USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.6!) USER MOD Set 2.1: A 48 CYS SG : rot 73:sc= -2.69! USER MOD Set 2.2: A 55 MET CE :methyl -145:sc= -0.491 (180deg=-2.32) USER MOD Set 3.1: A 28 SER OG : rot 143:sc= 0.0776 USER MOD Set 3.2: A 51 GLN : amide:sc= -1.28 K(o=-1.2,f=-0.24) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0827 (180deg=-0.0875) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= -0.171 (180deg=-0.761) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0745) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 14 ASN : amide:sc= -2.21 K(o=-2.2,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.15 K(o=1.2,f=-0.12) USER MOD Single : A 17 HIS : no HE2:sc= 0.0223 K(o=0.022,f=-4.1!) USER MOD Single : A 19 ASN : amide:sc= -0.901 K(o=-0.9,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.25) USER MOD Single : A 25 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.46) USER MOD Single : A 31 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0858 (180deg=-0.41) USER MOD Single : A 37 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=-0.034) USER MOD Single : A 38 THR OG1 : rot -110:sc= -3.73! USER MOD Single : A 41 SER OG : rot 150:sc= -0.559 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0502 (180deg=-0.293) USER MOD Single : A 44 MET CE :methyl 169:sc= -1.13 (180deg=-1.65!) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -1.34 (180deg=-2.68!) USER MOD Single : A 47 TYR OH : rot 165:sc= -0.161 USER MOD Single : A 65 GLN : amide:sc= -0.876 X(o=-0.88,f=-0.42) USER MOD Single : A 68 ASN : amide:sc= 1.12 K(o=1.1,f=-0.56) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00717 USER MOD Single : A 75 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.84) USER MOD Single : A 78 MET CE :methyl -147:sc= -1.56! (180deg=-2.55) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.03 K(o=-2,f=-0.34) USER MOD Single : A 89 GLN : amide:sc= 0.129 K(o=0.13,f=-1) USER MOD Single : A 90 GLN : amide:sc= -1.96 K(o=-2,f=-0.15) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.486 20.363 8.953 1.00 0.00 N ATOM 2 CA MET A 1 20.679 20.086 7.741 1.00 0.00 C ATOM 3 C MET A 1 20.525 21.332 6.864 1.00 0.00 C ATOM 4 O MET A 1 19.897 21.282 5.808 1.00 0.00 O ATOM 5 CB MET A 1 19.292 19.537 8.119 1.00 0.00 C ATOM 6 CG MET A 1 18.428 20.506 8.918 1.00 0.00 C ATOM 7 SD MET A 1 16.792 19.840 9.295 1.00 0.00 S ATOM 8 CE MET A 1 16.077 21.208 10.204 1.00 0.00 C ATOM 0 H1 MET A 1 21.442 19.545 9.594 1.00 0.00 H new ATOM 0 H2 MET A 1 22.475 20.536 8.680 1.00 0.00 H new ATOM 0 H3 MET A 1 21.109 21.203 9.437 1.00 0.00 H new ATOM 0 HA MET A 1 21.215 19.331 7.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.762 19.264 7.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.422 18.623 8.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.937 20.756 9.849 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.317 21.434 8.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.062 20.952 10.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.680 21.412 11.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.053 22.094 9.569 1.00 0.00 H new ATOM 18 N ALA A 2 21.115 22.452 7.285 1.00 0.00 N ATOM 19 CA ALA A 2 21.018 23.705 6.529 1.00 0.00 C ATOM 20 C ALA A 2 22.008 23.725 5.372 1.00 0.00 C ATOM 21 O ALA A 2 22.155 24.728 4.670 1.00 0.00 O ATOM 22 CB ALA A 2 21.247 24.897 7.445 1.00 0.00 C ATOM 0 H ALA A 2 21.664 22.519 8.142 1.00 0.00 H new ATOM 0 HA ALA A 2 20.012 23.772 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 2 21.172 25.819 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.494 24.900 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 2 22.239 24.828 7.891 1.00 0.00 H new ATOM 28 N ASP A 3 22.696 22.619 5.181 1.00 0.00 N ATOM 29 CA ASP A 3 23.661 22.483 4.100 1.00 0.00 C ATOM 30 C ASP A 3 22.965 22.166 2.805 1.00 0.00 C ATOM 31 O ASP A 3 23.559 22.265 1.727 1.00 0.00 O ATOM 32 CB ASP A 3 24.697 21.404 4.420 1.00 0.00 C ATOM 33 CG ASP A 3 24.077 20.036 4.625 1.00 0.00 C ATOM 34 OD1 ASP A 3 23.656 19.736 5.760 1.00 0.00 O ATOM 35 OD2 ASP A 3 24.014 19.253 3.656 1.00 0.00 O ATOM 0 H ASP A 3 22.606 21.789 5.767 1.00 0.00 H new ATOM 0 HA ASP A 3 24.180 23.436 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 3 25.422 21.351 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 3 25.245 21.688 5.319 1.00 0.00 H new ATOM 40 N GLU A 4 21.707 21.788 2.887 1.00 0.00 N ATOM 41 CA GLU A 4 20.932 21.518 1.714 1.00 0.00 C ATOM 42 C GLU A 4 19.909 22.611 1.532 1.00 0.00 C ATOM 43 O GLU A 4 19.318 23.079 2.507 1.00 0.00 O ATOM 44 CB GLU A 4 20.226 20.167 1.822 1.00 0.00 C ATOM 45 CG GLU A 4 21.161 18.977 1.848 1.00 0.00 C ATOM 46 CD GLU A 4 20.416 17.667 1.907 1.00 0.00 C ATOM 47 OE1 GLU A 4 19.884 17.229 0.860 1.00 0.00 O ATOM 48 OE2 GLU A 4 20.357 17.060 2.995 1.00 0.00 O ATOM 0 H GLU A 4 21.204 21.662 3.765 1.00 0.00 H new ATOM 0 HA GLU A 4 21.601 21.485 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.620 20.158 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 4 19.542 20.059 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 4 21.792 18.994 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.822 19.056 2.711 1.00 0.00 H new ATOM 55 N LYS A 5 19.734 23.040 0.291 1.00 0.00 N ATOM 56 CA LYS A 5 18.751 24.072 -0.076 1.00 0.00 C ATOM 57 C LYS A 5 19.236 25.466 0.316 1.00 0.00 C ATOM 58 O LYS A 5 20.077 25.617 1.210 1.00 0.00 O ATOM 59 CB LYS A 5 17.362 23.791 0.554 1.00 0.00 C ATOM 60 CG LYS A 5 16.423 22.883 -0.259 1.00 0.00 C ATOM 61 CD LYS A 5 16.963 21.463 -0.426 1.00 0.00 C ATOM 62 CE LYS A 5 17.844 21.337 -1.659 1.00 0.00 C ATOM 63 NZ LYS A 5 17.098 21.631 -2.907 1.00 0.00 N ATOM 0 H LYS A 5 20.269 22.685 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 5 18.644 24.036 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.515 23.338 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.860 24.745 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.451 22.841 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.263 23.323 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.535 21.185 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.130 20.764 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.689 22.020 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.254 20.328 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.546 21.136 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.114 21.308 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.110 22.656 -3.085 1.00 0.00 H new ATOM 77 N PRO A 6 18.732 26.501 -0.367 1.00 0.00 N ATOM 78 CA PRO A 6 19.073 27.884 -0.061 1.00 0.00 C ATOM 79 C PRO A 6 18.281 28.387 1.148 1.00 0.00 C ATOM 80 O PRO A 6 17.776 27.594 1.949 1.00 0.00 O ATOM 81 CB PRO A 6 18.648 28.625 -1.333 1.00 0.00 C ATOM 82 CG PRO A 6 17.515 27.829 -1.874 1.00 0.00 C ATOM 83 CD PRO A 6 17.788 26.399 -1.502 1.00 0.00 C ATOM 0 HA PRO A 6 20.123 28.024 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.343 29.648 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.468 28.684 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.567 28.166 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.442 27.942 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 6 16.874 25.879 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 6 18.222 25.845 -2.334 1.00 0.00 H new ATOM 91 N LYS A 7 18.173 29.696 1.299 1.00 0.00 N ATOM 92 CA LYS A 7 17.397 30.260 2.399 1.00 0.00 C ATOM 93 C LYS A 7 15.898 30.157 2.117 1.00 0.00 C ATOM 94 O LYS A 7 15.065 30.348 3.002 1.00 0.00 O ATOM 95 CB LYS A 7 17.817 31.724 2.686 1.00 0.00 C ATOM 96 CG LYS A 7 17.854 32.653 1.464 1.00 0.00 C ATOM 97 CD LYS A 7 16.464 32.989 0.946 1.00 0.00 C ATOM 98 CE LYS A 7 16.524 33.907 -0.260 1.00 0.00 C ATOM 99 NZ LYS A 7 17.009 35.263 0.092 1.00 0.00 N ATOM 0 H LYS A 7 18.606 30.385 0.683 1.00 0.00 H new ATOM 0 HA LYS A 7 17.609 29.676 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.128 32.144 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.806 31.717 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.373 33.575 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.430 32.180 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.943 32.070 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.885 33.465 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.181 33.472 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.533 33.982 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.906 35.893 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.451 35.636 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.011 35.213 0.366 1.00 0.00 H new ATOM 113 N GLU A 8 15.562 29.845 0.879 1.00 0.00 N ATOM 114 CA GLU A 8 14.184 29.711 0.459 1.00 0.00 C ATOM 115 C GLU A 8 13.849 28.245 0.212 1.00 0.00 C ATOM 116 O GLU A 8 14.718 27.377 0.302 1.00 0.00 O ATOM 117 CB GLU A 8 13.934 30.553 -0.797 1.00 0.00 C ATOM 118 CG GLU A 8 14.854 30.214 -1.953 1.00 0.00 C ATOM 119 CD GLU A 8 14.844 31.265 -3.031 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.886 31.302 -3.830 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.791 32.067 -3.082 1.00 0.00 O ATOM 0 H GLU A 8 16.241 29.677 0.136 1.00 0.00 H new ATOM 0 HA GLU A 8 13.531 30.078 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.900 30.416 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.054 31.607 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.871 30.092 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.555 29.257 -2.381 1.00 0.00 H new ATOM 128 N GLY A 9 12.600 27.968 -0.111 1.00 0.00 N ATOM 129 CA GLY A 9 12.170 26.601 -0.301 1.00 0.00 C ATOM 130 C GLY A 9 11.597 26.037 0.977 1.00 0.00 C ATOM 131 O GLY A 9 11.545 24.822 1.178 1.00 0.00 O ATOM 0 H GLY A 9 11.871 28.669 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.421 26.557 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.013 25.992 -0.627 1.00 0.00 H new ATOM 135 N VAL A 10 11.158 26.930 1.847 1.00 0.00 N ATOM 136 CA VAL A 10 10.610 26.555 3.132 1.00 0.00 C ATOM 137 C VAL A 10 9.075 26.519 3.070 1.00 0.00 C ATOM 138 O VAL A 10 8.443 27.426 2.529 1.00 0.00 O ATOM 139 CB VAL A 10 11.099 27.528 4.247 1.00 0.00 C ATOM 140 CG1 VAL A 10 10.682 28.962 3.958 1.00 0.00 C ATOM 141 CG2 VAL A 10 10.610 27.085 5.616 1.00 0.00 C ATOM 0 H VAL A 10 11.173 27.936 1.679 1.00 0.00 H new ATOM 0 HA VAL A 10 10.966 25.555 3.380 1.00 0.00 H new ATOM 0 HB VAL A 10 12.189 27.496 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.040 29.613 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.112 29.282 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.595 29.021 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.967 27.783 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.520 27.066 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.992 26.087 5.833 1.00 0.00 H new ATOM 151 N LYS A 11 8.490 25.455 3.618 1.00 0.00 N ATOM 152 CA LYS A 11 7.038 25.242 3.596 1.00 0.00 C ATOM 153 C LYS A 11 6.498 25.246 2.176 1.00 0.00 C ATOM 154 O LYS A 11 5.788 26.167 1.752 1.00 0.00 O ATOM 155 CB LYS A 11 6.302 26.262 4.460 1.00 0.00 C ATOM 156 CG LYS A 11 6.166 25.851 5.913 1.00 0.00 C ATOM 157 CD LYS A 11 7.493 25.902 6.634 1.00 0.00 C ATOM 158 CE LYS A 11 7.400 25.234 7.981 1.00 0.00 C ATOM 159 NZ LYS A 11 8.567 25.557 8.844 1.00 0.00 N ATOM 0 H LYS A 11 9.007 24.714 4.091 1.00 0.00 H new ATOM 0 HA LYS A 11 6.855 24.256 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.830 27.214 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.308 26.426 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.455 26.509 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.760 24.841 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.257 25.411 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.804 26.939 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.483 25.548 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.336 24.154 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.464 25.078 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.441 25.235 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.614 26.585 8.994 1.00 0.00 H new ATOM 173 N THR A 12 6.866 24.232 1.434 1.00 0.00 N ATOM 174 CA THR A 12 6.436 24.091 0.056 1.00 0.00 C ATOM 175 C THR A 12 5.066 23.403 -0.031 1.00 0.00 C ATOM 176 O THR A 12 4.599 22.786 0.932 1.00 0.00 O ATOM 177 CB THR A 12 7.488 23.306 -0.779 1.00 0.00 C ATOM 178 OG1 THR A 12 7.051 23.175 -2.140 1.00 0.00 O ATOM 179 CG2 THR A 12 7.735 21.925 -0.185 1.00 0.00 C ATOM 0 H THR A 12 7.471 23.479 1.763 1.00 0.00 H new ATOM 0 HA THR A 12 6.342 25.093 -0.362 1.00 0.00 H new ATOM 0 HB THR A 12 8.421 23.868 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.724 22.681 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.474 21.397 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.105 22.029 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.803 21.360 -0.177 1.00 0.00 H new ATOM 187 N GLU A 13 4.440 23.480 -1.204 1.00 0.00 N ATOM 188 CA GLU A 13 3.116 22.893 -1.433 1.00 0.00 C ATOM 189 C GLU A 13 3.214 21.401 -1.729 1.00 0.00 C ATOM 190 O GLU A 13 2.379 20.826 -2.424 1.00 0.00 O ATOM 191 CB GLU A 13 2.412 23.614 -2.576 1.00 0.00 C ATOM 192 CG GLU A 13 1.917 25.000 -2.210 1.00 0.00 C ATOM 193 CD GLU A 13 0.877 24.963 -1.110 1.00 0.00 C ATOM 194 OE1 GLU A 13 -0.310 24.726 -1.421 1.00 0.00 O ATOM 195 OE2 GLU A 13 1.236 25.170 0.062 1.00 0.00 O ATOM 0 H GLU A 13 4.832 23.948 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 13 2.531 23.015 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.097 23.694 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.566 23.012 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.760 25.613 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.493 25.478 -3.093 1.00 0.00 H new ATOM 202 N ASN A 14 4.240 20.775 -1.197 1.00 0.00 N ATOM 203 CA ASN A 14 4.436 19.342 -1.353 1.00 0.00 C ATOM 204 C ASN A 14 4.099 18.633 -0.056 1.00 0.00 C ATOM 205 O ASN A 14 4.323 17.436 0.093 1.00 0.00 O ATOM 206 CB ASN A 14 5.878 19.012 -1.781 1.00 0.00 C ATOM 207 CG ASN A 14 6.137 19.249 -3.263 1.00 0.00 C ATOM 208 OD1 ASN A 14 6.958 18.570 -3.876 1.00 0.00 O ATOM 209 ND2 ASN A 14 5.442 20.206 -3.847 1.00 0.00 N ATOM 0 H ASN A 14 4.962 21.238 -0.645 1.00 0.00 H new ATOM 0 HA ASN A 14 3.769 18.993 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.570 19.618 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.090 17.969 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.578 20.402 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.769 20.750 -3.307 1.00 0.00 H new ATOM 216 N ASN A 15 3.541 19.382 0.891 1.00 0.00 N ATOM 217 CA ASN A 15 3.148 18.828 2.185 1.00 0.00 C ATOM 218 C ASN A 15 1.766 18.197 2.082 1.00 0.00 C ATOM 219 O ASN A 15 1.260 17.581 3.028 1.00 0.00 O ATOM 220 CB ASN A 15 3.152 19.917 3.273 1.00 0.00 C ATOM 221 CG ASN A 15 2.068 20.970 3.072 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.942 20.814 3.540 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.405 22.055 2.399 1.00 0.00 N ATOM 0 H ASN A 15 3.350 20.378 0.787 1.00 0.00 H new ATOM 0 HA ASN A 15 3.872 18.063 2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.018 19.448 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.126 20.406 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.721 22.798 2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.349 22.150 2.025 1.00 0.00 H new ATOM 230 N ASP A 16 1.168 18.334 0.911 1.00 0.00 N ATOM 231 CA ASP A 16 -0.151 17.795 0.651 1.00 0.00 C ATOM 232 C ASP A 16 -0.078 16.295 0.501 1.00 0.00 C ATOM 233 O ASP A 16 0.379 15.763 -0.522 1.00 0.00 O ATOM 234 CB ASP A 16 -0.774 18.429 -0.584 1.00 0.00 C ATOM 235 CG ASP A 16 -1.262 19.838 -0.325 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.418 19.991 0.137 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.506 20.793 -0.586 1.00 0.00 O ATOM 0 H ASP A 16 1.584 18.821 0.117 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.790 18.033 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.041 18.444 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.608 17.815 -0.923 1.00 0.00 H new ATOM 242 N HIS A 17 -0.502 15.608 1.528 1.00 0.00 N ATOM 243 CA HIS A 17 -0.441 14.172 1.562 1.00 0.00 C ATOM 244 C HIS A 17 -1.820 13.572 1.791 1.00 0.00 C ATOM 245 O HIS A 17 -2.689 14.193 2.400 1.00 0.00 O ATOM 246 CB HIS A 17 0.551 13.714 2.651 1.00 0.00 C ATOM 247 CG HIS A 17 0.172 14.125 4.048 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.360 15.399 4.546 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.401 13.421 5.044 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.086 15.452 5.786 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.553 14.264 6.111 1.00 0.00 N ATOM 0 H HIS A 17 -0.900 16.030 2.367 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.086 13.815 0.595 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.636 12.628 2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.537 14.118 2.421 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.778 16.177 4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.688 12.381 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.071 16.322 6.426 1.00 0.00 H new ATOM 260 N ILE A 18 -2.010 12.364 1.303 1.00 0.00 N ATOM 261 CA ILE A 18 -3.272 11.672 1.446 1.00 0.00 C ATOM 262 C ILE A 18 -3.062 10.252 1.943 1.00 0.00 C ATOM 263 O ILE A 18 -1.945 9.718 1.916 1.00 0.00 O ATOM 264 CB ILE A 18 -4.097 11.625 0.132 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.333 10.908 -0.978 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.508 13.022 -0.308 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.209 10.533 -2.152 1.00 0.00 C ATOM 0 H ILE A 18 -1.297 11.837 0.799 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.839 12.248 2.177 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.004 11.055 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.523 11.549 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.874 10.007 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.084 12.958 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.117 13.484 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.617 13.627 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.608 10.027 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.004 9.868 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.647 11.434 -2.581 1.00 0.00 H new ATOM 279 N ASN A 19 -4.128 9.653 2.413 1.00 0.00 N ATOM 280 CA ASN A 19 -4.104 8.298 2.922 1.00 0.00 C ATOM 281 C ASN A 19 -4.536 7.325 1.849 1.00 0.00 C ATOM 282 O ASN A 19 -5.476 7.580 1.115 1.00 0.00 O ATOM 283 CB ASN A 19 -5.038 8.182 4.135 1.00 0.00 C ATOM 284 CG ASN A 19 -4.936 6.847 4.847 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.621 5.889 4.500 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.095 6.785 5.863 1.00 0.00 N ATOM 0 H ASN A 19 -5.047 10.094 2.455 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.086 8.056 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.807 8.980 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.067 8.334 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.997 5.918 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.544 7.604 6.119 1.00 0.00 H new ATOM 293 N LEU A 20 -3.838 6.222 1.741 1.00 0.00 N ATOM 294 CA LEU A 20 -4.195 5.182 0.796 1.00 0.00 C ATOM 295 C LEU A 20 -4.238 3.857 1.511 1.00 0.00 C ATOM 296 O LEU A 20 -3.405 3.579 2.374 1.00 0.00 O ATOM 297 CB LEU A 20 -3.209 5.110 -0.391 1.00 0.00 C ATOM 298 CG LEU A 20 -3.248 6.271 -1.403 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.673 6.600 -1.806 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.538 7.491 -0.857 1.00 0.00 C ATOM 0 H LEU A 20 -3.010 6.016 2.300 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.176 5.422 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.198 5.045 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.397 4.182 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.718 5.950 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.668 7.423 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.133 5.724 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.243 6.889 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.580 8.296 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.025 7.814 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.497 7.244 -0.649 1.00 0.00 H new ATOM 312 N LYS A 21 -5.211 3.042 1.186 1.00 0.00 N ATOM 313 CA LYS A 21 -5.353 1.755 1.819 1.00 0.00 C ATOM 314 C LYS A 21 -5.391 0.663 0.781 1.00 0.00 C ATOM 315 O LYS A 21 -5.919 0.841 -0.306 1.00 0.00 O ATOM 316 CB LYS A 21 -6.608 1.720 2.687 1.00 0.00 C ATOM 317 CG LYS A 21 -6.606 2.767 3.788 1.00 0.00 C ATOM 318 CD LYS A 21 -7.842 2.664 4.673 1.00 0.00 C ATOM 319 CE LYS A 21 -9.111 2.955 3.892 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.315 3.005 4.764 1.00 0.00 N ATOM 0 H LYS A 21 -5.920 3.249 0.483 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.490 1.587 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.483 1.869 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.704 0.731 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.711 2.649 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.560 3.761 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.900 1.665 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.756 3.365 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.003 3.906 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.249 2.188 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.169 3.071 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.360 2.142 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.259 3.837 5.386 1.00 0.00 H new ATOM 334 N VAL A 22 -4.831 -0.464 1.110 1.00 0.00 N ATOM 335 CA VAL A 22 -4.770 -1.580 0.196 1.00 0.00 C ATOM 336 C VAL A 22 -5.427 -2.808 0.808 1.00 0.00 C ATOM 337 O VAL A 22 -5.159 -3.159 1.948 1.00 0.00 O ATOM 338 CB VAL A 22 -3.305 -1.892 -0.184 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.471 -2.101 1.043 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.224 -3.091 -1.100 1.00 0.00 C ATOM 0 H VAL A 22 -4.402 -0.641 2.018 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.313 -1.309 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.908 -1.032 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.444 -2.319 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.491 -1.199 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.871 -2.937 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.182 -3.287 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.647 -3.961 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.785 -2.890 -2.013 1.00 0.00 H new ATOM 350 N ALA A 23 -6.285 -3.457 0.051 1.00 0.00 N ATOM 351 CA ALA A 23 -6.992 -4.627 0.520 1.00 0.00 C ATOM 352 C ALA A 23 -6.629 -5.834 -0.330 1.00 0.00 C ATOM 353 O ALA A 23 -6.858 -5.858 -1.548 1.00 0.00 O ATOM 354 CB ALA A 23 -8.493 -4.389 0.487 1.00 0.00 C ATOM 0 H ALA A 23 -6.511 -3.188 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.697 -4.823 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.011 -5.280 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.742 -3.544 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.805 -4.173 -0.535 1.00 0.00 H new ATOM 360 N GLY A 24 -6.063 -6.829 0.300 1.00 0.00 N ATOM 361 CA GLY A 24 -5.681 -8.015 -0.398 1.00 0.00 C ATOM 362 C GLY A 24 -6.730 -9.083 -0.283 1.00 0.00 C ATOM 363 O GLY A 24 -7.411 -9.183 0.738 1.00 0.00 O ATOM 0 H GLY A 24 -5.858 -6.836 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.512 -7.781 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.737 -8.386 0.002 1.00 0.00 H new ATOM 367 N GLN A 25 -6.874 -9.883 -1.332 1.00 0.00 N ATOM 368 CA GLN A 25 -7.840 -10.992 -1.367 1.00 0.00 C ATOM 369 C GLN A 25 -7.708 -11.962 -0.170 1.00 0.00 C ATOM 370 O GLN A 25 -8.612 -12.752 0.097 1.00 0.00 O ATOM 371 CB GLN A 25 -7.743 -11.758 -2.701 1.00 0.00 C ATOM 372 CG GLN A 25 -6.341 -11.815 -3.326 1.00 0.00 C ATOM 373 CD GLN A 25 -5.291 -12.428 -2.422 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.112 -13.642 -2.391 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.559 -11.587 -1.715 1.00 0.00 N ATOM 0 H GLN A 25 -6.327 -9.787 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.827 -10.538 -1.284 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.093 -12.778 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.423 -11.296 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.389 -12.389 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.031 -10.805 -3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.739 -10.585 -1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.813 -11.940 -1.115 1.00 0.00 H new ATOM 384 N ASP A 26 -6.582 -11.908 0.545 1.00 0.00 N ATOM 385 CA ASP A 26 -6.375 -12.753 1.726 1.00 0.00 C ATOM 386 C ASP A 26 -7.245 -12.275 2.879 1.00 0.00 C ATOM 387 O ASP A 26 -7.531 -13.023 3.816 1.00 0.00 O ATOM 388 CB ASP A 26 -4.907 -12.728 2.172 1.00 0.00 C ATOM 389 CG ASP A 26 -3.960 -13.324 1.158 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.799 -14.563 1.141 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.353 -12.560 0.382 1.00 0.00 O ATOM 0 H ASP A 26 -5.800 -11.290 0.328 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.649 -13.772 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.613 -11.697 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.811 -13.273 3.111 1.00 0.00 H new ATOM 396 N GLY A 27 -7.661 -11.023 2.814 1.00 0.00 N ATOM 397 CA GLY A 27 -8.473 -10.451 3.861 1.00 0.00 C ATOM 398 C GLY A 27 -7.652 -9.543 4.732 1.00 0.00 C ATOM 399 O GLY A 27 -7.948 -9.346 5.912 1.00 0.00 O ATOM 0 H GLY A 27 -7.448 -10.387 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.300 -9.893 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.910 -11.246 4.465 1.00 0.00 H new ATOM 403 N SER A 28 -6.608 -8.984 4.154 1.00 0.00 N ATOM 404 CA SER A 28 -5.702 -8.117 4.865 1.00 0.00 C ATOM 405 C SER A 28 -5.620 -6.736 4.212 1.00 0.00 C ATOM 406 O SER A 28 -5.482 -6.618 2.994 1.00 0.00 O ATOM 407 CB SER A 28 -4.324 -8.770 4.921 1.00 0.00 C ATOM 408 OG SER A 28 -3.962 -9.309 3.659 1.00 0.00 O ATOM 0 H SER A 28 -6.367 -9.122 3.173 1.00 0.00 H new ATOM 0 HA SER A 28 -6.078 -7.972 5.878 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.582 -8.035 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.323 -9.561 5.671 1.00 0.00 H new ATOM 0 HG SER A 28 -3.001 -9.184 3.513 1.00 0.00 H new ATOM 414 N VAL A 29 -5.737 -5.694 5.018 1.00 0.00 N ATOM 415 CA VAL A 29 -5.652 -4.327 4.521 1.00 0.00 C ATOM 416 C VAL A 29 -4.566 -3.532 5.248 1.00 0.00 C ATOM 417 O VAL A 29 -4.417 -3.624 6.469 1.00 0.00 O ATOM 418 CB VAL A 29 -7.028 -3.598 4.630 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.631 -3.786 6.005 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.907 -2.111 4.300 1.00 0.00 C ATOM 0 H VAL A 29 -5.892 -5.767 6.024 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.379 -4.385 3.467 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.693 -4.050 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.589 -3.269 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.782 -4.849 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.957 -3.376 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.885 -1.638 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.213 -1.639 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.536 -1.993 3.282 1.00 0.00 H new ATOM 430 N VAL A 30 -3.789 -2.756 4.493 1.00 0.00 N ATOM 431 CA VAL A 30 -2.735 -1.936 5.067 1.00 0.00 C ATOM 432 C VAL A 30 -2.989 -0.471 4.734 1.00 0.00 C ATOM 433 O VAL A 30 -3.394 -0.146 3.617 1.00 0.00 O ATOM 434 CB VAL A 30 -1.334 -2.332 4.552 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.255 -1.734 5.442 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.190 -3.843 4.464 1.00 0.00 C ATOM 0 H VAL A 30 -3.874 -2.681 3.479 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.753 -2.096 6.145 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.213 -1.930 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.727 -2.022 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.341 -0.647 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.377 -2.104 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.194 -4.093 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.334 -4.280 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.938 -4.240 3.778 1.00 0.00 H new ATOM 446 N GLN A 31 -2.802 0.414 5.703 1.00 0.00 N ATOM 447 CA GLN A 31 -3.032 1.836 5.484 1.00 0.00 C ATOM 448 C GLN A 31 -1.712 2.607 5.411 1.00 0.00 C ATOM 449 O GLN A 31 -0.753 2.289 6.116 1.00 0.00 O ATOM 450 CB GLN A 31 -3.924 2.428 6.588 1.00 0.00 C ATOM 451 CG GLN A 31 -5.259 1.707 6.799 1.00 0.00 C ATOM 452 CD GLN A 31 -5.175 0.547 7.781 1.00 0.00 C ATOM 453 OE1 GLN A 31 -5.300 0.734 8.987 1.00 0.00 O ATOM 454 NE2 GLN A 31 -5.002 -0.654 7.269 1.00 0.00 N ATOM 0 H GLN A 31 -2.493 0.174 6.645 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.545 1.938 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.370 2.417 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.126 3.472 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.997 2.424 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.617 1.335 5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.902 -0.769 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.968 -1.469 7.881 1.00 0.00 H new ATOM 463 N PHE A 32 -1.666 3.629 4.552 1.00 0.00 N ATOM 464 CA PHE A 32 -0.452 4.430 4.367 1.00 0.00 C ATOM 465 C PHE A 32 -0.792 5.905 4.201 1.00 0.00 C ATOM 466 O PHE A 32 -1.911 6.266 3.835 1.00 0.00 O ATOM 467 CB PHE A 32 0.309 3.992 3.111 1.00 0.00 C ATOM 468 CG PHE A 32 0.447 2.513 2.937 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.572 1.782 2.359 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.599 1.853 3.335 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.454 0.431 2.181 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.722 0.490 3.159 1.00 0.00 C ATOM 473 CZ PHE A 32 0.689 -0.222 2.578 1.00 0.00 C ATOM 0 H PHE A 32 -2.454 3.921 3.974 1.00 0.00 H new ATOM 0 HA PHE A 32 0.162 4.279 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.199 4.399 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.305 4.434 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.475 2.284 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.407 2.410 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.261 -0.125 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.621 -0.018 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.780 -1.289 2.436 1.00 0.00 H new HETATM 483 OH ALY A 33 -3.339 13.524 6.546 1.00 0.00 O HETATM 484 CH ALY A 33 -4.215 12.868 5.967 1.00 0.00 C HETATM 485 CH3 ALY A 33 -5.588 13.419 5.738 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.986 11.658 5.489 1.00 0.00 N HETATM 487 CE ALY A 33 -3.266 10.628 6.226 1.00 0.00 C HETATM 488 CD ALY A 33 -2.156 10.021 5.400 1.00 0.00 C HETATM 489 CG ALY A 33 -1.276 9.097 6.226 1.00 0.00 C HETATM 490 CB ALY A 33 0.087 8.931 5.583 1.00 0.00 C HETATM 491 CA ALY A 33 0.066 8.184 4.250 1.00 0.00 C HETATM 492 N ALY A 33 0.186 6.751 4.459 1.00 0.00 N HETATM 493 C ALY A 33 1.210 8.660 3.369 1.00 0.00 C HETATM 494 O ALY A 33 2.373 8.619 3.772 1.00 0.00 O HETATM 0 HH33 ALY A 33 -6.050 13.654 6.697 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -5.521 14.325 5.136 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -6.194 12.680 5.215 1.00 0.00 H new HETATM 0 HZ ALY A 33 -4.331 11.433 4.556 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.756 8.124 6.326 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -1.161 9.501 7.232 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -3.961 9.846 6.532 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -2.849 11.057 7.137 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -1.546 10.816 4.971 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.586 9.465 4.567 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.886 8.391 3.760 1.00 0.00 H new HETATM 0 HB3 ALY A 33 0.740 8.398 6.275 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.525 9.917 5.427 1.00 0.00 H new ATOM 509 N ILE A 34 0.896 9.106 2.168 1.00 0.00 N ATOM 510 CA ILE A 34 1.926 9.535 1.222 1.00 0.00 C ATOM 511 C ILE A 34 1.510 10.820 0.533 1.00 0.00 C ATOM 512 O ILE A 34 0.361 11.239 0.625 1.00 0.00 O ATOM 513 CB ILE A 34 2.214 8.455 0.138 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.003 8.276 -0.780 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.585 7.128 0.788 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.248 7.334 -1.943 1.00 0.00 C ATOM 0 H ILE A 34 -0.059 9.183 1.818 1.00 0.00 H new ATOM 0 HA ILE A 34 2.836 9.695 1.800 1.00 0.00 H new ATOM 0 HB ILE A 34 3.057 8.794 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.166 7.901 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.708 9.250 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.782 6.386 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.477 7.260 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.761 6.787 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.344 7.259 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.064 7.717 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.513 6.347 -1.563 1.00 0.00 H new ATOM 528 N LYS A 35 2.436 11.453 -0.159 1.00 0.00 N ATOM 529 CA LYS A 35 2.142 12.683 -0.862 1.00 0.00 C ATOM 530 C LYS A 35 1.440 12.402 -2.171 1.00 0.00 C ATOM 531 O LYS A 35 1.634 11.356 -2.785 1.00 0.00 O ATOM 532 CB LYS A 35 3.416 13.508 -1.116 1.00 0.00 C ATOM 533 CG LYS A 35 3.958 14.226 0.113 1.00 0.00 C ATOM 534 CD LYS A 35 4.470 13.262 1.170 1.00 0.00 C ATOM 535 CE LYS A 35 5.772 12.583 0.750 1.00 0.00 C ATOM 536 NZ LYS A 35 6.863 13.559 0.502 1.00 0.00 N ATOM 0 H LYS A 35 3.401 11.134 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 35 1.479 13.268 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.190 12.847 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.207 14.246 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.765 14.894 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.173 14.848 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.628 13.801 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.712 12.503 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.082 11.885 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.599 11.998 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.779 13.068 0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.727 14.002 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.848 14.292 1.240 1.00 0.00 H new ATOM 550 N ARG A 36 0.635 13.348 -2.607 1.00 0.00 N ATOM 551 CA ARG A 36 -0.101 13.236 -3.858 1.00 0.00 C ATOM 552 C ARG A 36 0.853 13.251 -5.049 1.00 0.00 C ATOM 553 O ARG A 36 0.509 12.830 -6.148 1.00 0.00 O ATOM 554 CB ARG A 36 -1.075 14.396 -3.980 1.00 0.00 C ATOM 555 CG ARG A 36 -0.402 15.749 -3.852 1.00 0.00 C ATOM 556 CD ARG A 36 -1.249 16.833 -4.446 1.00 0.00 C ATOM 557 NE ARG A 36 -0.578 18.136 -4.401 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.110 19.253 -3.878 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.343 19.243 -3.377 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.402 20.382 -3.860 1.00 0.00 N ATOM 0 H ARG A 36 0.469 14.221 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.645 12.292 -3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.582 14.338 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.841 14.303 -3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.213 15.966 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.566 15.725 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.487 16.583 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.194 16.892 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 36 0.361 18.199 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.891 18.383 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.740 20.095 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.543 20.397 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.805 21.231 -3.463 1.00 0.00 H new ATOM 574 N HIS A 37 2.065 13.719 -4.814 1.00 0.00 N ATOM 575 CA HIS A 37 3.064 13.841 -5.864 1.00 0.00 C ATOM 576 C HIS A 37 4.063 12.698 -5.730 1.00 0.00 C ATOM 577 O HIS A 37 4.970 12.520 -6.545 1.00 0.00 O ATOM 578 CB HIS A 37 3.762 15.203 -5.731 1.00 0.00 C ATOM 579 CG HIS A 37 4.730 15.537 -6.837 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.341 16.125 -8.022 1.00 0.00 N ATOM 581 CD2 HIS A 37 6.073 15.375 -6.928 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.398 16.305 -8.790 1.00 0.00 C ATOM 583 NE2 HIS A 37 6.462 15.861 -8.152 1.00 0.00 N ATOM 0 H HIS A 37 2.385 14.024 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 37 2.599 13.783 -6.848 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.000 15.981 -5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.297 15.228 -4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.718 14.943 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.392 16.743 -9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.417 15.876 -8.509 1.00 0.00 H new ATOM 592 N THR A 38 3.864 11.923 -4.698 1.00 0.00 N ATOM 593 CA THR A 38 4.703 10.806 -4.371 1.00 0.00 C ATOM 594 C THR A 38 4.188 9.534 -5.047 1.00 0.00 C ATOM 595 O THR A 38 2.990 9.279 -5.058 1.00 0.00 O ATOM 596 CB THR A 38 4.717 10.636 -2.838 1.00 0.00 C ATOM 597 OG1 THR A 38 5.614 11.584 -2.252 1.00 0.00 O ATOM 598 CG2 THR A 38 5.083 9.226 -2.408 1.00 0.00 C ATOM 0 H THR A 38 3.092 12.056 -4.045 1.00 0.00 H new ATOM 0 HA THR A 38 5.716 10.987 -4.731 1.00 0.00 H new ATOM 0 HB THR A 38 3.703 10.820 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.399 11.116 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.077 9.164 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.358 8.522 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.077 8.979 -2.780 1.00 0.00 H new ATOM 606 N PRO A 39 5.089 8.730 -5.633 1.00 0.00 N ATOM 607 CA PRO A 39 4.712 7.490 -6.306 1.00 0.00 C ATOM 608 C PRO A 39 4.098 6.477 -5.338 1.00 0.00 C ATOM 609 O PRO A 39 4.699 6.121 -4.314 1.00 0.00 O ATOM 610 CB PRO A 39 6.038 6.959 -6.873 1.00 0.00 C ATOM 611 CG PRO A 39 7.095 7.621 -6.057 1.00 0.00 C ATOM 612 CD PRO A 39 6.546 8.966 -5.684 1.00 0.00 C ATOM 0 HA PRO A 39 3.953 7.657 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.097 5.874 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.143 7.205 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.327 7.034 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.021 7.721 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.933 9.307 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.806 9.726 -6.421 1.00 0.00 H new ATOM 620 N LEU A 40 2.898 6.008 -5.663 1.00 0.00 N ATOM 621 CA LEU A 40 2.190 5.020 -4.843 1.00 0.00 C ATOM 622 C LEU A 40 2.964 3.706 -4.766 1.00 0.00 C ATOM 623 O LEU A 40 2.714 2.862 -3.903 1.00 0.00 O ATOM 624 CB LEU A 40 0.750 4.800 -5.359 1.00 0.00 C ATOM 625 CG LEU A 40 0.565 4.698 -6.885 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.215 3.444 -7.445 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.910 4.733 -7.240 1.00 0.00 C ATOM 0 H LEU A 40 2.387 6.298 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 40 2.120 5.416 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.364 3.886 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.130 5.620 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 40 1.060 5.557 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.064 3.407 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.283 3.460 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.765 2.564 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.026 4.660 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.419 3.895 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.346 5.669 -6.891 1.00 0.00 H new ATOM 639 N SER A 41 3.899 3.541 -5.690 1.00 0.00 N ATOM 640 CA SER A 41 4.754 2.372 -5.783 1.00 0.00 C ATOM 641 C SER A 41 5.424 2.064 -4.444 1.00 0.00 C ATOM 642 O SER A 41 5.717 0.906 -4.129 1.00 0.00 O ATOM 643 CB SER A 41 5.808 2.652 -6.832 1.00 0.00 C ATOM 644 OG SER A 41 5.306 3.591 -7.774 1.00 0.00 O ATOM 0 H SER A 41 4.087 4.235 -6.413 1.00 0.00 H new ATOM 0 HA SER A 41 4.154 1.504 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.710 3.042 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.087 1.728 -7.338 1.00 0.00 H new ATOM 0 HG SER A 41 6.047 4.123 -8.132 1.00 0.00 H new ATOM 650 N LYS A 42 5.656 3.103 -3.650 1.00 0.00 N ATOM 651 CA LYS A 42 6.283 2.951 -2.354 1.00 0.00 C ATOM 652 C LYS A 42 5.415 2.098 -1.434 1.00 0.00 C ATOM 653 O LYS A 42 5.892 1.137 -0.829 1.00 0.00 O ATOM 654 CB LYS A 42 6.557 4.321 -1.728 1.00 0.00 C ATOM 655 CG LYS A 42 7.429 5.220 -2.598 1.00 0.00 C ATOM 656 CD LYS A 42 7.752 6.542 -1.914 1.00 0.00 C ATOM 657 CE LYS A 42 8.647 6.350 -0.695 1.00 0.00 C ATOM 658 NZ LYS A 42 9.953 5.727 -1.046 1.00 0.00 N ATOM 0 H LYS A 42 5.415 4.065 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 42 7.236 2.440 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.608 4.822 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.043 4.181 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.357 4.701 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.919 5.416 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.244 7.207 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.825 7.029 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.823 7.315 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.133 5.725 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.618 5.845 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.815 4.713 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.340 6.186 -1.895 1.00 0.00 H new ATOM 672 N LEU A 43 4.123 2.427 -1.350 1.00 0.00 N ATOM 673 CA LEU A 43 3.208 1.669 -0.506 1.00 0.00 C ATOM 674 C LEU A 43 2.996 0.282 -1.083 1.00 0.00 C ATOM 675 O LEU A 43 2.848 -0.691 -0.350 1.00 0.00 O ATOM 676 CB LEU A 43 1.853 2.408 -0.317 1.00 0.00 C ATOM 677 CG LEU A 43 0.816 2.302 -1.458 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.009 1.003 -1.361 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.120 3.489 -1.432 1.00 0.00 C ATOM 0 H LEU A 43 3.695 3.205 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 43 3.660 1.573 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.389 2.032 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.066 3.464 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 43 1.363 2.295 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.711 0.960 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.684 0.150 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.521 0.974 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.844 3.399 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.645 3.517 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.453 4.407 -1.558 1.00 0.00 H new ATOM 691 N MET A 44 2.991 0.186 -2.414 1.00 0.00 N ATOM 692 CA MET A 44 2.793 -1.090 -3.075 1.00 0.00 C ATOM 693 C MET A 44 3.898 -2.057 -2.701 1.00 0.00 C ATOM 694 O MET A 44 3.643 -3.219 -2.372 1.00 0.00 O ATOM 695 CB MET A 44 2.707 -0.937 -4.599 1.00 0.00 C ATOM 696 CG MET A 44 1.528 -0.104 -5.076 1.00 0.00 C ATOM 697 SD MET A 44 1.108 -0.413 -6.807 1.00 0.00 S ATOM 698 CE MET A 44 2.650 -0.019 -7.627 1.00 0.00 C ATOM 0 H MET A 44 3.122 0.976 -3.046 1.00 0.00 H new ATOM 0 HA MET A 44 1.839 -1.492 -2.732 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.629 -0.481 -4.960 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.644 -1.928 -5.049 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.661 -0.319 -4.452 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.759 0.953 -4.946 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.604 -0.347 -8.666 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.815 1.058 -7.593 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.471 -0.528 -7.122 1.00 0.00 H new ATOM 708 N LYS A 45 5.139 -1.588 -2.739 1.00 0.00 N ATOM 709 CA LYS A 45 6.249 -2.425 -2.353 1.00 0.00 C ATOM 710 C LYS A 45 6.223 -2.691 -0.872 1.00 0.00 C ATOM 711 O LYS A 45 6.441 -3.806 -0.450 1.00 0.00 O ATOM 712 CB LYS A 45 7.594 -1.831 -2.760 1.00 0.00 C ATOM 713 CG LYS A 45 7.815 -1.804 -4.260 1.00 0.00 C ATOM 714 CD LYS A 45 9.293 -1.700 -4.626 1.00 0.00 C ATOM 715 CE LYS A 45 10.024 -3.056 -4.534 1.00 0.00 C ATOM 716 NZ LYS A 45 10.277 -3.501 -3.129 1.00 0.00 N ATOM 0 H LYS A 45 5.392 -0.644 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 45 6.136 -3.368 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.666 -0.815 -2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.393 -2.407 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.396 -2.707 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.276 -0.959 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.386 -1.309 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.778 -0.984 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.432 -3.815 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.975 -2.984 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.104 -4.131 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.458 -2.671 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.444 -4.011 -2.771 1.00 0.00 H new ATOM 730 N ALA A 46 5.894 -1.669 -0.079 1.00 0.00 N ATOM 731 CA ALA A 46 5.853 -1.809 1.376 1.00 0.00 C ATOM 732 C ALA A 46 4.868 -2.898 1.761 1.00 0.00 C ATOM 733 O ALA A 46 5.115 -3.698 2.666 1.00 0.00 O ATOM 734 CB ALA A 46 5.474 -0.488 2.029 1.00 0.00 C ATOM 0 H ALA A 46 5.653 -0.738 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 46 6.844 -2.090 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.448 -0.611 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.211 0.272 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.491 -0.177 1.676 1.00 0.00 H new ATOM 740 N TYR A 47 3.744 -2.926 1.055 1.00 0.00 N ATOM 741 CA TYR A 47 2.737 -3.943 1.246 1.00 0.00 C ATOM 742 C TYR A 47 3.343 -5.329 1.048 1.00 0.00 C ATOM 743 O TYR A 47 3.280 -6.174 1.929 1.00 0.00 O ATOM 744 CB TYR A 47 1.581 -3.727 0.266 1.00 0.00 C ATOM 745 CG TYR A 47 0.514 -4.800 0.319 1.00 0.00 C ATOM 746 CD1 TYR A 47 0.606 -5.935 -0.474 1.00 0.00 C ATOM 747 CD2 TYR A 47 -0.584 -4.670 1.146 1.00 0.00 C ATOM 748 CE1 TYR A 47 -0.367 -6.911 -0.442 1.00 0.00 C ATOM 749 CE2 TYR A 47 -1.567 -5.636 1.191 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.455 -6.759 0.393 1.00 0.00 C ATOM 751 OH TYR A 47 -2.431 -7.731 0.431 1.00 0.00 O ATOM 0 H TYR A 47 3.512 -2.241 0.336 1.00 0.00 H new ATOM 0 HA TYR A 47 2.354 -3.872 2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.120 -2.761 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.982 -3.679 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.456 -6.056 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.675 -3.794 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.278 -7.788 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.418 -5.516 1.845 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.992 -7.600 1.224 1.00 0.00 H new ATOM 761 N CYS A 48 3.951 -5.547 -0.107 1.00 0.00 N ATOM 762 CA CYS A 48 4.557 -6.834 -0.428 1.00 0.00 C ATOM 763 C CYS A 48 5.673 -7.171 0.568 1.00 0.00 C ATOM 764 O CYS A 48 5.800 -8.314 1.013 1.00 0.00 O ATOM 765 CB CYS A 48 5.089 -6.826 -1.872 1.00 0.00 C ATOM 766 SG CYS A 48 3.910 -6.201 -3.082 1.00 0.00 S ATOM 0 H CYS A 48 4.039 -4.846 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 48 3.794 -7.608 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.993 -6.218 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.375 -7.841 -2.149 1.00 0.00 H new ATOM 0 HG CYS A 48 3.791 -4.913 -2.947 1.00 0.00 H new ATOM 772 N GLU A 49 6.459 -6.158 0.941 1.00 0.00 N ATOM 773 CA GLU A 49 7.548 -6.323 1.899 1.00 0.00 C ATOM 774 C GLU A 49 7.028 -6.847 3.239 1.00 0.00 C ATOM 775 O GLU A 49 7.541 -7.824 3.786 1.00 0.00 O ATOM 776 CB GLU A 49 8.255 -4.985 2.137 1.00 0.00 C ATOM 777 CG GLU A 49 8.911 -4.376 0.909 1.00 0.00 C ATOM 778 CD GLU A 49 10.056 -5.191 0.368 1.00 0.00 C ATOM 779 OE1 GLU A 49 10.989 -5.495 1.141 1.00 0.00 O ATOM 780 OE2 GLU A 49 10.056 -5.491 -0.840 1.00 0.00 O ATOM 0 H GLU A 49 6.357 -5.206 0.588 1.00 0.00 H new ATOM 0 HA GLU A 49 8.248 -7.045 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.530 -4.274 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.016 -5.125 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.160 -4.257 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.272 -3.378 1.158 1.00 0.00 H new ATOM 787 N ARG A 50 5.989 -6.201 3.764 1.00 0.00 N ATOM 788 CA ARG A 50 5.458 -6.556 5.075 1.00 0.00 C ATOM 789 C ARG A 50 4.596 -7.817 5.016 1.00 0.00 C ATOM 790 O ARG A 50 4.611 -8.630 5.934 1.00 0.00 O ATOM 791 CB ARG A 50 4.649 -5.387 5.671 1.00 0.00 C ATOM 792 CG ARG A 50 3.358 -5.079 4.924 1.00 0.00 C ATOM 793 CD ARG A 50 2.614 -3.905 5.533 1.00 0.00 C ATOM 794 NE ARG A 50 2.242 -4.143 6.932 1.00 0.00 N ATOM 795 CZ ARG A 50 2.337 -3.228 7.903 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.864 -2.034 7.648 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.914 -3.515 9.131 1.00 0.00 N ATOM 0 H ARG A 50 5.501 -5.433 3.303 1.00 0.00 H new ATOM 0 HA ARG A 50 6.310 -6.764 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.409 -5.617 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.274 -4.494 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.586 -4.861 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.715 -5.959 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.237 -3.013 5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.715 -3.706 4.950 1.00 0.00 H new ATOM 0 HE ARG A 50 1.888 -5.067 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.197 -1.814 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.935 -1.339 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.517 -4.433 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.986 -2.817 9.871 1.00 0.00 H new ATOM 811 N GLN A 51 3.842 -7.980 3.939 1.00 0.00 N ATOM 812 CA GLN A 51 2.941 -9.117 3.800 1.00 0.00 C ATOM 813 C GLN A 51 3.662 -10.394 3.457 1.00 0.00 C ATOM 814 O GLN A 51 3.164 -11.485 3.722 1.00 0.00 O ATOM 815 CB GLN A 51 1.877 -8.830 2.753 1.00 0.00 C ATOM 816 CG GLN A 51 0.967 -7.698 3.129 1.00 0.00 C ATOM 817 CD GLN A 51 0.132 -8.007 4.361 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.998 -8.482 4.261 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.698 -7.771 5.531 1.00 0.00 N ATOM 0 H GLN A 51 3.836 -7.338 3.146 1.00 0.00 H new ATOM 0 HA GLN A 51 2.471 -9.260 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.363 -8.598 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.281 -9.729 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.562 -6.803 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.305 -7.475 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.638 -7.376 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.196 -7.984 6.393 1.00 0.00 H new ATOM 828 N GLY A 52 4.840 -10.284 2.903 1.00 0.00 N ATOM 829 CA GLY A 52 5.537 -11.463 2.488 1.00 0.00 C ATOM 830 C GLY A 52 5.105 -11.881 1.106 1.00 0.00 C ATOM 831 O GLY A 52 4.897 -13.062 0.828 1.00 0.00 O ATOM 0 H GLY A 52 5.327 -9.404 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.611 -11.278 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.346 -12.271 3.194 1.00 0.00 H new ATOM 835 N LEU A 53 4.969 -10.904 0.228 1.00 0.00 N ATOM 836 CA LEU A 53 4.558 -11.148 -1.136 1.00 0.00 C ATOM 837 C LEU A 53 5.569 -10.560 -2.099 1.00 0.00 C ATOM 838 O LEU A 53 6.402 -9.740 -1.723 1.00 0.00 O ATOM 839 CB LEU A 53 3.179 -10.554 -1.420 1.00 0.00 C ATOM 840 CG LEU A 53 1.967 -11.378 -0.980 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.007 -12.778 -1.571 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.848 -11.433 0.524 1.00 0.00 C ATOM 0 H LEU A 53 5.141 -9.922 0.443 1.00 0.00 H new ATOM 0 HA LEU A 53 4.502 -12.228 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.122 -9.580 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.099 -10.379 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 53 1.079 -10.875 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.133 -13.338 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.006 -12.714 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.911 -13.288 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.976 -12.027 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.744 -11.890 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.738 -10.423 0.917 1.00 0.00 H new ATOM 854 N SER A 54 5.500 -10.975 -3.339 1.00 0.00 N ATOM 855 CA SER A 54 6.391 -10.477 -4.360 1.00 0.00 C ATOM 856 C SER A 54 5.589 -9.750 -5.425 1.00 0.00 C ATOM 857 O SER A 54 4.412 -10.049 -5.627 1.00 0.00 O ATOM 858 CB SER A 54 7.142 -11.640 -4.990 1.00 0.00 C ATOM 859 OG SER A 54 7.753 -12.442 -4.001 1.00 0.00 O ATOM 0 H SER A 54 4.827 -11.666 -3.670 1.00 0.00 H new ATOM 0 HA SER A 54 7.105 -9.786 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.454 -12.245 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.900 -11.260 -5.675 1.00 0.00 H new ATOM 0 HG SER A 54 8.228 -13.184 -4.429 1.00 0.00 H new ATOM 865 N MET A 55 6.217 -8.810 -6.123 1.00 0.00 N ATOM 866 CA MET A 55 5.537 -8.070 -7.183 1.00 0.00 C ATOM 867 C MET A 55 5.127 -8.997 -8.324 1.00 0.00 C ATOM 868 O MET A 55 4.204 -8.715 -9.070 1.00 0.00 O ATOM 869 CB MET A 55 6.414 -6.946 -7.716 1.00 0.00 C ATOM 870 CG MET A 55 6.374 -5.713 -6.853 1.00 0.00 C ATOM 871 SD MET A 55 4.729 -4.989 -6.804 1.00 0.00 S ATOM 872 CE MET A 55 4.912 -3.873 -5.439 1.00 0.00 C ATOM 0 H MET A 55 7.190 -8.543 -5.976 1.00 0.00 H new ATOM 0 HA MET A 55 4.637 -7.633 -6.750 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.443 -7.298 -7.790 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.092 -6.688 -8.725 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.690 -5.967 -5.841 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.084 -4.979 -7.234 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.975 -3.820 -4.884 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.704 -4.230 -4.781 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.169 -2.882 -5.812 1.00 0.00 H new ATOM 882 N ARG A 56 5.844 -10.099 -8.466 1.00 0.00 N ATOM 883 CA ARG A 56 5.531 -11.102 -9.483 1.00 0.00 C ATOM 884 C ARG A 56 4.469 -12.072 -8.977 1.00 0.00 C ATOM 885 O ARG A 56 3.826 -12.776 -9.749 1.00 0.00 O ATOM 886 CB ARG A 56 6.790 -11.878 -9.891 1.00 0.00 C ATOM 887 CG ARG A 56 7.598 -12.411 -8.724 1.00 0.00 C ATOM 888 CD ARG A 56 8.858 -11.595 -8.507 1.00 0.00 C ATOM 889 NE ARG A 56 9.832 -11.821 -9.565 1.00 0.00 N ATOM 890 CZ ARG A 56 11.071 -11.335 -9.570 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.476 -10.511 -8.610 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.898 -11.662 -10.545 1.00 0.00 N ATOM 0 H ARG A 56 6.653 -10.327 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 56 5.143 -10.579 -10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.498 -12.713 -10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.426 -11.227 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.990 -12.392 -7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.864 -13.452 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.604 -10.536 -8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.299 -11.854 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 56 9.544 -12.393 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.836 -10.246 -7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.427 -10.143 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.587 -12.285 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.848 -11.292 -10.553 1.00 0.00 H new ATOM 906 N GLN A 57 4.291 -12.097 -7.667 1.00 0.00 N ATOM 907 CA GLN A 57 3.344 -13.000 -7.024 1.00 0.00 C ATOM 908 C GLN A 57 1.974 -12.380 -6.927 1.00 0.00 C ATOM 909 O GLN A 57 0.968 -13.077 -6.843 1.00 0.00 O ATOM 910 CB GLN A 57 3.843 -13.369 -5.629 1.00 0.00 C ATOM 911 CG GLN A 57 4.503 -14.732 -5.541 1.00 0.00 C ATOM 912 CD GLN A 57 5.422 -15.012 -6.705 1.00 0.00 C ATOM 913 OE1 GLN A 57 5.025 -15.624 -7.689 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.626 -14.522 -6.624 1.00 0.00 N ATOM 0 H GLN A 57 4.797 -11.494 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 57 3.267 -13.899 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.554 -12.612 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.002 -13.340 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.070 -14.797 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.733 -15.502 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.916 -14.019 -5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.278 -14.642 -7.399 1.00 0.00 H new ATOM 923 N ILE A 58 1.927 -11.070 -6.909 1.00 0.00 N ATOM 924 CA ILE A 58 0.655 -10.359 -6.800 1.00 0.00 C ATOM 925 C ILE A 58 0.591 -9.190 -7.766 1.00 0.00 C ATOM 926 O ILE A 58 1.510 -8.958 -8.534 1.00 0.00 O ATOM 927 CB ILE A 58 0.411 -9.826 -5.362 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.368 -8.667 -5.044 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.570 -10.943 -4.348 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.237 -8.131 -3.635 1.00 0.00 C ATOM 0 H ILE A 58 2.747 -10.467 -6.968 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.121 -11.083 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.611 -9.451 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.393 -9.002 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.187 -7.856 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.396 -10.552 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.151 -11.732 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.580 -11.348 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.945 -7.316 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.223 -7.763 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.448 -8.928 -2.922 1.00 0.00 H new ATOM 942 N ARG A 59 -0.506 -8.458 -7.715 1.00 0.00 N ATOM 943 CA ARG A 59 -0.703 -7.267 -8.531 1.00 0.00 C ATOM 944 C ARG A 59 -1.740 -6.365 -7.908 1.00 0.00 C ATOM 945 O ARG A 59 -2.689 -6.830 -7.269 1.00 0.00 O ATOM 946 CB ARG A 59 -1.088 -7.599 -9.981 1.00 0.00 C ATOM 947 CG ARG A 59 0.102 -7.779 -10.924 1.00 0.00 C ATOM 948 CD ARG A 59 0.995 -6.541 -10.943 1.00 0.00 C ATOM 949 NE ARG A 59 2.051 -6.640 -11.952 1.00 0.00 N ATOM 950 CZ ARG A 59 3.078 -5.790 -12.067 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.201 -4.766 -11.221 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.981 -5.967 -13.022 1.00 0.00 N ATOM 0 H ARG A 59 -1.293 -8.672 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 59 0.254 -6.747 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.682 -8.513 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.725 -6.803 -10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.686 -8.645 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.259 -7.984 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.387 -5.659 -11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.445 -6.404 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 59 2.000 -7.413 -12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.511 -4.629 -10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.985 -4.120 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.893 -6.751 -13.669 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.764 -5.319 -13.110 1.00 0.00 H new ATOM 966 N PHE A 60 -1.554 -5.078 -8.088 1.00 0.00 N ATOM 967 CA PHE A 60 -2.434 -4.077 -7.531 1.00 0.00 C ATOM 968 C PHE A 60 -3.360 -3.534 -8.610 1.00 0.00 C ATOM 969 O PHE A 60 -2.977 -3.427 -9.778 1.00 0.00 O ATOM 970 CB PHE A 60 -1.607 -2.934 -6.922 1.00 0.00 C ATOM 971 CG PHE A 60 -0.721 -3.360 -5.776 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.392 -4.158 -5.994 1.00 0.00 C ATOM 973 CD2 PHE A 60 -1.007 -2.963 -4.484 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.195 -4.553 -4.946 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.206 -3.351 -3.430 1.00 0.00 C ATOM 976 CZ PHE A 60 0.895 -4.148 -3.660 1.00 0.00 C ATOM 0 H PHE A 60 -0.781 -4.693 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.039 -4.534 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.987 -2.492 -7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.285 -2.155 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.633 -4.474 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.869 -2.340 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.057 -5.178 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.441 -3.031 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.522 -4.455 -2.836 1.00 0.00 H new ATOM 986 N ARG A 61 -4.571 -3.193 -8.226 1.00 0.00 N ATOM 987 CA ARG A 61 -5.549 -2.673 -9.155 1.00 0.00 C ATOM 988 C ARG A 61 -6.409 -1.601 -8.509 1.00 0.00 C ATOM 989 O ARG A 61 -6.766 -1.683 -7.331 1.00 0.00 O ATOM 990 CB ARG A 61 -6.417 -3.804 -9.727 1.00 0.00 C ATOM 991 CG ARG A 61 -7.582 -3.326 -10.580 1.00 0.00 C ATOM 992 CD ARG A 61 -8.892 -3.401 -9.821 1.00 0.00 C ATOM 993 NE ARG A 61 -9.403 -4.762 -9.776 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.304 -5.213 -8.907 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.840 -4.398 -8.007 1.00 0.00 N ATOM 996 NH2 ARG A 61 -10.677 -6.481 -8.943 1.00 0.00 N ATOM 0 H ARG A 61 -4.904 -3.268 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.009 -2.210 -9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.788 -4.462 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.806 -4.401 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.403 -2.299 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.647 -3.934 -11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.748 -3.031 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.627 -2.751 -10.295 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.042 -5.422 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.562 -3.417 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.530 -4.753 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.274 -7.112 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.368 -6.829 -8.278 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.731 -0.590 -9.287 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.557 0.507 -8.852 1.00 0.00 C ATOM 1012 C PHE A 62 -8.338 1.015 -10.040 1.00 0.00 C ATOM 1013 O PHE A 62 -7.863 0.944 -11.157 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.693 1.619 -8.257 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.464 2.770 -7.674 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.888 2.732 -6.359 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.752 3.891 -8.436 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.583 3.791 -5.814 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.449 4.951 -7.897 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.863 4.902 -6.586 1.00 0.00 C ATOM 0 H PHE A 62 -6.419 -0.509 -10.255 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.246 0.172 -8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.060 1.192 -7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.030 2.000 -9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.673 1.865 -5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.426 3.935 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.908 3.752 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.670 5.818 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.407 5.732 -6.160 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.542 1.510 -9.800 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.438 2.003 -10.876 1.00 0.00 C ATOM 1032 C ASP A 63 -10.712 0.910 -11.901 1.00 0.00 C ATOM 1033 O ASP A 63 -11.085 1.174 -13.041 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.772 3.178 -11.581 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.730 4.001 -12.423 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.624 4.653 -11.848 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.581 4.012 -13.664 1.00 0.00 O ATOM 0 H ASP A 63 -9.940 1.588 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.382 2.308 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.309 3.824 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.971 2.803 -12.218 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.551 -0.315 -11.488 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.762 -1.414 -12.378 1.00 0.00 C ATOM 1044 C GLY A 64 -9.615 -1.600 -13.361 1.00 0.00 C ATOM 1045 O GLY A 64 -9.729 -2.354 -14.325 1.00 0.00 O ATOM 0 H GLY A 64 -10.275 -0.575 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.890 -2.328 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.688 -1.256 -12.931 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.499 -0.911 -13.126 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.324 -1.029 -13.977 1.00 0.00 C ATOM 1051 C GLN A 65 -6.093 -1.360 -13.124 1.00 0.00 C ATOM 1052 O GLN A 65 -6.005 -0.942 -11.968 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.091 0.269 -14.768 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.972 1.506 -13.895 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.655 2.767 -14.668 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.019 2.910 -15.839 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.978 3.691 -14.013 1.00 0.00 N ATOM 0 H GLN A 65 -8.388 -0.262 -12.347 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.491 -1.836 -14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.182 0.165 -15.360 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.914 0.409 -15.470 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.907 1.648 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.193 1.341 -13.151 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.698 3.529 -13.046 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.735 4.568 -14.474 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.144 -2.130 -13.666 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.931 -2.503 -12.940 1.00 0.00 C ATOM 1068 C PRO A 66 -3.037 -1.291 -12.657 1.00 0.00 C ATOM 1069 O PRO A 66 -2.925 -0.376 -13.477 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.227 -3.496 -13.874 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.790 -3.232 -15.230 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.179 -2.692 -15.026 1.00 0.00 C ATOM 0 HA PRO A 66 -4.157 -2.927 -11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.147 -3.349 -13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.412 -4.525 -13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.173 -2.516 -15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.814 -4.146 -15.823 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.425 -1.931 -15.767 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.930 -3.477 -15.115 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.404 -1.284 -11.501 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.551 -0.176 -11.099 1.00 0.00 C ATOM 1082 C ILE A 67 -0.098 -0.499 -11.392 1.00 0.00 C ATOM 1083 O ILE A 67 0.315 -1.662 -11.350 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.696 0.130 -9.588 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.166 0.222 -9.192 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.977 1.422 -9.231 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.371 0.461 -7.714 1.00 0.00 C ATOM 0 H ILE A 67 -2.463 -2.038 -10.817 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.864 0.699 -11.669 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.239 -0.690 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.637 1.030 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.671 -0.701 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.091 1.619 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.082 1.328 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.406 2.246 -9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.438 0.516 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.929 -0.359 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.894 1.398 -7.427 1.00 0.00 H new ATOM 1099 N ASN A 68 0.685 0.521 -11.693 1.00 0.00 N ATOM 1100 CA ASN A 68 2.093 0.340 -11.969 1.00 0.00 C ATOM 1101 C ASN A 68 2.889 1.238 -11.075 1.00 0.00 C ATOM 1102 O ASN A 68 2.345 2.120 -10.415 1.00 0.00 O ATOM 1103 CB ASN A 68 2.441 0.683 -13.419 1.00 0.00 C ATOM 1104 CG ASN A 68 1.328 0.411 -14.382 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.188 -0.696 -14.899 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.541 1.426 -14.647 1.00 0.00 N ATOM 0 H ASN A 68 0.364 1.488 -11.752 1.00 0.00 H new ATOM 0 HA ASN A 68 2.330 -0.709 -11.793 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.713 1.737 -13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.318 0.110 -13.719 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.228 1.316 -15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.698 2.325 -14.192 1.00 0.00 H new ATOM 1113 N GLU A 69 4.181 1.042 -11.063 1.00 0.00 N ATOM 1114 CA GLU A 69 5.065 1.868 -10.279 1.00 0.00 C ATOM 1115 C GLU A 69 5.284 3.215 -10.969 1.00 0.00 C ATOM 1116 O GLU A 69 5.894 4.126 -10.413 1.00 0.00 O ATOM 1117 CB GLU A 69 6.392 1.144 -10.057 1.00 0.00 C ATOM 1118 CG GLU A 69 7.061 0.680 -11.339 1.00 0.00 C ATOM 1119 CD GLU A 69 8.213 -0.257 -11.079 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.347 0.228 -10.894 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.988 -1.483 -11.063 1.00 0.00 O ATOM 0 H GLU A 69 4.650 0.308 -11.594 1.00 0.00 H new ATOM 0 HA GLU A 69 4.609 2.058 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.072 1.808 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.220 0.280 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.325 0.181 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.420 1.547 -11.893 1.00 0.00 H new ATOM 1128 N THR A 70 4.801 3.320 -12.198 1.00 0.00 N ATOM 1129 CA THR A 70 4.919 4.532 -12.972 1.00 0.00 C ATOM 1130 C THR A 70 3.717 5.439 -12.766 1.00 0.00 C ATOM 1131 O THR A 70 3.668 6.555 -13.289 1.00 0.00 O ATOM 1132 CB THR A 70 5.063 4.204 -14.468 1.00 0.00 C ATOM 1133 OG1 THR A 70 3.976 3.359 -14.886 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.383 3.491 -14.732 1.00 0.00 C ATOM 0 H THR A 70 4.317 2.563 -12.681 1.00 0.00 H new ATOM 0 HA THR A 70 5.811 5.055 -12.628 1.00 0.00 H new ATOM 0 HB THR A 70 5.044 5.137 -15.032 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.070 3.153 -15.840 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.469 3.266 -15.795 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.210 4.133 -14.429 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.416 2.563 -14.161 1.00 0.00 H new ATOM 1142 N ASP A 71 2.743 4.976 -12.003 1.00 0.00 N ATOM 1143 CA ASP A 71 1.555 5.762 -11.750 1.00 0.00 C ATOM 1144 C ASP A 71 1.596 6.445 -10.386 1.00 0.00 C ATOM 1145 O ASP A 71 2.193 5.941 -9.433 1.00 0.00 O ATOM 1146 CB ASP A 71 0.321 4.895 -11.869 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.118 4.751 -13.294 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.449 3.908 -14.003 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.015 5.498 -13.729 1.00 0.00 O ATOM 0 H ASP A 71 2.754 4.062 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 71 1.517 6.549 -12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.526 3.910 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.487 5.329 -11.281 1.00 0.00 H new ATOM 1154 N THR A 72 0.976 7.611 -10.304 1.00 0.00 N ATOM 1155 CA THR A 72 0.893 8.364 -9.064 1.00 0.00 C ATOM 1156 C THR A 72 -0.539 8.401 -8.550 1.00 0.00 C ATOM 1157 O THR A 72 -1.480 8.240 -9.321 1.00 0.00 O ATOM 1158 CB THR A 72 1.385 9.809 -9.259 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.098 10.249 -10.595 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.869 9.928 -8.968 1.00 0.00 C ATOM 0 H THR A 72 0.516 8.062 -11.095 1.00 0.00 H new ATOM 0 HA THR A 72 1.531 7.861 -8.338 1.00 0.00 H new ATOM 0 HB THR A 72 0.856 10.448 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.412 11.170 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.187 10.960 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.063 9.632 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.425 9.278 -9.643 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.727 8.629 -7.237 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.061 8.715 -6.629 1.00 0.00 C ATOM 1170 C PRO A 73 -2.884 9.847 -7.238 1.00 0.00 C ATOM 1171 O PRO A 73 -4.111 9.765 -7.356 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.765 9.013 -5.148 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.360 9.514 -5.129 1.00 0.00 C ATOM 1174 CD PRO A 73 0.338 8.815 -6.244 1.00 0.00 C ATOM 0 HA PRO A 73 -2.643 7.806 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.455 9.757 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.873 8.118 -4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.329 10.595 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.118 9.299 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.160 9.410 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.760 7.863 -5.922 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.199 10.899 -7.656 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.851 12.051 -8.237 1.00 0.00 C ATOM 1184 C ALA A 74 -3.256 11.795 -9.680 1.00 0.00 C ATOM 1185 O ALA A 74 -4.000 12.575 -10.272 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.946 13.265 -8.154 1.00 0.00 C ATOM 0 H ALA A 74 -1.183 10.974 -7.601 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.759 12.242 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.450 14.125 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.715 13.476 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.022 13.068 -8.697 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.776 10.702 -10.253 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.096 10.378 -11.629 1.00 0.00 C ATOM 1194 C GLN A 75 -4.540 9.946 -11.739 1.00 0.00 C ATOM 1195 O GLN A 75 -5.289 10.415 -12.590 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.202 9.255 -12.143 1.00 0.00 C ATOM 1197 CG GLN A 75 -2.100 9.229 -13.648 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.509 10.512 -14.190 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.302 10.612 -14.403 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -2.347 11.511 -14.383 1.00 0.00 N ATOM 0 H GLN A 75 -2.167 10.029 -9.787 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.930 11.271 -12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.205 9.368 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.591 8.299 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.483 8.385 -13.957 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.090 9.074 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.342 11.386 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.001 12.409 -14.721 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.921 9.052 -10.863 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.257 8.500 -10.850 1.00 0.00 C ATOM 1211 C LEU A 76 -7.192 9.393 -10.043 1.00 0.00 C ATOM 1212 O LEU A 76 -8.385 9.104 -9.900 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.225 7.087 -10.262 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.920 6.309 -10.498 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -4.001 6.427 -9.291 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.205 4.851 -10.812 1.00 0.00 C ATOM 0 H LEU A 76 -4.312 8.683 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.632 8.449 -11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.400 7.154 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.051 6.516 -10.685 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.416 6.748 -11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.083 5.870 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.760 7.476 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.501 6.020 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.265 4.323 -10.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.737 4.396 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.818 4.786 -11.711 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.633 10.495 -9.517 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.376 11.454 -8.696 1.00 0.00 C ATOM 1230 C GLU A 77 -8.100 10.744 -7.565 1.00 0.00 C ATOM 1231 O GLU A 77 -9.273 11.011 -7.274 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.352 12.268 -9.547 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.673 13.078 -10.638 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.590 14.098 -11.259 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.425 13.724 -12.107 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.476 15.290 -10.907 1.00 0.00 O ATOM 0 H GLU A 77 -5.653 10.743 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.660 12.149 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.075 11.592 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.912 12.943 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.802 13.584 -10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.309 12.403 -11.413 1.00 0.00 H new ATOM 1243 N MET A 78 -7.398 9.831 -6.929 1.00 0.00 N ATOM 1244 CA MET A 78 -7.950 9.064 -5.838 1.00 0.00 C ATOM 1245 C MET A 78 -8.003 9.916 -4.579 1.00 0.00 C ATOM 1246 O MET A 78 -7.281 10.912 -4.455 1.00 0.00 O ATOM 1247 CB MET A 78 -7.121 7.796 -5.622 1.00 0.00 C ATOM 1248 CG MET A 78 -5.711 8.055 -5.137 1.00 0.00 C ATOM 1249 SD MET A 78 -4.529 6.812 -5.713 1.00 0.00 S ATOM 1250 CE MET A 78 -5.371 5.300 -5.279 1.00 0.00 C ATOM 0 H MET A 78 -6.430 9.601 -7.155 1.00 0.00 H new ATOM 0 HA MET A 78 -8.969 8.763 -6.082 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.631 7.160 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.075 7.241 -6.559 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.390 9.039 -5.477 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.705 8.077 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.638 4.539 -5.011 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.031 5.482 -4.431 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.959 4.954 -6.129 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.841 9.536 -3.651 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.043 10.314 -2.444 1.00 0.00 C ATOM 1262 C GLU A 79 -8.442 9.608 -1.250 1.00 0.00 C ATOM 1263 O GLU A 79 -8.054 8.440 -1.336 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.535 10.523 -2.213 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.274 9.240 -1.873 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.769 9.377 -1.971 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.378 9.969 -1.057 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.348 8.884 -2.965 1.00 0.00 O ATOM 0 H GLU A 79 -9.402 8.686 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.551 11.279 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.674 11.240 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.976 10.963 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.943 8.448 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.009 8.932 -0.862 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.322 10.324 -0.138 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.871 9.736 1.109 1.00 0.00 C ATOM 1277 C ASP A 80 -8.677 8.500 1.463 1.00 0.00 C ATOM 1278 O ASP A 80 -9.902 8.466 1.308 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.989 10.745 2.249 1.00 0.00 C ATOM 1280 CG ASP A 80 -6.891 11.761 2.276 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -7.036 12.809 1.612 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -5.887 11.529 2.975 1.00 0.00 O ATOM 0 H ASP A 80 -8.534 11.320 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.828 9.451 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.946 11.261 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.997 10.208 3.197 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.972 7.486 1.922 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.552 6.231 2.354 1.00 0.00 C ATOM 1289 C GLU A 81 -9.157 5.447 1.207 1.00 0.00 C ATOM 1290 O GLU A 81 -10.040 4.612 1.404 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.561 6.442 3.477 1.00 0.00 C ATOM 1292 CG GLU A 81 -8.916 6.870 4.780 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.777 6.561 5.969 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.037 5.363 6.221 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.192 7.501 6.668 1.00 0.00 O ATOM 0 H GLU A 81 -6.956 7.513 2.007 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.734 5.628 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.284 7.198 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.115 5.517 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.955 6.367 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.714 7.941 4.749 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.687 5.705 0.002 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.133 4.932 -1.146 1.00 0.00 C ATOM 1304 C ASP A 82 -8.596 3.518 -1.030 1.00 0.00 C ATOM 1305 O ASP A 82 -7.531 3.298 -0.448 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.698 5.567 -2.464 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.884 5.887 -3.352 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.769 5.012 -3.513 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -9.947 7.010 -3.892 1.00 0.00 O ATOM 0 H ASP A 82 -8.005 6.434 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.223 4.914 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.139 6.480 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.023 4.890 -2.988 1.00 0.00 H new ATOM 1314 N THR A 83 -9.309 2.557 -1.569 1.00 0.00 N ATOM 1315 CA THR A 83 -8.931 1.171 -1.406 1.00 0.00 C ATOM 1316 C THR A 83 -8.338 0.565 -2.678 1.00 0.00 C ATOM 1317 O THR A 83 -8.927 0.631 -3.760 1.00 0.00 O ATOM 1318 CB THR A 83 -10.132 0.330 -0.939 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.709 0.942 0.223 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.701 -1.089 -0.598 1.00 0.00 C ATOM 0 H THR A 83 -10.152 2.708 -2.123 1.00 0.00 H new ATOM 0 HA THR A 83 -8.153 1.152 -0.643 1.00 0.00 H new ATOM 0 HB THR A 83 -10.863 0.285 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.476 0.412 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.567 -1.664 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.266 -1.559 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.960 -1.062 0.201 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.161 -0.011 -2.535 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.476 -0.696 -3.611 1.00 0.00 C ATOM 1330 C ILE A 84 -6.834 -2.174 -3.555 1.00 0.00 C ATOM 1331 O ILE A 84 -6.937 -2.745 -2.477 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.940 -0.567 -3.453 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.509 0.899 -3.321 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.219 -1.243 -4.604 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.832 1.746 -4.525 1.00 0.00 C ATOM 0 H ILE A 84 -6.647 -0.016 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.780 -0.250 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.660 -1.076 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.993 1.331 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.434 0.936 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.142 -1.139 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.481 -2.301 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.515 -0.776 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.495 2.768 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.326 1.341 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.909 1.743 -4.694 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.026 -2.796 -4.693 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.352 -4.213 -4.722 1.00 0.00 C ATOM 1349 C ASP A 85 -6.159 -5.036 -5.191 1.00 0.00 C ATOM 1350 O ASP A 85 -5.608 -4.799 -6.262 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.567 -4.474 -5.615 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.875 -4.041 -4.976 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.507 -4.874 -4.274 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.290 -2.876 -5.179 1.00 0.00 O ATOM 0 H ASP A 85 -6.964 -2.352 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.601 -4.520 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.438 -3.945 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.618 -5.537 -5.849 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.744 -5.988 -4.371 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.617 -6.858 -4.693 1.00 0.00 C ATOM 1361 C VAL A 86 -5.078 -8.287 -4.939 1.00 0.00 C ATOM 1362 O VAL A 86 -5.894 -8.831 -4.188 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.563 -6.857 -3.562 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.448 -7.856 -3.840 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.991 -5.477 -3.388 1.00 0.00 C ATOM 0 H VAL A 86 -6.174 -6.182 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.164 -6.464 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.060 -7.158 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.724 -7.829 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.869 -8.858 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.952 -7.596 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.250 -5.488 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.518 -5.159 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.790 -4.782 -3.132 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.528 -8.903 -5.968 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.860 -10.269 -6.332 1.00 0.00 C ATOM 1377 C PHE A 87 -3.587 -11.051 -6.620 1.00 0.00 C ATOM 1378 O PHE A 87 -2.559 -10.464 -6.992 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.814 -10.303 -7.535 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.468 -9.328 -8.627 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.952 -8.032 -8.585 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.665 -9.703 -9.691 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.645 -7.132 -9.576 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.356 -8.798 -10.692 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.847 -7.513 -10.633 1.00 0.00 C ATOM 0 H PHE A 87 -3.835 -8.469 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.375 -10.739 -5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.819 -11.310 -7.951 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.826 -10.097 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.580 -7.724 -7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.277 -10.710 -9.740 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.030 -6.124 -9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.730 -9.100 -11.519 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.607 -6.806 -11.413 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.629 -12.362 -6.424 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.463 -13.205 -6.627 1.00 0.00 C ATOM 1397 C GLN A 88 -2.211 -13.466 -8.115 1.00 0.00 C ATOM 1398 O GLN A 88 -3.042 -14.042 -8.817 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.629 -14.536 -5.886 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.338 -15.337 -5.774 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.586 -15.090 -4.472 1.00 0.00 C ATOM 1402 OE1 GLN A 88 0.149 -15.954 -3.998 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.776 -13.928 -3.876 1.00 0.00 N ATOM 0 H GLN A 88 -4.464 -12.865 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.600 -12.674 -6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.013 -14.339 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.377 -15.138 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.569 -16.399 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.689 -15.086 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.393 -13.234 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.306 -13.724 -2.994 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.064 -13.034 -8.586 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.660 -13.242 -9.965 1.00 0.00 C ATOM 1414 C GLN A 89 0.357 -14.367 -10.073 1.00 0.00 C ATOM 1415 O GLN A 89 1.072 -14.489 -11.065 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.110 -11.950 -10.557 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.198 -11.011 -11.030 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.877 -11.510 -12.288 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.250 -12.132 -13.139 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.163 -11.266 -12.403 1.00 0.00 N ATOM 0 H GLN A 89 -0.380 -12.526 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.539 -13.536 -10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.500 -11.444 -9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.546 -12.190 -11.394 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.941 -10.892 -10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.770 -10.026 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.650 -10.745 -11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.674 -11.598 -13.221 1.00 0.00 H new ATOM 1429 N GLN A 90 0.397 -15.213 -9.064 1.00 0.00 N ATOM 1430 CA GLN A 90 1.291 -16.347 -9.064 1.00 0.00 C ATOM 1431 C GLN A 90 0.602 -17.520 -9.728 1.00 0.00 C ATOM 1432 O GLN A 90 -0.350 -18.079 -9.186 1.00 0.00 O ATOM 1433 CB GLN A 90 1.697 -16.738 -7.640 1.00 0.00 C ATOM 1434 CG GLN A 90 2.685 -17.897 -7.594 1.00 0.00 C ATOM 1435 CD GLN A 90 2.863 -18.491 -6.208 1.00 0.00 C ATOM 1436 OE1 GLN A 90 3.153 -19.677 -6.067 1.00 0.00 O ATOM 1437 NE2 GLN A 90 2.683 -17.685 -5.182 1.00 0.00 N ATOM 0 H GLN A 90 -0.184 -15.133 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 90 2.193 -16.074 -9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.138 -15.873 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.804 -17.008 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.347 -18.679 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.653 -17.553 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.443 -16.706 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.784 -18.040 -4.231 1.00 0.00 H new ATOM 1446 N THR A 91 1.049 -17.880 -10.905 1.00 0.00 N ATOM 1447 CA THR A 91 0.469 -18.991 -11.617 1.00 0.00 C ATOM 1448 C THR A 91 1.554 -19.931 -12.115 1.00 0.00 C ATOM 1449 O THR A 91 2.214 -19.668 -13.118 1.00 0.00 O ATOM 1450 CB THR A 91 -0.402 -18.504 -12.792 1.00 0.00 C ATOM 1451 OG1 THR A 91 -1.406 -17.609 -12.291 1.00 0.00 O ATOM 1452 CG2 THR A 91 -1.081 -19.674 -13.491 1.00 0.00 C ATOM 0 H THR A 91 1.816 -17.417 -11.392 1.00 0.00 H new ATOM 0 HA THR A 91 -0.172 -19.535 -10.924 1.00 0.00 H new ATOM 0 HB THR A 91 0.239 -17.995 -13.512 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.963 -17.294 -13.033 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.689 -19.302 -14.316 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.324 -20.356 -13.877 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.717 -20.203 -12.781 1.00 0.00 H new ATOM 1460 N GLY A 92 1.766 -21.016 -11.382 1.00 0.00 N ATOM 1461 CA GLY A 92 2.770 -21.985 -11.753 1.00 0.00 C ATOM 1462 C GLY A 92 4.161 -21.542 -11.361 1.00 0.00 C ATOM 1463 O GLY A 92 4.723 -22.011 -10.370 1.00 0.00 O ATOM 0 H GLY A 92 1.253 -21.241 -10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.546 -22.939 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.733 -22.151 -12.830 1.00 0.00 H new ATOM 1467 N GLY A 93 4.717 -20.626 -12.120 1.00 0.00 N ATOM 1468 CA GLY A 93 6.038 -20.143 -11.844 1.00 0.00 C ATOM 1469 C GLY A 93 6.516 -19.214 -12.914 1.00 0.00 C ATOM 1470 O GLY A 93 6.063 -19.361 -14.068 1.00 0.00 O ATOM 1471 OXT GLY A 93 7.342 -18.336 -12.618 1.00 0.00 O ATOM 0 H GLY A 93 4.269 -20.204 -12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.045 -19.628 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.724 -20.986 -11.759 1.00 0.00 H new TER 1475 GLY A 93