USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 168:sc= 2.46 (180deg=0.875) USER MOD Set 1.2: A 88 THR OG1 : rot -108:sc= 2.25 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.295 K(o=1.4,f=-5.8!) USER MOD Set 2.2: B 208 THR OG1 : rot 95:sc= 1.14 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 34 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.036) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.0329 K(o=0.033,f=-3.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.343 (180deg=-1.51!) USER MOD Single : A 55 SER OG : rot -46:sc= 0.118 USER MOD Single : A 60 HIS : no HD1:sc= -0.0249 K(o=-0.025,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.24 K(o=1.2,f=-7.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.634 USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.824) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 87 ASN : amide:sc= 0.503 K(o=0.5,f=-6.4!) USER MOD Single : A 90 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.953 X(o=-0.95,f=-0.46) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.7!) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.131 -7.501 -0.549 1.00 0.00 N ATOM 2 CA MET A 8 -15.049 -8.576 0.390 1.00 0.00 C ATOM 3 C MET A 8 -14.791 -9.852 -0.335 1.00 0.00 C ATOM 4 O MET A 8 -15.520 -10.837 -0.235 1.00 0.00 O ATOM 5 CB MET A 8 -16.286 -8.599 1.303 1.00 0.00 C ATOM 6 CG MET A 8 -16.047 -9.168 2.704 1.00 0.00 C ATOM 7 SD MET A 8 -16.126 -10.977 2.873 1.00 0.00 S ATOM 8 CE MET A 8 -15.354 -11.005 4.516 1.00 0.00 C ATOM 0 HA MET A 8 -14.205 -8.430 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.666 -7.582 1.400 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.066 -9.185 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.066 -8.837 3.043 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.782 -8.730 3.379 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.280 -12.035 4.866 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.357 -10.569 4.457 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.962 -10.428 5.213 1.00 0.00 H new ATOM 18 N LYS A 9 -13.693 -9.876 -1.113 1.00 0.00 N ATOM 19 CA LYS A 9 -13.258 -11.016 -1.856 1.00 0.00 C ATOM 20 C LYS A 9 -11.965 -11.502 -1.296 1.00 0.00 C ATOM 21 O LYS A 9 -11.189 -10.675 -0.818 1.00 0.00 O ATOM 22 CB LYS A 9 -13.058 -10.636 -3.333 1.00 0.00 C ATOM 23 CG LYS A 9 -14.348 -10.218 -4.043 1.00 0.00 C ATOM 24 CD LYS A 9 -15.348 -11.352 -4.278 1.00 0.00 C ATOM 25 CE LYS A 9 -14.849 -12.431 -5.240 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.924 -13.418 -5.485 1.00 0.00 N ATOM 0 H LYS A 9 -13.084 -9.066 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.013 -11.799 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.339 -9.819 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.622 -11.484 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.834 -9.440 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.090 -9.775 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.588 -11.815 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.274 -10.931 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.538 -11.977 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.974 -12.928 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.581 -14.150 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.201 -13.860 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.747 -12.938 -5.903 1.00 0.00 H new ATOM 40 N PRO A 10 -11.621 -12.755 -1.284 1.00 0.00 N ATOM 41 CA PRO A 10 -10.293 -13.185 -0.955 1.00 0.00 C ATOM 42 C PRO A 10 -9.359 -12.915 -2.083 1.00 0.00 C ATOM 43 O PRO A 10 -9.795 -12.905 -3.234 1.00 0.00 O ATOM 44 CB PRO A 10 -10.450 -14.683 -0.703 1.00 0.00 C ATOM 45 CG PRO A 10 -11.599 -15.105 -1.632 1.00 0.00 C ATOM 46 CD PRO A 10 -12.506 -13.865 -1.602 1.00 0.00 C ATOM 0 HA PRO A 10 -9.873 -12.662 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.532 -15.224 -0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.687 -14.888 0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.248 -15.329 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.112 -15.995 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.999 -13.714 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.292 -13.969 -0.854 1.00 0.00 H new ATOM 54 N GLY A 11 -8.067 -12.657 -1.810 1.00 0.00 N ATOM 55 CA GLY A 11 -7.048 -12.508 -2.802 1.00 0.00 C ATOM 56 C GLY A 11 -7.251 -11.446 -3.827 1.00 0.00 C ATOM 57 O GLY A 11 -6.845 -11.583 -4.980 1.00 0.00 O ATOM 0 H GLY A 11 -7.718 -12.548 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.105 -12.310 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.937 -13.461 -3.319 1.00 0.00 H new ATOM 61 N ASP A 12 -7.917 -10.338 -3.458 1.00 0.00 N ATOM 62 CA ASP A 12 -8.378 -9.356 -4.390 1.00 0.00 C ATOM 63 C ASP A 12 -7.431 -8.208 -4.471 1.00 0.00 C ATOM 64 O ASP A 12 -7.165 -7.547 -3.468 1.00 0.00 O ATOM 65 CB ASP A 12 -9.771 -8.947 -3.885 1.00 0.00 C ATOM 66 CG ASP A 12 -10.602 -8.126 -4.861 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.659 -8.480 -6.069 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.243 -7.141 -4.407 1.00 0.00 O ATOM 0 H ASP A 12 -8.141 -10.119 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.435 -9.741 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.326 -9.850 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.652 -8.376 -2.964 1.00 0.00 H new ATOM 73 N THR A 13 -6.859 -7.905 -5.650 1.00 0.00 N ATOM 74 CA THR A 13 -6.064 -6.736 -5.862 1.00 0.00 C ATOM 75 C THR A 13 -6.899 -5.521 -6.075 1.00 0.00 C ATOM 76 O THR A 13 -7.883 -5.524 -6.814 1.00 0.00 O ATOM 77 CB THR A 13 -5.065 -6.833 -6.977 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.567 -7.611 -8.055 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.806 -7.535 -6.442 1.00 0.00 C ATOM 0 H THR A 13 -6.952 -8.491 -6.480 1.00 0.00 H new ATOM 0 HA THR A 13 -5.497 -6.652 -4.935 1.00 0.00 H new ATOM 0 HB THR A 13 -4.850 -5.826 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.895 -7.655 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.067 -7.615 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.389 -6.956 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.068 -8.532 -6.089 1.00 0.00 H new ATOM 87 N PHE A 14 -6.521 -4.425 -5.394 1.00 0.00 N ATOM 88 CA PHE A 14 -7.132 -3.136 -5.495 1.00 0.00 C ATOM 89 C PHE A 14 -6.068 -2.103 -5.654 1.00 0.00 C ATOM 90 O PHE A 14 -5.173 -1.963 -4.821 1.00 0.00 O ATOM 91 CB PHE A 14 -8.142 -2.701 -4.420 1.00 0.00 C ATOM 92 CG PHE A 14 -7.927 -3.025 -2.982 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.532 -4.263 -2.530 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.285 -2.088 -2.042 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.388 -4.527 -1.189 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.141 -2.338 -0.697 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.679 -3.556 -0.259 1.00 0.00 C ATOM 0 H PHE A 14 -5.743 -4.440 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.772 -3.234 -6.372 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.236 -1.617 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.107 -3.123 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.330 -5.046 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.686 -1.139 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.046 -5.499 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.393 -1.571 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.547 -3.747 0.796 1.00 0.00 H new ATOM 107 N GLU A 15 -6.142 -1.329 -6.751 1.00 0.00 N ATOM 108 CA GLU A 15 -5.365 -0.150 -6.977 1.00 0.00 C ATOM 109 C GLU A 15 -6.057 1.042 -6.413 1.00 0.00 C ATOM 110 O GLU A 15 -6.828 1.747 -7.062 1.00 0.00 O ATOM 111 CB GLU A 15 -5.075 -0.028 -8.483 1.00 0.00 C ATOM 112 CG GLU A 15 -3.646 0.453 -8.743 1.00 0.00 C ATOM 113 CD GLU A 15 -3.363 0.716 -10.216 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.072 1.549 -10.841 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.408 0.111 -10.774 1.00 0.00 O ATOM 0 H GLU A 15 -6.778 -1.537 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.407 -0.215 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.227 -0.995 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.782 0.668 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.468 1.367 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.944 -0.294 -8.372 1.00 0.00 H new ATOM 122 N VAL A 16 -5.825 1.302 -5.113 1.00 0.00 N ATOM 123 CA VAL A 16 -6.323 2.434 -4.395 1.00 0.00 C ATOM 124 C VAL A 16 -5.450 3.608 -4.680 1.00 0.00 C ATOM 125 O VAL A 16 -4.240 3.437 -4.818 1.00 0.00 O ATOM 126 CB VAL A 16 -6.302 2.137 -2.925 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.799 3.330 -2.090 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.188 0.912 -2.646 1.00 0.00 C ATOM 0 H VAL A 16 -5.257 0.686 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.345 2.652 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.270 1.938 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.767 3.072 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.159 4.193 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.823 3.571 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.177 0.691 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.210 1.122 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.806 0.053 -3.199 1.00 0.00 H new ATOM 138 N GLU A 17 -5.970 4.842 -4.798 1.00 0.00 N ATOM 139 CA GLU A 17 -5.185 6.026 -4.961 1.00 0.00 C ATOM 140 C GLU A 17 -5.521 7.002 -3.886 1.00 0.00 C ATOM 141 O GLU A 17 -6.656 7.441 -3.708 1.00 0.00 O ATOM 142 CB GLU A 17 -5.218 6.571 -6.398 1.00 0.00 C ATOM 143 CG GLU A 17 -5.602 8.027 -6.669 1.00 0.00 C ATOM 144 CD GLU A 17 -7.089 8.302 -6.845 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.951 7.393 -6.710 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.410 9.471 -7.186 1.00 0.00 O ATOM 0 H GLU A 17 -6.974 5.022 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.130 5.786 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.227 6.415 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.909 5.946 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.234 8.639 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.082 8.358 -7.568 1.00 0.00 H new ATOM 153 N LEU A 18 -4.510 7.327 -3.061 1.00 0.00 N ATOM 154 CA LEU A 18 -4.647 8.140 -1.893 1.00 0.00 C ATOM 155 C LEU A 18 -3.772 9.341 -2.005 1.00 0.00 C ATOM 156 O LEU A 18 -2.797 9.357 -2.756 1.00 0.00 O ATOM 157 CB LEU A 18 -4.185 7.386 -0.636 1.00 0.00 C ATOM 158 CG LEU A 18 -4.883 6.037 -0.391 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.185 5.349 0.794 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.401 6.175 -0.184 1.00 0.00 C ATOM 0 H LEU A 18 -3.553 7.008 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.700 8.411 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.111 7.214 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.348 8.025 0.232 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.788 5.417 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.662 4.388 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.133 5.190 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.265 5.980 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.836 5.190 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.594 6.809 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.850 6.624 -1.070 1.00 0.00 H new ATOM 172 N ALA A 19 -4.067 10.376 -1.198 1.00 0.00 N ATOM 173 CA ALA A 19 -3.185 11.478 -0.968 1.00 0.00 C ATOM 174 C ALA A 19 -2.923 11.556 0.497 1.00 0.00 C ATOM 175 O ALA A 19 -3.837 11.728 1.304 1.00 0.00 O ATOM 176 CB ALA A 19 -3.779 12.782 -1.525 1.00 0.00 C ATOM 0 H ALA A 19 -4.948 10.448 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.241 11.330 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.089 13.605 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.939 12.680 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.731 12.987 -1.034 1.00 0.00 H new ATOM 182 N LYS A 20 -1.656 11.381 0.909 1.00 0.00 N ATOM 183 CA LYS A 20 -1.239 11.300 2.275 1.00 0.00 C ATOM 184 C LYS A 20 -1.467 12.546 3.061 1.00 0.00 C ATOM 185 O LYS A 20 -1.323 13.653 2.547 1.00 0.00 O ATOM 186 CB LYS A 20 0.251 10.940 2.403 1.00 0.00 C ATOM 187 CG LYS A 20 0.850 10.053 1.309 1.00 0.00 C ATOM 188 CD LYS A 20 1.978 10.730 0.530 1.00 0.00 C ATOM 189 CE LYS A 20 3.215 10.948 1.403 1.00 0.00 C ATOM 190 NZ LYS A 20 4.379 11.430 0.626 1.00 0.00 N ATOM 0 H LYS A 20 -0.880 11.291 0.254 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.867 10.511 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.822 11.868 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.397 10.441 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.230 9.137 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.062 9.763 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.244 10.118 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.630 11.689 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.981 11.669 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.475 10.013 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.121 11.754 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.749 10.656 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.086 12.219 0.015 1.00 0.00 H new ATOM 204 N THR A 21 -1.798 12.434 4.360 1.00 0.00 N ATOM 205 CA THR A 21 -2.017 13.556 5.221 1.00 0.00 C ATOM 206 C THR A 21 -0.793 13.849 6.016 1.00 0.00 C ATOM 207 O THR A 21 -0.416 13.142 6.949 1.00 0.00 O ATOM 208 CB THR A 21 -3.274 13.457 6.035 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.504 14.622 6.811 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.326 12.240 6.975 1.00 0.00 C ATOM 0 H THR A 21 -1.917 11.535 4.826 1.00 0.00 H new ATOM 0 HA THR A 21 -2.200 14.425 4.589 1.00 0.00 H new ATOM 0 HB THR A 21 -4.056 13.340 5.285 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.333 14.515 7.323 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.267 12.245 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.253 11.324 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.494 12.288 7.678 1.00 0.00 H new ATOM 218 N ASP A 22 -0.067 14.911 5.620 1.00 0.00 N ATOM 219 CA ASP A 22 1.191 15.341 6.145 1.00 0.00 C ATOM 220 C ASP A 22 2.231 14.280 6.254 1.00 0.00 C ATOM 221 O ASP A 22 2.976 14.215 7.230 1.00 0.00 O ATOM 222 CB ASP A 22 1.062 16.117 7.468 1.00 0.00 C ATOM 223 CG ASP A 22 -0.014 17.191 7.426 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.003 18.062 6.515 1.00 0.00 O ATOM 225 OD2 ASP A 22 -0.865 17.185 8.356 1.00 0.00 O ATOM 0 H ASP A 22 -0.391 15.519 4.868 1.00 0.00 H new ATOM 0 HA ASP A 22 1.551 16.029 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.837 15.417 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.020 16.580 7.706 1.00 0.00 H new ATOM 230 N GLY A 23 2.317 13.385 5.253 1.00 0.00 N ATOM 231 CA GLY A 23 3.170 12.238 5.279 1.00 0.00 C ATOM 232 C GLY A 23 2.685 11.112 6.124 1.00 0.00 C ATOM 233 O GLY A 23 3.303 10.777 7.133 1.00 0.00 O ATOM 0 H GLY A 23 1.772 13.463 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.300 11.877 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.153 12.543 5.636 1.00 0.00 H new ATOM 237 N SER A 24 1.552 10.492 5.743 1.00 0.00 N ATOM 238 CA SER A 24 0.886 9.460 6.475 1.00 0.00 C ATOM 239 C SER A 24 -0.331 9.136 5.681 1.00 0.00 C ATOM 240 O SER A 24 -1.235 9.947 5.486 1.00 0.00 O ATOM 241 CB SER A 24 0.483 9.853 7.906 1.00 0.00 C ATOM 242 OG SER A 24 -0.167 8.807 8.615 1.00 0.00 O ATOM 0 H SER A 24 1.074 10.726 4.873 1.00 0.00 H new ATOM 0 HA SER A 24 1.566 8.618 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.374 10.157 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.177 10.719 7.865 1.00 0.00 H new ATOM 0 HG SER A 24 -0.396 9.116 9.516 1.00 0.00 H new ATOM 248 N LEU A 25 -0.380 7.906 5.136 1.00 0.00 N ATOM 249 CA LEU A 25 -1.526 7.311 4.522 1.00 0.00 C ATOM 250 C LEU A 25 -2.426 6.881 5.629 1.00 0.00 C ATOM 251 O LEU A 25 -3.650 6.992 5.589 1.00 0.00 O ATOM 252 CB LEU A 25 -1.083 6.056 3.753 1.00 0.00 C ATOM 253 CG LEU A 25 0.096 6.263 2.788 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.883 4.950 2.645 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.356 6.843 1.436 1.00 0.00 C ATOM 0 H LEU A 25 0.433 7.290 5.124 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.017 8.008 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.811 5.285 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.934 5.677 3.186 1.00 0.00 H new ATOM 0 HG LEU A 25 0.767 7.012 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.718 5.099 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.263 4.645 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.227 4.173 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.511 6.972 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.063 6.160 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.836 7.808 1.596 1.00 0.00 H new ATOM 267 N GLY A 26 -1.792 6.379 6.703 1.00 0.00 N ATOM 268 CA GLY A 26 -2.413 6.110 7.964 1.00 0.00 C ATOM 269 C GLY A 26 -2.332 4.663 8.304 1.00 0.00 C ATOM 270 O GLY A 26 -3.190 4.134 9.010 1.00 0.00 O ATOM 0 H GLY A 26 -0.798 6.149 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.929 6.698 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.457 6.421 7.932 1.00 0.00 H new ATOM 274 N ILE A 27 -1.298 3.970 7.793 1.00 0.00 N ATOM 275 CA ILE A 27 -1.217 2.555 7.971 1.00 0.00 C ATOM 276 C ILE A 27 0.081 2.196 8.610 1.00 0.00 C ATOM 277 O ILE A 27 1.153 2.616 8.176 1.00 0.00 O ATOM 278 CB ILE A 27 -1.526 1.847 6.685 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.618 2.278 5.520 1.00 0.00 C ATOM 280 CG2 ILE A 27 -3.007 2.107 6.362 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.792 1.398 4.283 1.00 0.00 C ATOM 0 H ILE A 27 -0.529 4.383 7.264 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.981 2.206 8.666 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.333 0.782 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.836 3.313 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.422 2.243 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.270 1.606 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.629 1.720 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.174 3.179 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.128 1.747 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.547 0.366 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.825 1.453 3.940 1.00 0.00 H new ATOM 293 N SER A 28 0.015 1.431 9.715 1.00 0.00 N ATOM 294 CA SER A 28 1.142 0.874 10.396 1.00 0.00 C ATOM 295 C SER A 28 1.697 -0.349 9.750 1.00 0.00 C ATOM 296 O SER A 28 1.083 -1.413 9.801 1.00 0.00 O ATOM 297 CB SER A 28 0.888 0.423 11.845 1.00 0.00 C ATOM 298 OG SER A 28 0.464 1.485 12.686 1.00 0.00 O ATOM 0 H SER A 28 -0.872 1.189 10.156 1.00 0.00 H new ATOM 0 HA SER A 28 1.824 1.724 10.359 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.131 -0.362 11.849 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.801 -0.013 12.250 1.00 0.00 H new ATOM 0 HG SER A 28 0.315 1.145 13.593 1.00 0.00 H new ATOM 304 N VAL A 29 2.905 -0.275 9.162 1.00 0.00 N ATOM 305 CA VAL A 29 3.493 -1.370 8.455 1.00 0.00 C ATOM 306 C VAL A 29 4.092 -2.446 9.291 1.00 0.00 C ATOM 307 O VAL A 29 4.916 -2.215 10.175 1.00 0.00 O ATOM 308 CB VAL A 29 4.498 -0.918 7.437 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.774 -0.197 6.287 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.572 -0.010 8.059 1.00 0.00 C ATOM 0 H VAL A 29 3.485 0.564 9.178 1.00 0.00 H new ATOM 0 HA VAL A 29 2.631 -1.819 7.962 1.00 0.00 H new ATOM 0 HB VAL A 29 5.011 -1.797 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.504 0.132 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.065 -0.880 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.240 0.668 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.280 0.296 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.098 0.873 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.100 -0.554 8.842 1.00 0.00 H new ATOM 320 N THR A 30 3.730 -3.715 9.025 1.00 0.00 N ATOM 321 CA THR A 30 4.295 -4.889 9.614 1.00 0.00 C ATOM 322 C THR A 30 4.795 -5.802 8.548 1.00 0.00 C ATOM 323 O THR A 30 4.528 -5.633 7.359 1.00 0.00 O ATOM 324 CB THR A 30 3.368 -5.620 10.540 1.00 0.00 C ATOM 325 OG1 THR A 30 3.989 -6.668 11.270 1.00 0.00 O ATOM 326 CG2 THR A 30 2.158 -6.215 9.800 1.00 0.00 C ATOM 0 H THR A 30 2.994 -3.933 8.354 1.00 0.00 H new ATOM 0 HA THR A 30 5.122 -4.548 10.237 1.00 0.00 H new ATOM 0 HB THR A 30 3.045 -4.853 11.243 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.328 -7.098 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.516 -6.734 10.511 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.595 -5.414 9.320 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.504 -6.919 9.043 1.00 0.00 H new ATOM 334 N GLY A 31 5.573 -6.821 8.954 1.00 0.00 N ATOM 335 CA GLY A 31 6.187 -7.779 8.088 1.00 0.00 C ATOM 336 C GLY A 31 7.374 -7.250 7.359 1.00 0.00 C ATOM 337 O GLY A 31 8.065 -6.336 7.807 1.00 0.00 O ATOM 0 H GLY A 31 5.785 -6.985 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.489 -8.646 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.451 -8.125 7.363 1.00 0.00 H new ATOM 341 N GLY A 32 7.633 -7.821 6.169 1.00 0.00 N ATOM 342 CA GLY A 32 8.753 -7.498 5.340 1.00 0.00 C ATOM 343 C GLY A 32 9.703 -8.647 5.338 1.00 0.00 C ATOM 344 O GLY A 32 9.615 -9.546 6.174 1.00 0.00 O ATOM 0 H GLY A 32 7.034 -8.541 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.420 -7.283 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.249 -6.600 5.710 1.00 0.00 H new ATOM 348 N VAL A 33 10.669 -8.673 4.403 1.00 0.00 N ATOM 349 CA VAL A 33 11.524 -9.798 4.183 1.00 0.00 C ATOM 350 C VAL A 33 12.378 -10.159 5.350 1.00 0.00 C ATOM 351 O VAL A 33 12.698 -11.326 5.571 1.00 0.00 O ATOM 352 CB VAL A 33 12.328 -9.640 2.927 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.409 -8.553 3.050 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.952 -10.976 2.492 1.00 0.00 C ATOM 0 H VAL A 33 10.861 -7.888 3.781 1.00 0.00 H new ATOM 0 HA VAL A 33 10.855 -10.649 4.053 1.00 0.00 H new ATOM 0 HB VAL A 33 11.631 -9.314 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.961 -8.481 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.938 -7.595 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.095 -8.812 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.528 -10.828 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.609 -11.344 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.162 -11.704 2.308 1.00 0.00 H new ATOM 364 N ASN A 34 12.724 -9.194 6.220 1.00 0.00 N ATOM 365 CA ASN A 34 13.529 -9.473 7.368 1.00 0.00 C ATOM 366 C ASN A 34 12.759 -10.051 8.504 1.00 0.00 C ATOM 367 O ASN A 34 13.339 -10.588 9.448 1.00 0.00 O ATOM 368 CB ASN A 34 14.332 -8.245 7.831 1.00 0.00 C ATOM 369 CG ASN A 34 15.713 -8.241 7.191 1.00 0.00 C ATOM 370 OD1 ASN A 34 16.537 -9.126 7.418 1.00 0.00 O ATOM 371 ND2 ASN A 34 16.017 -7.203 6.367 1.00 0.00 N ATOM 0 H ASN A 34 12.445 -8.217 6.128 1.00 0.00 H new ATOM 0 HA ASN A 34 14.234 -10.237 7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.798 -7.332 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.428 -8.253 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.937 -7.152 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.325 -6.475 6.187 1.00 0.00 H new ATOM 378 N THR A 35 11.416 -10.031 8.452 1.00 0.00 N ATOM 379 CA THR A 35 10.552 -10.672 9.397 1.00 0.00 C ATOM 380 C THR A 35 10.275 -12.079 8.989 1.00 0.00 C ATOM 381 O THR A 35 9.934 -12.927 9.813 1.00 0.00 O ATOM 382 CB THR A 35 9.268 -9.912 9.544 1.00 0.00 C ATOM 383 OG1 THR A 35 9.547 -8.597 10.000 1.00 0.00 O ATOM 384 CG2 THR A 35 8.287 -10.522 10.559 1.00 0.00 C ATOM 0 H THR A 35 10.906 -9.544 7.715 1.00 0.00 H new ATOM 0 HA THR A 35 11.059 -10.685 10.362 1.00 0.00 H new ATOM 0 HB THR A 35 8.805 -9.937 8.558 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.708 -8.099 10.095 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.385 -9.912 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.026 -11.534 10.249 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.754 -10.553 11.543 1.00 0.00 H new ATOM 392 N SER A 36 10.436 -12.374 7.687 1.00 0.00 N ATOM 393 CA SER A 36 10.182 -13.625 7.044 1.00 0.00 C ATOM 394 C SER A 36 8.724 -13.825 6.815 1.00 0.00 C ATOM 395 O SER A 36 8.009 -14.396 7.637 1.00 0.00 O ATOM 396 CB SER A 36 10.788 -14.887 7.679 1.00 0.00 C ATOM 397 OG SER A 36 12.188 -14.739 7.871 1.00 0.00 O ATOM 0 H SER A 36 10.774 -11.673 7.028 1.00 0.00 H new ATOM 0 HA SER A 36 10.722 -13.519 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.305 -15.085 8.636 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.594 -15.749 7.040 1.00 0.00 H new ATOM 0 HG SER A 36 12.550 -15.554 8.278 1.00 0.00 H new ATOM 403 N VAL A 37 8.217 -13.335 5.669 1.00 0.00 N ATOM 404 CA VAL A 37 6.824 -13.258 5.359 1.00 0.00 C ATOM 405 C VAL A 37 6.553 -14.252 4.283 1.00 0.00 C ATOM 406 O VAL A 37 6.745 -15.451 4.479 1.00 0.00 O ATOM 407 CB VAL A 37 6.430 -11.849 5.025 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.271 -11.069 6.341 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.458 -11.133 4.133 1.00 0.00 C ATOM 0 H VAL A 37 8.810 -12.974 4.921 1.00 0.00 H new ATOM 0 HA VAL A 37 6.200 -13.514 6.215 1.00 0.00 H new ATOM 0 HB VAL A 37 5.497 -11.887 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.984 -10.040 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.500 -11.539 6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.216 -11.074 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.117 -10.119 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.420 -11.095 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.567 -11.677 3.195 1.00 0.00 H new ATOM 419 N ARG A 38 6.124 -13.822 3.083 1.00 0.00 N ATOM 420 CA ARG A 38 6.206 -14.609 1.892 1.00 0.00 C ATOM 421 C ARG A 38 7.583 -14.460 1.342 1.00 0.00 C ATOM 422 O ARG A 38 8.526 -15.102 1.802 1.00 0.00 O ATOM 423 CB ARG A 38 5.154 -14.166 0.861 1.00 0.00 C ATOM 424 CG ARG A 38 3.701 -14.518 1.186 1.00 0.00 C ATOM 425 CD ARG A 38 3.374 -16.009 1.071 1.00 0.00 C ATOM 426 NE ARG A 38 1.913 -16.127 0.804 1.00 0.00 N ATOM 427 CZ ARG A 38 0.946 -16.403 1.727 1.00 0.00 C ATOM 428 NH1 ARG A 38 1.203 -16.554 3.059 1.00 0.00 N ATOM 429 NH2 ARG A 38 -0.349 -16.531 1.317 1.00 0.00 N ATOM 0 H ARG A 38 5.709 -12.902 2.937 1.00 0.00 H new ATOM 0 HA ARG A 38 6.002 -15.655 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.226 -13.085 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.408 -14.612 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.477 -14.186 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.046 -13.961 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.949 -16.467 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.639 -16.532 1.990 1.00 0.00 H new ATOM 0 HE ARG A 38 1.607 -15.989 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.157 -16.461 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.441 -16.760 3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.585 -16.421 0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.081 -16.737 1.997 1.00 0.00 H new ATOM 443 N HIS A 39 7.766 -13.577 0.344 1.00 0.00 N ATOM 444 CA HIS A 39 9.004 -13.232 -0.283 1.00 0.00 C ATOM 445 C HIS A 39 9.491 -11.888 0.136 1.00 0.00 C ATOM 446 O HIS A 39 10.687 -11.615 0.225 1.00 0.00 O ATOM 447 CB HIS A 39 8.782 -13.191 -1.804 1.00 0.00 C ATOM 448 CG HIS A 39 7.781 -12.177 -2.274 1.00 0.00 C ATOM 449 ND1 HIS A 39 6.470 -12.236 -1.847 1.00 0.00 N ATOM 450 CD2 HIS A 39 7.983 -11.053 -3.013 1.00 0.00 C ATOM 451 CE1 HIS A 39 5.894 -11.152 -2.333 1.00 0.00 C ATOM 452 NE2 HIS A 39 6.769 -10.399 -3.052 1.00 0.00 N ATOM 0 H HIS A 39 6.981 -13.063 -0.056 1.00 0.00 H new ATOM 0 HA HIS A 39 9.744 -13.977 0.009 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.737 -12.988 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.459 -14.178 -2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.906 -10.737 -3.475 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.856 -10.895 -2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.567 -9.520 -3.528 1.00 0.00 H new ATOM 460 N GLY A 40 8.539 -10.963 0.356 1.00 0.00 N ATOM 461 CA GLY A 40 8.743 -9.616 0.789 1.00 0.00 C ATOM 462 C GLY A 40 7.367 -9.051 0.880 1.00 0.00 C ATOM 463 O GLY A 40 6.474 -9.645 1.484 1.00 0.00 O ATOM 0 H GLY A 40 7.551 -11.176 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.253 -9.580 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.357 -9.059 0.082 1.00 0.00 H new ATOM 467 N GLY A 41 7.129 -7.898 0.230 1.00 0.00 N ATOM 468 CA GLY A 41 5.946 -7.123 0.439 1.00 0.00 C ATOM 469 C GLY A 41 6.000 -6.355 1.714 1.00 0.00 C ATOM 470 O GLY A 41 7.001 -6.365 2.430 1.00 0.00 O ATOM 0 H GLY A 41 7.771 -7.496 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.813 -6.433 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.078 -7.782 0.449 1.00 0.00 H new ATOM 474 N ILE A 42 4.896 -5.670 2.058 1.00 0.00 N ATOM 475 CA ILE A 42 4.712 -5.191 3.393 1.00 0.00 C ATOM 476 C ILE A 42 3.265 -5.397 3.687 1.00 0.00 C ATOM 477 O ILE A 42 2.483 -5.666 2.778 1.00 0.00 O ATOM 478 CB ILE A 42 5.243 -3.807 3.623 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.683 -3.591 5.080 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.292 -2.668 3.216 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.940 -4.371 5.461 1.00 0.00 C ATOM 0 H ILE A 42 4.134 -5.448 1.417 1.00 0.00 H new ATOM 0 HA ILE A 42 5.314 -5.746 4.112 1.00 0.00 H new ATOM 0 HB ILE A 42 6.104 -3.754 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.862 -2.528 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.869 -3.883 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.766 -1.708 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.069 -2.743 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.367 -2.745 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.191 -4.170 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.760 -5.438 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.767 -4.062 4.822 1.00 0.00 H new ATOM 493 N TYR A 43 2.839 -5.370 4.963 1.00 0.00 N ATOM 494 CA TYR A 43 1.497 -5.700 5.327 1.00 0.00 C ATOM 495 C TYR A 43 1.039 -4.678 6.311 1.00 0.00 C ATOM 496 O TYR A 43 1.851 -4.071 7.008 1.00 0.00 O ATOM 497 CB TYR A 43 1.438 -7.058 6.045 1.00 0.00 C ATOM 498 CG TYR A 43 1.828 -8.199 5.169 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.147 -8.510 4.937 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.846 -8.994 4.626 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.482 -9.593 4.158 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.177 -10.095 3.871 1.00 0.00 C ATOM 503 CZ TYR A 43 2.497 -10.401 3.640 1.00 0.00 C ATOM 504 OH TYR A 43 2.846 -11.546 2.892 1.00 0.00 O ATOM 0 H TYR A 43 3.434 -5.116 5.752 1.00 0.00 H new ATOM 0 HA TYR A 43 0.884 -5.734 4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.097 -7.032 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.427 -7.222 6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.926 -7.899 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.193 -8.752 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.520 -9.809 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.399 -10.720 3.459 1.00 0.00 H new ATOM 0 HH TYR A 43 2.032 -12.007 2.600 1.00 0.00 H new ATOM 514 N VAL A 44 -0.281 -4.446 6.432 1.00 0.00 N ATOM 515 CA VAL A 44 -0.797 -3.460 7.330 1.00 0.00 C ATOM 516 C VAL A 44 -1.226 -4.065 8.621 1.00 0.00 C ATOM 517 O VAL A 44 -2.097 -4.933 8.662 1.00 0.00 O ATOM 518 CB VAL A 44 -1.984 -2.785 6.709 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.399 -1.605 7.603 1.00 0.00 C ATOM 520 CG2 VAL A 44 -1.601 -2.329 5.291 1.00 0.00 C ATOM 0 H VAL A 44 -0.996 -4.946 5.903 1.00 0.00 H new ATOM 0 HA VAL A 44 0.001 -2.743 7.524 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.834 -3.462 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.262 -1.103 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.659 -1.974 8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.571 -0.900 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.454 -1.836 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.764 -1.632 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.313 -3.195 4.696 1.00 0.00 H new ATOM 530 N LYS A 45 -0.653 -3.626 9.756 1.00 0.00 N ATOM 531 CA LYS A 45 -0.984 -4.147 11.046 1.00 0.00 C ATOM 532 C LYS A 45 -2.142 -3.457 11.678 1.00 0.00 C ATOM 533 O LYS A 45 -2.923 -4.067 12.408 1.00 0.00 O ATOM 534 CB LYS A 45 0.208 -4.045 12.013 1.00 0.00 C ATOM 535 CG LYS A 45 0.099 -4.789 13.345 1.00 0.00 C ATOM 536 CD LYS A 45 0.320 -6.303 13.330 1.00 0.00 C ATOM 537 CE LYS A 45 -0.785 -7.146 12.692 1.00 0.00 C ATOM 538 NZ LYS A 45 -0.531 -8.590 12.902 1.00 0.00 N ATOM 0 H LYS A 45 0.056 -2.893 9.778 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.250 -5.189 10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.095 -4.410 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.377 -2.990 12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.820 -4.351 14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.892 -4.598 13.757 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.252 -6.507 12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.455 -6.639 14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.749 -6.875 13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.841 -6.933 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.293 -9.144 12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.379 -8.849 12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.501 -8.793 13.922 1.00 0.00 H new ATOM 552 N ALA A 46 -2.281 -2.140 11.440 1.00 0.00 N ATOM 553 CA ALA A 46 -3.324 -1.356 12.027 1.00 0.00 C ATOM 554 C ALA A 46 -3.734 -0.279 11.084 1.00 0.00 C ATOM 555 O ALA A 46 -2.900 0.425 10.516 1.00 0.00 O ATOM 556 CB ALA A 46 -2.867 -0.742 13.361 1.00 0.00 C ATOM 0 H ALA A 46 -1.659 -1.610 10.830 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.175 -2.007 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.678 -0.151 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.596 -1.538 14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.002 -0.101 13.189 1.00 0.00 H new ATOM 562 N ILE A 47 -5.058 -0.130 10.898 1.00 0.00 N ATOM 563 CA ILE A 47 -5.659 1.002 10.262 1.00 0.00 C ATOM 564 C ILE A 47 -6.017 1.953 11.352 1.00 0.00 C ATOM 565 O ILE A 47 -6.674 1.588 12.325 1.00 0.00 O ATOM 566 CB ILE A 47 -6.887 0.671 9.468 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.605 -0.478 8.485 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.411 1.905 8.715 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.437 -0.201 7.538 1.00 0.00 C ATOM 0 H ILE A 47 -5.738 -0.827 11.203 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.950 1.416 9.545 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.659 0.349 10.167 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.396 -1.386 9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.502 -0.669 7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.302 1.634 8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.660 2.689 9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.643 2.268 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.297 -1.054 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.652 0.688 6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.529 -0.039 8.118 1.00 0.00 H new ATOM 581 N ILE A 48 -5.558 3.213 11.243 1.00 0.00 N ATOM 582 CA ILE A 48 -5.847 4.215 12.221 1.00 0.00 C ATOM 583 C ILE A 48 -7.211 4.788 12.042 1.00 0.00 C ATOM 584 O ILE A 48 -7.791 4.651 10.967 1.00 0.00 O ATOM 585 CB ILE A 48 -4.824 5.311 12.240 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.806 6.147 10.950 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.483 4.670 12.636 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.598 7.078 10.850 1.00 0.00 C ATOM 0 H ILE A 48 -4.980 3.540 10.468 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.809 3.710 13.186 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.076 6.067 12.984 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.811 5.477 10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.719 6.740 10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.707 5.435 12.662 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.575 4.213 13.621 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.215 3.907 11.906 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.647 7.639 9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.603 7.772 11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.681 6.488 10.872 1.00 0.00 H new ATOM 600 N PRO A 49 -7.799 5.420 13.015 1.00 0.00 N ATOM 601 CA PRO A 49 -8.989 6.193 12.813 1.00 0.00 C ATOM 602 C PRO A 49 -8.712 7.480 12.115 1.00 0.00 C ATOM 603 O PRO A 49 -8.183 8.420 12.709 1.00 0.00 O ATOM 604 CB PRO A 49 -9.553 6.391 14.218 1.00 0.00 C ATOM 605 CG PRO A 49 -8.317 6.342 15.130 1.00 0.00 C ATOM 606 CD PRO A 49 -7.434 5.304 14.419 1.00 0.00 C ATOM 0 HA PRO A 49 -9.703 5.692 12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.076 7.343 14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.268 5.609 14.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.826 7.312 15.204 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.571 6.035 16.145 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.375 5.511 14.573 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.620 4.299 14.796 1.00 0.00 H new ATOM 614 N LYS A 50 -9.093 7.541 10.828 1.00 0.00 N ATOM 615 CA LYS A 50 -8.967 8.641 9.922 1.00 0.00 C ATOM 616 C LYS A 50 -7.599 9.176 9.675 1.00 0.00 C ATOM 617 O LYS A 50 -7.031 9.993 10.398 1.00 0.00 O ATOM 618 CB LYS A 50 -10.080 9.702 9.952 1.00 0.00 C ATOM 619 CG LYS A 50 -10.281 10.463 11.264 1.00 0.00 C ATOM 620 CD LYS A 50 -11.332 11.574 11.203 1.00 0.00 C ATOM 621 CE LYS A 50 -12.797 11.157 11.344 1.00 0.00 C ATOM 622 NZ LYS A 50 -13.240 10.313 10.212 1.00 0.00 N ATOM 0 H LYS A 50 -9.533 6.738 10.378 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.170 8.107 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.875 10.430 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.020 9.213 9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.567 9.753 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.328 10.899 11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.108 12.295 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.219 12.095 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.931 10.612 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.424 12.047 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.263 10.435 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.732 10.595 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.037 9.315 10.423 1.00 0.00 H new ATOM 636 N GLY A 51 -7.040 8.709 8.545 1.00 0.00 N ATOM 637 CA GLY A 51 -5.901 9.274 7.890 1.00 0.00 C ATOM 638 C GLY A 51 -6.292 9.580 6.485 1.00 0.00 C ATOM 639 O GLY A 51 -7.096 10.475 6.231 1.00 0.00 O ATOM 0 H GLY A 51 -7.405 7.889 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.575 10.179 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.063 8.577 7.911 1.00 0.00 H new ATOM 643 N ALA A 52 -5.735 8.814 5.530 1.00 0.00 N ATOM 644 CA ALA A 52 -6.107 8.814 4.149 1.00 0.00 C ATOM 645 C ALA A 52 -6.633 7.484 3.731 1.00 0.00 C ATOM 646 O ALA A 52 -7.620 7.392 3.002 1.00 0.00 O ATOM 647 CB ALA A 52 -4.881 9.184 3.297 1.00 0.00 C ATOM 0 H ALA A 52 -4.982 8.157 5.734 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.899 9.548 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.158 9.186 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.526 10.175 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.089 8.454 3.463 1.00 0.00 H new ATOM 653 N ALA A 53 -5.994 6.387 4.174 1.00 0.00 N ATOM 654 CA ALA A 53 -6.245 5.045 3.749 1.00 0.00 C ATOM 655 C ALA A 53 -7.550 4.452 4.155 1.00 0.00 C ATOM 656 O ALA A 53 -8.204 3.794 3.347 1.00 0.00 O ATOM 657 CB ALA A 53 -5.096 4.145 4.231 1.00 0.00 C ATOM 0 H ALA A 53 -5.254 6.442 4.874 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.303 5.100 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.279 3.119 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.156 4.496 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.037 4.181 5.319 1.00 0.00 H new ATOM 663 N GLU A 54 -8.026 4.670 5.394 1.00 0.00 N ATOM 664 CA GLU A 54 -9.317 4.241 5.835 1.00 0.00 C ATOM 665 C GLU A 54 -10.422 4.727 4.961 1.00 0.00 C ATOM 666 O GLU A 54 -11.440 4.070 4.757 1.00 0.00 O ATOM 667 CB GLU A 54 -9.570 4.710 7.278 1.00 0.00 C ATOM 668 CG GLU A 54 -10.937 4.305 7.834 1.00 0.00 C ATOM 669 CD GLU A 54 -11.205 4.864 9.224 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.005 6.092 9.415 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.653 4.100 10.121 1.00 0.00 O ATOM 0 H GLU A 54 -7.495 5.161 6.113 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.313 3.152 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.792 4.303 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.481 5.796 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.716 4.650 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.001 3.217 7.868 1.00 0.00 H new ATOM 678 N SER A 55 -10.210 5.909 4.354 1.00 0.00 N ATOM 679 CA SER A 55 -11.106 6.503 3.412 1.00 0.00 C ATOM 680 C SER A 55 -11.183 5.880 2.061 1.00 0.00 C ATOM 681 O SER A 55 -11.937 6.350 1.212 1.00 0.00 O ATOM 682 CB SER A 55 -10.807 8.000 3.230 1.00 0.00 C ATOM 683 OG SER A 55 -11.977 8.732 2.898 1.00 0.00 O ATOM 0 H SER A 55 -9.379 6.474 4.528 1.00 0.00 H new ATOM 0 HA SER A 55 -12.077 6.326 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.376 8.399 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.062 8.130 2.445 1.00 0.00 H new ATOM 0 HG SER A 55 -12.469 8.260 2.194 1.00 0.00 H new ATOM 689 N ASP A 56 -10.472 4.778 1.760 1.00 0.00 N ATOM 690 CA ASP A 56 -10.793 3.961 0.632 1.00 0.00 C ATOM 691 C ASP A 56 -12.048 3.210 0.917 1.00 0.00 C ATOM 692 O ASP A 56 -13.155 3.739 0.819 1.00 0.00 O ATOM 693 CB ASP A 56 -9.613 3.043 0.269 1.00 0.00 C ATOM 694 CG ASP A 56 -9.967 2.183 -0.937 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.210 2.745 -2.037 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.150 0.951 -0.740 1.00 0.00 O ATOM 0 H ASP A 56 -9.671 4.452 2.301 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.969 4.584 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.730 3.643 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.363 2.407 1.118 1.00 0.00 H new ATOM 701 N GLY A 57 -11.956 1.928 1.311 1.00 0.00 N ATOM 702 CA GLY A 57 -13.150 1.232 1.680 1.00 0.00 C ATOM 703 C GLY A 57 -12.927 -0.211 1.973 1.00 0.00 C ATOM 704 O GLY A 57 -13.408 -0.739 2.974 1.00 0.00 O ATOM 0 H GLY A 57 -11.092 1.390 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.584 1.711 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.879 1.323 0.874 1.00 0.00 H new ATOM 708 N ARG A 58 -12.192 -0.903 1.084 1.00 0.00 N ATOM 709 CA ARG A 58 -11.873 -2.293 1.191 1.00 0.00 C ATOM 710 C ARG A 58 -10.927 -2.593 2.303 1.00 0.00 C ATOM 711 O ARG A 58 -11.023 -3.632 2.954 1.00 0.00 O ATOM 712 CB ARG A 58 -11.302 -2.753 -0.161 1.00 0.00 C ATOM 713 CG ARG A 58 -12.379 -3.264 -1.120 1.00 0.00 C ATOM 714 CD ARG A 58 -11.897 -3.465 -2.559 1.00 0.00 C ATOM 715 NE ARG A 58 -12.101 -2.168 -3.264 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.921 -2.072 -4.351 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.066 -3.096 -5.242 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.590 -0.903 -4.572 1.00 0.00 N ATOM 0 H ARG A 58 -11.800 -0.470 0.248 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.783 -2.841 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.772 -1.922 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.570 -3.543 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.765 -4.211 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.211 -2.559 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.846 -3.755 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.457 -4.263 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.618 -1.335 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.553 -3.967 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.688 -2.990 -6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.473 -0.119 -3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.207 -0.813 -5.379 1.00 0.00 H new ATOM 732 N ILE A 59 -9.998 -1.659 2.575 1.00 0.00 N ATOM 733 CA ILE A 59 -8.918 -1.708 3.511 1.00 0.00 C ATOM 734 C ILE A 59 -9.280 -2.081 4.908 1.00 0.00 C ATOM 735 O ILE A 59 -10.165 -1.491 5.525 1.00 0.00 O ATOM 736 CB ILE A 59 -8.223 -0.379 3.478 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.787 -0.060 2.038 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.985 -0.409 4.390 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.808 1.099 1.855 1.00 0.00 C ATOM 0 H ILE A 59 -10.009 -0.768 2.079 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.267 -2.523 3.194 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.911 0.389 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.335 -0.957 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.681 0.155 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.487 0.560 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.292 -0.627 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.297 -1.181 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.581 1.220 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.255 2.017 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.889 0.888 2.401 1.00 0.00 H new ATOM 751 N HIS A 60 -8.577 -3.066 5.495 1.00 0.00 N ATOM 752 CA HIS A 60 -8.642 -3.340 6.897 1.00 0.00 C ATOM 753 C HIS A 60 -7.318 -3.786 7.414 1.00 0.00 C ATOM 754 O HIS A 60 -6.343 -3.918 6.677 1.00 0.00 O ATOM 755 CB HIS A 60 -9.750 -4.340 7.269 1.00 0.00 C ATOM 756 CG HIS A 60 -9.581 -5.764 6.830 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.509 -6.687 7.269 1.00 0.00 N ATOM 758 CD2 HIS A 60 -8.613 -6.384 6.103 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.093 -7.850 6.804 1.00 0.00 C ATOM 760 NE2 HIS A 60 -8.938 -7.725 6.096 1.00 0.00 N ATOM 0 H HIS A 60 -7.949 -3.686 4.984 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.907 -2.401 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.857 -4.334 8.354 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.688 -3.971 6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.762 -5.920 5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.607 -8.786 6.966 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.414 -8.476 5.647 1.00 0.00 H new ATOM 768 N LYS A 61 -7.171 -4.048 8.725 1.00 0.00 N ATOM 769 CA LYS A 61 -5.940 -4.566 9.235 1.00 0.00 C ATOM 770 C LYS A 61 -5.720 -5.990 8.853 1.00 0.00 C ATOM 771 O LYS A 61 -6.527 -6.871 9.142 1.00 0.00 O ATOM 772 CB LYS A 61 -5.761 -4.332 10.745 1.00 0.00 C ATOM 773 CG LYS A 61 -6.815 -4.894 11.700 1.00 0.00 C ATOM 774 CD LYS A 61 -6.431 -4.601 13.152 1.00 0.00 C ATOM 775 CE LYS A 61 -7.486 -4.993 14.188 1.00 0.00 C ATOM 776 NZ LYS A 61 -6.933 -4.866 15.555 1.00 0.00 N ATOM 0 H LYS A 61 -7.897 -3.903 9.426 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.155 -3.986 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.796 -4.749 11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.705 -3.256 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.787 -4.454 11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.911 -5.970 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.504 -5.128 13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.225 -3.535 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.364 -4.356 14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.813 -6.018 14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.659 -5.135 16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.109 -5.492 15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.642 -3.881 15.722 1.00 0.00 H new ATOM 790 N GLY A 62 -4.606 -6.263 8.150 1.00 0.00 N ATOM 791 CA GLY A 62 -4.280 -7.558 7.638 1.00 0.00 C ATOM 792 C GLY A 62 -4.101 -7.653 6.162 1.00 0.00 C ATOM 793 O GLY A 62 -3.833 -8.748 5.667 1.00 0.00 O ATOM 0 H GLY A 62 -3.906 -5.555 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.361 -7.895 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.067 -8.252 7.934 1.00 0.00 H new ATOM 797 N ASP A 63 -4.226 -6.561 5.387 1.00 0.00 N ATOM 798 CA ASP A 63 -3.984 -6.595 3.978 1.00 0.00 C ATOM 799 C ASP A 63 -2.532 -6.588 3.640 1.00 0.00 C ATOM 800 O ASP A 63 -1.674 -6.178 4.420 1.00 0.00 O ATOM 801 CB ASP A 63 -4.650 -5.452 3.195 1.00 0.00 C ATOM 802 CG ASP A 63 -6.155 -5.406 3.416 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.815 -6.461 3.222 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.662 -4.304 3.757 1.00 0.00 O ATOM 0 H ASP A 63 -4.498 -5.644 5.742 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.438 -7.538 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.211 -4.502 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.444 -5.574 2.132 1.00 0.00 H new ATOM 809 N ARG A 64 -2.211 -7.056 2.421 1.00 0.00 N ATOM 810 CA ARG A 64 -0.888 -7.111 1.880 1.00 0.00 C ATOM 811 C ARG A 64 -0.698 -5.965 0.948 1.00 0.00 C ATOM 812 O ARG A 64 -1.511 -5.734 0.054 1.00 0.00 O ATOM 813 CB ARG A 64 -0.727 -8.438 1.119 1.00 0.00 C ATOM 814 CG ARG A 64 0.558 -8.635 0.313 1.00 0.00 C ATOM 815 CD ARG A 64 0.518 -9.913 -0.527 1.00 0.00 C ATOM 816 NE ARG A 64 1.756 -9.913 -1.357 1.00 0.00 N ATOM 817 CZ ARG A 64 1.793 -10.158 -2.700 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.703 -10.536 -3.429 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.967 -9.955 -3.367 1.00 0.00 N ATOM 0 H ARG A 64 -2.915 -7.416 1.777 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.145 -7.052 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.800 -9.251 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.571 -8.540 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.711 -7.776 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.410 -8.674 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.479 -10.796 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.371 -9.936 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 64 2.640 -9.716 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.202 -10.650 -2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.793 -10.705 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.790 -9.628 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.021 -10.131 -4.370 1.00 0.00 H new ATOM 833 N VAL A 65 0.397 -5.197 1.098 1.00 0.00 N ATOM 834 CA VAL A 65 0.777 -4.140 0.214 1.00 0.00 C ATOM 835 C VAL A 65 1.770 -4.737 -0.723 1.00 0.00 C ATOM 836 O VAL A 65 2.828 -5.203 -0.303 1.00 0.00 O ATOM 837 CB VAL A 65 1.419 -2.968 0.894 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.270 -1.726 0.000 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.846 -2.713 2.298 1.00 0.00 C ATOM 0 H VAL A 65 1.048 -5.320 1.874 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.121 -3.752 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 65 2.476 -3.194 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.734 -0.869 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.757 -1.907 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.212 -1.521 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.346 -1.854 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.223 -2.513 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.008 -3.592 2.922 1.00 0.00 H new ATOM 849 N LEU A 66 1.491 -4.787 -2.038 1.00 0.00 N ATOM 850 CA LEU A 66 2.426 -5.277 -3.002 1.00 0.00 C ATOM 851 C LEU A 66 3.166 -4.195 -3.709 1.00 0.00 C ATOM 852 O LEU A 66 4.366 -4.350 -3.932 1.00 0.00 O ATOM 853 CB LEU A 66 1.858 -6.339 -3.959 1.00 0.00 C ATOM 854 CG LEU A 66 0.546 -6.035 -4.703 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.500 -6.812 -6.030 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.667 -6.431 -3.846 1.00 0.00 C ATOM 0 H LEU A 66 0.603 -4.483 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 66 3.167 -5.811 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.621 -6.552 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.709 -7.255 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 66 0.508 -4.964 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.432 -6.590 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.343 -6.516 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.557 -7.882 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.585 -6.208 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.625 -7.498 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.652 -5.868 -2.913 1.00 0.00 H new ATOM 868 N ALA A 67 2.528 -3.067 -4.066 1.00 0.00 N ATOM 869 CA ALA A 67 3.228 -2.048 -4.785 1.00 0.00 C ATOM 870 C ALA A 67 2.747 -0.669 -4.491 1.00 0.00 C ATOM 871 O ALA A 67 1.643 -0.463 -3.990 1.00 0.00 O ATOM 872 CB ALA A 67 3.171 -2.314 -6.299 1.00 0.00 C ATOM 0 H ALA A 67 1.550 -2.862 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 67 4.261 -2.097 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.709 -1.527 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.631 -3.278 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.132 -2.326 -6.627 1.00 0.00 H new ATOM 878 N VAL A 68 3.592 0.342 -4.766 1.00 0.00 N ATOM 879 CA VAL A 68 3.284 1.721 -4.545 1.00 0.00 C ATOM 880 C VAL A 68 3.644 2.552 -5.729 1.00 0.00 C ATOM 881 O VAL A 68 4.821 2.631 -6.077 1.00 0.00 O ATOM 882 CB VAL A 68 4.020 2.276 -3.361 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.666 3.760 -3.169 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.660 1.458 -2.110 1.00 0.00 C ATOM 0 H VAL A 68 4.523 0.193 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 68 2.210 1.763 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 68 5.095 2.205 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.205 4.154 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.948 4.320 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.593 3.860 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.193 1.858 -1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.586 1.518 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.945 0.417 -2.261 1.00 0.00 H new ATOM 894 N ASN A 69 2.690 3.195 -6.427 1.00 0.00 N ATOM 895 CA ASN A 69 2.888 3.813 -7.701 1.00 0.00 C ATOM 896 C ASN A 69 3.501 2.942 -8.743 1.00 0.00 C ATOM 897 O ASN A 69 4.161 3.414 -9.668 1.00 0.00 O ATOM 898 CB ASN A 69 3.641 5.150 -7.601 1.00 0.00 C ATOM 899 CG ASN A 69 2.876 6.127 -6.718 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.693 5.958 -6.430 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.564 7.210 -6.267 1.00 0.00 N ATOM 0 H ASN A 69 1.734 3.288 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 69 1.872 4.009 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.637 4.983 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.772 5.576 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.099 7.901 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.545 7.331 -6.518 1.00 0.00 H new ATOM 908 N GLY A 70 3.309 1.615 -8.643 1.00 0.00 N ATOM 909 CA GLY A 70 3.930 0.634 -9.478 1.00 0.00 C ATOM 910 C GLY A 70 5.238 0.136 -8.968 1.00 0.00 C ATOM 911 O GLY A 70 5.903 -0.668 -9.619 1.00 0.00 O ATOM 0 H GLY A 70 2.689 1.206 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.252 -0.212 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.078 1.060 -10.470 1.00 0.00 H new ATOM 915 N VAL A 71 5.652 0.570 -7.764 1.00 0.00 N ATOM 916 CA VAL A 71 6.902 0.220 -7.166 1.00 0.00 C ATOM 917 C VAL A 71 6.656 -0.952 -6.279 1.00 0.00 C ATOM 918 O VAL A 71 6.243 -0.824 -5.128 1.00 0.00 O ATOM 919 CB VAL A 71 7.596 1.293 -6.379 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.972 0.803 -5.896 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.794 2.531 -7.270 1.00 0.00 C ATOM 0 H VAL A 71 5.090 1.192 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 71 7.583 0.016 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 71 6.982 1.543 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.461 1.594 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.844 -0.074 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.588 0.541 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.298 3.312 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.401 2.263 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.824 2.896 -7.607 1.00 0.00 H new ATOM 931 N SER A 72 6.860 -2.164 -6.824 1.00 0.00 N ATOM 932 CA SER A 72 6.677 -3.392 -6.114 1.00 0.00 C ATOM 933 C SER A 72 7.721 -3.646 -5.080 1.00 0.00 C ATOM 934 O SER A 72 8.917 -3.461 -5.294 1.00 0.00 O ATOM 935 CB SER A 72 6.512 -4.609 -7.040 1.00 0.00 C ATOM 936 OG SER A 72 7.567 -4.731 -7.983 1.00 0.00 O ATOM 0 H SER A 72 7.162 -2.294 -7.790 1.00 0.00 H new ATOM 0 HA SER A 72 5.734 -3.257 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.464 -5.515 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.564 -4.529 -7.571 1.00 0.00 H new ATOM 0 HG SER A 72 7.414 -5.520 -8.544 1.00 0.00 H new ATOM 942 N LEU A 73 7.268 -4.078 -3.890 1.00 0.00 N ATOM 943 CA LEU A 73 8.036 -4.299 -2.703 1.00 0.00 C ATOM 944 C LEU A 73 8.757 -5.603 -2.729 1.00 0.00 C ATOM 945 O LEU A 73 8.625 -6.445 -1.842 1.00 0.00 O ATOM 946 CB LEU A 73 7.092 -4.221 -1.491 1.00 0.00 C ATOM 947 CG LEU A 73 6.562 -2.824 -1.129 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.192 -2.916 -0.435 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.503 -2.070 -0.174 1.00 0.00 C ATOM 0 H LEU A 73 6.281 -4.290 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 73 8.803 -3.528 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.239 -4.872 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.615 -4.624 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 73 6.487 -2.284 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.840 -1.914 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.478 -3.398 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.286 -3.501 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.084 -1.089 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.615 -2.637 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.478 -1.948 -0.645 1.00 0.00 H new ATOM 961 N GLU A 74 9.589 -5.817 -3.763 1.00 0.00 N ATOM 962 CA GLU A 74 10.347 -6.999 -4.035 1.00 0.00 C ATOM 963 C GLU A 74 11.506 -7.162 -3.113 1.00 0.00 C ATOM 964 O GLU A 74 12.642 -6.810 -3.425 1.00 0.00 O ATOM 965 CB GLU A 74 10.884 -6.969 -5.477 1.00 0.00 C ATOM 966 CG GLU A 74 9.814 -6.963 -6.570 1.00 0.00 C ATOM 967 CD GLU A 74 9.065 -8.284 -6.679 1.00 0.00 C ATOM 968 OE1 GLU A 74 9.730 -9.341 -6.846 1.00 0.00 O ATOM 969 OE2 GLU A 74 7.806 -8.271 -6.645 1.00 0.00 O ATOM 0 H GLU A 74 9.744 -5.099 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 74 9.667 -7.838 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.508 -6.084 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.528 -7.836 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.101 -6.163 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.283 -6.738 -7.528 1.00 0.00 H new ATOM 976 N GLY A 75 11.261 -7.699 -1.905 1.00 0.00 N ATOM 977 CA GLY A 75 12.263 -7.888 -0.901 1.00 0.00 C ATOM 978 C GLY A 75 12.441 -6.706 -0.011 1.00 0.00 C ATOM 979 O GLY A 75 13.522 -6.478 0.529 1.00 0.00 O ATOM 0 H GLY A 75 10.334 -8.013 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.999 -8.754 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.213 -8.115 -1.385 1.00 0.00 H new ATOM 983 N ALA A 76 11.371 -5.919 0.200 1.00 0.00 N ATOM 984 CA ALA A 76 11.383 -4.804 1.094 1.00 0.00 C ATOM 985 C ALA A 76 11.286 -5.224 2.521 1.00 0.00 C ATOM 986 O ALA A 76 10.740 -6.269 2.870 1.00 0.00 O ATOM 987 CB ALA A 76 10.281 -3.797 0.724 1.00 0.00 C ATOM 0 H ALA A 76 10.474 -6.062 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 76 12.347 -4.307 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.308 -2.956 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.445 -3.435 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.308 -4.284 0.783 1.00 0.00 H new ATOM 993 N THR A 77 11.888 -4.426 3.422 1.00 0.00 N ATOM 994 CA THR A 77 11.998 -4.662 4.828 1.00 0.00 C ATOM 995 C THR A 77 11.038 -3.778 5.548 1.00 0.00 C ATOM 996 O THR A 77 10.147 -3.192 4.935 1.00 0.00 O ATOM 997 CB THR A 77 13.384 -4.365 5.317 1.00 0.00 C ATOM 998 OG1 THR A 77 13.778 -3.012 5.141 1.00 0.00 O ATOM 999 CG2 THR A 77 14.393 -5.166 4.477 1.00 0.00 C ATOM 0 H THR A 77 12.331 -3.550 3.145 1.00 0.00 H new ATOM 0 HA THR A 77 11.775 -5.712 5.019 1.00 0.00 H new ATOM 0 HB THR A 77 13.374 -4.614 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.688 -2.889 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.404 -4.956 4.826 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.187 -6.231 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.303 -4.879 3.429 1.00 0.00 H new ATOM 1007 N HIS A 78 11.201 -3.581 6.868 1.00 0.00 N ATOM 1008 CA HIS A 78 10.477 -2.585 7.596 1.00 0.00 C ATOM 1009 C HIS A 78 10.865 -1.210 7.174 1.00 0.00 C ATOM 1010 O HIS A 78 10.012 -0.413 6.784 1.00 0.00 O ATOM 1011 CB HIS A 78 10.672 -2.717 9.115 1.00 0.00 C ATOM 1012 CG HIS A 78 10.063 -1.654 9.981 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.454 -1.524 11.288 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.184 -0.644 9.741 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.853 -0.474 11.818 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.067 0.067 10.906 1.00 0.00 N ATOM 0 H HIS A 78 11.848 -4.123 7.441 1.00 0.00 H new ATOM 0 HA HIS A 78 9.425 -2.751 7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.265 -3.679 9.425 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.743 -2.744 9.317 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.106 -2.140 11.774 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.676 -0.441 8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.983 -0.118 12.829 1.00 0.00 H new ATOM 1025 N LYS A 79 12.170 -0.883 7.207 1.00 0.00 N ATOM 1026 CA LYS A 79 12.699 0.378 6.793 1.00 0.00 C ATOM 1027 C LYS A 79 12.501 0.634 5.338 1.00 0.00 C ATOM 1028 O LYS A 79 12.034 1.701 4.939 1.00 0.00 O ATOM 1029 CB LYS A 79 14.193 0.458 7.146 1.00 0.00 C ATOM 1030 CG LYS A 79 14.913 1.722 6.668 1.00 0.00 C ATOM 1031 CD LYS A 79 16.321 1.822 7.258 1.00 0.00 C ATOM 1032 CE LYS A 79 17.252 2.792 6.528 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.697 4.164 6.504 1.00 0.00 N ATOM 0 H LYS A 79 12.888 -1.528 7.538 1.00 0.00 H new ATOM 0 HA LYS A 79 12.149 1.151 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.298 0.388 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.697 -0.410 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.973 1.718 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.335 2.601 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.242 2.130 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.774 0.831 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.226 2.801 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.412 2.445 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.449 4.847 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.315 4.368 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.936 4.243 7.209 1.00 0.00 H new ATOM 1047 N GLN A 80 12.799 -0.346 4.468 1.00 0.00 N ATOM 1048 CA GLN A 80 12.618 -0.196 3.058 1.00 0.00 C ATOM 1049 C GLN A 80 11.196 0.001 2.655 1.00 0.00 C ATOM 1050 O GLN A 80 10.907 0.861 1.825 1.00 0.00 O ATOM 1051 CB GLN A 80 13.246 -1.380 2.302 1.00 0.00 C ATOM 1052 CG GLN A 80 13.937 -0.935 1.011 1.00 0.00 C ATOM 1053 CD GLN A 80 14.494 -2.138 0.263 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.479 -2.752 0.673 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.829 -2.519 -0.860 1.00 0.00 N ATOM 0 H GLN A 80 13.170 -1.254 4.746 1.00 0.00 H new ATOM 0 HA GLN A 80 13.136 0.722 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.969 -1.879 2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.472 -2.111 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.228 -0.402 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.743 -0.239 1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.016 -1.990 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.143 -3.334 -1.387 1.00 0.00 H new ATOM 1064 N ALA A 81 10.230 -0.730 3.239 1.00 0.00 N ATOM 1065 CA ALA A 81 8.846 -0.491 2.973 1.00 0.00 C ATOM 1066 C ALA A 81 8.332 0.822 3.454 1.00 0.00 C ATOM 1067 O ALA A 81 7.571 1.473 2.741 1.00 0.00 O ATOM 1068 CB ALA A 81 7.975 -1.594 3.599 1.00 0.00 C ATOM 0 H ALA A 81 10.408 -1.489 3.897 1.00 0.00 H new ATOM 0 HA ALA A 81 8.778 -0.488 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.925 -1.394 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.253 -2.560 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.129 -1.611 4.678 1.00 0.00 H new ATOM 1074 N VAL A 82 8.772 1.295 4.634 1.00 0.00 N ATOM 1075 CA VAL A 82 8.505 2.622 5.095 1.00 0.00 C ATOM 1076 C VAL A 82 8.928 3.624 4.075 1.00 0.00 C ATOM 1077 O VAL A 82 8.097 4.400 3.607 1.00 0.00 O ATOM 1078 CB VAL A 82 9.130 2.942 6.419 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.180 4.448 6.728 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.322 2.239 7.523 1.00 0.00 C ATOM 0 H VAL A 82 9.328 0.740 5.285 1.00 0.00 H new ATOM 0 HA VAL A 82 7.427 2.674 5.244 1.00 0.00 H new ATOM 0 HB VAL A 82 10.162 2.592 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.645 4.604 7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.763 4.958 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.167 4.851 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.763 2.461 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.292 2.595 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.337 1.162 7.355 1.00 0.00 H new ATOM 1090 N GLU A 83 10.201 3.623 3.640 1.00 0.00 N ATOM 1091 CA GLU A 83 10.702 4.542 2.666 1.00 0.00 C ATOM 1092 C GLU A 83 10.096 4.433 1.309 1.00 0.00 C ATOM 1093 O GLU A 83 10.034 5.420 0.577 1.00 0.00 O ATOM 1094 CB GLU A 83 12.235 4.439 2.576 1.00 0.00 C ATOM 1095 CG GLU A 83 12.933 4.900 3.857 1.00 0.00 C ATOM 1096 CD GLU A 83 14.427 5.115 3.666 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.816 6.062 2.931 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.239 4.350 4.250 1.00 0.00 O ATOM 0 H GLU A 83 10.902 2.963 3.976 1.00 0.00 H new ATOM 0 HA GLU A 83 10.402 5.525 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.514 3.406 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.587 5.041 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.477 5.829 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.774 4.158 4.640 1.00 0.00 H new ATOM 1105 N THR A 84 9.568 3.257 0.924 1.00 0.00 N ATOM 1106 CA THR A 84 8.835 3.010 -0.279 1.00 0.00 C ATOM 1107 C THR A 84 7.550 3.764 -0.291 1.00 0.00 C ATOM 1108 O THR A 84 7.099 4.237 -1.334 1.00 0.00 O ATOM 1109 CB THR A 84 8.614 1.544 -0.505 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.865 0.878 -0.580 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.917 1.171 -1.824 1.00 0.00 C ATOM 0 H THR A 84 9.661 2.418 1.497 1.00 0.00 H new ATOM 0 HA THR A 84 9.440 3.374 -1.109 1.00 0.00 H new ATOM 0 HB THR A 84 7.980 1.251 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.136 0.589 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.808 0.088 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.932 1.637 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.516 1.523 -2.664 1.00 0.00 H new ATOM 1119 N LEU A 85 6.905 3.925 0.878 1.00 0.00 N ATOM 1120 CA LEU A 85 5.730 4.711 1.094 1.00 0.00 C ATOM 1121 C LEU A 85 5.994 6.141 1.418 1.00 0.00 C ATOM 1122 O LEU A 85 5.272 7.027 0.965 1.00 0.00 O ATOM 1123 CB LEU A 85 4.923 4.075 2.240 1.00 0.00 C ATOM 1124 CG LEU A 85 4.444 2.639 1.965 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.165 1.886 3.277 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.180 2.612 1.090 1.00 0.00 C ATOM 0 H LEU A 85 7.229 3.473 1.733 1.00 0.00 H new ATOM 0 HA LEU A 85 5.180 4.714 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.536 4.073 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.055 4.701 2.446 1.00 0.00 H new ATOM 0 HG LEU A 85 5.251 2.142 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.828 0.874 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.077 1.840 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.391 2.409 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.877 1.579 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.376 3.148 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.390 3.090 0.133 1.00 0.00 H new ATOM 1138 N ARG A 86 7.005 6.453 2.249 1.00 0.00 N ATOM 1139 CA ARG A 86 7.285 7.773 2.723 1.00 0.00 C ATOM 1140 C ARG A 86 8.067 8.658 1.815 1.00 0.00 C ATOM 1141 O ARG A 86 7.791 9.855 1.741 1.00 0.00 O ATOM 1142 CB ARG A 86 7.721 7.814 4.198 1.00 0.00 C ATOM 1143 CG ARG A 86 9.067 7.285 4.698 1.00 0.00 C ATOM 1144 CD ARG A 86 10.287 8.150 4.371 1.00 0.00 C ATOM 1145 NE ARG A 86 10.288 9.293 5.326 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.294 10.214 5.369 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.339 10.210 4.490 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.247 11.233 6.276 1.00 0.00 N ATOM 0 H ARG A 86 7.656 5.754 2.606 1.00 0.00 H new ATOM 0 HA ARG A 86 6.308 8.255 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.670 8.859 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.954 7.280 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.010 7.166 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.225 6.293 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.205 7.570 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.240 8.508 3.343 1.00 0.00 H new ATOM 0 HE ARG A 86 9.506 9.391 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.390 9.497 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.068 10.920 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.460 11.306 6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.999 11.922 6.309 1.00 0.00 H new ATOM 1162 N ASN A 87 9.042 8.152 1.037 1.00 0.00 N ATOM 1163 CA ASN A 87 9.795 8.950 0.120 1.00 0.00 C ATOM 1164 C ASN A 87 9.091 9.188 -1.171 1.00 0.00 C ATOM 1165 O ASN A 87 9.674 9.155 -2.255 1.00 0.00 O ATOM 1166 CB ASN A 87 11.192 8.395 -0.202 1.00 0.00 C ATOM 1167 CG ASN A 87 12.109 8.404 1.013 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.986 9.223 1.921 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.089 7.461 1.017 1.00 0.00 N ATOM 0 H ASN A 87 9.312 7.168 1.046 1.00 0.00 H new ATOM 0 HA ASN A 87 9.907 9.891 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.098 7.376 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.642 8.988 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.752 7.418 1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.161 6.797 0.246 1.00 0.00 H new ATOM 1176 N THR A 88 7.775 9.461 -1.116 1.00 0.00 N ATOM 1177 CA THR A 88 6.902 9.725 -2.218 1.00 0.00 C ATOM 1178 C THR A 88 6.576 11.178 -2.289 1.00 0.00 C ATOM 1179 O THR A 88 7.191 12.003 -1.616 1.00 0.00 O ATOM 1180 CB THR A 88 5.674 8.877 -2.052 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.044 9.107 -0.801 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.108 7.402 -2.049 1.00 0.00 C ATOM 0 H THR A 88 7.282 9.500 -0.224 1.00 0.00 H new ATOM 0 HA THR A 88 7.385 9.470 -3.161 1.00 0.00 H new ATOM 0 HB THR A 88 4.986 9.121 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.179 8.330 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.232 6.765 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.602 7.166 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.799 7.228 -1.224 1.00 0.00 H new ATOM 1190 N GLY A 89 5.595 11.570 -3.122 1.00 0.00 N ATOM 1191 CA GLY A 89 5.115 12.910 -3.257 1.00 0.00 C ATOM 1192 C GLY A 89 3.750 13.043 -2.673 1.00 0.00 C ATOM 1193 O GLY A 89 3.558 12.863 -1.472 1.00 0.00 O ATOM 0 H GLY A 89 5.110 10.915 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.798 13.598 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.094 13.189 -4.310 1.00 0.00 H new ATOM 1197 N GLN A 90 2.736 13.375 -3.492 1.00 0.00 N ATOM 1198 CA GLN A 90 1.377 13.495 -3.063 1.00 0.00 C ATOM 1199 C GLN A 90 0.637 12.212 -3.232 1.00 0.00 C ATOM 1200 O GLN A 90 0.209 11.607 -2.250 1.00 0.00 O ATOM 1201 CB GLN A 90 0.664 14.620 -3.833 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.839 14.779 -3.599 1.00 0.00 C ATOM 1203 CD GLN A 90 -1.249 15.652 -2.423 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -1.982 16.621 -2.619 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.822 15.306 -1.179 1.00 0.00 N ATOM 0 H GLN A 90 2.866 13.566 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 90 1.388 13.743 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.148 15.563 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.825 14.456 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.284 15.193 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.270 13.788 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.215 14.496 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.109 15.857 -0.370 1.00 0.00 H new ATOM 1214 N VAL A 91 0.425 11.762 -4.481 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.363 10.604 -4.772 1.00 0.00 C ATOM 1216 C VAL A 91 0.390 9.342 -4.523 1.00 0.00 C ATOM 1217 O VAL A 91 1.516 9.141 -4.976 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.963 10.588 -6.148 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.544 9.221 -6.543 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.069 11.656 -6.147 1.00 0.00 C ATOM 0 H VAL A 91 0.811 12.214 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.200 10.665 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.185 10.793 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.961 9.280 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.754 8.470 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.329 8.942 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.543 11.690 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.815 11.407 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.634 12.630 -5.921 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.267 8.449 -3.762 1.00 0.00 N ATOM 1231 CA VAL A 92 0.170 7.110 -3.512 1.00 0.00 C ATOM 1232 C VAL A 92 -0.906 6.198 -3.994 1.00 0.00 C ATOM 1233 O VAL A 92 -1.968 6.058 -3.391 1.00 0.00 O ATOM 1234 CB VAL A 92 0.499 6.951 -2.058 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.614 5.473 -1.648 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.826 7.681 -1.791 1.00 0.00 C ATOM 0 H VAL A 92 -1.147 8.672 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 92 1.087 6.862 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.308 7.378 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.853 5.407 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.333 4.968 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.403 4.995 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.090 7.582 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.612 7.243 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.717 8.737 -2.040 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.664 5.535 -5.139 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.404 4.411 -5.624 1.00 0.00 C ATOM 1248 C HIS A 93 -0.985 3.197 -4.869 1.00 0.00 C ATOM 1249 O HIS A 93 0.055 2.608 -5.158 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.216 4.121 -7.123 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.010 4.985 -8.059 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.461 6.134 -8.590 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.266 4.791 -8.543 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.401 6.633 -9.372 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.514 5.853 -9.388 1.00 0.00 N ATOM 0 H HIS A 93 0.096 5.801 -5.765 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.455 4.659 -5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.159 4.231 -7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.479 3.080 -7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.933 3.973 -8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.298 7.551 -9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.367 6.020 -9.921 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.782 2.774 -3.871 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.541 1.633 -3.044 1.00 0.00 C ATOM 1265 C LEU A 94 -2.060 0.431 -3.753 1.00 0.00 C ATOM 1266 O LEU A 94 -3.266 0.254 -3.922 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.266 1.737 -1.692 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.573 2.506 -0.554 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.083 1.993 0.803 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.046 2.324 -0.537 1.00 0.00 C ATOM 0 H LEU A 94 -2.646 3.258 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.470 1.570 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.235 2.205 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.461 0.724 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.806 3.557 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.590 2.540 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.160 2.145 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.860 0.930 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.379 2.893 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.193 1.268 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.374 2.682 -1.477 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.150 -0.459 -4.187 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.520 -1.733 -4.723 1.00 0.00 C ATOM 1284 C LEU A 95 -1.598 -2.714 -3.604 1.00 0.00 C ATOM 1285 O LEU A 95 -0.585 -3.215 -3.118 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.510 -2.183 -5.792 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.217 -2.697 -7.058 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.162 -3.008 -8.132 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.135 -3.900 -6.781 1.00 0.00 C ATOM 0 H LEU A 95 -0.144 -0.293 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.493 -1.665 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.142 -1.349 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.126 -2.969 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.879 -1.913 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.656 -3.373 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.397 -2.102 -8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.523 -3.770 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.607 -4.219 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.546 -4.721 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.904 -3.613 -6.064 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.835 -2.971 -3.144 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.146 -3.838 -2.050 1.00 0.00 C ATOM 1303 C LEU A 96 -3.699 -5.122 -2.565 1.00 0.00 C ATOM 1304 O LEU A 96 -4.426 -5.142 -3.557 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.191 -3.181 -1.133 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.654 -1.986 -0.329 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.767 -0.946 -0.107 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.056 -2.451 1.009 1.00 0.00 C ATOM 0 H LEU A 96 -3.666 -2.549 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.232 -4.026 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.034 -2.849 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.573 -3.930 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.856 -1.514 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.371 -0.106 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.130 -0.591 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.588 -1.404 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.683 -1.588 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.825 -2.952 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.236 -3.143 0.820 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.378 -6.247 -1.902 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.025 -7.510 -2.074 1.00 0.00 C ATOM 1322 C GLU A 97 -4.763 -7.776 -0.808 1.00 0.00 C ATOM 1323 O GLU A 97 -4.208 -7.783 0.290 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.064 -8.686 -2.319 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.708 -10.065 -2.473 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.786 -11.186 -2.016 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.756 -11.472 -2.684 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -3.091 -11.798 -0.958 1.00 0.00 O ATOM 0 H GLU A 97 -2.629 -6.277 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.659 -7.445 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.487 -8.475 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.357 -8.729 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.632 -10.099 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.979 -10.223 -3.517 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.077 -8.029 -0.948 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.007 -8.135 0.132 1.00 0.00 C ATOM 1337 C LYS A 98 -6.749 -9.298 1.029 1.00 0.00 C ATOM 1338 O LYS A 98 -6.703 -10.455 0.616 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.444 -8.184 -0.415 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.557 -8.153 0.635 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.641 -6.839 1.416 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.246 -6.977 2.815 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.660 -7.405 2.728 1.00 0.00 N ATOM 0 H LYS A 98 -6.511 -8.166 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.874 -7.245 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.584 -7.341 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.556 -9.091 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.512 -8.332 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.402 -8.972 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.639 -6.418 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.236 -6.127 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.675 -7.703 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.180 -6.025 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.055 -7.494 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.204 -6.699 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.715 -8.324 2.244 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.544 -9.003 2.325 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.142 -9.946 3.322 1.00 0.00 C ATOM 1359 C GLY A 99 -7.300 -10.602 3.990 1.00 0.00 C ATOM 1360 O GLY A 99 -7.599 -10.329 5.152 1.00 0.00 O ATOM 0 H GLY A 99 -6.665 -8.060 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.513 -10.708 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.534 -9.440 4.072 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.989 -11.490 3.250 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.958 -12.384 3.804 1.00 0.00 C ATOM 1366 C GLN A 100 -8.779 -13.719 3.165 1.00 0.00 C ATOM 1367 O GLN A 100 -8.363 -13.825 2.013 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.395 -11.865 3.631 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.449 -12.565 4.492 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.058 -12.510 5.962 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -10.443 -13.431 6.497 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -11.366 -11.366 6.631 1.00 0.00 N ATOM 0 H GLN A 100 -7.869 -11.589 2.242 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.799 -12.462 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.410 -10.800 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.678 -11.968 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.419 -12.088 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.554 -13.603 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.877 -10.621 6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.086 -11.254 7.605 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.050 -14.793 3.928 1.00 0.00 N ATOM 1382 CA VAL A 101 -8.802 -16.149 3.550 1.00 0.00 C ATOM 1383 C VAL A 101 -9.965 -16.687 2.790 1.00 0.00 C ATOM 1384 O VAL A 101 -11.085 -16.282 3.099 1.00 0.00 O ATOM 1385 CB VAL A 101 -8.518 -16.976 4.769 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -8.024 -18.384 4.397 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -7.433 -16.292 5.619 1.00 0.00 C ATOM 0 H VAL A 101 -9.464 -14.710 4.857 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.927 -16.191 2.901 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.450 -17.065 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.829 -18.953 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.786 -18.893 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.106 -18.305 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.229 -16.896 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.521 -16.190 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.779 -15.305 5.925 1.00 0.00 H new ATOM 1397 N PRO A 102 -9.847 -17.538 1.815 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.984 -18.149 1.190 1.00 0.00 C ATOM 1399 C PRO A 102 -11.772 -19.039 2.089 1.00 0.00 C ATOM 1400 O PRO A 102 -11.186 -19.848 2.857 1.00 0.00 O ATOM 1401 CB PRO A 102 -10.409 -18.981 0.047 1.00 0.00 C ATOM 1402 CG PRO A 102 -9.099 -18.264 -0.317 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.628 -17.729 1.045 1.00 0.00 C ATOM 1404 OXT PRO A 102 -13.029 -19.013 2.009 1.00 0.00 O ATOM 0 HA PRO A 102 -11.680 -17.371 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.227 -20.011 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.092 -19.018 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.372 -18.945 -0.760 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.261 -17.460 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.957 -18.434 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.080 -16.793 0.934 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 8.409 -3.245 18.604 1.00 0.00 N ATOM 1414 CA TYR B 205 9.236 -4.030 17.741 1.00 0.00 C ATOM 1415 C TYR B 205 9.336 -3.363 16.413 1.00 0.00 C ATOM 1416 O TYR B 205 10.394 -2.849 16.055 1.00 0.00 O ATOM 1417 CB TYR B 205 8.704 -5.473 17.690 1.00 0.00 C ATOM 1418 CG TYR B 205 9.712 -6.491 17.281 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.845 -6.697 18.033 1.00 0.00 C ATOM 1420 CD2 TYR B 205 9.453 -7.332 16.225 1.00 0.00 C ATOM 1421 CE1 TYR B 205 11.711 -7.723 17.737 1.00 0.00 C ATOM 1422 CE2 TYR B 205 10.307 -8.369 15.933 1.00 0.00 C ATOM 1423 CZ TYR B 205 11.439 -8.568 16.686 1.00 0.00 C ATOM 1424 OH TYR B 205 12.293 -9.651 16.390 1.00 0.00 O ATOM 0 HA TYR B 205 10.255 -4.100 18.123 1.00 0.00 H new ATOM 0 HB2 TYR B 205 8.317 -5.739 18.674 1.00 0.00 H new ATOM 0 HB3 TYR B 205 7.865 -5.513 16.996 1.00 0.00 H new ATOM 0 HD1 TYR B 205 11.057 -6.044 18.867 1.00 0.00 H new ATOM 0 HD2 TYR B 205 8.572 -7.177 15.620 1.00 0.00 H new ATOM 0 HE1 TYR B 205 12.603 -7.865 18.329 1.00 0.00 H new ATOM 0 HE2 TYR B 205 10.087 -9.030 15.108 1.00 0.00 H new ATOM 0 HH TYR B 205 11.944 -10.141 15.616 1.00 0.00 H new ATOM 1434 N LEU B 206 8.244 -3.313 15.630 1.00 0.00 N ATOM 1435 CA LEU B 206 8.178 -2.616 14.383 1.00 0.00 C ATOM 1436 C LEU B 206 7.085 -1.605 14.396 1.00 0.00 C ATOM 1437 O LEU B 206 6.767 -1.046 15.446 1.00 0.00 O ATOM 1438 CB LEU B 206 8.140 -3.558 13.168 1.00 0.00 C ATOM 1439 CG LEU B 206 6.869 -4.335 12.784 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.290 -5.374 11.730 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.192 -5.069 13.954 1.00 0.00 C ATOM 0 H LEU B 206 7.370 -3.778 15.876 1.00 0.00 H new ATOM 0 HA LEU B 206 9.111 -2.065 14.264 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.420 -2.963 12.299 1.00 0.00 H new ATOM 0 HB3 LEU B 206 8.928 -4.296 13.317 1.00 0.00 H new ATOM 0 HG LEU B 206 6.135 -3.615 12.422 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.420 -5.954 11.423 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.710 -4.863 10.863 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.039 -6.041 12.156 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.305 -5.589 13.593 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.887 -5.791 14.382 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.903 -4.347 14.718 1.00 0.00 H new ATOM 1453 N VAL B 207 6.464 -1.329 13.236 1.00 0.00 N ATOM 1454 CA VAL B 207 5.229 -0.619 13.105 1.00 0.00 C ATOM 1455 C VAL B 207 5.397 0.861 13.063 1.00 0.00 C ATOM 1456 O VAL B 207 5.814 1.533 14.006 1.00 0.00 O ATOM 1457 CB VAL B 207 4.104 -1.194 13.913 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.215 -0.142 14.596 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.319 -2.197 13.051 1.00 0.00 C ATOM 0 H VAL B 207 6.847 -1.619 12.336 1.00 0.00 H new ATOM 0 HA VAL B 207 4.852 -0.808 12.100 1.00 0.00 H new ATOM 0 HB VAL B 207 4.540 -1.729 14.757 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.427 -0.642 15.159 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.820 0.460 15.274 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.767 0.503 13.840 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.500 -2.617 13.636 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.916 -1.687 12.176 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.984 -2.999 12.730 1.00 0.00 H new ATOM 1469 N THR B 208 5.102 1.436 11.884 1.00 0.00 N ATOM 1470 CA THR B 208 5.340 2.814 11.585 1.00 0.00 C ATOM 1471 C THR B 208 4.130 3.234 10.824 1.00 0.00 C ATOM 1472 O THR B 208 3.873 2.656 9.769 1.00 0.00 O ATOM 1473 CB THR B 208 6.523 3.061 10.694 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.725 2.570 11.269 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.740 4.564 10.451 1.00 0.00 C ATOM 0 H THR B 208 4.682 0.922 11.110 1.00 0.00 H new ATOM 0 HA THR B 208 5.538 3.350 12.513 1.00 0.00 H new ATOM 0 HB THR B 208 6.301 2.543 9.761 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.905 1.668 10.931 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.604 4.707 9.802 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.855 4.987 9.975 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.915 5.065 11.403 1.00 0.00 H new ATOM 1483 N SER B 209 3.347 4.211 11.316 1.00 0.00 N ATOM 1484 CA SER B 209 2.290 4.822 10.571 1.00 0.00 C ATOM 1485 C SER B 209 2.870 5.717 9.531 1.00 0.00 C ATOM 1486 O SER B 209 3.780 6.502 9.788 1.00 0.00 O ATOM 1487 CB SER B 209 1.228 5.542 11.420 1.00 0.00 C ATOM 1488 OG SER B 209 1.758 6.612 12.186 1.00 0.00 O ATOM 0 H SER B 209 3.452 4.587 12.259 1.00 0.00 H new ATOM 0 HA SER B 209 1.736 4.011 10.098 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.446 5.925 10.764 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.758 4.822 12.090 1.00 0.00 H new ATOM 0 HG SER B 209 1.039 7.032 12.702 1.00 0.00 H new ATOM 1494 N VAL B 210 2.420 5.550 8.274 1.00 0.00 N ATOM 1495 CA VAL B 210 3.114 6.026 7.117 1.00 0.00 C ATOM 1496 C VAL B 210 2.027 6.111 6.056 1.00 0.00 C ATOM 1497 O VAL B 210 0.914 5.555 6.263 1.00 0.00 O ATOM 1498 CB VAL B 210 4.266 5.133 6.761 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.808 3.709 6.405 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.092 5.751 5.621 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.259 6.830 5.047 1.00 0.00 O ATOM 0 H VAL B 210 1.547 5.069 8.056 1.00 0.00 H new ATOM 0 HA VAL B 210 3.594 6.995 7.257 1.00 0.00 H new ATOM 0 HB VAL B 210 4.900 5.048 7.644 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.676 3.100 6.154 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.290 3.270 7.257 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.133 3.747 5.550 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.924 5.091 5.375 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.460 5.881 4.743 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.479 6.720 5.936 1.00 0.00 H new TER 1511 VAL B 210