 -8.044 3.866 1.00 0.00 O ATOM 641 CB THR A 44 -1.256 -8.898 4.657 1.00 0.00 C ATOM 642 OG1 THR A 44 -1.081 -9.658 3.475 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.818 -7.550 4.260 1.00 0.00 C ATOM 0 H THR A 44 -0.930 -7.736 6.956 1.00 0.00 H new ATOM 0 HA THR A 44 0.546 -9.778 5.412 1.00 0.00 H new ATOM 0 HB THR A 44 -1.963 -9.379 5.333 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.929 -9.703 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.744 -7.692 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.019 -6.962 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.096 -7.024 3.635 1.00 0.00 H new ATOM 651 N ILE A 45 0.954 -6.570 5.402 1.00 0.00 N ATOM 652 CA ILE A 45 1.786 -5.463 4.940 1.00 0.00 C ATOM 653 C ILE A 45 2.625 -4.916 6.095 1.00 0.00 C ATOM 654 O ILE A 45 2.085 -4.352 7.047 1.00 0.00 O ATOM 655 CB ILE A 45 0.922 -4.328 4.331 1.00 0.00 C ATOM 656 CG1 ILE A 45 1.742 -3.032 4.164 1.00 0.00 C ATOM 657 CG2 ILE A 45 -0.324 -4.087 5.175 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.338 -1.903 5.093 1.00 0.00 C ATOM 0 H ILE A 45 0.360 -6.339 6.198 1.00 0.00 H new ATOM 0 HA ILE A 45 2.448 -5.842 4.162 1.00 0.00 H new ATOM 0 HB ILE A 45 0.601 -4.644 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.795 -3.261 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.647 -2.688 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.916 -3.287 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.919 -5.000 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.030 -3.802 6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.968 -1.034 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.295 -1.641 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.460 -2.222 6.128 1.00 0.00 H new ATOM 670 N ASP A 46 3.945 -5.095 6.021 1.00 0.00 N ATOM 671 CA ASP A 46 4.825 -4.621 7.087 1.00 0.00 C ATOM 672 C ASP A 46 5.727 -3.483 6.632 1.00 0.00 C ATOM 673 O ASP A 46 6.780 -3.238 7.219 1.00 0.00 O ATOM 674 CB ASP A 46 5.669 -5.773 7.636 1.00 0.00 C ATOM 675 CG ASP A 46 6.300 -5.441 8.974 1.00 0.00 C ATOM 676 OD1 ASP A 46 5.658 -4.727 9.772 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.436 -5.895 9.223 1.00 0.00 O ATOM 0 H ASP A 46 4.421 -5.557 5.247 1.00 0.00 H new ATOM 0 HA ASP A 46 4.184 -4.232 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.044 -6.659 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.452 -6.020 6.919 1.00 0.00 H new ATOM 682 N LYS A 47 5.293 -2.774 5.605 1.00 0.00 N ATOM 683 CA LYS A 47 6.045 -1.635 5.083 1.00 0.00 C ATOM 684 C LYS A 47 5.149 -0.737 4.238 1.00 0.00 C ATOM 685 O LYS A 47 4.262 -1.214 3.530 1.00 0.00 O ATOM 686 CB LYS A 47 7.265 -2.078 4.259 1.00 0.00 C ATOM 687 CG LYS A 47 7.661 -3.534 4.444 1.00 0.00 C ATOM 688 CD LYS A 47 8.816 -3.915 3.532 1.00 0.00 C ATOM 689 CE LYS A 47 10.160 -3.578 4.158 1.00 0.00 C ATOM 690 NZ LYS A 47 10.884 -4.799 4.610 1.00 0.00 N ATOM 0 H LYS A 47 4.421 -2.964 5.111 1.00 0.00 H new ATOM 0 HA LYS A 47 6.408 -1.073 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.056 -1.904 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.114 -1.448 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.943 -3.707 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.804 -4.175 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.772 -4.982 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.716 -3.393 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.773 -3.040 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.008 -2.911 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.615 -4.533 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.212 -5.457 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.331 -5.260 3.792 1.00 0.00 H new ATOM 704 N LEU A 48 5.388 0.566 4.323 1.00 0.00 N ATOM 705 CA LEU A 48 4.608 1.541 3.574 1.00 0.00 C ATOM 706 C LEU A 48 5.527 2.536 2.864 1.00 0.00 C ATOM 707 O LEU A 48 6.322 3.225 3.504 1.00 0.00 O ATOM 708 CB LEU A 48 3.664 2.291 4.516 1.00 0.00 C ATOM 709 CG LEU A 48 2.257 2.525 3.967 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.239 2.511 5.096 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.195 3.841 3.205 1.00 0.00 C ATOM 0 H LEU A 48 6.119 0.972 4.906 1.00 0.00 H new ATOM 0 HA LEU A 48 4.022 1.010 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.586 1.732 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.108 3.256 4.759 1.00 0.00 H new ATOM 0 HG LEU A 48 2.015 1.718 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.242 2.679 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.267 1.545 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.477 3.299 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.186 3.992 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.455 4.661 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.899 3.814 2.374 1.00 0.00 H new ATOM 723 N GLN A 49 5.412 2.611 1.542 1.00 0.00 N ATOM 724 CA GLN A 49 6.229 3.527 0.751 1.00 0.00 C ATOM 725 C GLN A 49 5.402 4.731 0.308 1.00 0.00 C ATOM 726 O GLN A 49 4.393 4.582 -0.380 1.00 0.00 O ATOM 727 CB GLN A 49 6.793 2.806 -0.475 1.00 0.00 C ATOM 728 CG GLN A 49 8.141 3.341 -0.929 1.00 0.00 C ATOM 729 CD GLN A 49 9.296 2.755 -0.141 1.00 0.00 C ATOM 730 OE1 GLN A 49 9.912 3.435 0.679 1.00 0.00 O ATOM 731 NE2 GLN A 49 9.596 1.485 -0.388 1.00 0.00 N ATOM 0 H GLN A 49 4.761 2.048 0.995 1.00 0.00 H new ATOM 0 HA GLN A 49 7.055 3.876 1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.890 1.744 -0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.082 2.893 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.278 3.119 -1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.150 4.426 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.058 0.959 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.364 1.036 0.111 1.00 0.00 H new ATOM 740 N ALA A 50 5.831 5.923 0.708 1.00 0.00 N ATOM 741 CA ALA A 50 5.123 7.149 0.353 1.00 0.00 C ATOM 742 C ALA A 50 6.034 8.107 -0.407 1.00 0.00 C ATOM 743 O ALA A 50 7.256 7.952 -0.403 1.00 0.00 O ATOM 744 CB ALA A 50 4.574 7.822 1.604 1.00 0.00 C ATOM 0 H ALA A 50 6.665 6.067 1.278 1.00 0.00 H new ATOM 0 HA ALA A 50 4.291 6.884 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.048 8.735 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.884 7.145 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.397 8.068 2.276 1.00 0.00 H new ATOM 750 N THR A 51 5.433 9.098 -1.057 1.00 0.00 N ATOM 751 CA THR A 51 6.191 10.082 -1.821 1.00 0.00 C ATOM 752 C THR A 51 6.773 11.153 -0.900 1.00 0.00 C ATOM 753 O THR A 51 6.382 11.263 0.262 1.00 0.00 O ATOM 754 CB THR A 51 5.303 10.731 -2.886 1.00 0.00 C ATOM 755 OG1 THR A 51 3.943 10.384 -2.689 1.00 0.00 O ATOM 756 CG2 THR A 51 5.677 10.334 -4.298 1.00 0.00 C ATOM 0 H THR A 51 4.423 9.241 -1.070 1.00 0.00 H new ATOM 0 HA THR A 51 7.015 9.566 -2.315 1.00 0.00 H new ATOM 0 HB THR A 51 5.456 11.804 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.830 9.419 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.009 10.828 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.705 10.634 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.586 9.253 -4.408 1.00 0.00 H new ATOM 764 N PRO A 52 7.719 11.959 -1.411 1.00 0.00 N ATOM 765 CA PRO A 52 8.354 13.024 -0.628 1.00 0.00 C ATOM 766 C PRO A 52 7.399 14.178 -0.338 1.00 0.00 C ATOM 767 O PRO A 52 6.365 14.319 -0.990 1.00 0.00 O ATOM 768 CB PRO A 52 9.500 13.491 -1.528 1.00 0.00 C ATOM 769 CG PRO A 52 9.059 13.154 -2.909 1.00 0.00 C ATOM 770 CD PRO A 52 8.243 11.897 -2.788 1.00 0.00 C ATOM 0 HA PRO A 52 8.680 12.672 0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.678 14.561 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.432 12.986 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.468 13.963 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.915 13.002 -3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.438 11.868 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.851 11.007 -2.946 1.00 0.00 H new ATOM 778 N ALA A 53 7.753 14.999 0.645 1.00 0.00 N ATOM 779 CA ALA A 53 6.928 16.140 1.022 1.00 0.00 C ATOM 780 C ALA A 53 6.777 17.117 -0.139 1.00 0.00 C ATOM 781 O ALA A 53 5.760 17.801 -0.259 1.00 0.00 O ATOM 782 CB ALA A 53 7.523 16.843 2.232 1.00 0.00 C ATOM 0 H ALA A 53 8.606 14.895 1.195 1.00 0.00 H new ATOM 0 HA ALA A 53 5.936 15.770 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.897 17.693 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.572 16.147 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.527 17.193 1.992 1.00 0.00 H new ATOM 788 N SER A 54 7.795 17.179 -0.992 1.00 0.00 N ATOM 789 CA SER A 54 7.774 18.074 -2.143 1.00 0.00 C ATOM 790 C SER A 54 6.910 17.507 -3.265 1.00 0.00 C ATOM 791 O SER A 54 6.394 18.249 -4.100 1.00 0.00 O ATOM 792 CB SER A 54 9.196 18.320 -2.652 1.00 0.00 C ATOM 793 OG SER A 54 9.195 19.194 -3.767 1.00 0.00 O ATOM 0 H SER A 54 8.644 16.620 -0.908 1.00 0.00 H new ATOM 0 HA SER A 54 7.341 19.021 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.803 18.746 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.655 17.371 -2.930 1.00 0.00 H new ATOM 0 HG SER A 54 10.115 19.336 -4.072 1.00 0.00 H new ATOM 799 N SER A 55 6.758 16.189 -3.276 1.00 0.00 N ATOM 800 CA SER A 55 5.958 15.520 -4.293 1.00 0.00 C ATOM 801 C SER A 55 4.489 15.916 -4.178 1.00 0.00 C ATOM 802 O SER A 55 3.793 15.492 -3.255 1.00 0.00 O ATOM 803 CB SER A 55 6.101 14.002 -4.169 1.00 0.00 C ATOM 804 OG SER A 55 7.103 13.510 -5.043 1.00 0.00 O ATOM 0 H SER A 55 7.179 15.561 -2.591 1.00 0.00 H new ATOM 0 HA SER A 55 6.324 15.833 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.351 13.740 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.148 13.524 -4.397 1.00 0.00 H new ATOM 0 HG SER A 55 6.805 12.665 -5.439 1.00 0.00 H new ATOM 810 N GLU A 56 4.025 16.732 -5.119 1.00 0.00 N ATOM 811 CA GLU A 56 2.639 17.185 -5.122 1.00 0.00 C ATOM 812 C GLU A 56 1.679 16.003 -5.201 1.00 0.00 C ATOM 813 O GLU A 56 0.586 16.040 -4.636 1.00 0.00 O ATOM 814 CB GLU A 56 2.394 18.136 -6.295 1.00 0.00 C ATOM 815 CG GLU A 56 2.752 17.539 -7.647 1.00 0.00 C ATOM 816 CD GLU A 56 1.572 16.862 -8.316 1.00 0.00 C ATOM 817 OE1 GLU A 56 0.422 17.275 -8.053 1.00 0.00 O ATOM 818 OE2 GLU A 56 1.797 15.919 -9.104 1.00 0.00 O ATOM 0 H GLU A 56 4.588 17.093 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 56 2.455 17.716 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.344 18.428 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.976 19.045 -6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.132 18.326 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.557 16.815 -7.519 1.00 0.00 H new ATOM 825 N LYS A 57 2.094 14.955 -5.906 1.00 0.00 N ATOM 826 CA LYS A 57 1.272 13.763 -6.060 1.00 0.00 C ATOM 827 C LYS A 57 1.090 13.049 -4.723 1.00 0.00 C ATOM 828 O LYS A 57 1.729 12.032 -4.459 1.00 0.00 O ATOM 829 CB LYS A 57 1.901 12.811 -7.079 1.00 0.00 C ATOM 830 CG LYS A 57 0.881 12.043 -7.904 1.00 0.00 C ATOM 831 CD LYS A 57 1.555 11.172 -8.953 1.00 0.00 C ATOM 832 CE LYS A 57 0.876 9.816 -9.075 1.00 0.00 C ATOM 833 NZ LYS A 57 0.275 9.615 -10.423 1.00 0.00 N ATOM 0 H LYS A 57 2.996 14.909 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 57 0.292 14.074 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.543 13.382 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.540 12.101 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.275 11.420 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.204 12.744 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.532 11.679 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.604 11.032 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.603 9.027 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.100 9.729 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.178 8.680 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.437 10.352 -10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.019 9.672 -11.147 1.00 0.00 H new ATOM 847 N MET A 58 0.214 13.592 -3.884 1.00 0.00 N ATOM 848 CA MET A 58 -0.052 13.009 -2.573 1.00 0.00 C ATOM 849 C MET A 58 -0.581 11.584 -2.704 1.00 0.00 C ATOM 850 O MET A 58 -1.774 11.376 -2.918 1.00 0.00 O ATOM 851 CB MET A 58 -1.058 13.866 -1.801 1.00 0.00 C ATOM 852 CG MET A 58 -2.252 14.313 -2.634 1.00 0.00 C ATOM 853 SD MET A 58 -2.537 16.091 -2.541 1.00 0.00 S ATOM 854 CE MET A 58 -3.332 16.388 -4.117 1.00 0.00 C ATOM 0 H MET A 58 -0.324 14.434 -4.088 1.00 0.00 H new ATOM 0 HA MET A 58 0.889 12.980 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.418 13.301 -0.941 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.548 14.747 -1.412 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.091 14.029 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.144 13.788 -2.294 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.683 17.419 -4.159 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.619 16.214 -4.923 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.179 15.712 -4.230 1.00 0.00 H new ATOM 864 N MET A 59 0.310 10.605 -2.573 1.00 0.00 N ATOM 865 CA MET A 59 -0.081 9.203 -2.674 1.00 0.00 C ATOM 866 C MET A 59 1.002 8.285 -2.108 1.00 0.00 C ATOM 867 O MET A 59 2.181 8.641 -2.090 1.00 0.00 O ATOM 868 CB MET A 59 -0.387 8.842 -4.128 1.00 0.00 C ATOM 869 CG MET A 59 0.583 9.434 -5.129 1.00 0.00 C ATOM 870 SD MET A 59 1.165 8.231 -6.340 1.00 0.00 S ATOM 871 CE MET A 59 2.914 8.612 -6.381 1.00 0.00 C ATOM 0 H MET A 59 1.303 10.756 -2.397 1.00 0.00 H new ATOM 0 HA MET A 59 -0.983 9.059 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.381 7.757 -4.231 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.394 9.180 -4.371 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.100 10.261 -5.649 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.439 9.849 -4.596 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.482 7.697 -6.547 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.114 9.315 -7.190 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.212 9.057 -5.432 1.00 0.00 H new ATOM 881 N LEU A 60 0.595 7.107 -1.634 1.00 0.00 N ATOM 882 CA LEU A 60 1.537 6.148 -1.059 1.00 0.00 C ATOM 883 C LEU A 60 1.138 4.705 -1.370 1.00 0.00 C ATOM 884 O LEU A 60 -0.015 4.421 -1.694 1.00 0.00 O ATOM 885 CB LEU A 60 1.635 6.342 0.457 1.00 0.00 C ATOM 886 CG LEU A 60 0.354 6.830 1.139 1.00 0.00 C ATOM 887 CD1 LEU A 60 0.395 6.528 2.628 1.00 0.00 C ATOM 888 CD2 LEU A 60 0.161 8.320 0.899 1.00 0.00 C ATOM 0 H LEU A 60 -0.376 6.795 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 60 2.510 6.334 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.930 5.395 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.432 7.056 0.664 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.494 6.299 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.523 6.882 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.488 5.452 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.250 7.033 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.754 8.652 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.011 8.867 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.087 8.510 -0.172 1.00 0.00 H new ATOM 900 N ARG A 61 2.109 3.799 -1.262 1.00 0.00 N ATOM 901 CA ARG A 61 1.888 2.381 -1.521 1.00 0.00 C ATOM 902 C ARG A 61 2.342 1.549 -0.324 1.00 0.00 C ATOM 903 O ARG A 61 3.343 1.867 0.312 1.00 0.00 O ATOM 904 CB ARG A 61 2.649 1.955 -2.783 1.00 0.00 C ATOM 905 CG ARG A 61 3.784 0.973 -2.529 1.00 0.00 C ATOM 906 CD ARG A 61 4.409 0.494 -3.829 1.00 0.00 C ATOM 907 NE ARG A 61 5.858 0.348 -3.718 1.00 0.00 N ATOM 908 CZ ARG A 61 6.628 -0.162 -4.677 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.091 -0.574 -5.819 1.00 0.00 N ATOM 910 NH2 ARG A 61 7.937 -0.260 -4.494 1.00 0.00 N ATOM 0 H ARG A 61 3.066 4.028 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 61 0.823 2.212 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.945 1.505 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.055 2.844 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.546 1.448 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.407 0.117 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.969 -0.462 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.176 1.201 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 61 6.307 0.655 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.084 -0.501 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.685 -0.964 -6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.355 0.055 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.527 -0.651 -5.229 1.00 0.00 H new ATOM 924 N LEU A 62 1.616 0.480 -0.026 1.00 0.00 N ATOM 925 CA LEU A 62 1.977 -0.388 1.091 1.00 0.00 C ATOM 926 C LEU A 62 2.502 -1.721 0.593 1.00 0.00 C ATOM 927 O LEU A 62 1.965 -2.321 -0.338 1.00 0.00 O ATOM 928 CB LEU A 62 0.803 -0.594 2.055 1.00 0.00 C ATOM 929 CG LEU A 62 -0.460 0.226 1.768 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.707 -0.591 2.069 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.457 1.510 2.582 1.00 0.00 C ATOM 0 H LEU A 62 0.780 0.193 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 62 2.772 0.111 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.535 -1.650 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.143 -0.359 3.064 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.467 0.488 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.594 0.008 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.716 -1.484 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.706 -0.883 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.361 2.080 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.426 1.267 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.418 2.105 2.320 1.00 0.00 H new ATOM 943 N ILE A 63 3.581 -2.153 1.222 1.00 0.00 N ATOM 944 CA ILE A 63 4.246 -3.391 0.874 1.00 0.00 C ATOM 945 C ILE A 63 3.662 -4.575 1.641 1.00 0.00 C ATOM 946 O ILE A 63 3.525 -4.526 2.858 1.00 0.00 O ATOM 947 CB ILE A 63 5.750 -3.259 1.182 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.517 -2.837 -0.068 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.307 -4.542 1.756 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.394 -1.360 -0.361 1.00 0.00 C ATOM 0 H ILE A 63 4.021 -1.650 1.993 1.00 0.00 H new ATOM 0 HA ILE A 63 4.095 -3.577 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 63 5.874 -2.482 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.570 -3.092 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.149 -3.404 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.370 -4.417 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.784 -4.784 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.170 -5.351 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.960 -1.119 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.345 -1.105 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.788 -0.788 0.479 1.00 0.00 H new ATOM 962 N GLY A 64 3.346 -5.649 0.923 1.00 0.00 N ATOM 963 CA GLY A 64 2.807 -6.835 1.565 1.00 0.00 C ATOM 964 C GLY A 64 3.902 -7.723 2.128 1.00 0.00 C ATOM 965 O GLY A 64 3.838 -8.944 2.011 1.00 0.00 O ATOM 0 H GLY A 64 3.453 -5.719 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.132 -6.538 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.216 -7.400 0.845 1.00 0.00 H new ATOM 969 N LYS A 65 4.906 -7.086 2.737 1.00 0.00 N ATOM 970 CA LYS A 65 6.059 -7.765 3.334 1.00 0.00 C ATOM 971 C LYS A 65 6.589 -8.904 2.461 1.00 0.00 C ATOM 972 O LYS A 65 5.831 -9.616 1.806 1.00 0.00 O ATOM 973 CB LYS A 65 5.739 -8.274 4.742 1.00 0.00 C ATOM 974 CG LYS A 65 4.360 -8.895 4.892 1.00 0.00 C ATOM 975 CD LYS A 65 4.310 -10.306 4.326 1.00 0.00 C ATOM 976 CE LYS A 65 4.195 -11.346 5.430 1.00 0.00 C ATOM 977 NZ LYS A 65 4.209 -12.733 4.889 1.00 0.00 N ATOM 0 H LYS A 65 4.941 -6.071 2.830 1.00 0.00 H new ATOM 0 HA LYS A 65 6.850 -7.018 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.489 -9.013 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.828 -7.444 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.084 -8.917 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.624 -8.273 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.461 -10.398 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.208 -10.495 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.019 -11.222 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.273 -11.183 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.129 -13.412 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.408 -12.860 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.100 -12.897 4.378 1.00 0.00 H new ATOM 991 N VAL A 66 7.907 -9.070 2.457 1.00 0.00 N ATOM 992 CA VAL A 66 8.540 -10.111 1.670 1.00 0.00 C ATOM 993 C VAL A 66 9.387 -11.032 2.540 1.00 0.00 C ATOM 994 O VAL A 66 9.782 -10.670 3.649 1.00 0.00 O ATOM 995 CB VAL A 66 9.418 -9.527 0.559 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.753 -10.590 -0.476 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.743 -8.329 -0.094 1.00 0.00 C ATOM 0 H VAL A 66 8.556 -8.493 2.993 1.00 0.00 H new ATOM 0 HA VAL A 66 7.733 -10.687 1.218 1.00 0.00 H new ATOM 0 HB VAL A 66 10.350 -9.184 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.377 -10.154 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.290 -11.408 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.832 -10.970 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.386 -7.932 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.791 -8.638 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.567 -7.557 0.655 1.00 0.00 H new ATOM 1311 N ARG A 86 2.037 -5.597 -3.490 1.00 0.00 N ATOM 1312 CA ARG A 86 1.930 -4.279 -2.875 1.00 0.00 C ATOM 1313 C ARG A 86 0.592 -3.625 -3.198 1.00 0.00 C ATOM 1314 O ARG A 86 -0.173 -4.121 -4.026 1.00 0.00 O ATOM 1315 CB ARG A 86 3.072 -3.377 -3.344 1.00 0.00 C ATOM 1316 CG ARG A 86 4.383 -3.637 -2.625 1.00 0.00 C ATOM 1317 CD ARG A 86 5.509 -3.947 -3.600 1.00 0.00 C ATOM 1318 NE ARG A 86 6.749 -3.266 -3.237 1.00 0.00 N ATOM 1319 CZ ARG A 86 7.950 -3.624 -3.686 1.00 0.00 C ATOM 1320 NH1 ARG A 86 8.077 -4.655 -4.513 1.00 0.00 N ATOM 1321 NH2 ARG A 86 9.027 -2.950 -3.307 1.00 0.00 N ATOM 0 HA ARG A 86 1.996 -4.411 -1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.220 -3.518 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.786 -2.336 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.649 -2.765 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.260 -4.471 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.680 -5.023 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.211 -3.647 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 86 6.691 -2.470 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.252 -5.177 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.000 -4.925 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.935 -2.157 -2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.947 -3.224 -3.651 1.00 0.00 H new ATOM 1335 N HIS A 87 0.323 -2.504 -2.539 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.917 -1.765 -2.750 1.00 0.00 C ATOM 1337 C HIS A 87 -0.618 -0.306 -3.078 1.00 0.00 C ATOM 1338 O HIS A 87 0.298 0.287 -2.510 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.806 -1.851 -1.509 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.123 -3.255 -1.096 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -3.214 -3.952 -1.571 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.484 -4.094 -0.246 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -3.232 -5.158 -1.031 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -2.193 -5.269 -0.225 1.00 0.00 N ATOM 0 H HIS A 87 0.949 -2.085 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.445 -2.213 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.312 -1.340 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.737 -1.319 -1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.584 -3.879 0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.971 -5.923 -1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.955 -6.095 0.325 1.00 0.00 H new ATOM 1353 N MET A 88 -1.385 0.266 -4.000 1.00 0.00 N ATOM 1354 CA MET A 88 -1.183 1.654 -4.399 1.00 0.00 C ATOM 1355 C MET A 88 -2.507 2.410 -4.479 1.00 0.00 C ATOM 1356 O MET A 88 -3.461 1.957 -5.113 1.00 0.00 O ATOM 1357 CB MET A 88 -0.444 1.708 -5.746 1.00 0.00 C ATOM 1358 CG MET A 88 -0.842 2.874 -6.649 1.00 0.00 C ATOM 1359 SD MET A 88 -2.219 2.471 -7.746 1.00 0.00 S ATOM 1360 CE MET A 88 -1.867 3.524 -9.155 1.00 0.00 C ATOM 0 H MET A 88 -2.149 -0.207 -4.483 1.00 0.00 H new ATOM 0 HA MET A 88 -0.574 2.143 -3.639 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.628 1.765 -5.554 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.624 0.775 -6.281 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.114 3.730 -6.031 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.018 3.174 -7.248 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.751 4.112 -9.400 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.042 4.193 -8.912 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.593 2.907 -10.011 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.542 3.577 -3.846 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.727 4.425 -3.852 1.00 0.00 C ATOM 1372 C PHE A 89 -3.318 5.886 -3.691 1.00 0.00 C ATOM 1373 O PHE A 89 -2.405 6.204 -2.929 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.711 3.998 -2.757 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.240 4.256 -1.355 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.042 3.734 -0.899 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.011 5.014 -0.490 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.621 3.963 0.398 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.597 5.249 0.806 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.399 4.721 1.251 1.00 0.00 C ATOM 0 H PHE A 89 -1.757 3.959 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.237 4.312 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.654 4.522 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.916 2.933 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.430 3.142 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.948 5.427 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.685 3.550 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.207 5.843 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.072 4.901 2.264 1.00 0.00 H new ATOM 1390 N SER A 90 -3.974 6.768 -4.438 1.00 0.00 N ATOM 1391 CA SER A 90 -3.649 8.190 -4.403 1.00 0.00 C ATOM 1392 C SER A 90 -4.494 8.948 -3.386 1.00 0.00 C ATOM 1393 O SER A 90 -5.650 8.613 -3.148 1.00 0.00 O ATOM 1394 CB SER A 90 -3.839 8.805 -5.790 1.00 0.00 C ATOM 1395 OG SER A 90 -3.563 7.861 -6.810 1.00 0.00 O ATOM 0 H SER A 90 -4.733 6.524 -5.074 1.00 0.00 H new ATOM 0 HA SER A 90 -2.606 8.277 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.862 9.168 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.182 9.668 -5.902 1.00 0.00 H new ATOM 0 HG SER A 90 -3.694 8.279 -7.687 1.00 0.00 H new ATOM 1401 N PHE A 91 -3.903 9.985 -2.803 1.00 0.00 N ATOM 1402 CA PHE A 91 -4.591 10.814 -1.822 1.00 0.00 C ATOM 1403 C PHE A 91 -5.005 12.137 -2.455 1.00 0.00 C ATOM 1404 O PHE A 91 -4.610 12.444 -3.580 1.00 0.00 O ATOM 1405 CB PHE A 91 -3.692 11.077 -0.611 1.00 0.00 C ATOM 1406 CG PHE A 91 -3.475 9.871 0.258 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -2.964 8.697 -0.272 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -3.778 9.915 1.609 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -2.761 7.590 0.530 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -3.576 8.812 2.415 1.00 0.00 C ATOM 1411 CZ PHE A 91 -3.067 7.649 1.875 1.00 0.00 C ATOM 0 H PHE A 91 -2.943 10.272 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.481 10.282 -1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.725 11.440 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.133 11.872 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.722 8.647 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.177 10.823 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.364 6.680 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.816 8.860 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.908 6.785 2.504 1.00 0.00 H new ATOM 1421 N ASN A 92 -5.802 12.919 -1.736 1.00 0.00 N ATOM 1422 CA ASN A 92 -6.260 14.205 -2.249 1.00 0.00 C ATOM 1423 C ASN A 92 -5.824 15.352 -1.341 1.00 0.00 C ATOM 1424 O ASN A 92 -6.482 16.391 -1.280 1.00 0.00 O ATOM 1425 CB ASN A 92 -7.782 14.204 -2.400 1.00 0.00 C ATOM 1426 CG ASN A 92 -8.237 13.519 -3.675 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.370 14.154 -4.721 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -8.478 12.215 -3.594 1.00 0.00 N ATOM 0 H ASN A 92 -6.143 12.688 -0.803 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.804 14.356 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.229 13.702 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.146 15.232 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.786 11.701 -4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.355 11.728 -2.706 1.00 0.00 H new ATOM 1435 N ASN A 93 -4.708 15.161 -0.644 1.00 0.00 N ATOM 1436 CA ASN A 93 -4.181 16.185 0.253 1.00 0.00 C ATOM 1437 C ASN A 93 -2.925 15.690 0.965 1.00 0.00 C ATOM 1438 O ASN A 93 -2.788 14.500 1.249 1.00 0.00 O ATOM 1439 CB ASN A 93 -5.239 16.596 1.281 1.00 0.00 C ATOM 1440 CG ASN A 93 -5.411 18.100 1.363 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -4.585 18.800 1.948 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -6.489 18.605 0.775 1.00 0.00 N ATOM 0 H ASN A 93 -4.151 14.307 -0.683 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.918 17.055 -0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.193 16.138 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.958 16.211 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.658 19.611 0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.148 17.987 0.301 1.00 0.00 H new ATOM 1449 N ARG A 94 -2.009 16.611 1.247 1.00 0.00 N ATOM 1450 CA ARG A 94 -0.763 16.270 1.923 1.00 0.00 C ATOM 1451 C ARG A 94 -1.023 15.805 3.353 1.00 0.00 C ATOM 1452 O ARG A 94 -0.486 14.789 3.793 1.00 0.00 O ATOM 1453 CB ARG A 94 0.182 17.473 1.931 1.00 0.00 C ATOM 1454 CG ARG A 94 1.615 17.118 2.294 1.00 0.00 C ATOM 1455 CD ARG A 94 2.289 18.240 3.066 1.00 0.00 C ATOM 1456 NE ARG A 94 3.557 17.816 3.654 1.00 0.00 N ATOM 1457 CZ ARG A 94 4.358 18.620 4.349 1.00 0.00 C ATOM 1458 NH1 ARG A 94 4.027 19.890 4.545 1.00 0.00 N ATOM 1459 NH2 ARG A 94 5.494 18.153 4.850 1.00 0.00 N ATOM 0 H ARG A 94 -2.107 17.600 1.017 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.297 15.451 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.170 17.940 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.191 18.213 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.625 16.207 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.180 16.909 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.463 19.085 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.622 18.589 3.855 1.00 0.00 H new ATOM 0 HE ARG A 94 3.846 16.846 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.155 20.255 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.645 20.502 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.754 17.178 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.108 18.769 5.383 1.00 0.00 H new ATOM 1473 N THR A 95 -1.849 16.555 4.075 1.00 0.00 N ATOM 1474 CA THR A 95 -2.176 16.219 5.456 1.00 0.00 C ATOM 1475 C THR A 95 -2.852 14.856 5.539 1.00 0.00 C ATOM 1476 O THR A 95 -2.639 14.105 6.490 1.00 0.00 O ATOM 1477 CB THR A 95 -3.082 17.290 6.065 1.00 0.00 C ATOM 1478 OG1 THR A 95 -2.696 18.581 5.626 1.00 0.00 O ATOM 1479 CG2 THR A 95 -3.067 17.296 7.578 1.00 0.00 C ATOM 0 H THR A 95 -2.304 17.399 3.727 1.00 0.00 H new ATOM 0 HA THR A 95 -1.246 16.178 6.022 1.00 0.00 H new ATOM 0 HB THR A 95 -4.089 17.043 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.288 19.253 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.730 18.079 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.407 16.329 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.053 17.484 7.931 1.00 0.00 H new ATOM 1487 N VAL A 96 -3.663 14.538 4.536 1.00 0.00 N ATOM 1488 CA VAL A 96 -4.360 13.260 4.502 1.00 0.00 C ATOM 1489 C VAL A 96 -3.364 12.106 4.487 1.00 0.00 C ATOM 1490 O VAL A 96 -3.478 11.162 5.268 1.00 0.00 O ATOM 1491 CB VAL A 96 -5.279 13.151 3.270 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.052 11.842 3.288 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.233 14.334 3.210 1.00 0.00 C ATOM 0 H VAL A 96 -3.853 15.146 3.739 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.973 13.203 5.402 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.655 13.165 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.694 11.787 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.352 11.006 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.664 11.793 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.874 14.240 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.848 14.351 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.661 15.260 3.144 1.00 0.00 H new ATOM 1503 N MET A 97 -2.386 12.193 3.592 1.00 0.00 N ATOM 1504 CA MET A 97 -1.367 11.161 3.474 1.00 0.00 C ATOM 1505 C MET A 97 -0.439 11.173 4.683 1.00 0.00 C ATOM 1506 O MET A 97 -0.083 10.121 5.212 1.00 0.00 O ATOM 1507 CB MET A 97 -0.556 11.356 2.191 1.00 0.00 C ATOM 1508 CG MET A 97 0.076 12.733 2.071 1.00 0.00 C ATOM 1509 SD MET A 97 1.152 12.879 0.632 1.00 0.00 S ATOM 1510 CE MET A 97 2.427 11.689 1.039 1.00 0.00 C ATOM 0 H MET A 97 -2.279 12.969 2.938 1.00 0.00 H new ATOM 0 HA MET A 97 -1.869 10.194 3.433 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.229 10.601 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.206 11.188 1.332 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.710 13.485 2.010 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.651 12.945 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.407 12.121 0.835 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.358 11.428 2.095 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.294 10.792 0.435 1.00 0.00 H new ATOM 1520 N ASP A 98 -0.049 12.368 5.114 1.00 0.00 N ATOM 1521 CA ASP A 98 0.841 12.511 6.259 1.00 0.00 C ATOM 1522 C ASP A 98 0.158 12.078 7.549 1.00 0.00 C ATOM 1523 O ASP A 98 0.780 11.449 8.405 1.00 0.00 O ATOM 1524 CB ASP A 98 1.322 13.958 6.381 1.00 0.00 C ATOM 1525 CG ASP A 98 2.479 14.103 7.350 1.00 0.00 C ATOM 1526 OD1 ASP A 98 2.222 14.302 8.556 1.00 0.00 O ATOM 1527 OD2 ASP A 98 3.642 14.016 6.903 1.00 0.00 O ATOM 0 H ASP A 98 -0.335 13.250 4.688 1.00 0.00 H new ATOM 0 HA ASP A 98 1.701 11.861 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.626 14.321 5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.495 14.586 6.711 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.120 12.416 7.693 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.857 12.050 8.895 1.00 0.00 C ATOM 1534 C ASN A 99 -1.849 10.538 9.085 1.00 0.00 C ATOM 1535 O ASN A 99 -1.503 10.041 10.157 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.297 12.559 8.811 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.424 14.010 9.233 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -2.580 14.532 9.961 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.483 14.668 8.776 1.00 0.00 N ATOM 0 H ASN A 99 -1.660 12.936 7.001 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.369 12.513 9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.659 12.448 7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.935 11.942 9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.622 15.647 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.157 14.194 8.175 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.206 9.807 8.033 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.206 8.356 8.090 1.00 0.00 C ATOM 1548 C ILE A 100 -0.784 7.814 8.014 1.00 0.00 C ATOM 1549 O ILE A 100 -0.429 6.884 8.734 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.061 7.722 6.977 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.544 8.005 7.221 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.798 6.227 6.887 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.452 7.367 6.195 1.00 0.00 C ATOM 0 H ILE A 100 -2.497 10.197 7.137 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.651 8.083 9.047 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.781 8.170 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.817 7.644 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.706 9.083 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.411 5.797 6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.745 6.056 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.049 5.756 7.837 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.489 7.608 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.205 7.747 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.318 6.285 6.213 1.00 0.00 H new ATOM 1565 N LYS A 101 0.033 8.401 7.137 1.00 0.00 N ATOM 1566 CA LYS A 101 1.415 7.961 6.986 1.00 0.00 C ATOM 1567 C LYS A 101 2.105 7.984 8.336 1.00 0.00 C ATOM 1568 O LYS A 101 2.827 7.057 8.697 1.00 0.00 O ATOM 1569 CB LYS A 101 2.167 8.844 5.984 1.00 0.00 C ATOM 1570 CG LYS A 101 3.646 8.507 5.860 1.00 0.00 C ATOM 1571 CD LYS A 101 4.515 9.748 5.986 1.00 0.00 C ATOM 1572 CE LYS A 101 5.825 9.442 6.694 1.00 0.00 C ATOM 1573 NZ LYS A 101 6.873 10.453 6.386 1.00 0.00 N ATOM 0 H LYS A 101 -0.237 9.173 6.528 1.00 0.00 H new ATOM 0 HA LYS A 101 1.417 6.942 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.698 8.747 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.065 9.887 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.922 7.789 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.831 8.028 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.722 10.151 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.974 10.518 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.657 9.410 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.176 8.454 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.750 10.208 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.052 10.466 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.550 11.393 6.693 1.00 0.00 H new ATOM 1587 N MET A 102 1.844 9.040 9.085 1.00 0.00 N ATOM 1588 CA MET A 102 2.403 9.184 10.420 1.00 0.00 C ATOM 1589 C MET A 102 1.813 8.120 11.340 1.00 0.00 C ATOM 1590 O MET A 102 2.451 7.686 12.299 1.00 0.00 O ATOM 1591 CB MET A 102 2.115 10.580 10.975 1.00 0.00 C ATOM 1592 CG MET A 102 3.134 11.626 10.554 1.00 0.00 C ATOM 1593 SD MET A 102 3.466 12.835 11.849 1.00 0.00 S ATOM 1594 CE MET A 102 1.812 13.435 12.184 1.00 0.00 C ATOM 0 H MET A 102 1.247 9.813 8.792 1.00 0.00 H new ATOM 0 HA MET A 102 3.484 9.053 10.366 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.125 10.896 10.645 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.087 10.530 12.063 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.065 11.130 10.278 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.772 12.142 9.665 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.868 14.330 12.803 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.314 13.674 11.244 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.245 12.666 12.709 1.00 0.00 H new ATOM 1604 N THR A 103 0.589 7.695 11.026 1.00 0.00 N ATOM 1605 CA THR A 103 -0.097 6.679 11.797 1.00 0.00 C ATOM 1606 C THR A 103 0.464 5.303 11.465 1.00 0.00 C ATOM 1607 O THR A 103 0.876 4.559 12.352 1.00 0.00 O ATOM 1608 CB THR A 103 -1.598 6.729 11.483 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.290 7.510 12.440 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.263 5.374 11.430 1.00 0.00 C ATOM 0 H THR A 103 0.054 8.048 10.233 1.00 0.00 H new ATOM 0 HA THR A 103 0.055 6.868 12.860 1.00 0.00 H new ATOM 0 HB THR A 103 -1.656 7.173 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.244 7.529 12.218 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.322 5.497 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.794 4.768 10.655 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.154 4.877 12.394 1.00 0.00 H new ATOM 1618 N LEU A 104 0.477 4.983 10.175 1.00 0.00 N ATOM 1619 CA LEU A 104 0.982 3.702 9.707 1.00 0.00 C ATOM 1620 C LEU A 104 2.460 3.570 10.005 1.00 0.00 C ATOM 1621 O LEU A 104 2.952 2.486 10.305 1.00 0.00 O ATOM 1622 CB LEU A 104 0.720 3.538 8.209 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.611 2.864 7.854 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.317 3.613 6.729 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.382 1.407 7.472 1.00 0.00 C ATOM 0 H LEU A 104 0.141 5.598 9.434 1.00 0.00 H new ATOM 0 HA LEU A 104 0.454 2.910 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.748 4.522 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.532 2.955 7.775 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.255 2.894 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.258 3.116 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.516 4.638 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.682 3.622 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.336 0.942 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.282 1.357 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.071 0.878 8.310 1.00 0.00 H new ATOM 1637 N GLN A 105 3.159 4.685 9.931 1.00 0.00 N ATOM 1638 CA GLN A 105 4.582 4.709 10.203 1.00 0.00 C ATOM 1639 C GLN A 105 4.869 4.169 11.600 1.00 0.00 C ATOM 1640 O GLN A 105 5.892 3.525 11.830 1.00 0.00 O ATOM 1641 CB GLN A 105 5.087 6.139 10.091 1.00 0.00 C ATOM 1642 CG GLN A 105 5.716 6.464 8.746 1.00 0.00 C ATOM 1643 CD GLN A 105 7.060 5.790 8.554 1.00 0.00 C ATOM 1644 OE1 GLN A 105 8.103 6.349 8.896 1.00 0.00 O ATOM 1645 NE2 GLN A 105 7.043 4.582 8.003 1.00 0.00 N ATOM 0 H GLN A 105 2.762 5.591 9.683 1.00 0.00 H new ATOM 0 HA GLN A 105 5.094 4.077 9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.257 6.823 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.820 6.318 10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.041 6.154 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.839 7.543 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.156 4.156 7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.917 4.080 7.848 1.00 0.00 H new ATOM 1654 N GLN A 106 3.956 4.439 12.529 1.00 0.00 N ATOM 1655 CA GLN A 106 4.111 3.982 13.899 1.00 0.00 C ATOM 1656 C GLN A 106 3.761 2.510 14.022 1.00 0.00 C ATOM 1657 O GLN A 106 4.477 1.742 14.661 1.00 0.00 O ATOM 1658 CB GLN A 106 3.243 4.813 14.845 1.00 0.00 C ATOM 1659 CG GLN A 106 3.724 6.244 15.014 1.00 0.00 C ATOM 1660 CD GLN A 106 5.144 6.323 15.541 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.101 6.031 14.825 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.286 6.719 16.801 1.00 0.00 N ATOM 0 H GLN A 106 3.104 4.971 12.354 1.00 0.00 H new ATOM 0 HA GLN A 106 5.156 4.111 14.180 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.220 4.825 14.470 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.219 4.329 15.821 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.667 6.758 14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.057 6.769 15.697 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.464 6.951 17.358 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.217 6.791 17.211 1.00 0.00 H new ATOM 1671 N ILE A 107 2.657 2.125 13.397 1.00 0.00 N ATOM 1672 CA ILE A 107 2.206 0.746 13.423 1.00 0.00 C ATOM 1673 C ILE A 107 3.191 -0.133 12.667 1.00 0.00 C ATOM 1674 O ILE A 107 3.583 -1.199 13.142 1.00 0.00 O ATOM 1675 CB ILE A 107 0.805 0.603 12.799 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.024 1.874 13.030 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.098 -0.618 13.371 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.513 1.685 12.842 1.00 0.00 C ATOM 0 H ILE A 107 2.056 2.754 12.864 1.00 0.00 H new ATOM 0 HA ILE A 107 2.151 0.429 14.465 1.00 0.00 H new ATOM 0 HB ILE A 107 0.915 0.466 11.723 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.160 2.236 14.042 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.322 2.649 12.346 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.891 -0.709 12.923 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.680 -1.512 13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.002 -0.508 14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.025 2.630 13.024 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.712 1.354 11.823 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.876 0.935 13.544 1.00 0.00 H new ATOM 1690 N ILE A 108 3.611 0.341 11.497 1.00 0.00 N ATOM 1691 CA ILE A 108 4.580 -0.380 10.686 1.00 0.00 C ATOM 1692 C ILE A 108 5.877 -0.510 11.460 1.00 0.00 C ATOM 1693 O ILE A 108 6.520 -1.558 11.465 1.00 0.00 O ATOM 1694 CB ILE A 108 4.824 0.333 9.334 1.00 0.00 C ATOM 1695 CG1 ILE A 108 4.980 -0.695 8.213 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.038 1.253 9.394 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.842 -0.674 7.215 1.00 0.00 C ATOM 0 H ILE A 108 3.294 1.222 11.092 1.00 0.00 H new ATOM 0 HA ILE A 108 4.185 -1.371 10.464 1.00 0.00 H new ATOM 0 HB ILE A 108 3.954 0.955 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.917 -0.510 7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.051 -1.691 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.177 1.736 8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.881 2.013 10.159 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.925 0.669 9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.017 -1.428 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.904 -0.889 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.784 0.310 6.750 1.00 0.00 H new ATOM 1709 N SER A 109 6.224 0.566 12.148 1.00 0.00 N ATOM 1710 CA SER A 109 7.417 0.590 12.977 1.00 0.00 C ATOM 1711 C SER A 109 7.202 -0.318 14.177 1.00 0.00 C ATOM 1712 O SER A 109 8.121 -0.992 14.642 1.00 0.00 O ATOM 1713 CB SER A 109 7.725 2.016 13.438 1.00 0.00 C ATOM 1714 OG SER A 109 8.930 2.063 14.182 1.00 0.00 O ATOM 0 H SER A 109 5.694 1.437 12.148 1.00 0.00 H new ATOM 0 HA SER A 109 8.268 0.234 12.396 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.803 2.673 12.571 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.903 2.390 14.048 1.00 0.00 H new ATOM 0 HG SER A 109 9.105 2.985 14.463 1.00 0.00 H new ATOM 1720 N ARG A 110 5.962 -0.334 14.663 1.00 0.00 N ATOM 1721 CA ARG A 110 5.585 -1.158 15.796 1.00 0.00 C ATOM 1722 C ARG A 110 5.694 -2.632 15.428 1.00 0.00 C ATOM 1723 O ARG A 110 6.316 -3.419 16.141 1.00 0.00 O ATOM 1724 CB ARG A 110 4.156 -0.790 16.223 1.00 0.00 C ATOM 1725 CG ARG A 110 3.195 -1.962 16.353 1.00 0.00 C ATOM 1726 CD ARG A 110 3.532 -2.828 17.552 1.00 0.00 C ATOM 1727 NE ARG A 110 3.425 -4.253 17.248 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.271 -4.916 17.200 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.126 -4.288 17.434 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.263 -6.212 16.917 1.00 0.00 N ATOM 0 H ARG A 110 5.198 0.223 14.280 1.00 0.00 H new ATOM 0 HA ARG A 110 6.259 -0.978 16.634 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.203 -0.272 17.181 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.748 -0.085 15.499 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.175 -1.589 16.448 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.231 -2.565 15.446 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.545 -2.604 17.887 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.862 -2.582 18.376 1.00 0.00 H new ATOM 0 HE ARG A 110 4.284 -4.770 17.062 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.126 -3.292 17.652 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.246 -4.802 17.396 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.140 -6.700 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.380 -6.721 16.880 1.00 0.00 H new ATOM 1744 N TYR A 111 5.090 -2.994 14.303 1.00 0.00 N ATOM 1745 CA TYR A 111 5.128 -4.372 13.834 1.00 0.00 C ATOM 1746 C TYR A 111 6.530 -4.738 13.355 1.00 0.00 C ATOM 1747 O TYR A 111 6.862 -5.915 13.215 1.00 0.00 O ATOM 1748 CB TYR A 111 4.102 -4.586 12.718 1.00 0.00 C ATOM 1749 CG TYR A 111 2.699 -4.787 13.240 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.331 -5.981 13.847 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.745 -3.781 13.138 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.055 -6.168 14.338 1.00 0.00 C ATOM 1753 CE2 TYR A 111 0.463 -3.962 13.626 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.125 -5.157 14.225 1.00 0.00 C ATOM 1755 OH TYR A 111 -1.144 -5.340 14.717 1.00 0.00 O ATOM 0 H TYR A 111 4.570 -2.355 13.701 1.00 0.00 H new ATOM 0 HA TYR A 111 4.871 -5.027 14.667 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.116 -3.726 12.049 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.392 -5.454 12.126 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.056 -6.777 13.936 1.00 0.00 H new ATOM 0 HD2 TYR A 111 2.009 -2.844 12.671 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.786 -7.102 14.809 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -0.268 -3.172 13.538 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.739 -5.622 13.991 1.00 0.00 H new ATOM 1765 N LYS A 112 7.355 -3.720 13.120 1.00 0.00 N ATOM 1766 CA LYS A 112 8.725 -3.931 12.676 1.00 0.00 C ATOM 1767 C LYS A 112 9.634 -4.211 13.868 1.00 0.00 C ATOM 1768 O LYS A 112 10.609 -4.954 13.757 1.00 0.00 O ATOM 1769 CB LYS A 112 9.232 -2.706 11.912 1.00 0.00 C ATOM 1770 CG LYS A 112 8.781 -2.665 10.461 1.00 0.00 C ATOM 1771 CD LYS A 112 9.916 -3.015 9.513 1.00 0.00 C ATOM 1772 CE LYS A 112 9.491 -2.869 8.061 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.174 -4.185 7.439 1.00 0.00 N ATOM 0 H LYS A 112 7.095 -2.740 13.231 1.00 0.00 H new ATOM 0 HA LYS A 112 8.741 -4.794 12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.886 -1.804 12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.321 -2.692 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.956 -3.363 10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.402 -1.671 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.770 -2.367 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.243 -4.038 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.617 -2.220 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.287 -2.383 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.639 -4.252 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.516 -4.951 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.145 -4.273 7.317 1.00 0.00 H new ATOM 1787 N ASP A 113 9.305 -3.611 15.010 1.00 0.00 N ATOM 1788 CA ASP A 113 10.092 -3.797 16.224 1.00 0.00 C ATOM 1789 C ASP A 113 9.825 -5.167 16.840 1.00 0.00 C ATOM 1790 O ASP A 113 10.753 -5.868 17.244 1.00 0.00 O ATOM 1791 CB ASP A 113 9.772 -2.698 17.238 1.00 0.00 C ATOM 1792 CG ASP A 113 10.991 -2.271 18.032 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.346 -2.976 19.000 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.590 -1.231 17.687 1.00 0.00 O ATOM 0 H ASP A 113 8.500 -2.994 15.119 1.00 0.00 H new ATOM 0 HA ASP A 113 11.147 -3.738 15.956 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.361 -1.834 16.716 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.002 -3.052 17.923 1.00 0.00 H new ATOM 1799 N ALA A 114 8.552 -5.541 16.908 1.00 0.00 N ATOM 1800 CA ALA A 114 8.163 -6.826 17.475 1.00 0.00 C ATOM 1801 C ALA A 114 8.778 -7.981 16.691 1.00 0.00 C ATOM 1802 O ALA A 114 9.319 -8.921 17.274 1.00 0.00 O ATOM 1803 CB ALA A 114 6.647 -6.953 17.501 1.00 0.00 C ATOM 0 H ALA A 114 7.772 -4.972 16.577 1.00 0.00 H new ATOM 0 HA ALA A 114 8.539 -6.873 18.497 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.370 -7.917 17.927 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.225 -6.153 18.109 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.258 -6.880 16.485 1.00 0.00 H new ATOM 1809 N ASP A 115 8.693 -7.902 15.368 1.00 0.00 N ATOM 1810 CA ASP A 115 9.242 -8.940 14.503 1.00 0.00 C ATOM 1811 C ASP A 115 10.747 -9.083 14.713 1.00 0.00 C ATOM 1812 O ASP A 115 11.157 -10.019 15.431 1.00 0.00 O ATOM 1813 CB ASP A 115 8.948 -8.621 13.037 1.00 0.00 C ATOM 1814 CG ASP A 115 8.643 -9.864 12.224 1.00 0.00 C ATOM 1815 OD1 ASP A 115 9.469 -10.801 12.239 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.577 -9.901 11.573 1.00 0.00 O ATOM 1817 OXT ASP A 115 11.502 -8.259 14.156 1.00 0.00 O ATOM 0 H ASP A 115 8.249 -7.130 14.871 1.00 0.00 H new ATOM 0 HA ASP A 115 8.765 -9.885 14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.102 -7.936 12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.804 -8.106 12.601 1.00 0.00 H new ATOM 2088 N PHE B 475 3.719 4.712 -11.277 1.00 0.00 N ATOM 2089 CA PHE B 475 3.555 5.174 -9.910 1.00 0.00 C ATOM 2090 C PHE B 475 4.608 4.543 -9.015 1.00 0.00 C ATOM 2091 O PHE B 475 5.049 5.151 -8.041 1.00 0.00 O ATOM 2092 CB PHE B 475 2.131 4.898 -9.388 1.00 0.00 C ATOM 2093 CG PHE B 475 1.873 3.498 -8.892 1.00 0.00 C ATOM 2094 CD1 PHE B 475 2.592 2.949 -7.839 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.888 2.737 -9.484 1.00 0.00 C ATOM 2096 CE1 PHE B 475 2.327 1.665 -7.397 1.00 0.00 C ATOM 2097 CE2 PHE B 475 0.617 1.456 -9.048 1.00 0.00 C ATOM 2098 CZ PHE B 475 1.338 0.919 -8.004 1.00 0.00 C ATOM 0 HA PHE B 475 3.694 6.255 -9.894 1.00 0.00 H new ATOM 0 HB2 PHE B 475 1.921 5.595 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE B 475 1.423 5.116 -10.187 1.00 0.00 H new ATOM 0 HD1 PHE B 475 3.366 3.530 -7.360 1.00 0.00 H new ATOM 0 HD2 PHE B 475 0.318 3.150 -10.303 1.00 0.00 H new ATOM 0 HE1 PHE B 475 2.894 1.247 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.159 0.875 -9.524 1.00 0.00 H new ATOM 0 HZ PHE B 475 1.129 -0.084 -7.662 1.00 0.00 H new ATOM 2108 N GLU B 476 5.013 3.319 -9.351 1.00 0.00 N ATOM 2109 CA GLU B 476 6.017 2.618 -8.566 1.00 0.00 C ATOM 2110 C GLU B 476 7.326 3.385 -8.533 1.00 0.00 C ATOM 2111 O GLU B 476 8.073 3.304 -7.560 1.00 0.00 O ATOM 2112 CB GLU B 476 6.246 1.210 -9.093 1.00 0.00 C ATOM 2113 CG GLU B 476 4.960 0.449 -9.353 1.00 0.00 C ATOM 2114 CD GLU B 476 5.140 -1.053 -9.252 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.962 -1.498 -8.423 1.00 0.00 O ATOM 2116 OE2 GLU B 476 4.459 -1.784 -10.002 1.00 0.00 O ATOM 0 H GLU B 476 4.662 2.799 -10.155 1.00 0.00 H new ATOM 0 HA GLU B 476 5.636 2.546 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU B 476 6.821 1.265 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.850 0.655 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU B 476 4.202 0.769 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU B 476 4.588 0.701 -10.346 1.00 0.00 H new ATOM 2123 N GLN B 477 7.598 4.152 -9.582 1.00 0.00 N ATOM 2124 CA GLN B 477 8.823 4.946 -9.621 1.00 0.00 C ATOM 2125 C GLN B 477 8.839 5.905 -8.444 1.00 0.00 C ATOM 2126 O GLN B 477 9.813 5.970 -7.694 1.00 0.00 O ATOM 2127 CB GLN B 477 8.939 5.710 -10.941 1.00 0.00 C ATOM 2128 CG GLN B 477 9.726 4.966 -12.008 1.00 0.00 C ATOM 2129 CD GLN B 477 9.794 5.725 -13.318 1.00 0.00 C ATOM 2130 OE1 GLN B 477 8.798 5.845 -14.032 1.00 0.00 O ATOM 2131 NE2 GLN B 477 10.973 6.244 -13.641 1.00 0.00 N ATOM 0 H GLN B 477 7.000 4.242 -10.404 1.00 0.00 H new ATOM 0 HA GLN B 477 9.680 4.277 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN B 477 7.938 5.919 -11.319 1.00 0.00 H new ATOM 0 HB3 GLN B 477 9.416 6.672 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN B 477 10.738 4.782 -11.646 1.00 0.00 H new ATOM 0 HG3 GLN B 477 9.267 3.992 -12.180 1.00 0.00 H new ATOM 0 HE21 GLN B 477 11.772 6.120 -13.019 1.00 0.00 H new ATOM 0 HE22 GLN B 477 11.079 6.766 -14.511 1.00 0.00 H new ATOM 2140 N MET B 478 7.733 6.611 -8.257 1.00 0.00 N ATOM 2141 CA MET B 478 7.601 7.520 -7.132 1.00 0.00 C ATOM 2142 C MET B 478 7.163 6.729 -5.901 1.00 0.00 C ATOM 2143 O MET B 478 7.039 7.273 -4.803 1.00 0.00 O ATOM 2144 CB MET B 478 6.585 8.620 -7.444 1.00 0.00 C ATOM 2145 CG MET B 478 7.089 9.648 -8.443 1.00 0.00 C ATOM 2146 SD MET B 478 5.753 10.433 -9.366 1.00 0.00 S ATOM 2147 CE MET B 478 4.985 11.416 -8.082 1.00 0.00 C ATOM 0 H MET B 478 6.918 6.571 -8.869 1.00 0.00 H new ATOM 0 HA MET B 478 8.563 7.995 -6.939 1.00 0.00 H new ATOM 0 HB2 MET B 478 5.675 8.163 -7.833 1.00 0.00 H new ATOM 0 HB3 MET B 478 6.316 9.127 -6.518 1.00 0.00 H new ATOM 0 HG2 MET B 478 7.659 10.413 -7.915 1.00 0.00 H new ATOM 0 HG3 MET B 478 7.773 9.166 -9.141 1.00 0.00 H new ATOM 0 HE1 MET B 478 4.232 12.068 -8.524 1.00 0.00 H new ATOM 0 HE2 MET B 478 4.512 10.757 -7.354 1.00 0.00 H new ATOM 0 HE3 MET B 478 5.743 12.022 -7.585 1.00 0.00 H new ATOM 2157 N PHE B 479 6.926 5.430 -6.108 1.00 0.00 N ATOM 2158 CA PHE B 479 6.497 4.535 -5.047 1.00 0.00 C ATOM 2159 C PHE B 479 7.563 3.493 -4.721 1.00 0.00 C ATOM 2160 O PHE B 479 7.271 2.482 -4.083 1.00 0.00 O ATOM 2161 CB PHE B 479 5.190 3.839 -5.445 1.00 0.00 C ATOM 2162 CG PHE B 479 3.955 4.591 -5.018 1.00 0.00 C ATOM 2163 CD1 PHE B 479 4.034 5.911 -4.594 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.715 3.974 -5.031 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.905 6.593 -4.192 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.583 4.652 -4.626 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.679 5.963 -4.206 1.00 0.00 C ATOM 0 H PHE B 479 7.028 4.977 -7.016 1.00 0.00 H new ATOM 0 HA PHE B 479 6.334 5.135 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE B 479 5.171 3.710 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE B 479 5.169 2.842 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.992 6.410 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.633 2.949 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE B 479 2.981 7.620 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.623 4.157 -4.638 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.794 6.495 -3.889 1.00 0.00 H new ATOM 2177 N THR B 480 8.801 3.742 -5.143 1.00 0.00 N ATOM 2178 CA THR B 480 9.883 2.817 -4.866 1.00 0.00 C ATOM 2179 C THR B 480 10.973 3.513 -4.058 1.00 0.00 C ATOM 2180 O THR B 480 11.754 4.302 -4.590 1.00 0.00 O ATOM 2181 CB THR B 480 10.462 2.257 -6.170 1.00 0.00 C ATOM 2182 OG1 THR B 480 9.505 1.454 -6.837 1.00 0.00 O ATOM 2183 CG2 THR B 480 11.702 1.412 -5.967 1.00 0.00 C ATOM 0 H THR B 480 9.072 4.570 -5.673 1.00 0.00 H new ATOM 0 HA THR B 480 9.488 1.986 -4.282 1.00 0.00 H new ATOM 0 HB THR B 480 10.732 3.132 -6.762 1.00 0.00 H new ATOM 0 HG1 THR B 480 8.655 1.938 -6.894 1.00 0.00 H new ATOM 0 HG21 THR B 480 12.057 1.049 -6.932 1.00 0.00 H new ATOM 0 HG22 THR B 480 12.480 2.014 -5.497 1.00 0.00 H new ATOM 0 HG23 THR B 480 11.463 0.564 -5.326 1.00 0.00 H new ATOM 2191 N ASP B 481 11.007 3.207 -2.760 1.00 0.00 N ATOM 2192 CA ASP B 481 11.981 3.786 -1.841 1.00 0.00 C ATOM 2193 C ASP B 481 12.192 5.276 -2.109 1.00 0.00 C ATOM 2194 O ASP B 481 13.296 5.710 -2.439 1.00 0.00 O ATOM 2195 CB ASP B 481 13.307 3.031 -1.942 1.00 0.00 C ATOM 2196 CG ASP B 481 13.978 3.211 -3.291 1.00 0.00 C ATOM 2197 OD1 ASP B 481 13.585 2.510 -4.247 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.896 4.052 -3.390 1.00 0.00 O ATOM 0 H ASP B 481 10.361 2.552 -2.320 1.00 0.00 H new ATOM 0 HA ASP B 481 11.589 3.688 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP B 481 13.979 3.377 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.131 1.970 -1.766 1.00 0.00 H new ATOM 2203 N ALA B 482 11.123 6.053 -1.964 1.00 0.00 N ATOM 2204 CA ALA B 482 11.187 7.492 -2.188 1.00 0.00 C ATOM 2205 C ALA B 482 11.783 8.209 -0.982 1.00 0.00 C ATOM 2206 O ALA B 482 12.586 9.130 -1.129 1.00 0.00 O ATOM 2207 CB ALA B 482 9.802 8.038 -2.499 1.00 0.00 C ATOM 0 H ALA B 482 10.202 5.709 -1.692 1.00 0.00 H new ATOM 0 HA ALA B 482 11.838 7.674 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA B 482 9.864 9.114 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA B 482 9.413 7.555 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA B 482 9.135 7.837 -1.661 1.00 0.00 H new