USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 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 15 ASN : amide:sc= 0.202 K(o=0.41,f=-4.5) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 148:sc= 0.204 (180deg=-0.342) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.286 K(o=-0.65,f=-2.5) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.361 K(o=-0.65,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.314 (180deg=-0.515) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.041 (180deg=-0.275) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0261 (180deg=-0.201) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.257 X(o=-0.26,f=-0.37) USER MOD Single : A 19 ASN : amide:sc= -2.61 K(o=-2.6,f=-7.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -155:sc= -0.244 (180deg=-1.94) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0146 (180deg=-0.204) USER MOD Single : A 47 TYR OH : rot 14:sc= 0.77 USER MOD Single : A 48 CYS SG : rot 152:sc= -4.07! USER MOD Single : A 51 GLN : amide:sc= -2.24 K(o=-2.2,f=-4.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -135:sc= -3.47! (180deg=-8.45!) USER MOD Single : A 57 GLN : amide:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 68 ASN : amide:sc= -4.67! C(o=-4.7!,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.689 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -159:sc= -1.5 (180deg=-2.64) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.774 K(o=-0.77,f=-3.6!) USER MOD Single : A 90 GLN : amide:sc= -1.01 K(o=-1,f=-0.12) USER MOD Single : A 91 THR OG1 : rot 41:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.910 11.766 34.901 1.00 0.00 N ATOM 2 CA MET A 1 8.978 12.195 33.490 1.00 0.00 C ATOM 3 C MET A 1 8.181 13.477 33.255 1.00 0.00 C ATOM 4 O MET A 1 8.286 14.093 32.199 1.00 0.00 O ATOM 5 CB MET A 1 8.447 11.096 32.568 1.00 0.00 C ATOM 6 CG MET A 1 6.975 10.780 32.781 1.00 0.00 C ATOM 7 SD MET A 1 6.349 9.554 31.623 1.00 0.00 S ATOM 8 CE MET A 1 4.641 9.450 32.150 1.00 0.00 C ATOM 0 H1 MET A 1 9.171 10.762 34.971 1.00 0.00 H new ATOM 0 H2 MET A 1 9.569 12.336 35.469 1.00 0.00 H new ATOM 0 H3 MET A 1 7.942 11.898 35.258 1.00 0.00 H new ATOM 0 HA MET A 1 10.026 12.390 33.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.599 11.398 31.532 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.031 10.189 32.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.830 10.419 33.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.394 11.697 32.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.112 8.728 31.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.600 9.131 33.192 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.170 10.428 32.051 1.00 0.00 H new ATOM 18 N ALA A 2 7.414 13.898 34.249 1.00 0.00 N ATOM 19 CA ALA A 2 6.543 15.055 34.104 1.00 0.00 C ATOM 20 C ALA A 2 7.340 16.346 34.036 1.00 0.00 C ATOM 21 O ALA A 2 7.386 17.006 33.003 1.00 0.00 O ATOM 22 CB ALA A 2 5.543 15.107 35.240 1.00 0.00 C ATOM 0 H ALA A 2 7.377 13.455 35.167 1.00 0.00 H new ATOM 0 HA ALA A 2 6.002 14.950 33.163 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.899 15.978 35.118 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.936 14.202 35.232 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.074 15.179 36.189 1.00 0.00 H new ATOM 28 N ASP A 3 7.994 16.695 35.133 1.00 0.00 N ATOM 29 CA ASP A 3 8.777 17.923 35.197 1.00 0.00 C ATOM 30 C ASP A 3 10.219 17.651 34.819 1.00 0.00 C ATOM 31 O ASP A 3 11.089 18.521 34.923 1.00 0.00 O ATOM 32 CB ASP A 3 8.705 18.542 36.598 1.00 0.00 C ATOM 33 CG ASP A 3 7.294 18.922 36.996 1.00 0.00 C ATOM 34 OD1 ASP A 3 6.721 19.843 36.379 1.00 0.00 O ATOM 35 OD2 ASP A 3 6.750 18.302 37.934 1.00 0.00 O ATOM 0 H ASP A 3 7.999 16.146 35.993 1.00 0.00 H new ATOM 0 HA ASP A 3 8.355 18.632 34.485 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.105 17.835 37.324 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.339 19.428 36.633 1.00 0.00 H new ATOM 40 N GLU A 4 10.477 16.437 34.370 1.00 0.00 N ATOM 41 CA GLU A 4 11.806 16.042 33.958 1.00 0.00 C ATOM 42 C GLU A 4 12.025 16.350 32.488 1.00 0.00 C ATOM 43 O GLU A 4 13.019 16.983 32.119 1.00 0.00 O ATOM 44 CB GLU A 4 12.037 14.560 34.228 1.00 0.00 C ATOM 45 CG GLU A 4 12.099 14.210 35.703 1.00 0.00 C ATOM 46 CD GLU A 4 12.182 12.724 35.937 1.00 0.00 C ATOM 47 OE1 GLU A 4 13.272 12.150 35.776 1.00 0.00 O ATOM 48 OE2 GLU A 4 11.150 12.118 36.268 1.00 0.00 O ATOM 0 H GLU A 4 9.774 15.703 34.282 1.00 0.00 H new ATOM 0 HA GLU A 4 12.525 16.615 34.543 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.237 13.986 33.761 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.969 14.254 33.752 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.965 14.695 36.153 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.216 14.605 36.205 1.00 0.00 H new ATOM 55 N LYS A 5 11.081 15.937 31.639 1.00 0.00 N ATOM 56 CA LYS A 5 11.195 16.155 30.198 1.00 0.00 C ATOM 57 C LYS A 5 9.833 16.486 29.589 1.00 0.00 C ATOM 58 O LYS A 5 9.218 15.648 28.932 1.00 0.00 O ATOM 59 CB LYS A 5 11.792 14.924 29.500 1.00 0.00 C ATOM 60 CG LYS A 5 13.243 14.641 29.862 1.00 0.00 C ATOM 61 CD LYS A 5 14.181 15.729 29.346 1.00 0.00 C ATOM 62 CE LYS A 5 14.233 15.760 27.825 1.00 0.00 C ATOM 63 NZ LYS A 5 14.754 14.490 27.262 1.00 0.00 N ATOM 0 H LYS A 5 10.231 15.451 31.925 1.00 0.00 H new ATOM 0 HA LYS A 5 11.864 17.001 30.045 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.190 14.051 29.751 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.719 15.062 28.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.338 14.563 30.945 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.540 13.678 29.446 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.851 16.699 29.718 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.183 15.561 29.740 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.234 15.948 27.432 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.865 16.587 27.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.013 14.633 26.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.593 14.191 27.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.021 13.755 27.328 1.00 0.00 H new ATOM 77 N PRO A 6 9.330 17.699 29.838 1.00 0.00 N ATOM 78 CA PRO A 6 8.057 18.146 29.291 1.00 0.00 C ATOM 79 C PRO A 6 8.211 18.768 27.901 1.00 0.00 C ATOM 80 O PRO A 6 9.296 19.215 27.519 1.00 0.00 O ATOM 81 CB PRO A 6 7.625 19.213 30.291 1.00 0.00 C ATOM 82 CG PRO A 6 8.906 19.820 30.762 1.00 0.00 C ATOM 83 CD PRO A 6 9.950 18.725 30.700 1.00 0.00 C ATOM 0 HA PRO A 6 7.348 17.327 29.165 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.980 19.958 29.824 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.063 18.779 31.118 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.190 20.663 30.132 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.804 20.201 31.778 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.887 19.089 30.279 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.177 18.332 31.691 1.00 0.00 H new ATOM 91 N LYS A 7 7.128 18.797 27.148 1.00 0.00 N ATOM 92 CA LYS A 7 7.117 19.411 25.828 1.00 0.00 C ATOM 93 C LYS A 7 6.701 20.873 25.938 1.00 0.00 C ATOM 94 O LYS A 7 5.847 21.352 25.188 1.00 0.00 O ATOM 95 CB LYS A 7 6.156 18.665 24.893 1.00 0.00 C ATOM 96 CG LYS A 7 6.573 17.241 24.575 1.00 0.00 C ATOM 97 CD LYS A 7 5.585 16.578 23.627 1.00 0.00 C ATOM 98 CE LYS A 7 6.013 15.163 23.271 1.00 0.00 C ATOM 99 NZ LYS A 7 6.138 14.300 24.473 1.00 0.00 N ATOM 0 H LYS A 7 6.233 18.398 27.430 1.00 0.00 H new ATOM 0 HA LYS A 7 8.123 19.353 25.411 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.165 18.648 25.348 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.069 19.223 23.960 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.567 17.242 24.127 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.639 16.664 25.497 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.597 16.555 24.088 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.498 17.172 22.717 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.287 14.726 22.585 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.968 15.194 22.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.230 13.307 24.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.980 14.580 25.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.291 14.408 25.067 1.00 0.00 H new ATOM 113 N GLU A 8 7.306 21.580 26.881 1.00 0.00 N ATOM 114 CA GLU A 8 7.004 22.983 27.108 1.00 0.00 C ATOM 115 C GLU A 8 7.447 23.810 25.899 1.00 0.00 C ATOM 116 O GLU A 8 8.561 23.646 25.390 1.00 0.00 O ATOM 117 CB GLU A 8 7.708 23.468 28.382 1.00 0.00 C ATOM 118 CG GLU A 8 6.908 24.472 29.210 1.00 0.00 C ATOM 119 CD GLU A 8 6.607 25.753 28.469 1.00 0.00 C ATOM 120 OE1 GLU A 8 7.433 26.685 28.526 1.00 0.00 O ATOM 121 OE2 GLU A 8 5.539 25.836 27.833 1.00 0.00 O ATOM 0 H GLU A 8 8.016 21.199 27.506 1.00 0.00 H new ATOM 0 HA GLU A 8 5.929 23.106 27.238 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.937 22.604 29.006 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.659 23.922 28.105 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.970 24.011 29.520 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.463 24.708 30.118 1.00 0.00 H new ATOM 128 N GLY A 9 6.584 24.695 25.450 1.00 0.00 N ATOM 129 CA GLY A 9 6.873 25.496 24.287 1.00 0.00 C ATOM 130 C GLY A 9 5.835 25.303 23.208 1.00 0.00 C ATOM 131 O GLY A 9 5.322 24.195 23.015 1.00 0.00 O ATOM 0 H GLY A 9 5.675 24.876 25.876 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.914 26.548 24.570 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.857 25.232 23.898 1.00 0.00 H new ATOM 135 N VAL A 10 5.503 26.369 22.507 1.00 0.00 N ATOM 136 CA VAL A 10 4.515 26.302 21.442 1.00 0.00 C ATOM 137 C VAL A 10 5.080 25.567 20.233 1.00 0.00 C ATOM 138 O VAL A 10 6.123 25.940 19.688 1.00 0.00 O ATOM 139 CB VAL A 10 4.040 27.711 21.012 1.00 0.00 C ATOM 140 CG1 VAL A 10 2.980 27.615 19.924 1.00 0.00 C ATOM 141 CG2 VAL A 10 3.504 28.481 22.208 1.00 0.00 C ATOM 0 H VAL A 10 5.903 27.296 22.654 1.00 0.00 H new ATOM 0 HA VAL A 10 3.657 25.755 21.833 1.00 0.00 H new ATOM 0 HB VAL A 10 4.897 28.250 20.608 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.661 28.617 19.637 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.395 27.104 19.055 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.123 27.055 20.299 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.175 29.469 21.887 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.662 27.941 22.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.290 28.586 22.955 1.00 0.00 H new ATOM 151 N LYS A 11 4.391 24.524 19.803 1.00 0.00 N ATOM 152 CA LYS A 11 4.831 23.721 18.676 1.00 0.00 C ATOM 153 C LYS A 11 3.643 23.331 17.824 1.00 0.00 C ATOM 154 O LYS A 11 2.787 22.552 18.251 1.00 0.00 O ATOM 155 CB LYS A 11 5.569 22.459 19.147 1.00 0.00 C ATOM 156 CG LYS A 11 6.851 22.732 19.919 1.00 0.00 C ATOM 157 CD LYS A 11 7.587 21.443 20.236 1.00 0.00 C ATOM 158 CE LYS A 11 8.863 21.711 21.015 1.00 0.00 C ATOM 159 NZ LYS A 11 9.666 20.477 21.198 1.00 0.00 N ATOM 0 H LYS A 11 3.516 24.211 20.223 1.00 0.00 H new ATOM 0 HA LYS A 11 5.523 24.320 18.084 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.898 21.874 19.776 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.806 21.846 18.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.497 23.388 19.336 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.616 23.257 20.845 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.938 20.784 20.813 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.827 20.922 19.309 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.459 22.458 20.491 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.613 22.130 21.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.529 20.701 21.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.106 19.773 21.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.926 20.091 20.268 1.00 0.00 H new ATOM 173 N THR A 12 3.568 23.876 16.630 1.00 0.00 N ATOM 174 CA THR A 12 2.470 23.574 15.741 1.00 0.00 C ATOM 175 C THR A 12 2.676 22.226 15.070 1.00 0.00 C ATOM 176 O THR A 12 3.751 21.939 14.529 1.00 0.00 O ATOM 177 CB THR A 12 2.279 24.673 14.668 1.00 0.00 C ATOM 178 OG1 THR A 12 3.514 24.910 13.970 1.00 0.00 O ATOM 179 CG2 THR A 12 1.798 25.968 15.307 1.00 0.00 C ATOM 0 H THR A 12 4.254 24.530 16.253 1.00 0.00 H new ATOM 0 HA THR A 12 1.566 23.536 16.349 1.00 0.00 H new ATOM 0 HB THR A 12 1.527 24.328 13.959 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.379 25.606 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.670 26.728 14.536 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.846 25.795 15.808 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.534 26.310 16.035 1.00 0.00 H new ATOM 187 N GLU A 13 1.658 21.388 15.112 1.00 0.00 N ATOM 188 CA GLU A 13 1.723 20.081 14.504 1.00 0.00 C ATOM 189 C GLU A 13 0.535 19.884 13.581 1.00 0.00 C ATOM 190 O GLU A 13 -0.521 19.391 13.988 1.00 0.00 O ATOM 191 CB GLU A 13 1.770 18.976 15.564 1.00 0.00 C ATOM 192 CG GLU A 13 2.989 19.043 16.474 1.00 0.00 C ATOM 193 CD GLU A 13 2.983 17.967 17.534 1.00 0.00 C ATOM 194 OE1 GLU A 13 2.278 18.137 18.551 1.00 0.00 O ATOM 195 OE2 GLU A 13 3.687 16.947 17.363 1.00 0.00 O ATOM 0 H GLU A 13 0.769 21.596 15.567 1.00 0.00 H new ATOM 0 HA GLU A 13 2.642 20.018 13.922 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.869 19.034 16.175 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.754 18.007 15.065 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.893 18.949 15.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.026 20.021 16.954 1.00 0.00 H new ATOM 202 N ASN A 14 0.697 20.302 12.348 1.00 0.00 N ATOM 203 CA ASN A 14 -0.350 20.192 11.354 1.00 0.00 C ATOM 204 C ASN A 14 -0.265 18.841 10.670 1.00 0.00 C ATOM 205 O ASN A 14 0.409 18.675 9.651 1.00 0.00 O ATOM 206 CB ASN A 14 -0.245 21.336 10.333 1.00 0.00 C ATOM 207 CG ASN A 14 -1.311 21.277 9.248 1.00 0.00 C ATOM 208 OD1 ASN A 14 -2.417 21.773 9.427 1.00 0.00 O ATOM 209 ND2 ASN A 14 -0.969 20.705 8.110 1.00 0.00 N ATOM 0 H ASN A 14 1.557 20.728 12.003 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.320 20.273 11.845 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.322 22.289 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.740 21.308 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.636 20.664 7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.038 20.303 8.001 1.00 0.00 H new ATOM 216 N ASN A 15 -0.916 17.862 11.250 1.00 0.00 N ATOM 217 CA ASN A 15 -0.876 16.520 10.719 1.00 0.00 C ATOM 218 C ASN A 15 -2.182 16.167 10.040 1.00 0.00 C ATOM 219 O ASN A 15 -3.258 16.564 10.482 1.00 0.00 O ATOM 220 CB ASN A 15 -0.579 15.503 11.827 1.00 0.00 C ATOM 221 CG ASN A 15 -0.344 14.103 11.278 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.191 13.937 10.178 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.750 13.097 12.024 1.00 0.00 N ATOM 0 H ASN A 15 -1.481 17.969 12.092 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.075 16.482 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.300 15.824 12.386 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.412 15.480 12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.627 12.138 11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.188 13.276 12.928 1.00 0.00 H new ATOM 230 N ASP A 16 -2.084 15.403 8.978 1.00 0.00 N ATOM 231 CA ASP A 16 -3.252 14.964 8.243 1.00 0.00 C ATOM 232 C ASP A 16 -3.423 13.475 8.393 1.00 0.00 C ATOM 233 O ASP A 16 -4.035 13.001 9.353 1.00 0.00 O ATOM 234 CB ASP A 16 -3.177 15.369 6.758 1.00 0.00 C ATOM 235 CG ASP A 16 -4.401 14.918 5.972 1.00 0.00 C ATOM 236 OD1 ASP A 16 -5.531 15.264 6.378 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.235 14.221 4.948 1.00 0.00 O ATOM 0 H ASP A 16 -1.198 15.068 8.599 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.126 15.462 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.079 16.452 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.282 14.937 6.311 1.00 0.00 H new ATOM 242 N HIS A 17 -2.836 12.743 7.471 1.00 0.00 N ATOM 243 CA HIS A 17 -2.869 11.296 7.438 1.00 0.00 C ATOM 244 C HIS A 17 -4.235 10.787 6.995 1.00 0.00 C ATOM 245 O HIS A 17 -5.276 11.255 7.445 1.00 0.00 O ATOM 246 CB HIS A 17 -2.418 10.673 8.793 1.00 0.00 C ATOM 247 CG HIS A 17 -3.448 9.807 9.462 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.240 10.235 10.498 1.00 0.00 N ATOM 249 CD2 HIS A 17 -3.824 8.539 9.206 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.057 9.271 10.853 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.828 8.225 10.084 1.00 0.00 N ATOM 0 H HIS A 17 -2.307 13.150 6.700 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.145 10.967 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.520 10.079 8.623 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.143 11.479 9.474 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.200 11.160 10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.410 7.890 8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.793 9.326 11.642 1.00 0.00 H new ATOM 260 N ILE A 18 -4.224 9.829 6.112 1.00 0.00 N ATOM 261 CA ILE A 18 -5.437 9.237 5.630 1.00 0.00 C ATOM 262 C ILE A 18 -5.358 7.732 5.742 1.00 0.00 C ATOM 263 O ILE A 18 -4.268 7.156 5.860 1.00 0.00 O ATOM 264 CB ILE A 18 -5.719 9.632 4.166 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.519 9.286 3.276 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.065 11.112 4.068 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.729 9.619 1.819 1.00 0.00 C ATOM 0 H ILE A 18 -3.374 9.437 5.707 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.255 9.610 6.246 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.578 9.062 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.642 9.822 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.304 8.222 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.261 11.372 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.952 11.319 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.230 11.706 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.839 9.347 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.586 9.063 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.914 10.688 1.713 1.00 0.00 H new ATOM 279 N ASN A 19 -6.497 7.090 5.729 1.00 0.00 N ATOM 280 CA ASN A 19 -6.549 5.646 5.812 1.00 0.00 C ATOM 281 C ASN A 19 -6.645 5.088 4.416 1.00 0.00 C ATOM 282 O ASN A 19 -7.535 5.446 3.663 1.00 0.00 O ATOM 283 CB ASN A 19 -7.750 5.178 6.646 1.00 0.00 C ATOM 284 CG ASN A 19 -8.244 6.230 7.622 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.733 6.371 8.728 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.252 6.958 7.214 1.00 0.00 N ATOM 0 H ASN A 19 -7.408 7.544 5.661 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.645 5.286 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.564 4.902 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.473 4.280 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.643 7.676 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.647 6.808 6.286 1.00 0.00 H new ATOM 293 N LEU A 20 -5.735 4.235 4.061 1.00 0.00 N ATOM 294 CA LEU A 20 -5.698 3.675 2.735 1.00 0.00 C ATOM 295 C LEU A 20 -5.760 2.177 2.803 1.00 0.00 C ATOM 296 O LEU A 20 -4.969 1.538 3.490 1.00 0.00 O ATOM 297 CB LEU A 20 -4.437 4.125 2.012 1.00 0.00 C ATOM 298 CG LEU A 20 -4.276 5.632 1.883 1.00 0.00 C ATOM 299 CD1 LEU A 20 -2.978 5.980 1.193 1.00 0.00 C ATOM 300 CD2 LEU A 20 -5.453 6.226 1.139 1.00 0.00 C ATOM 0 H LEU A 20 -4.994 3.904 4.679 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.564 4.031 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.571 3.726 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.432 3.687 1.014 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.248 6.059 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.887 7.063 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.142 5.587 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.967 5.541 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.323 7.305 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.512 5.789 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.373 6.013 1.684 1.00 0.00 H new ATOM 312 N LYS A 21 -6.697 1.609 2.105 1.00 0.00 N ATOM 313 CA LYS A 21 -6.868 0.188 2.118 1.00 0.00 C ATOM 314 C LYS A 21 -6.401 -0.424 0.821 1.00 0.00 C ATOM 315 O LYS A 21 -6.582 0.139 -0.247 1.00 0.00 O ATOM 316 CB LYS A 21 -8.316 -0.166 2.386 1.00 0.00 C ATOM 317 CG LYS A 21 -8.625 -1.641 2.244 1.00 0.00 C ATOM 318 CD LYS A 21 -9.979 -1.960 2.807 1.00 0.00 C ATOM 319 CE LYS A 21 -11.072 -1.172 2.093 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.428 -1.533 2.563 1.00 0.00 N ATOM 0 H LYS A 21 -7.359 2.113 1.515 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.256 -0.222 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.577 0.154 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.950 0.395 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.588 -1.925 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.865 -2.227 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.174 -3.028 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.997 -1.729 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.908 -0.106 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.003 -1.351 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.135 -0.971 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.597 -2.544 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.506 -1.338 3.582 1.00 0.00 H new ATOM 334 N VAL A 22 -5.804 -1.578 0.911 1.00 0.00 N ATOM 335 CA VAL A 22 -5.306 -2.268 -0.247 1.00 0.00 C ATOM 336 C VAL A 22 -6.055 -3.567 -0.430 1.00 0.00 C ATOM 337 O VAL A 22 -6.136 -4.382 0.488 1.00 0.00 O ATOM 338 CB VAL A 22 -3.800 -2.560 -0.124 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.279 -3.185 -1.402 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.030 -1.292 0.206 1.00 0.00 C ATOM 0 H VAL A 22 -5.648 -2.069 1.791 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.460 -1.623 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.652 -3.267 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.213 -3.386 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.808 -4.119 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.441 -2.500 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.968 -1.522 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.182 -0.558 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.387 -0.885 1.152 1.00 0.00 H new ATOM 350 N ALA A 23 -6.592 -3.770 -1.609 1.00 0.00 N ATOM 351 CA ALA A 23 -7.367 -4.949 -1.907 1.00 0.00 C ATOM 352 C ALA A 23 -6.879 -5.595 -3.180 1.00 0.00 C ATOM 353 O ALA A 23 -6.766 -4.954 -4.219 1.00 0.00 O ATOM 354 CB ALA A 23 -8.845 -4.606 -2.008 1.00 0.00 C ATOM 0 H ALA A 23 -6.503 -3.120 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.238 -5.661 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.413 -5.508 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.187 -4.189 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.995 -3.875 -2.802 1.00 0.00 H new ATOM 360 N GLY A 24 -6.574 -6.857 -3.101 1.00 0.00 N ATOM 361 CA GLY A 24 -6.093 -7.567 -4.253 1.00 0.00 C ATOM 362 C GLY A 24 -7.114 -8.530 -4.778 1.00 0.00 C ATOM 363 O GLY A 24 -7.889 -9.100 -4.009 1.00 0.00 O ATOM 0 H GLY A 24 -6.649 -7.417 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.829 -6.855 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.183 -8.108 -3.993 1.00 0.00 H new ATOM 367 N GLN A 25 -7.125 -8.731 -6.085 1.00 0.00 N ATOM 368 CA GLN A 25 -8.070 -9.651 -6.723 1.00 0.00 C ATOM 369 C GLN A 25 -7.908 -11.099 -6.215 1.00 0.00 C ATOM 370 O GLN A 25 -8.776 -11.940 -6.414 1.00 0.00 O ATOM 371 CB GLN A 25 -7.956 -9.581 -8.262 1.00 0.00 C ATOM 372 CG GLN A 25 -6.526 -9.446 -8.762 1.00 0.00 C ATOM 373 CD GLN A 25 -5.664 -10.608 -8.355 1.00 0.00 C ATOM 374 OE1 GLN A 25 -6.044 -11.765 -8.505 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.542 -10.308 -7.756 1.00 0.00 N ATOM 0 H GLN A 25 -6.488 -8.269 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.072 -9.328 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.399 -10.479 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.540 -8.734 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.530 -9.364 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.094 -8.523 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.264 -9.332 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.944 -11.050 -7.392 1.00 0.00 H new ATOM 384 N ASP A 26 -6.783 -11.377 -5.553 1.00 0.00 N ATOM 385 CA ASP A 26 -6.510 -12.704 -4.988 1.00 0.00 C ATOM 386 C ASP A 26 -7.321 -12.894 -3.712 1.00 0.00 C ATOM 387 O ASP A 26 -7.460 -13.998 -3.188 1.00 0.00 O ATOM 388 CB ASP A 26 -5.009 -12.847 -4.686 1.00 0.00 C ATOM 389 CG ASP A 26 -4.626 -14.237 -4.194 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.342 -15.112 -5.041 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.596 -14.452 -2.963 1.00 0.00 O ATOM 0 H ASP A 26 -6.040 -10.697 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.797 -13.468 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.440 -12.618 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.724 -12.111 -3.934 1.00 0.00 H new ATOM 396 N GLY A 27 -7.890 -11.805 -3.236 1.00 0.00 N ATOM 397 CA GLY A 27 -8.672 -11.834 -2.012 1.00 0.00 C ATOM 398 C GLY A 27 -7.942 -11.204 -0.845 1.00 0.00 C ATOM 399 O GLY A 27 -8.525 -10.954 0.211 1.00 0.00 O ATOM 0 H GLY A 27 -7.827 -10.887 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.614 -11.310 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.920 -12.867 -1.767 1.00 0.00 H new ATOM 403 N SER A 28 -6.661 -10.946 -1.025 1.00 0.00 N ATOM 404 CA SER A 28 -5.857 -10.324 0.004 1.00 0.00 C ATOM 405 C SER A 28 -6.201 -8.844 0.138 1.00 0.00 C ATOM 406 O SER A 28 -5.995 -8.062 -0.786 1.00 0.00 O ATOM 407 CB SER A 28 -4.379 -10.487 -0.324 1.00 0.00 C ATOM 408 OG SER A 28 -4.030 -11.853 -0.422 1.00 0.00 O ATOM 0 H SER A 28 -6.153 -11.161 -1.883 1.00 0.00 H new ATOM 0 HA SER A 28 -6.071 -10.814 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.153 -9.982 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.776 -10.008 0.448 1.00 0.00 H new ATOM 0 HG SER A 28 -3.077 -11.933 -0.635 1.00 0.00 H new ATOM 414 N VAL A 29 -6.746 -8.461 1.270 1.00 0.00 N ATOM 415 CA VAL A 29 -7.089 -7.078 1.508 1.00 0.00 C ATOM 416 C VAL A 29 -6.786 -6.668 2.955 1.00 0.00 C ATOM 417 O VAL A 29 -7.078 -7.405 3.908 1.00 0.00 O ATOM 418 CB VAL A 29 -8.571 -6.784 1.141 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.515 -7.728 1.846 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.936 -5.343 1.436 1.00 0.00 C ATOM 0 H VAL A 29 -6.962 -9.091 2.043 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.463 -6.473 0.853 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.675 -6.947 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.542 -7.493 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.286 -8.754 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.400 -7.620 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.978 -5.170 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.796 -5.142 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.297 -4.679 0.854 1.00 0.00 H new ATOM 430 N VAL A 30 -6.189 -5.490 3.110 1.00 0.00 N ATOM 431 CA VAL A 30 -5.785 -4.967 4.418 1.00 0.00 C ATOM 432 C VAL A 30 -5.947 -3.445 4.429 1.00 0.00 C ATOM 433 O VAL A 30 -5.842 -2.801 3.387 1.00 0.00 O ATOM 434 CB VAL A 30 -4.299 -5.318 4.757 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.944 -4.877 6.165 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.027 -6.802 4.595 1.00 0.00 C ATOM 0 H VAL A 30 -5.970 -4.867 2.332 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.424 -5.431 5.169 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.671 -4.776 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.906 -5.133 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.077 -3.799 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.594 -5.382 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.985 -7.010 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.676 -7.366 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.224 -7.098 3.565 1.00 0.00 H new ATOM 446 N GLN A 31 -6.206 -2.872 5.591 1.00 0.00 N ATOM 447 CA GLN A 31 -6.385 -1.438 5.711 1.00 0.00 C ATOM 448 C GLN A 31 -5.194 -0.819 6.449 1.00 0.00 C ATOM 449 O GLN A 31 -4.690 -1.380 7.427 1.00 0.00 O ATOM 450 CB GLN A 31 -7.710 -1.135 6.423 1.00 0.00 C ATOM 451 CG GLN A 31 -8.098 0.340 6.446 1.00 0.00 C ATOM 452 CD GLN A 31 -7.472 1.124 7.601 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.206 2.306 7.476 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.260 0.475 8.734 1.00 0.00 N ATOM 0 H GLN A 31 -6.297 -3.382 6.469 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.428 -0.992 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.506 -1.699 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.646 -1.496 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.800 0.799 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.183 0.420 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.494 -0.515 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.863 0.965 9.536 1.00 0.00 H new ATOM 463 N PHE A 32 -4.738 0.333 5.974 1.00 0.00 N ATOM 464 CA PHE A 32 -3.560 1.003 6.541 1.00 0.00 C ATOM 465 C PHE A 32 -3.837 2.485 6.756 1.00 0.00 C ATOM 466 O PHE A 32 -4.778 3.035 6.212 1.00 0.00 O ATOM 467 CB PHE A 32 -2.346 0.866 5.599 1.00 0.00 C ATOM 468 CG PHE A 32 -2.087 -0.531 5.113 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.836 -1.059 4.080 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.098 -1.315 5.688 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.616 -2.331 3.628 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.871 -2.595 5.235 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.631 -3.103 4.204 1.00 0.00 C ATOM 0 H PHE A 32 -5.165 0.831 5.193 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.340 0.525 7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.497 1.515 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.458 1.227 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.608 -0.458 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.502 -0.919 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.213 -2.729 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.099 -3.200 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.454 -4.107 3.847 1.00 0.00 H new ATOM 483 N LYS A 33 -3.004 3.134 7.542 1.00 0.00 N ATOM 484 CA LYS A 33 -3.128 4.562 7.794 1.00 0.00 C ATOM 485 C LYS A 33 -1.768 5.231 7.703 1.00 0.00 C ATOM 486 O LYS A 33 -0.893 4.991 8.533 1.00 0.00 O ATOM 487 CB LYS A 33 -3.739 4.810 9.173 1.00 0.00 C ATOM 488 CG LYS A 33 -5.250 4.655 9.215 1.00 0.00 C ATOM 489 CD LYS A 33 -5.783 4.649 10.642 1.00 0.00 C ATOM 490 CE LYS A 33 -5.277 3.450 11.427 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.823 3.424 12.804 1.00 0.00 N ATOM 0 H LYS A 33 -2.222 2.692 8.025 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.785 4.990 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.293 4.118 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.478 5.817 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.714 5.469 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.533 3.727 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.482 5.567 11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.873 4.638 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.555 2.532 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.188 3.476 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.455 2.592 13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.537 4.288 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.861 3.374 12.765 1.00 0.00 H new ATOM 505 N ILE A 34 -1.577 6.066 6.695 1.00 0.00 N ATOM 506 CA ILE A 34 -0.304 6.755 6.515 1.00 0.00 C ATOM 507 C ILE A 34 -0.515 8.254 6.395 1.00 0.00 C ATOM 508 O ILE A 34 -1.644 8.725 6.238 1.00 0.00 O ATOM 509 CB ILE A 34 0.476 6.250 5.273 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.324 6.494 3.990 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.827 4.774 5.419 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.456 6.202 2.726 1.00 0.00 C ATOM 0 H ILE A 34 -2.282 6.284 5.991 1.00 0.00 H new ATOM 0 HA ILE A 34 0.292 6.533 7.401 1.00 0.00 H new ATOM 0 HB ILE A 34 1.405 6.815 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.220 5.873 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.656 7.532 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.374 4.441 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.447 4.633 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.088 4.191 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.173 6.397 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.338 6.842 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.766 5.157 2.723 1.00 0.00 H new ATOM 524 N LYS A 35 0.563 9.007 6.470 1.00 0.00 N ATOM 525 CA LYS A 35 0.494 10.447 6.385 1.00 0.00 C ATOM 526 C LYS A 35 0.314 10.888 4.928 1.00 0.00 C ATOM 527 O LYS A 35 0.729 10.197 4.007 1.00 0.00 O ATOM 528 CB LYS A 35 1.754 11.060 7.002 1.00 0.00 C ATOM 529 CG LYS A 35 1.529 12.403 7.667 1.00 0.00 C ATOM 530 CD LYS A 35 1.891 13.564 6.763 1.00 0.00 C ATOM 531 CE LYS A 35 1.730 14.900 7.483 1.00 0.00 C ATOM 532 NZ LYS A 35 2.595 15.001 8.685 1.00 0.00 N ATOM 0 H LYS A 35 1.506 8.638 6.591 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.371 10.802 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.159 10.366 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.508 11.174 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.483 12.488 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.123 12.458 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.920 13.454 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.258 13.548 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.970 15.711 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.688 15.029 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.883 15.991 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.068 14.674 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.440 14.409 8.555 1.00 0.00 H new ATOM 546 N ARG A 36 -0.307 12.051 4.728 1.00 0.00 N ATOM 547 CA ARG A 36 -0.594 12.585 3.390 1.00 0.00 C ATOM 548 C ARG A 36 0.691 12.826 2.575 1.00 0.00 C ATOM 549 O ARG A 36 0.661 12.867 1.348 1.00 0.00 O ATOM 550 CB ARG A 36 -1.399 13.889 3.511 1.00 0.00 C ATOM 551 CG ARG A 36 -1.842 14.490 2.183 1.00 0.00 C ATOM 552 CD ARG A 36 -2.966 13.688 1.538 1.00 0.00 C ATOM 553 NE ARG A 36 -4.244 13.873 2.232 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.451 13.783 1.646 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.554 13.446 0.361 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.548 14.014 2.350 1.00 0.00 N ATOM 0 H ARG A 36 -0.627 12.652 5.488 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.182 11.840 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.282 13.699 4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.796 14.624 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.174 15.516 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.991 14.533 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.073 13.988 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.703 12.630 1.539 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.216 14.085 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.714 13.254 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.473 13.380 -0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.478 14.260 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.463 13.946 1.905 1.00 0.00 H new ATOM 570 N HIS A 37 1.826 12.968 3.254 1.00 0.00 N ATOM 571 CA HIS A 37 3.101 13.208 2.572 1.00 0.00 C ATOM 572 C HIS A 37 3.951 11.949 2.596 1.00 0.00 C ATOM 573 O HIS A 37 5.053 11.913 2.052 1.00 0.00 O ATOM 574 CB HIS A 37 3.879 14.357 3.233 1.00 0.00 C ATOM 575 CG HIS A 37 3.242 15.710 3.097 1.00 0.00 C ATOM 576 ND1 HIS A 37 3.242 16.644 4.110 1.00 0.00 N ATOM 577 CD2 HIS A 37 2.608 16.295 2.052 1.00 0.00 C ATOM 578 CE1 HIS A 37 2.635 17.738 3.698 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.242 17.556 2.455 1.00 0.00 N ATOM 0 H HIS A 37 1.893 12.922 4.271 1.00 0.00 H new ATOM 0 HA HIS A 37 2.880 13.485 1.541 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.999 14.133 4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.878 14.396 2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.425 15.853 1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.485 18.634 4.282 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.746 18.240 1.884 1.00 0.00 H new ATOM 588 N THR A 38 3.439 10.919 3.233 1.00 0.00 N ATOM 589 CA THR A 38 4.138 9.664 3.350 1.00 0.00 C ATOM 590 C THR A 38 3.945 8.819 2.089 1.00 0.00 C ATOM 591 O THR A 38 2.829 8.673 1.604 1.00 0.00 O ATOM 592 CB THR A 38 3.650 8.888 4.596 1.00 0.00 C ATOM 593 OG1 THR A 38 4.133 9.527 5.785 1.00 0.00 O ATOM 594 CG2 THR A 38 4.111 7.441 4.562 1.00 0.00 C ATOM 0 H THR A 38 2.524 10.931 3.684 1.00 0.00 H new ATOM 0 HA THR A 38 5.201 9.874 3.465 1.00 0.00 H new ATOM 0 HB THR A 38 2.560 8.894 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.820 9.033 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.752 6.924 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.713 6.953 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.200 7.407 4.538 1.00 0.00 H new ATOM 602 N PRO A 39 5.041 8.266 1.541 1.00 0.00 N ATOM 603 CA PRO A 39 4.992 7.448 0.328 1.00 0.00 C ATOM 604 C PRO A 39 4.230 6.142 0.540 1.00 0.00 C ATOM 605 O PRO A 39 4.252 5.552 1.633 1.00 0.00 O ATOM 606 CB PRO A 39 6.468 7.166 0.023 1.00 0.00 C ATOM 607 CG PRO A 39 7.162 7.325 1.331 1.00 0.00 C ATOM 608 CD PRO A 39 6.411 8.392 2.069 1.00 0.00 C ATOM 0 HA PRO A 39 4.468 7.955 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.605 6.162 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.859 7.862 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.161 6.389 1.890 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.204 7.609 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.443 8.235 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.826 9.382 1.879 1.00 0.00 H new ATOM 616 N LEU A 40 3.569 5.674 -0.510 1.00 0.00 N ATOM 617 CA LEU A 40 2.774 4.459 -0.451 1.00 0.00 C ATOM 618 C LEU A 40 3.631 3.230 -0.197 1.00 0.00 C ATOM 619 O LEU A 40 3.117 2.179 0.171 1.00 0.00 O ATOM 620 CB LEU A 40 1.958 4.273 -1.726 1.00 0.00 C ATOM 621 CG LEU A 40 0.995 5.412 -2.075 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.079 5.001 -3.204 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.181 5.831 -0.861 1.00 0.00 C ATOM 0 H LEU A 40 3.570 6.126 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 40 2.091 4.571 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.647 4.138 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.383 3.352 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 40 1.588 6.268 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.599 5.821 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.673 4.757 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.499 4.127 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.494 6.641 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.400 4.981 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.852 6.171 -0.073 1.00 0.00 H new ATOM 635 N SER A 41 4.944 3.363 -0.396 1.00 0.00 N ATOM 636 CA SER A 41 5.885 2.261 -0.195 1.00 0.00 C ATOM 637 C SER A 41 5.669 1.595 1.162 1.00 0.00 C ATOM 638 O SER A 41 5.742 0.370 1.280 1.00 0.00 O ATOM 639 CB SER A 41 7.333 2.771 -0.304 1.00 0.00 C ATOM 640 OG SER A 41 8.267 1.698 -0.290 1.00 0.00 O ATOM 0 H SER A 41 5.382 4.233 -0.699 1.00 0.00 H new ATOM 0 HA SER A 41 5.706 1.519 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.450 3.344 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.544 3.449 0.523 1.00 0.00 H new ATOM 0 HG SER A 41 9.177 2.055 -0.362 1.00 0.00 H new ATOM 646 N LYS A 42 5.378 2.397 2.186 1.00 0.00 N ATOM 647 CA LYS A 42 5.163 1.871 3.528 1.00 0.00 C ATOM 648 C LYS A 42 4.058 0.823 3.554 1.00 0.00 C ATOM 649 O LYS A 42 4.266 -0.295 4.020 1.00 0.00 O ATOM 650 CB LYS A 42 4.837 3.009 4.507 1.00 0.00 C ATOM 651 CG LYS A 42 5.987 3.996 4.739 1.00 0.00 C ATOM 652 CD LYS A 42 6.939 3.542 5.859 1.00 0.00 C ATOM 653 CE LYS A 42 7.621 2.217 5.541 1.00 0.00 C ATOM 654 NZ LYS A 42 8.617 1.836 6.571 1.00 0.00 N ATOM 0 H LYS A 42 5.287 3.410 2.109 1.00 0.00 H new ATOM 0 HA LYS A 42 6.088 1.387 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.974 3.558 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.548 2.576 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.551 4.115 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.577 4.974 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.697 4.308 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.380 3.446 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.868 1.433 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.113 2.288 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.055 0.929 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.351 2.570 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.145 1.742 7.493 1.00 0.00 H new ATOM 668 N LEU A 43 2.887 1.168 3.036 1.00 0.00 N ATOM 669 CA LEU A 43 1.775 0.230 3.014 1.00 0.00 C ATOM 670 C LEU A 43 1.960 -0.819 1.935 1.00 0.00 C ATOM 671 O LEU A 43 1.541 -1.960 2.088 1.00 0.00 O ATOM 672 CB LEU A 43 0.410 0.948 2.877 1.00 0.00 C ATOM 673 CG LEU A 43 0.176 1.835 1.633 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.077 1.001 0.380 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.992 2.757 1.878 1.00 0.00 C ATOM 0 H LEU A 43 2.684 2.081 2.629 1.00 0.00 H new ATOM 0 HA LEU A 43 1.769 -0.281 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.370 0.187 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.270 1.570 3.761 1.00 0.00 H new ATOM 0 HG LEU A 43 1.081 2.419 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.237 1.663 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.786 0.363 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.961 0.381 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.154 3.381 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.887 2.166 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.781 3.391 2.739 1.00 0.00 H new ATOM 687 N MET A 44 2.598 -0.426 0.841 1.00 0.00 N ATOM 688 CA MET A 44 2.801 -1.310 -0.293 1.00 0.00 C ATOM 689 C MET A 44 3.627 -2.523 0.106 1.00 0.00 C ATOM 690 O MET A 44 3.244 -3.661 -0.154 1.00 0.00 O ATOM 691 CB MET A 44 3.469 -0.547 -1.440 1.00 0.00 C ATOM 692 CG MET A 44 3.334 -1.221 -2.791 1.00 0.00 C ATOM 693 SD MET A 44 3.986 -0.220 -4.141 1.00 0.00 S ATOM 694 CE MET A 44 2.831 1.154 -4.122 1.00 0.00 C ATOM 0 H MET A 44 2.986 0.509 0.717 1.00 0.00 H new ATOM 0 HA MET A 44 1.829 -1.668 -0.633 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.036 0.452 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.528 -0.423 -1.212 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.857 -2.177 -2.769 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.283 -1.437 -2.980 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.796 1.614 -5.110 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.838 0.791 -3.855 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.156 1.893 -3.389 1.00 0.00 H new ATOM 704 N LYS A 45 4.757 -2.286 0.754 1.00 0.00 N ATOM 705 CA LYS A 45 5.603 -3.371 1.215 1.00 0.00 C ATOM 706 C LYS A 45 4.932 -4.106 2.383 1.00 0.00 C ATOM 707 O LYS A 45 4.942 -5.332 2.443 1.00 0.00 O ATOM 708 CB LYS A 45 6.976 -2.844 1.650 1.00 0.00 C ATOM 709 CG LYS A 45 7.706 -2.019 0.593 1.00 0.00 C ATOM 710 CD LYS A 45 8.204 -2.879 -0.556 1.00 0.00 C ATOM 711 CE LYS A 45 9.284 -3.858 -0.112 1.00 0.00 C ATOM 712 NZ LYS A 45 10.497 -3.164 0.387 1.00 0.00 N ATOM 0 H LYS A 45 5.107 -1.353 0.971 1.00 0.00 H new ATOM 0 HA LYS A 45 5.745 -4.067 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.849 -2.234 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.604 -3.691 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.037 -1.250 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.550 -1.505 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.368 -3.432 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.598 -2.238 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.888 -4.503 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.554 -4.503 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.278 -3.846 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.764 -2.410 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.300 -2.749 1.320 1.00 0.00 H new ATOM 726 N ALA A 46 4.310 -3.341 3.291 1.00 0.00 N ATOM 727 CA ALA A 46 3.661 -3.906 4.485 1.00 0.00 C ATOM 728 C ALA A 46 2.564 -4.887 4.109 1.00 0.00 C ATOM 729 O ALA A 46 2.470 -5.984 4.669 1.00 0.00 O ATOM 730 CB ALA A 46 3.090 -2.799 5.356 1.00 0.00 C ATOM 0 H ALA A 46 4.242 -2.326 3.222 1.00 0.00 H new ATOM 0 HA ALA A 46 4.422 -4.446 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.614 -3.236 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.893 -2.134 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.352 -2.233 4.788 1.00 0.00 H new ATOM 736 N TYR A 47 1.729 -4.489 3.164 1.00 0.00 N ATOM 737 CA TYR A 47 0.638 -5.319 2.673 1.00 0.00 C ATOM 738 C TYR A 47 1.152 -6.659 2.178 1.00 0.00 C ATOM 739 O TYR A 47 0.666 -7.707 2.583 1.00 0.00 O ATOM 740 CB TYR A 47 -0.105 -4.576 1.546 1.00 0.00 C ATOM 741 CG TYR A 47 -1.003 -5.447 0.689 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.326 -5.682 1.041 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.525 -6.022 -0.484 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.145 -6.462 0.250 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.334 -6.802 -1.277 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.641 -7.021 -0.910 1.00 0.00 C ATOM 747 OH TYR A 47 -3.449 -7.795 -1.708 1.00 0.00 O ATOM 0 H TYR A 47 1.788 -3.576 2.712 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.052 -5.512 3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.708 -3.784 1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.631 -4.094 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.720 -5.248 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.500 -5.853 -0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.172 -6.635 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.944 -7.241 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.385 -7.671 -1.444 1.00 0.00 H new ATOM 757 N CYS A 48 2.148 -6.624 1.328 1.00 0.00 N ATOM 758 CA CYS A 48 2.704 -7.833 0.757 1.00 0.00 C ATOM 759 C CYS A 48 3.334 -8.711 1.833 1.00 0.00 C ATOM 760 O CYS A 48 3.229 -9.932 1.794 1.00 0.00 O ATOM 761 CB CYS A 48 3.719 -7.460 -0.296 1.00 0.00 C ATOM 762 SG CYS A 48 3.086 -6.289 -1.500 1.00 0.00 S ATOM 0 H CYS A 48 2.596 -5.764 1.012 1.00 0.00 H new ATOM 0 HA CYS A 48 1.902 -8.411 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.597 -7.034 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.046 -8.362 -0.813 1.00 0.00 H new ATOM 0 HG CYS A 48 4.069 -5.585 -1.979 1.00 0.00 H new ATOM 768 N GLU A 49 3.968 -8.085 2.808 1.00 0.00 N ATOM 769 CA GLU A 49 4.590 -8.796 3.910 1.00 0.00 C ATOM 770 C GLU A 49 3.565 -9.571 4.731 1.00 0.00 C ATOM 771 O GLU A 49 3.808 -10.706 5.140 1.00 0.00 O ATOM 772 CB GLU A 49 5.329 -7.809 4.799 1.00 0.00 C ATOM 773 CG GLU A 49 6.575 -7.244 4.165 1.00 0.00 C ATOM 774 CD GLU A 49 7.700 -8.252 4.104 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.482 -8.331 5.072 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.807 -8.977 3.090 1.00 0.00 O ATOM 0 H GLU A 49 4.066 -7.071 2.858 1.00 0.00 H new ATOM 0 HA GLU A 49 5.293 -9.518 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.658 -6.989 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.598 -8.304 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.343 -6.902 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.903 -6.372 4.730 1.00 0.00 H new ATOM 783 N ARG A 50 2.412 -8.972 4.959 1.00 0.00 N ATOM 784 CA ARG A 50 1.382 -9.591 5.775 1.00 0.00 C ATOM 785 C ARG A 50 0.461 -10.488 4.944 1.00 0.00 C ATOM 786 O ARG A 50 -0.185 -11.387 5.472 1.00 0.00 O ATOM 787 CB ARG A 50 0.573 -8.508 6.506 1.00 0.00 C ATOM 788 CG ARG A 50 -0.054 -7.480 5.580 1.00 0.00 C ATOM 789 CD ARG A 50 -0.567 -6.269 6.337 1.00 0.00 C ATOM 790 NE ARG A 50 0.498 -5.580 7.078 1.00 0.00 N ATOM 791 CZ ARG A 50 0.286 -4.618 7.988 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.956 -4.268 8.319 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.317 -4.023 8.581 1.00 0.00 N ATOM 0 H ARG A 50 2.163 -8.054 4.590 1.00 0.00 H new ATOM 0 HA ARG A 50 1.872 -10.228 6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.214 -8.987 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.225 -7.996 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.682 -7.161 4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.876 -7.940 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.027 -5.573 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.346 -6.582 7.032 1.00 0.00 H new ATOM 0 HE ARG A 50 1.463 -5.851 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.751 -4.732 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.112 -3.536 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.270 -4.298 8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.155 -3.291 9.273 1.00 0.00 H new ATOM 807 N GLN A 51 0.405 -10.251 3.641 1.00 0.00 N ATOM 808 CA GLN A 51 -0.460 -11.034 2.764 1.00 0.00 C ATOM 809 C GLN A 51 0.287 -12.168 2.088 1.00 0.00 C ATOM 810 O GLN A 51 -0.318 -13.055 1.487 1.00 0.00 O ATOM 811 CB GLN A 51 -1.141 -10.141 1.729 1.00 0.00 C ATOM 812 CG GLN A 51 -2.124 -9.169 2.352 1.00 0.00 C ATOM 813 CD GLN A 51 -3.096 -9.868 3.277 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.172 -10.289 2.868 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.712 -10.002 4.530 1.00 0.00 N ATOM 0 H GLN A 51 0.945 -9.527 3.168 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.229 -11.483 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.382 -9.583 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.663 -10.765 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.578 -8.406 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.676 -8.656 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.808 -9.636 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.319 -10.471 5.202 1.00 0.00 H new ATOM 824 N GLY A 52 1.604 -12.150 2.189 1.00 0.00 N ATOM 825 CA GLY A 52 2.414 -13.196 1.584 1.00 0.00 C ATOM 826 C GLY A 52 2.706 -12.936 0.117 1.00 0.00 C ATOM 827 O GLY A 52 3.259 -13.790 -0.585 1.00 0.00 O ATOM 0 H GLY A 52 2.134 -11.429 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.355 -13.282 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.900 -14.152 1.684 1.00 0.00 H new ATOM 831 N LEU A 53 2.326 -11.764 -0.360 1.00 0.00 N ATOM 832 CA LEU A 53 2.538 -11.392 -1.753 1.00 0.00 C ATOM 833 C LEU A 53 3.934 -10.866 -1.997 1.00 0.00 C ATOM 834 O LEU A 53 4.604 -10.368 -1.091 1.00 0.00 O ATOM 835 CB LEU A 53 1.506 -10.356 -2.206 1.00 0.00 C ATOM 836 CG LEU A 53 0.228 -10.913 -2.836 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.377 -11.982 -1.962 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.768 -9.801 -3.075 1.00 0.00 C ATOM 0 H LEU A 53 1.865 -11.046 0.200 1.00 0.00 H new ATOM 0 HA LEU A 53 2.415 -12.301 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.228 -9.749 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.981 -9.689 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 53 0.487 -11.362 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.285 -12.364 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.337 -12.796 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.621 -11.560 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.672 -10.213 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.018 -9.326 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.333 -9.062 -3.748 1.00 0.00 H new ATOM 850 N SER A 54 4.378 -10.987 -3.224 1.00 0.00 N ATOM 851 CA SER A 54 5.680 -10.513 -3.618 1.00 0.00 C ATOM 852 C SER A 54 5.565 -9.244 -4.450 1.00 0.00 C ATOM 853 O SER A 54 4.788 -9.181 -5.393 1.00 0.00 O ATOM 854 CB SER A 54 6.391 -11.591 -4.399 1.00 0.00 C ATOM 855 OG SER A 54 6.835 -12.633 -3.545 1.00 0.00 O ATOM 0 H SER A 54 3.844 -11.418 -3.979 1.00 0.00 H new ATOM 0 HA SER A 54 6.255 -10.276 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.721 -11.998 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.243 -11.161 -4.926 1.00 0.00 H new ATOM 0 HG SER A 54 7.291 -13.319 -4.076 1.00 0.00 H new ATOM 861 N MET A 55 6.373 -8.246 -4.110 1.00 0.00 N ATOM 862 CA MET A 55 6.342 -6.933 -4.772 1.00 0.00 C ATOM 863 C MET A 55 6.542 -7.036 -6.290 1.00 0.00 C ATOM 864 O MET A 55 5.999 -6.245 -7.047 1.00 0.00 O ATOM 865 CB MET A 55 7.428 -6.015 -4.186 1.00 0.00 C ATOM 866 CG MET A 55 7.426 -5.903 -2.673 1.00 0.00 C ATOM 867 SD MET A 55 5.954 -5.100 -2.025 1.00 0.00 S ATOM 868 CE MET A 55 5.937 -3.575 -2.966 1.00 0.00 C ATOM 0 H MET A 55 7.070 -8.317 -3.369 1.00 0.00 H new ATOM 0 HA MET A 55 5.352 -6.514 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.403 -6.381 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.307 -5.018 -4.609 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.508 -6.900 -2.241 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.307 -5.345 -2.355 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.729 -2.738 -2.299 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.908 -3.429 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.164 -3.629 -3.732 1.00 0.00 H new ATOM 878 N ARG A 56 7.342 -8.002 -6.737 1.00 0.00 N ATOM 879 CA ARG A 56 7.608 -8.149 -8.173 1.00 0.00 C ATOM 880 C ARG A 56 6.527 -8.964 -8.863 1.00 0.00 C ATOM 881 O ARG A 56 6.293 -8.821 -10.058 1.00 0.00 O ATOM 882 CB ARG A 56 8.980 -8.774 -8.433 1.00 0.00 C ATOM 883 CG ARG A 56 10.124 -8.065 -7.739 1.00 0.00 C ATOM 884 CD ARG A 56 10.499 -8.773 -6.457 1.00 0.00 C ATOM 885 NE ARG A 56 11.137 -10.061 -6.727 1.00 0.00 N ATOM 886 CZ ARG A 56 12.118 -10.599 -5.997 1.00 0.00 C ATOM 887 NH1 ARG A 56 12.615 -9.949 -4.950 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.601 -11.789 -6.326 1.00 0.00 N ATOM 0 H ARG A 56 7.811 -8.685 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 56 7.603 -7.144 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.961 -9.814 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.168 -8.779 -9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.988 -8.024 -8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.840 -7.035 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.175 -8.145 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.607 -8.927 -5.850 1.00 0.00 H new ATOM 0 HE ARG A 56 10.808 -10.589 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.248 -9.032 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.364 -10.368 -4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.224 -12.288 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.350 -12.206 -5.773 1.00 0.00 H new ATOM 902 N GLN A 57 5.864 -9.824 -8.112 1.00 0.00 N ATOM 903 CA GLN A 57 4.822 -10.670 -8.673 1.00 0.00 C ATOM 904 C GLN A 57 3.505 -9.947 -8.704 1.00 0.00 C ATOM 905 O GLN A 57 2.597 -10.306 -9.450 1.00 0.00 O ATOM 906 CB GLN A 57 4.691 -11.990 -7.898 1.00 0.00 C ATOM 907 CG GLN A 57 5.707 -13.043 -8.291 1.00 0.00 C ATOM 908 CD GLN A 57 6.985 -12.921 -7.519 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.173 -13.573 -6.501 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.854 -12.064 -7.971 1.00 0.00 N ATOM 0 H GLN A 57 6.027 -9.956 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 57 5.111 -10.909 -9.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.791 -11.784 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.690 -12.392 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.281 -14.033 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.920 -12.958 -9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.658 -11.541 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.731 -11.916 -7.472 1.00 0.00 H new ATOM 919 N ILE A 58 3.391 -8.919 -7.904 1.00 0.00 N ATOM 920 CA ILE A 58 2.168 -8.167 -7.841 1.00 0.00 C ATOM 921 C ILE A 58 2.386 -6.736 -8.298 1.00 0.00 C ATOM 922 O ILE A 58 3.508 -6.324 -8.574 1.00 0.00 O ATOM 923 CB ILE A 58 1.585 -8.168 -6.418 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.333 -7.188 -5.521 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.667 -9.572 -5.836 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.627 -6.925 -4.222 1.00 0.00 C ATOM 0 H ILE A 58 4.131 -8.584 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 58 1.457 -8.651 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 58 0.543 -7.853 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.329 -7.581 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.466 -6.246 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.254 -9.572 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.098 -10.259 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.709 -9.891 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.209 -6.220 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.642 -6.504 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.517 -7.860 -3.672 1.00 0.00 H new ATOM 938 N ARG A 59 1.314 -5.983 -8.384 1.00 0.00 N ATOM 939 CA ARG A 59 1.388 -4.604 -8.778 1.00 0.00 C ATOM 940 C ARG A 59 0.213 -3.843 -8.196 1.00 0.00 C ATOM 941 O ARG A 59 -0.916 -4.346 -8.163 1.00 0.00 O ATOM 942 CB ARG A 59 1.395 -4.478 -10.298 1.00 0.00 C ATOM 943 CG ARG A 59 1.908 -3.139 -10.810 1.00 0.00 C ATOM 944 CD ARG A 59 3.393 -2.967 -10.514 1.00 0.00 C ATOM 945 NE ARG A 59 4.225 -3.939 -11.241 1.00 0.00 N ATOM 946 CZ ARG A 59 5.337 -4.508 -10.745 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.718 -4.254 -9.499 1.00 0.00 N ATOM 948 NH2 ARG A 59 6.059 -5.333 -11.492 1.00 0.00 N ATOM 0 H ARG A 59 0.370 -6.313 -8.182 1.00 0.00 H new ATOM 0 HA ARG A 59 2.316 -4.180 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.012 -5.274 -10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.382 -4.632 -10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.738 -3.069 -11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.346 -2.329 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.700 -1.956 -10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.563 -3.077 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 59 3.938 -4.198 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.166 -3.625 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.562 -4.687 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.771 -5.539 -12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.902 -5.762 -11.110 1.00 0.00 H new ATOM 962 N PHE A 60 0.479 -2.647 -7.719 1.00 0.00 N ATOM 963 CA PHE A 60 -0.543 -1.799 -7.140 1.00 0.00 C ATOM 964 C PHE A 60 -1.123 -0.871 -8.200 1.00 0.00 C ATOM 965 O PHE A 60 -0.391 -0.318 -9.020 1.00 0.00 O ATOM 966 CB PHE A 60 0.057 -0.970 -6.003 1.00 0.00 C ATOM 967 CG PHE A 60 0.154 -1.687 -4.683 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.801 -2.909 -4.572 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.404 -1.127 -3.547 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.882 -3.553 -3.353 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.325 -1.765 -2.333 1.00 0.00 C ATOM 972 CZ PHE A 60 0.317 -2.980 -2.234 1.00 0.00 C ATOM 0 H PHE A 60 1.411 -2.233 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.341 -2.429 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.054 -0.643 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.546 -0.072 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.245 -3.361 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.909 -0.175 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.387 -4.504 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.766 -1.314 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.377 -3.483 -1.280 1.00 0.00 H new ATOM 982 N ARG A 61 -2.432 -0.707 -8.202 1.00 0.00 N ATOM 983 CA ARG A 61 -3.083 0.175 -9.156 1.00 0.00 C ATOM 984 C ARG A 61 -4.163 1.018 -8.484 1.00 0.00 C ATOM 985 O ARG A 61 -4.912 0.538 -7.634 1.00 0.00 O ATOM 986 CB ARG A 61 -3.691 -0.633 -10.307 1.00 0.00 C ATOM 987 CG ARG A 61 -4.502 0.207 -11.284 1.00 0.00 C ATOM 988 CD ARG A 61 -5.123 -0.637 -12.377 1.00 0.00 C ATOM 989 NE ARG A 61 -4.122 -1.225 -13.270 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.420 -1.786 -14.447 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.677 -1.777 -14.886 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.464 -2.334 -15.190 1.00 0.00 N ATOM 0 H ARG A 61 -3.067 -1.173 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.324 0.848 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.890 -1.134 -10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.331 -1.412 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.287 0.735 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.859 0.964 -11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.714 -1.433 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.809 -0.023 -12.960 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.145 -1.206 -12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.410 -1.343 -14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.907 -2.204 -15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.498 -2.328 -14.863 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.697 -2.761 -16.087 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.236 2.282 -8.867 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.229 3.196 -8.343 1.00 0.00 C ATOM 1008 C PHE A 62 -5.562 4.242 -9.395 1.00 0.00 C ATOM 1009 O PHE A 62 -4.693 4.654 -10.153 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.718 3.876 -7.067 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.718 4.804 -6.448 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.714 4.313 -5.633 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.664 6.169 -6.686 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.642 5.159 -5.069 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.586 7.020 -6.124 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.577 6.517 -5.314 1.00 0.00 C ATOM 0 H PHE A 62 -3.606 2.701 -9.551 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.129 2.634 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.445 3.111 -6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.811 4.434 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.767 3.253 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.887 6.569 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.421 4.761 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.532 8.081 -6.318 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.303 7.182 -4.870 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.833 4.646 -9.463 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.303 5.666 -10.424 1.00 0.00 C ATOM 1028 C ASP A 63 -7.212 5.131 -11.837 1.00 0.00 C ATOM 1029 O ASP A 63 -7.131 5.878 -12.810 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.473 6.946 -10.301 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.193 8.168 -10.844 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.205 8.594 -10.234 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -6.750 8.717 -11.882 1.00 0.00 O ATOM 0 H ASP A 63 -7.569 4.281 -8.858 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.343 5.900 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.223 7.113 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.532 6.817 -10.836 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.238 3.823 -11.952 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.146 3.198 -13.239 1.00 0.00 C ATOM 1040 C GLY A 64 -5.720 3.102 -13.732 1.00 0.00 C ATOM 1041 O GLY A 64 -5.459 2.535 -14.792 1.00 0.00 O ATOM 0 H GLY A 64 -7.322 3.177 -11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.577 2.198 -13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.739 3.764 -13.958 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.774 3.634 -12.965 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.381 3.593 -13.376 1.00 0.00 C ATOM 1047 C GLN A 65 -2.526 2.881 -12.331 1.00 0.00 C ATOM 1048 O GLN A 65 -2.772 3.000 -11.133 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.840 5.003 -13.629 1.00 0.00 C ATOM 1050 CG GLN A 65 -2.947 5.926 -12.436 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.070 7.151 -12.562 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -1.817 7.649 -13.661 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -1.583 7.629 -11.439 1.00 0.00 N ATOM 0 H GLN A 65 -4.945 4.091 -12.069 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.328 3.032 -14.309 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.794 4.932 -13.928 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.381 5.444 -14.466 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.984 6.238 -12.316 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.672 5.379 -11.534 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.819 7.185 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.969 8.444 -11.455 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.533 2.099 -12.768 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.619 1.427 -11.853 1.00 0.00 C ATOM 1064 C PRO A 66 0.237 2.442 -11.097 1.00 0.00 C ATOM 1065 O PRO A 66 0.705 3.429 -11.668 1.00 0.00 O ATOM 1066 CB PRO A 66 0.246 0.555 -12.772 1.00 0.00 C ATOM 1067 CG PRO A 66 0.126 1.177 -14.120 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.235 1.803 -14.178 1.00 0.00 C ATOM 0 HA PRO A 66 -1.137 0.846 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.283 0.537 -12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.104 -0.477 -12.781 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.904 1.925 -14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.243 0.429 -14.904 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.236 2.707 -14.787 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.971 1.126 -14.611 1.00 0.00 H new ATOM 1076 N ILE A 67 0.435 2.209 -9.821 1.00 0.00 N ATOM 1077 CA ILE A 67 1.193 3.121 -8.985 1.00 0.00 C ATOM 1078 C ILE A 67 2.493 2.488 -8.538 1.00 0.00 C ATOM 1079 O ILE A 67 2.736 1.297 -8.768 1.00 0.00 O ATOM 1080 CB ILE A 67 0.381 3.583 -7.754 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.204 2.378 -7.009 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.717 4.548 -8.179 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.048 2.743 -5.807 1.00 0.00 C ATOM 0 H ILE A 67 0.079 1.388 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 67 1.415 4.000 -9.591 1.00 0.00 H new ATOM 0 HB ILE A 67 1.050 4.106 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.811 1.796 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.613 1.734 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.281 4.866 -7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.270 5.419 -8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.386 4.051 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.424 1.834 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.441 3.298 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.888 3.360 -6.126 1.00 0.00 H new ATOM 1095 N ASN A 68 3.328 3.267 -7.896 1.00 0.00 N ATOM 1096 CA ASN A 68 4.623 2.805 -7.462 1.00 0.00 C ATOM 1097 C ASN A 68 4.903 3.202 -6.045 1.00 0.00 C ATOM 1098 O ASN A 68 4.355 4.163 -5.543 1.00 0.00 O ATOM 1099 CB ASN A 68 5.746 3.320 -8.370 1.00 0.00 C ATOM 1100 CG ASN A 68 5.559 4.745 -8.897 1.00 0.00 C ATOM 1101 OD1 ASN A 68 6.005 5.064 -9.997 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.926 5.608 -8.124 1.00 0.00 N ATOM 0 H ASN A 68 3.129 4.239 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 68 4.598 1.717 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.686 3.274 -7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.841 2.645 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.795 6.571 -8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.567 5.312 -7.216 1.00 0.00 H new ATOM 1109 N GLU A 69 5.805 2.485 -5.413 1.00 0.00 N ATOM 1110 CA GLU A 69 6.172 2.731 -4.027 1.00 0.00 C ATOM 1111 C GLU A 69 6.740 4.144 -3.832 1.00 0.00 C ATOM 1112 O GLU A 69 6.878 4.620 -2.709 1.00 0.00 O ATOM 1113 CB GLU A 69 7.194 1.688 -3.577 1.00 0.00 C ATOM 1114 CG GLU A 69 8.531 1.794 -4.290 1.00 0.00 C ATOM 1115 CD GLU A 69 9.517 0.751 -3.830 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.752 0.645 -2.610 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.081 0.038 -4.685 1.00 0.00 O ATOM 0 H GLU A 69 6.310 1.710 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 69 5.271 2.652 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.356 1.790 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.782 0.693 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.375 1.693 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.951 2.785 -4.121 1.00 0.00 H new ATOM 1124 N THR A 70 7.040 4.822 -4.928 1.00 0.00 N ATOM 1125 CA THR A 70 7.624 6.136 -4.859 1.00 0.00 C ATOM 1126 C THR A 70 6.576 7.234 -5.102 1.00 0.00 C ATOM 1127 O THR A 70 6.919 8.409 -5.281 1.00 0.00 O ATOM 1128 CB THR A 70 8.799 6.283 -5.862 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.478 7.526 -5.654 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.309 6.207 -7.300 1.00 0.00 C ATOM 0 H THR A 70 6.885 4.476 -5.875 1.00 0.00 H new ATOM 0 HA THR A 70 8.015 6.259 -3.849 1.00 0.00 H new ATOM 0 HB THR A 70 9.489 5.458 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.824 8.225 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.155 6.313 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.826 5.244 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.594 7.009 -7.484 1.00 0.00 H new ATOM 1138 N ASP A 71 5.296 6.871 -5.103 1.00 0.00 N ATOM 1139 CA ASP A 71 4.249 7.870 -5.273 1.00 0.00 C ATOM 1140 C ASP A 71 3.664 8.234 -3.913 1.00 0.00 C ATOM 1141 O ASP A 71 3.785 7.470 -2.939 1.00 0.00 O ATOM 1142 CB ASP A 71 3.143 7.402 -6.256 1.00 0.00 C ATOM 1143 CG ASP A 71 2.009 6.642 -5.610 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.099 7.292 -5.056 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.014 5.402 -5.692 1.00 0.00 O ATOM 0 H ASP A 71 4.965 5.913 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 71 4.697 8.758 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.735 8.275 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.597 6.771 -7.020 1.00 0.00 H new ATOM 1150 N THR A 72 3.070 9.404 -3.824 1.00 0.00 N ATOM 1151 CA THR A 72 2.500 9.870 -2.585 1.00 0.00 C ATOM 1152 C THR A 72 0.997 10.088 -2.731 1.00 0.00 C ATOM 1153 O THR A 72 0.526 10.479 -3.806 1.00 0.00 O ATOM 1154 CB THR A 72 3.172 11.182 -2.128 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.105 12.156 -3.183 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.628 10.941 -1.765 1.00 0.00 C ATOM 0 H THR A 72 2.970 10.053 -4.604 1.00 0.00 H new ATOM 0 HA THR A 72 2.676 9.103 -1.830 1.00 0.00 H new ATOM 0 HB THR A 72 2.643 11.550 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.531 12.988 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.083 11.878 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.685 10.215 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.161 10.557 -2.635 1.00 0.00 H new ATOM 1164 N PRO A 73 0.219 9.876 -1.645 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.242 10.015 -1.677 1.00 0.00 C ATOM 1166 C PRO A 73 -1.681 11.436 -2.023 1.00 0.00 C ATOM 1167 O PRO A 73 -2.811 11.668 -2.442 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.676 9.653 -0.248 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.456 9.848 0.584 1.00 0.00 C ATOM 1170 CD PRO A 73 0.701 9.492 -0.304 1.00 0.00 C ATOM 0 HA PRO A 73 -1.691 9.382 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.492 10.292 0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.032 8.624 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.380 10.878 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.480 9.213 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.604 10.036 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.940 8.430 -0.250 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.778 12.384 -1.866 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.074 13.777 -2.157 1.00 0.00 C ATOM 1180 C ALA A 74 -0.851 14.091 -3.630 1.00 0.00 C ATOM 1181 O ALA A 74 -1.311 15.112 -4.141 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.218 14.688 -1.297 1.00 0.00 C ATOM 0 H ALA A 74 0.173 12.216 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.125 13.951 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.450 15.728 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.423 14.493 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.835 14.498 -1.502 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.148 13.211 -4.318 1.00 0.00 N ATOM 1189 CA GLN A 75 0.163 13.413 -5.716 1.00 0.00 C ATOM 1190 C GLN A 75 -1.007 12.986 -6.587 1.00 0.00 C ATOM 1191 O GLN A 75 -1.544 13.772 -7.366 1.00 0.00 O ATOM 1192 CB GLN A 75 1.381 12.583 -6.075 1.00 0.00 C ATOM 1193 CG GLN A 75 2.029 12.953 -7.386 1.00 0.00 C ATOM 1194 CD GLN A 75 3.172 12.030 -7.720 1.00 0.00 C ATOM 1195 OE1 GLN A 75 2.997 11.027 -8.405 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.342 12.343 -7.211 1.00 0.00 N ATOM 0 H GLN A 75 0.220 12.344 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 75 0.362 14.471 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.119 12.682 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.091 11.533 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.286 12.916 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.392 13.979 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.444 13.187 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.149 11.742 -7.380 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.423 11.742 -6.432 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.517 11.196 -7.229 1.00 0.00 C ATOM 1207 C LEU A 76 -3.872 11.493 -6.586 1.00 0.00 C ATOM 1208 O LEU A 76 -4.914 11.086 -7.090 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.336 9.683 -7.458 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.719 8.744 -6.300 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.439 7.308 -6.687 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.973 9.093 -5.025 1.00 0.00 C ATOM 0 H LEU A 76 -1.022 11.086 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.494 11.688 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.925 9.401 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.290 9.502 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.784 8.869 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.712 6.649 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.024 7.048 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.378 7.191 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.270 8.408 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.900 9.007 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.213 10.115 -4.731 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.837 12.213 -5.465 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.040 12.608 -4.731 1.00 0.00 C ATOM 1226 C GLU A 77 -5.832 11.418 -4.207 1.00 0.00 C ATOM 1227 O GLU A 77 -6.990 11.198 -4.576 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.929 13.522 -5.566 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.367 14.913 -5.746 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.279 15.799 -6.553 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.336 16.203 -6.031 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -5.947 16.090 -7.718 1.00 0.00 O ATOM 0 H GLU A 77 -2.970 12.540 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.693 13.165 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.081 13.071 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.908 13.593 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.199 15.364 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.397 14.849 -6.239 1.00 0.00 H new ATOM 1239 N MET A 78 -5.205 10.646 -3.352 1.00 0.00 N ATOM 1240 CA MET A 78 -5.868 9.549 -2.710 1.00 0.00 C ATOM 1241 C MET A 78 -6.495 10.075 -1.441 1.00 0.00 C ATOM 1242 O MET A 78 -5.879 10.863 -0.729 1.00 0.00 O ATOM 1243 CB MET A 78 -4.884 8.432 -2.383 1.00 0.00 C ATOM 1244 CG MET A 78 -5.534 7.067 -2.359 1.00 0.00 C ATOM 1245 SD MET A 78 -4.382 5.729 -2.003 1.00 0.00 S ATOM 1246 CE MET A 78 -3.386 5.718 -3.483 1.00 0.00 C ATOM 0 H MET A 78 -4.227 10.764 -3.086 1.00 0.00 H new ATOM 0 HA MET A 78 -6.626 9.133 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.081 8.434 -3.120 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.427 8.629 -1.413 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.326 7.063 -1.610 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.007 6.882 -3.323 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.897 4.749 -3.585 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.021 5.897 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.630 6.501 -3.419 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.706 9.672 -1.153 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.400 10.179 0.014 1.00 0.00 C ATOM 1258 C GLU A 79 -8.469 9.126 1.097 1.00 0.00 C ATOM 1259 O GLU A 79 -8.024 8.000 0.909 1.00 0.00 O ATOM 1260 CB GLU A 79 -9.798 10.639 -0.372 1.00 0.00 C ATOM 1261 CG GLU A 79 -9.803 11.701 -1.456 1.00 0.00 C ATOM 1262 CD GLU A 79 -9.225 13.029 -0.992 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -7.984 13.149 -0.886 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -10.015 13.963 -0.739 1.00 0.00 O ATOM 0 H GLU A 79 -8.235 8.997 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.844 11.031 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.375 9.779 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.301 11.030 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.231 11.341 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.826 11.857 -1.799 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.019 9.482 2.238 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.133 8.544 3.330 1.00 0.00 C ATOM 1273 C ASP A 80 -10.237 7.552 3.070 1.00 0.00 C ATOM 1274 O ASP A 80 -11.266 7.883 2.474 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.349 9.252 4.675 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.563 10.156 4.694 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.611 11.118 3.898 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.465 9.926 5.526 1.00 0.00 O ATOM 0 H ASP A 80 -9.393 10.411 2.432 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.187 8.006 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.452 8.502 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.463 9.841 4.913 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.998 6.321 3.492 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.929 5.210 3.336 1.00 0.00 C ATOM 1285 C GLU A 81 -11.003 4.765 1.882 1.00 0.00 C ATOM 1286 O GLU A 81 -11.894 4.008 1.485 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.314 5.562 3.884 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.290 6.016 5.333 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.663 6.033 5.959 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -14.279 4.949 6.084 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -14.132 7.132 6.341 1.00 0.00 O ATOM 0 H GLU A 81 -9.132 6.058 3.963 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.552 4.372 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.750 6.351 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.964 4.692 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.641 5.354 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.856 7.014 5.390 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.050 5.233 1.088 1.00 0.00 N ATOM 1299 CA ASP A 82 -9.960 4.869 -0.312 1.00 0.00 C ATOM 1300 C ASP A 82 -9.297 3.498 -0.426 1.00 0.00 C ATOM 1301 O ASP A 82 -8.648 3.031 0.519 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.150 5.917 -1.076 1.00 0.00 C ATOM 1303 CG ASP A 82 -9.615 6.109 -2.498 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.097 5.131 -3.118 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -9.518 7.250 -3.005 1.00 0.00 O ATOM 0 H ASP A 82 -9.320 5.874 1.399 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.959 4.826 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.212 6.869 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.100 5.623 -1.081 1.00 0.00 H new ATOM 1310 N THR A 83 -9.451 2.841 -1.554 1.00 0.00 N ATOM 1311 CA THR A 83 -8.905 1.502 -1.717 1.00 0.00 C ATOM 1312 C THR A 83 -8.029 1.377 -2.978 1.00 0.00 C ATOM 1313 O THR A 83 -8.286 2.009 -4.000 1.00 0.00 O ATOM 1314 CB THR A 83 -10.042 0.453 -1.750 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.910 0.663 -0.625 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.487 -0.965 -1.690 1.00 0.00 C ATOM 0 H THR A 83 -9.945 3.204 -2.369 1.00 0.00 H new ATOM 0 HA THR A 83 -8.265 1.311 -0.856 1.00 0.00 H new ATOM 0 HB THR A 83 -10.590 0.571 -2.685 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.633 0.002 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.310 -1.679 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.832 -1.136 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.921 -1.096 -0.768 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.991 0.557 -2.882 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.069 0.318 -3.979 1.00 0.00 C ATOM 1326 C ILE A 84 -6.256 -1.103 -4.498 1.00 0.00 C ATOM 1327 O ILE A 84 -6.387 -2.038 -3.715 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.579 0.502 -3.541 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.275 1.959 -3.167 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.627 0.028 -4.623 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.717 2.354 -1.772 1.00 0.00 C ATOM 0 H ILE A 84 -6.765 0.037 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.288 1.048 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.428 -0.113 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.202 2.128 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.762 2.615 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.599 0.168 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.802 -1.029 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.795 0.603 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.463 3.399 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.795 2.222 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.211 1.726 -1.039 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.267 -1.268 -5.813 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.444 -2.592 -6.418 1.00 0.00 C ATOM 1345 C ASP A 85 -5.106 -3.237 -6.714 1.00 0.00 C ATOM 1346 O ASP A 85 -4.215 -2.616 -7.295 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.266 -2.512 -7.708 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.737 -2.300 -7.457 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.367 -3.171 -6.820 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.280 -1.272 -7.912 1.00 0.00 O ATOM 0 H ASP A 85 -6.156 -0.508 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.984 -3.204 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.887 -1.696 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.129 -3.431 -8.277 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.948 -4.479 -6.302 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.715 -5.208 -6.539 1.00 0.00 C ATOM 1357 C VAL A 86 -3.919 -6.372 -7.515 1.00 0.00 C ATOM 1358 O VAL A 86 -4.892 -7.128 -7.424 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.117 -5.732 -5.215 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.006 -6.729 -5.475 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.600 -4.576 -4.386 1.00 0.00 C ATOM 0 H VAL A 86 -5.661 -5.008 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.014 -4.506 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.906 -6.243 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.604 -7.081 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.401 -7.575 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.214 -6.249 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.180 -4.955 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.827 -4.046 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.420 -3.893 -4.163 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.960 -6.545 -8.419 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.022 -7.582 -9.446 1.00 0.00 C ATOM 1373 C PHE A 87 -1.680 -8.297 -9.523 1.00 0.00 C ATOM 1374 O PHE A 87 -0.684 -7.799 -9.008 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.357 -6.964 -10.810 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.598 -6.127 -10.801 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.530 -4.774 -10.512 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.833 -6.688 -11.066 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.663 -4.001 -10.489 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.976 -5.916 -11.046 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.891 -4.570 -10.755 1.00 0.00 C ATOM 0 H PHE A 87 -2.118 -5.971 -8.461 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.804 -8.295 -9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.518 -6.351 -11.137 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.473 -7.763 -11.543 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.572 -4.322 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.904 -7.742 -11.291 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.594 -2.947 -10.263 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.935 -6.364 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.784 -3.963 -10.736 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.646 -9.463 -10.147 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.404 -10.216 -10.290 1.00 0.00 C ATOM 1393 C GLN A 88 0.053 -10.259 -11.750 1.00 0.00 C ATOM 1394 O GLN A 88 -0.601 -10.856 -12.594 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.567 -11.652 -9.767 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.324 -11.835 -8.271 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.445 -11.296 -7.395 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.417 -11.993 -7.116 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.304 -10.073 -6.926 1.00 0.00 N ATOM 0 H GLN A 88 -2.462 -9.911 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 88 0.353 -9.703 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.576 -11.993 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.121 -12.299 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.191 -12.896 -8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.607 -11.337 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.484 -9.522 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.015 -9.678 -6.311 1.00 0.00 H new ATOM 1408 N GLN A 89 1.174 -9.608 -12.052 1.00 0.00 N ATOM 1409 CA GLN A 89 1.737 -9.641 -13.409 1.00 0.00 C ATOM 1410 C GLN A 89 2.865 -10.659 -13.508 1.00 0.00 C ATOM 1411 O GLN A 89 3.938 -10.372 -14.033 1.00 0.00 O ATOM 1412 CB GLN A 89 2.229 -8.260 -13.874 1.00 0.00 C ATOM 1413 CG GLN A 89 1.121 -7.331 -14.349 1.00 0.00 C ATOM 1414 CD GLN A 89 0.625 -6.407 -13.268 1.00 0.00 C ATOM 1415 OE1 GLN A 89 1.112 -5.295 -13.125 1.00 0.00 O ATOM 1416 NE2 GLN A 89 -0.338 -6.861 -12.496 1.00 0.00 N ATOM 0 H GLN A 89 1.710 -9.054 -11.384 1.00 0.00 H new ATOM 0 HA GLN A 89 0.927 -9.942 -14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.762 -7.781 -13.053 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.946 -8.396 -14.684 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.486 -6.738 -15.187 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.288 -7.928 -14.720 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.717 -7.796 -12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.706 -6.279 -11.744 1.00 0.00 H new ATOM 1425 N GLN A 90 2.595 -11.857 -13.027 1.00 0.00 N ATOM 1426 CA GLN A 90 3.548 -12.965 -13.052 1.00 0.00 C ATOM 1427 C GLN A 90 2.790 -14.278 -13.100 1.00 0.00 C ATOM 1428 O GLN A 90 2.566 -14.928 -12.076 1.00 0.00 O ATOM 1429 CB GLN A 90 4.495 -12.949 -11.833 1.00 0.00 C ATOM 1430 CG GLN A 90 5.517 -11.811 -11.823 1.00 0.00 C ATOM 1431 CD GLN A 90 6.460 -11.829 -13.012 1.00 0.00 C ATOM 1432 OE1 GLN A 90 6.936 -10.782 -13.451 1.00 0.00 O ATOM 1433 NE2 GLN A 90 6.746 -13.002 -13.530 1.00 0.00 N ATOM 0 H GLN A 90 1.700 -12.098 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 90 4.166 -12.853 -13.943 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.894 -12.885 -10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.030 -13.898 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.987 -10.859 -11.805 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.102 -11.868 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.331 -13.847 -13.138 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.383 -13.067 -14.324 1.00 0.00 H new ATOM 1442 N THR A 91 2.351 -14.650 -14.279 1.00 0.00 N ATOM 1443 CA THR A 91 1.588 -15.862 -14.460 1.00 0.00 C ATOM 1444 C THR A 91 2.155 -16.691 -15.604 1.00 0.00 C ATOM 1445 O THR A 91 2.073 -16.300 -16.769 1.00 0.00 O ATOM 1446 CB THR A 91 0.097 -15.547 -14.741 1.00 0.00 C ATOM 1447 OG1 THR A 91 -0.011 -14.554 -15.775 1.00 0.00 O ATOM 1448 CG2 THR A 91 -0.603 -15.049 -13.482 1.00 0.00 C ATOM 0 H THR A 91 2.512 -14.123 -15.137 1.00 0.00 H new ATOM 0 HA THR A 91 1.658 -16.433 -13.534 1.00 0.00 H new ATOM 0 HB THR A 91 -0.387 -16.468 -15.067 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.643 -14.743 -16.480 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.648 -14.835 -13.707 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.548 -15.814 -12.708 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.115 -14.141 -13.129 1.00 0.00 H new ATOM 1456 N GLY A 92 2.777 -17.814 -15.272 1.00 0.00 N ATOM 1457 CA GLY A 92 3.319 -18.689 -16.289 1.00 0.00 C ATOM 1458 C GLY A 92 2.260 -19.201 -17.244 1.00 0.00 C ATOM 1459 O GLY A 92 2.257 -18.856 -18.427 1.00 0.00 O ATOM 0 H GLY A 92 2.916 -18.134 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.083 -18.154 -16.853 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.810 -19.536 -15.810 1.00 0.00 H new ATOM 1463 N GLY A 93 1.362 -20.023 -16.743 1.00 0.00 N ATOM 1464 CA GLY A 93 0.308 -20.556 -17.571 1.00 0.00 C ATOM 1465 C GLY A 93 -1.063 -20.170 -17.071 1.00 0.00 C ATOM 1466 O GLY A 93 -1.190 -19.106 -16.426 1.00 0.00 O ATOM 1467 OXT GLY A 93 -2.026 -20.924 -17.327 1.00 0.00 O ATOM 0 H GLY A 93 1.343 -20.334 -15.772 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.434 -20.197 -18.592 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.388 -21.643 -17.603 1.00 0.00 H new TER 1471 GLY A 93