USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 725 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 19 HIS : no HD1:sc= -0.407 X(o=-0.39,f=-0.23) USER MOD Set 1.2: A 55 HIS : no HE2:sc= 0.0152 X(o=-0.39,f=-0.46) USER MOD Set 2.1: A 8 HIS :FLIP no HD1:sc= -0.306 F(o=-0.36,f=0.15) USER MOD Set 2.2: A 37 THR OG1 : rot -169:sc= 0.453 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 146:sc= 0.0038 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.239 K(o=-0.23,f=-1.6) USER MOD Single : A 5 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -70:sc= 0.0317 USER MOD Single : A 9 MET CE :methyl -120:sc=-0.000895 (180deg=-2.84!) USER MOD Single : A 13 THR OG1 : rot 110:sc= -1.23 USER MOD Single : A 20 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0682) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0043) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.0331 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 38 THR OG1 : rot 0:sc= 0.704 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= 0.699 (180deg=-0.0113) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.544 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.69! X(o=-2.7!,f=-2.6) USER MOD Single : A 76 SER OG : rot 22:sc= 0.0726 USER MOD Single : A 77 GLN : amide:sc=-0.00776 X(o=-0.0078,f=-0.22) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -11.533 -18.369 9.955 1.00 75.00 N ATOM 2 CA HIS A 1 -10.546 -19.223 9.266 1.00 75.00 C ATOM 3 C HIS A 1 -9.355 -18.356 8.822 1.00 75.00 C ATOM 4 O HIS A 1 -9.549 -17.290 8.228 1.00 75.00 O ATOM 5 CB HIS A 1 -11.200 -19.940 8.049 1.00 75.00 C ATOM 6 CG HIS A 1 -10.321 -20.989 7.387 1.00 75.00 C ATOM 7 ND1 HIS A 1 -9.691 -20.806 6.171 1.00 75.00 N ATOM 8 CD2 HIS A 1 -9.993 -22.247 7.779 1.00 75.00 C ATOM 9 CE1 HIS A 1 -9.021 -21.896 5.855 1.00 75.00 C ATOM 10 NE2 HIS A 1 -9.189 -22.782 6.814 1.00 75.00 N ATOM 0 H1 HIS A 1 -12.492 -18.717 9.756 1.00 75.00 H new ATOM 0 H2 HIS A 1 -11.360 -18.397 10.980 1.00 75.00 H new ATOM 0 H3 HIS A 1 -11.443 -17.390 9.615 1.00 75.00 H new ATOM 0 HA HIS A 1 -10.190 -19.994 9.949 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -12.125 -20.414 8.377 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -11.472 -19.191 7.306 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -10.310 -22.735 8.688 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -8.433 -22.038 4.960 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -8.784 -23.718 6.833 1.00 75.00 H new ATOM 21 N HIS A 2 -8.126 -18.801 9.144 1.00 75.00 N ATOM 22 CA HIS A 2 -6.885 -18.138 8.692 1.00 75.00 C ATOM 23 C HIS A 2 -6.514 -18.627 7.282 1.00 75.00 C ATOM 24 O HIS A 2 -6.776 -19.789 6.933 1.00 75.00 O ATOM 25 CB HIS A 2 -5.707 -18.424 9.667 1.00 75.00 C ATOM 26 CG HIS A 2 -5.868 -17.845 11.050 1.00 75.00 C ATOM 27 ND1 HIS A 2 -6.042 -18.618 12.182 1.00 75.00 N ATOM 28 CD2 HIS A 2 -5.828 -16.559 11.485 1.00 75.00 C ATOM 29 CE1 HIS A 2 -6.099 -17.836 13.241 1.00 75.00 C ATOM 30 NE2 HIS A 2 -5.973 -16.589 12.844 1.00 75.00 N ATOM 0 H HIS A 2 -7.964 -19.626 9.722 1.00 75.00 H new ATOM 0 HA HIS A 2 -7.065 -17.063 8.674 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -5.581 -19.503 9.754 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -4.790 -18.030 9.229 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -5.705 -15.678 10.872 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -6.227 -18.164 14.262 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -5.982 -15.772 13.454 1.00 75.00 H new ATOM 39 N HIS A 3 -5.921 -17.725 6.487 1.00 75.00 N ATOM 40 CA HIS A 3 -5.395 -18.030 5.140 1.00 75.00 C ATOM 41 C HIS A 3 -4.327 -16.985 4.758 1.00 75.00 C ATOM 42 O HIS A 3 -4.410 -15.823 5.185 1.00 75.00 O ATOM 43 CB HIS A 3 -6.532 -18.079 4.075 1.00 75.00 C ATOM 44 CG HIS A 3 -7.160 -16.745 3.736 1.00 75.00 C ATOM 45 ND1 HIS A 3 -7.191 -16.224 2.459 1.00 75.00 N ATOM 46 CD2 HIS A 3 -7.801 -15.843 4.512 1.00 75.00 C ATOM 47 CE1 HIS A 3 -7.821 -15.071 2.471 1.00 75.00 C ATOM 48 NE2 HIS A 3 -8.204 -14.816 3.703 1.00 75.00 N ATOM 0 H HIS A 3 -5.789 -16.751 6.760 1.00 75.00 H new ATOM 0 HA HIS A 3 -4.939 -19.020 5.163 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -6.132 -18.516 3.160 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -7.314 -18.749 4.433 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -7.965 -15.919 5.577 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -7.995 -14.439 1.613 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -8.717 -13.988 4.006 1.00 75.00 H new ATOM 57 N HIS A 4 -3.332 -17.409 3.954 1.00 75.00 N ATOM 58 CA HIS A 4 -2.232 -16.537 3.505 1.00 75.00 C ATOM 59 C HIS A 4 -1.626 -17.042 2.188 1.00 75.00 C ATOM 60 O HIS A 4 -2.021 -18.079 1.656 1.00 75.00 O ATOM 61 CB HIS A 4 -1.128 -16.423 4.593 1.00 75.00 C ATOM 62 CG HIS A 4 -0.398 -17.713 4.871 1.00 75.00 C ATOM 63 ND1 HIS A 4 0.769 -18.069 4.230 1.00 75.00 N ATOM 64 CD2 HIS A 4 -0.683 -18.737 5.712 1.00 75.00 C ATOM 65 CE1 HIS A 4 1.160 -19.250 4.658 1.00 75.00 C ATOM 66 NE2 HIS A 4 0.300 -19.675 5.557 1.00 75.00 N ATOM 0 H HIS A 4 -3.269 -18.363 3.599 1.00 75.00 H new ATOM 0 HA HIS A 4 -2.652 -15.546 3.333 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -0.405 -15.669 4.283 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -1.581 -16.068 5.519 1.00 75.00 H new ATOM 0 HD1 HIS A 4 1.254 -17.505 3.532 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -1.529 -18.800 6.380 1.00 75.00 H new ATOM 0 HE1 HIS A 4 2.040 -19.781 4.326 1.00 75.00 H new ATOM 75 N HIS A 5 -0.667 -16.261 1.671 1.00 75.00 N ATOM 76 CA HIS A 5 0.110 -16.576 0.461 1.00 75.00 C ATOM 77 C HIS A 5 1.607 -16.391 0.794 1.00 75.00 C ATOM 78 O HIS A 5 1.962 -16.103 1.951 1.00 75.00 O ATOM 79 CB HIS A 5 -0.321 -15.654 -0.719 1.00 75.00 C ATOM 80 CG HIS A 5 -1.781 -15.754 -1.094 1.00 75.00 C ATOM 81 ND1 HIS A 5 -2.239 -16.473 -2.174 1.00 75.00 N ATOM 82 CD2 HIS A 5 -2.885 -15.220 -0.517 1.00 75.00 C ATOM 83 CE1 HIS A 5 -3.552 -16.373 -2.241 1.00 75.00 C ATOM 84 NE2 HIS A 5 -3.968 -15.620 -1.246 1.00 75.00 N ATOM 0 H HIS A 5 -0.403 -15.370 2.092 1.00 75.00 H new ATOM 0 HA HIS A 5 -0.073 -17.604 0.150 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -0.097 -14.620 -0.456 1.00 75.00 H new ATOM 0 HB3 HIS A 5 0.283 -15.898 -1.593 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -2.905 -14.591 0.361 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -4.181 -16.833 -2.989 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -4.939 -15.375 -1.051 1.00 75.00 H new ATOM 93 N HIS A 6 2.480 -16.591 -0.209 1.00 75.00 N ATOM 94 CA HIS A 6 3.923 -16.275 -0.099 1.00 75.00 C ATOM 95 C HIS A 6 4.092 -14.762 -0.325 1.00 75.00 C ATOM 96 O HIS A 6 4.424 -14.299 -1.420 1.00 75.00 O ATOM 97 CB HIS A 6 4.749 -17.128 -1.097 1.00 75.00 C ATOM 98 CG HIS A 6 4.633 -18.605 -0.834 1.00 75.00 C ATOM 99 ND1 HIS A 6 3.829 -19.443 -1.574 1.00 75.00 N ATOM 100 CD2 HIS A 6 5.219 -19.389 0.105 1.00 75.00 C ATOM 101 CE1 HIS A 6 3.922 -20.666 -1.104 1.00 75.00 C ATOM 102 NE2 HIS A 6 4.757 -20.660 -0.089 1.00 75.00 N ATOM 0 H HIS A 6 2.211 -16.974 -1.115 1.00 75.00 H new ATOM 0 HA HIS A 6 4.303 -16.527 0.891 1.00 75.00 H new ATOM 0 HB2 HIS A 6 4.414 -16.917 -2.113 1.00 75.00 H new ATOM 0 HB3 HIS A 6 5.797 -16.834 -1.039 1.00 75.00 H new ATOM 0 HD2 HIS A 6 5.919 -19.069 0.863 1.00 75.00 H new ATOM 0 HE1 HIS A 6 3.400 -21.531 -1.487 1.00 75.00 H new ATOM 0 HE2 HIS A 6 5.019 -21.475 0.466 1.00 75.00 H new ATOM 111 N SER A 7 3.796 -14.011 0.740 1.00 75.00 N ATOM 112 CA SER A 7 3.512 -12.566 0.691 1.00 75.00 C ATOM 113 C SER A 7 4.637 -11.709 1.309 1.00 75.00 C ATOM 114 O SER A 7 5.709 -12.218 1.656 1.00 75.00 O ATOM 115 CB SER A 7 2.189 -12.337 1.464 1.00 75.00 C ATOM 116 OG SER A 7 1.131 -13.099 0.900 1.00 75.00 O ATOM 0 H SER A 7 3.745 -14.396 1.683 1.00 75.00 H new ATOM 0 HA SER A 7 3.436 -12.256 -0.351 1.00 75.00 H new ATOM 0 HB2 SER A 7 2.323 -12.612 2.510 1.00 75.00 H new ATOM 0 HB3 SER A 7 1.930 -11.278 1.444 1.00 75.00 H new ATOM 0 HG SER A 7 0.889 -12.726 0.027 1.00 75.00 H new ATOM 122 N HIS A 8 4.373 -10.388 1.391 1.00 50.00 N ATOM 123 CA HIS A 8 5.104 -9.469 2.275 1.00 50.00 C ATOM 124 C HIS A 8 4.668 -9.774 3.720 1.00 50.00 C ATOM 125 O HIS A 8 3.483 -10.078 3.946 1.00 50.00 O ATOM 126 CB HIS A 8 4.775 -7.991 1.917 1.00 50.00 C ATOM 127 CG HIS A 8 5.299 -7.540 0.576 1.00 50.00 C ATOM 128 ND1 HIS A 8 4.866 -7.785 -0.683 1.00 75.00 N flip ATOM 129 CD2 HIS A 8 6.401 -6.724 0.439 1.00 75.00 C flip ATOM 130 CE1 HIS A 8 5.705 -7.132 -1.538 1.00 75.00 C flip ATOM 131 NE2 HIS A 8 6.619 -6.497 -0.839 1.00 75.00 N flip ATOM 0 H HIS A 8 3.644 -9.932 0.842 1.00 50.00 H new ATOM 0 HA HIS A 8 6.179 -9.606 2.159 1.00 50.00 H new ATOM 0 HB2 HIS A 8 3.693 -7.859 1.933 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.187 -7.343 2.690 1.00 50.00 H new ATOM 0 HD2 HIS A 8 6.993 -6.332 1.253 1.00 75.00 H new ATOM 0 HE1 HIS A 8 5.630 -7.136 -2.615 1.00 75.00 H new ATOM 0 HE2 HIS A 8 7.371 -5.924 -1.222 1.00 75.00 H new ATOM 140 N MET A 9 5.615 -9.722 4.686 1.00 10.00 N ATOM 141 CA MET A 9 5.310 -10.024 6.106 1.00 10.00 C ATOM 142 C MET A 9 4.375 -8.940 6.685 1.00 10.00 C ATOM 143 O MET A 9 4.417 -7.780 6.235 1.00 50.00 O ATOM 144 CB MET A 9 6.601 -10.177 6.979 1.00 50.00 C ATOM 145 CG MET A 9 7.401 -8.902 7.278 1.00 50.00 C ATOM 146 SD MET A 9 8.801 -9.255 8.370 1.00 50.00 S ATOM 147 CE MET A 9 9.443 -7.621 8.722 1.00 75.00 C ATOM 0 H MET A 9 6.589 -9.476 4.511 1.00 10.00 H new ATOM 0 HA MET A 9 4.803 -10.989 6.136 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.314 -10.627 7.930 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.265 -10.883 6.480 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.763 -8.469 6.346 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.751 -8.161 7.743 1.00 50.00 H new ATOM 0 HE1 MET A 9 10.476 -7.555 8.381 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.841 -6.874 8.204 1.00 75.00 H new ATOM 0 HE3 MET A 9 9.403 -7.438 9.796 1.00 75.00 H new ATOM 157 N VAL A 10 3.537 -9.340 7.668 1.00 10.00 N ATOM 158 CA VAL A 10 2.504 -8.476 8.273 1.00 10.00 C ATOM 159 C VAL A 10 3.134 -7.197 8.863 1.00 10.00 C ATOM 160 O VAL A 10 4.212 -7.246 9.457 1.00 50.00 O ATOM 161 CB VAL A 10 1.659 -9.252 9.372 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.912 -10.458 8.743 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.526 -9.712 10.580 1.00 50.00 C ATOM 0 H VAL A 10 3.561 -10.279 8.065 1.00 10.00 H new ATOM 0 HA VAL A 10 1.816 -8.184 7.480 1.00 10.00 H new ATOM 0 HB VAL A 10 0.925 -8.546 9.760 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.340 -10.974 9.514 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.235 -10.102 7.967 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.635 -11.146 8.306 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.898 -10.237 11.300 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.313 -10.380 10.230 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.976 -8.841 11.058 1.00 50.00 H new ATOM 173 N GLY A 11 2.493 -6.046 8.622 1.00 10.00 N ATOM 174 CA GLY A 11 2.986 -4.780 9.157 1.00 10.00 C ATOM 175 C GLY A 11 3.922 -4.028 8.216 1.00 10.00 C ATOM 176 O GLY A 11 4.547 -3.049 8.650 1.00 50.00 O ATOM 0 H GLY A 11 1.641 -5.970 8.066 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.135 -4.141 9.392 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.508 -4.973 10.094 1.00 10.00 H new ATOM 180 N ASP A 12 4.031 -4.494 6.947 1.00 10.00 N ATOM 181 CA ASP A 12 4.955 -3.917 5.928 1.00 10.00 C ATOM 182 C ASP A 12 4.723 -2.398 5.742 1.00 10.00 C ATOM 183 O ASP A 12 3.672 -1.989 5.239 1.00 50.00 O ATOM 184 CB ASP A 12 4.754 -4.640 4.569 1.00 50.00 C ATOM 185 CG ASP A 12 5.706 -4.214 3.420 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.629 -3.401 3.628 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.507 -4.693 2.283 1.00 50.00 O ATOM 0 H ASP A 12 3.483 -5.280 6.597 1.00 10.00 H new ATOM 0 HA ASP A 12 5.975 -4.063 6.283 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.870 -5.712 4.730 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.727 -4.476 4.242 1.00 50.00 H new ATOM 192 N THR A 13 5.734 -1.583 6.103 1.00 10.00 N ATOM 193 CA THR A 13 5.617 -0.120 6.073 1.00 10.00 C ATOM 194 C THR A 13 5.683 0.366 4.614 1.00 10.00 C ATOM 195 O THR A 13 6.742 0.319 3.988 1.00 50.00 O ATOM 196 CB THR A 13 6.752 0.559 6.908 1.00 50.00 C ATOM 197 OG1 THR A 13 6.966 -0.168 8.133 1.00 50.00 O ATOM 198 CG2 THR A 13 6.422 2.032 7.227 1.00 50.00 C ATOM 0 H THR A 13 6.643 -1.920 6.420 1.00 10.00 H new ATOM 0 HA THR A 13 4.661 0.158 6.517 1.00 10.00 H new ATOM 0 HB THR A 13 7.661 0.541 6.307 1.00 50.00 H new ATOM 0 HG1 THR A 13 7.831 -0.627 8.094 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.234 2.469 7.808 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.301 2.587 6.297 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.497 2.081 7.802 1.00 50.00 H new ATOM 206 N VAL A 14 4.538 0.806 4.073 1.00 10.00 N ATOM 207 CA VAL A 14 4.417 1.246 2.666 1.00 10.00 C ATOM 208 C VAL A 14 3.614 2.555 2.566 1.00 10.00 C ATOM 209 O VAL A 14 2.960 2.976 3.524 1.00 50.00 O ATOM 210 CB VAL A 14 3.735 0.152 1.767 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.596 -1.128 1.663 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.301 -0.165 2.263 1.00 50.00 C ATOM 0 H VAL A 14 3.665 0.869 4.596 1.00 10.00 H new ATOM 0 HA VAL A 14 5.431 1.412 2.301 1.00 10.00 H new ATOM 0 HB VAL A 14 3.655 0.562 0.760 1.00 50.00 H new ATOM 0 HG11 VAL A 14 4.088 -1.858 1.033 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.563 -0.881 1.225 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.745 -1.548 2.658 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.854 -0.925 1.622 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.344 -0.534 3.288 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.696 0.741 2.228 1.00 50.00 H new ATOM 222 N TRP A 15 3.701 3.196 1.393 1.00 10.00 N ATOM 223 CA TRP A 15 2.894 4.366 1.025 1.00 10.00 C ATOM 224 C TRP A 15 2.013 3.983 -0.173 1.00 10.00 C ATOM 225 O TRP A 15 2.512 3.419 -1.154 1.00 50.00 O ATOM 226 CB TRP A 15 3.815 5.572 0.669 1.00 50.00 C ATOM 227 CG TRP A 15 4.606 6.133 1.840 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.223 6.174 3.154 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.917 6.731 1.797 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.198 6.760 3.919 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.250 7.106 3.113 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.839 6.972 0.775 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.457 7.725 3.431 1.00 50.00 C ATOM 234 CZ3 TRP A 15 8.039 7.585 1.090 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.342 7.949 2.411 1.00 50.00 C ATOM 0 H TRP A 15 4.348 2.909 0.658 1.00 10.00 H new ATOM 0 HA TRP A 15 2.267 4.668 1.864 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.513 5.262 -0.108 1.00 50.00 H new ATOM 0 HB3 TRP A 15 3.202 6.368 0.247 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.285 5.798 3.534 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.148 6.914 4.926 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.619 6.685 -0.243 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.686 8.017 4.445 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.754 7.787 0.306 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.292 8.415 2.627 1.00 50.00 H new ATOM 246 N VAL A 16 0.708 4.293 -0.081 1.00 10.00 N ATOM 247 CA VAL A 16 -0.279 4.026 -1.141 1.00 10.00 C ATOM 248 C VAL A 16 -0.651 5.372 -1.791 1.00 10.00 C ATOM 249 O VAL A 16 -1.268 6.240 -1.150 1.00 50.00 O ATOM 250 CB VAL A 16 -1.572 3.317 -0.576 1.00 50.00 C ATOM 251 CG1 VAL A 16 -2.590 3.029 -1.708 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.205 2.014 0.183 1.00 50.00 C ATOM 0 H VAL A 16 0.305 4.741 0.742 1.00 10.00 H new ATOM 0 HA VAL A 16 0.157 3.348 -1.874 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.043 3.999 0.133 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -3.470 2.541 -1.290 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -2.885 3.967 -2.180 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.132 2.377 -2.452 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.113 1.545 0.562 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -0.699 1.328 -0.496 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -0.545 2.252 1.017 1.00 50.00 H new ATOM 262 N ARG A 17 -0.212 5.551 -3.047 1.00 10.00 N ATOM 263 CA ARG A 17 -0.363 6.805 -3.792 1.00 10.00 C ATOM 264 C ARG A 17 -1.737 6.864 -4.487 1.00 10.00 C ATOM 265 O ARG A 17 -1.979 6.167 -5.476 1.00 50.00 O ATOM 266 CB ARG A 17 0.806 6.961 -4.801 1.00 50.00 C ATOM 267 CG ARG A 17 0.836 8.314 -5.541 1.00 50.00 C ATOM 268 CD ARG A 17 2.069 8.495 -6.439 1.00 50.00 C ATOM 269 NE ARG A 17 2.176 7.471 -7.494 1.00 50.00 N ATOM 270 CZ ARG A 17 3.215 7.351 -8.343 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.259 8.187 -8.282 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.205 6.393 -9.259 1.00 75.00 N ATOM 0 H ARG A 17 0.262 4.820 -3.577 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.321 7.644 -3.097 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.748 6.831 -4.269 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.743 6.160 -5.537 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.063 8.406 -6.150 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.809 9.120 -4.808 1.00 50.00 H new ATOM 0 HD2 ARG A 17 2.032 9.481 -6.902 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.967 8.466 -5.822 1.00 50.00 H new ATOM 0 HE ARG A 17 1.408 6.806 -7.588 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.277 8.931 -7.584 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.037 8.080 -8.933 1.00 75.00 H new ATOM 0 HH21 ARG A 17 2.414 5.752 -9.318 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.989 6.297 -9.905 1.00 75.00 H new ATOM 286 N ARG A 18 -2.627 7.694 -3.926 1.00 10.00 N ATOM 287 CA ARG A 18 -4.016 7.866 -4.382 1.00 10.00 C ATOM 288 C ARG A 18 -4.131 9.022 -5.389 1.00 10.00 C ATOM 289 O ARG A 18 -3.506 10.078 -5.206 1.00 50.00 O ATOM 290 CB ARG A 18 -4.918 8.149 -3.155 1.00 50.00 C ATOM 291 CG ARG A 18 -6.422 8.298 -3.480 1.00 50.00 C ATOM 292 CD ARG A 18 -7.277 8.541 -2.227 1.00 50.00 C ATOM 293 NE ARG A 18 -7.181 7.431 -1.264 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.785 7.390 -0.066 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.550 8.393 0.369 1.00 75.00 N ATOM 296 NH2 ARG A 18 -7.615 6.331 0.701 1.00 75.00 N ATOM 0 H ARG A 18 -2.397 8.279 -3.123 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.336 6.952 -4.882 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.794 7.340 -2.436 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.573 9.062 -2.670 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.559 9.126 -4.175 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.772 7.397 -3.985 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.959 9.466 -1.746 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.318 8.676 -2.520 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.609 6.629 -1.529 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.688 9.219 -0.214 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -8.997 8.334 1.284 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -7.031 5.558 0.381 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -8.067 6.285 1.614 1.00 75.00 H new ATOM 310 N HIS A 19 -4.950 8.812 -6.447 1.00 50.00 N ATOM 311 CA HIS A 19 -5.329 9.870 -7.404 1.00 50.00 C ATOM 312 C HIS A 19 -6.321 10.827 -6.716 1.00 50.00 C ATOM 313 O HIS A 19 -7.521 10.526 -6.643 1.00 75.00 O ATOM 314 CB HIS A 19 -6.002 9.289 -8.691 1.00 75.00 C ATOM 315 CG HIS A 19 -5.205 8.274 -9.462 1.00 75.00 C ATOM 316 ND1 HIS A 19 -5.798 7.257 -10.173 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.876 8.148 -9.681 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.874 6.560 -10.790 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.699 7.076 -10.511 1.00 75.00 N ATOM 0 H HIS A 19 -5.364 7.904 -6.658 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.420 10.389 -7.707 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -6.950 8.833 -8.405 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -6.236 10.118 -9.358 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.098 8.778 -9.275 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -5.050 5.703 -11.423 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -2.802 6.734 -10.856 1.00 75.00 H new ATOM 328 N GLN A 20 -5.811 11.935 -6.151 1.00 75.00 N ATOM 329 CA GLN A 20 -6.664 13.040 -5.657 1.00 75.00 C ATOM 330 C GLN A 20 -7.341 13.719 -6.869 1.00 75.00 C ATOM 331 O GLN A 20 -8.507 14.138 -6.814 1.00 75.00 O ATOM 332 CB GLN A 20 -5.824 14.059 -4.834 1.00 75.00 C ATOM 333 CG GLN A 20 -5.078 13.448 -3.627 1.00 75.00 C ATOM 334 CD GLN A 20 -6.001 12.818 -2.577 1.00 75.00 C ATOM 335 OE1 GLN A 20 -6.312 11.630 -2.633 1.00 75.00 O ATOM 336 NE2 GLN A 20 -6.440 13.608 -1.611 1.00 75.00 N ATOM 0 H GLN A 20 -4.811 12.093 -6.023 1.00 75.00 H new ATOM 0 HA GLN A 20 -7.431 12.646 -4.990 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -5.096 14.528 -5.495 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -6.484 14.849 -4.475 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -4.384 12.689 -3.988 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -4.480 14.225 -3.151 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -6.165 14.590 -1.591 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -7.054 13.235 -0.887 1.00 75.00 H new ATOM 345 N THR A 21 -6.572 13.783 -7.967 1.00 75.00 N ATOM 346 CA THR A 21 -7.042 14.139 -9.312 1.00 75.00 C ATOM 347 C THR A 21 -6.315 13.214 -10.321 1.00 75.00 C ATOM 348 O THR A 21 -5.171 12.806 -10.068 1.00 75.00 O ATOM 349 CB THR A 21 -6.760 15.646 -9.634 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.297 16.473 -8.592 1.00 75.00 O ATOM 351 CG2 THR A 21 -7.366 16.085 -10.979 1.00 75.00 C ATOM 0 H THR A 21 -5.572 13.581 -7.940 1.00 75.00 H new ATOM 0 HA THR A 21 -8.121 14.002 -9.378 1.00 75.00 H new ATOM 0 HB THR A 21 -5.678 15.760 -9.700 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.117 17.414 -8.796 1.00 75.00 H new ATOM 0 HG21 THR A 21 -7.141 17.137 -11.153 1.00 75.00 H new ATOM 0 HG22 THR A 21 -6.940 15.485 -11.783 1.00 75.00 H new ATOM 0 HG23 THR A 21 -8.447 15.944 -10.955 1.00 75.00 H new ATOM 359 N LYS A 22 -6.985 12.864 -11.436 1.00 75.00 N ATOM 360 CA LYS A 22 -6.434 11.949 -12.460 1.00 75.00 C ATOM 361 C LYS A 22 -5.398 12.670 -13.350 1.00 75.00 C ATOM 362 O LYS A 22 -4.300 12.147 -13.583 1.00 75.00 O ATOM 363 CB LYS A 22 -7.581 11.359 -13.333 1.00 75.00 C ATOM 364 CG LYS A 22 -8.620 10.527 -12.541 1.00 75.00 C ATOM 365 CD LYS A 22 -9.752 9.955 -13.431 1.00 75.00 C ATOM 366 CE LYS A 22 -10.658 11.039 -14.056 1.00 75.00 C ATOM 367 NZ LYS A 22 -11.336 11.871 -13.022 1.00 75.00 N ATOM 0 H LYS A 22 -7.921 13.205 -11.654 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.928 11.132 -11.946 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -8.096 12.177 -13.837 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -7.145 10.730 -14.109 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -8.110 9.704 -12.039 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -9.059 11.152 -11.763 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -9.309 9.360 -14.229 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -10.366 9.281 -12.834 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -10.060 11.682 -14.702 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -11.409 10.563 -14.687 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -12.009 12.516 -13.482 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -11.846 11.253 -12.359 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -10.626 12.425 -12.502 1.00 75.00 H new ATOM 381 N ASN A 23 -5.760 13.879 -13.840 1.00 75.00 N ATOM 382 CA ASN A 23 -4.901 14.663 -14.769 1.00 75.00 C ATOM 383 C ASN A 23 -3.750 15.380 -14.036 1.00 50.00 C ATOM 384 O ASN A 23 -2.753 15.770 -14.663 1.00 50.00 O ATOM 385 CB ASN A 23 -5.751 15.681 -15.581 1.00 50.00 C ATOM 386 CG ASN A 23 -6.738 14.993 -16.528 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.895 14.757 -16.182 1.00 75.00 O ATOM 388 ND2 ASN A 23 -6.276 14.640 -17.724 1.00 75.00 N ATOM 0 H ASN A 23 -6.642 14.336 -13.609 1.00 75.00 H new ATOM 0 HA ASN A 23 -4.449 13.952 -15.461 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.300 16.323 -14.892 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.088 16.326 -16.158 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -6.886 14.159 -18.385 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.311 14.850 -17.981 1.00 75.00 H new ATOM 395 N LEU A 24 -3.901 15.567 -12.716 1.00 10.00 N ATOM 396 CA LEU A 24 -2.825 16.109 -11.854 1.00 50.00 C ATOM 397 C LEU A 24 -2.057 14.947 -11.188 1.00 50.00 C ATOM 398 O LEU A 24 -2.562 13.819 -11.135 1.00 50.00 O ATOM 399 CB LEU A 24 -3.400 17.081 -10.783 1.00 50.00 C ATOM 400 CG LEU A 24 -4.224 18.307 -11.306 1.00 75.00 C ATOM 401 CD1 LEU A 24 -4.558 19.285 -10.159 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.518 19.027 -12.476 1.00 75.00 C ATOM 0 H LEU A 24 -4.762 15.351 -12.214 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.134 16.679 -12.475 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.037 16.506 -10.111 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.569 17.460 -10.188 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.164 17.918 -11.697 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -5.130 20.125 -10.552 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.146 18.769 -9.400 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -3.634 19.652 -9.713 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.126 19.870 -12.805 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -2.544 19.389 -12.146 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.384 18.331 -13.304 1.00 75.00 H new ATOM 414 N GLU A 25 -0.834 15.236 -10.704 1.00 50.00 N ATOM 415 CA GLU A 25 0.047 14.225 -10.091 1.00 10.00 C ATOM 416 C GLU A 25 -0.535 13.714 -8.748 1.00 10.00 C ATOM 417 O GLU A 25 -0.918 14.528 -7.901 1.00 50.00 O ATOM 418 CB GLU A 25 1.475 14.793 -9.883 1.00 50.00 C ATOM 419 CG GLU A 25 2.187 15.204 -11.187 1.00 50.00 C ATOM 420 CD GLU A 25 3.678 15.516 -10.975 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.460 14.565 -10.769 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.076 16.698 -10.997 1.00 75.00 O ATOM 0 H GLU A 25 -0.431 16.173 -10.727 1.00 50.00 H new ATOM 0 HA GLU A 25 0.108 13.379 -10.776 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.417 15.660 -9.225 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.081 14.045 -9.372 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.088 14.402 -11.919 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.692 16.080 -11.606 1.00 50.00 H new ATOM 429 N PRO A 26 -0.593 12.360 -8.527 1.00 10.00 N ATOM 430 CA PRO A 26 -1.289 11.756 -7.365 1.00 50.00 C ATOM 431 C PRO A 26 -0.510 11.930 -6.033 1.00 10.00 C ATOM 432 O PRO A 26 0.721 12.031 -6.030 1.00 50.00 O ATOM 433 CB PRO A 26 -1.425 10.255 -7.772 1.00 50.00 C ATOM 434 CG PRO A 26 -0.922 10.156 -9.193 1.00 50.00 C ATOM 435 CD PRO A 26 0.027 11.307 -9.369 1.00 50.00 C ATOM 0 HA PRO A 26 -2.247 12.235 -7.163 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -0.842 9.617 -7.107 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.462 9.925 -7.702 1.00 50.00 H new ATOM 0 HG2 PRO A 26 -0.419 9.204 -9.365 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -1.745 10.215 -9.905 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.034 11.059 -9.034 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.105 11.614 -10.412 1.00 50.00 H new ATOM 443 N ARG A 27 -1.253 11.927 -4.913 1.00 10.00 N ATOM 444 CA ARG A 27 -0.708 12.139 -3.555 1.00 10.00 C ATOM 445 C ARG A 27 -0.492 10.792 -2.864 1.00 10.00 C ATOM 446 O ARG A 27 -1.436 10.002 -2.749 1.00 50.00 O ATOM 447 CB ARG A 27 -1.694 13.003 -2.730 1.00 50.00 C ATOM 448 CG ARG A 27 -1.305 13.232 -1.247 1.00 50.00 C ATOM 449 CD ARG A 27 -2.397 13.987 -0.465 1.00 50.00 C ATOM 450 NE ARG A 27 -2.739 15.282 -1.096 1.00 50.00 N ATOM 451 CZ ARG A 27 -3.848 16.009 -0.854 1.00 75.00 C ATOM 452 NH1 ARG A 27 -4.775 15.600 0.013 1.00 75.00 N ATOM 453 NH2 ARG A 27 -4.024 17.155 -1.493 1.00 75.00 N ATOM 0 H ARG A 27 -2.262 11.776 -4.922 1.00 10.00 H new ATOM 0 HA ARG A 27 0.249 12.656 -3.628 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.792 13.974 -3.215 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.676 12.531 -2.761 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.119 12.270 -0.770 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.373 13.796 -1.201 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -3.292 13.367 -0.402 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -2.057 14.160 0.556 1.00 50.00 H new ATOM 0 HE ARG A 27 -2.076 15.658 -1.774 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -4.654 14.718 0.511 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -5.605 16.169 0.178 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -3.324 17.479 -2.160 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -4.859 17.713 -1.318 1.00 75.00 H new ATOM 467 N TRP A 28 0.746 10.531 -2.409 1.00 10.00 N ATOM 468 CA TRP A 28 1.052 9.345 -1.599 1.00 10.00 C ATOM 469 C TRP A 28 0.498 9.542 -0.176 1.00 10.00 C ATOM 470 O TRP A 28 0.515 10.658 0.362 1.00 50.00 O ATOM 471 CB TRP A 28 2.578 9.030 -1.592 1.00 50.00 C ATOM 472 CG TRP A 28 3.442 10.120 -1.000 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.035 11.160 -1.664 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.806 10.276 0.384 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.732 11.942 -0.783 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.608 11.422 0.476 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.521 9.556 1.552 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.131 11.863 1.679 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.041 9.998 2.749 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.836 11.146 2.804 1.00 50.00 C ATOM 0 H TRP A 28 1.552 11.130 -2.591 1.00 10.00 H new ATOM 0 HA TRP A 28 0.566 8.477 -2.045 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.743 8.109 -1.032 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.902 8.843 -2.616 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.963 11.337 -2.727 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.260 12.780 -1.027 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.904 8.670 1.515 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 5.752 12.745 1.727 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.832 9.450 3.656 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.226 11.474 3.756 1.00 50.00 H new ATOM 491 N LYS A 29 -0.017 8.458 0.401 1.00 10.00 N ATOM 492 CA LYS A 29 -0.573 8.434 1.764 1.00 10.00 C ATOM 493 C LYS A 29 0.137 7.332 2.554 1.00 10.00 C ATOM 494 O LYS A 29 0.454 6.284 1.979 1.00 50.00 O ATOM 495 CB LYS A 29 -2.102 8.146 1.713 1.00 50.00 C ATOM 496 CG LYS A 29 -2.933 9.146 0.870 1.00 50.00 C ATOM 497 CD LYS A 29 -4.442 8.803 0.847 1.00 50.00 C ATOM 498 CE LYS A 29 -5.084 8.770 2.253 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.931 10.063 2.981 1.00 75.00 N ATOM 0 H LYS A 29 -0.063 7.554 -0.068 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.420 9.400 2.245 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.254 7.144 1.312 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.490 8.144 2.732 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.800 10.151 1.271 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.552 9.157 -0.151 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.965 9.537 0.234 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.580 7.833 0.370 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -6.144 8.532 2.160 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.629 7.971 2.838 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.407 10.000 3.904 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -3.921 10.263 3.126 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -5.359 10.829 2.422 1.00 75.00 H new ATOM 513 N GLY A 30 0.388 7.548 3.856 1.00 10.00 N ATOM 514 CA GLY A 30 0.995 6.505 4.682 1.00 10.00 C ATOM 515 C GLY A 30 1.408 6.990 6.074 1.00 10.00 C ATOM 516 O GLY A 30 1.120 8.133 6.438 1.00 50.00 O ATOM 0 H GLY A 30 0.183 8.419 4.346 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.290 5.680 4.788 1.00 10.00 H new ATOM 0 HA3 GLY A 30 1.872 6.111 4.169 1.00 10.00 H new ATOM 520 N PRO A 31 2.104 6.128 6.888 1.00 10.00 N ATOM 521 CA PRO A 31 2.572 4.781 6.480 1.00 10.00 C ATOM 522 C PRO A 31 1.511 3.666 6.722 1.00 10.00 C ATOM 523 O PRO A 31 1.096 3.405 7.861 1.00 50.00 O ATOM 524 CB PRO A 31 3.827 4.605 7.368 1.00 50.00 C ATOM 525 CG PRO A 31 3.498 5.329 8.655 1.00 50.00 C ATOM 526 CD PRO A 31 2.469 6.411 8.303 1.00 50.00 C ATOM 0 HA PRO A 31 2.769 4.697 5.411 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.037 3.551 7.550 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.711 5.029 6.891 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.095 4.638 9.395 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.394 5.774 9.089 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.598 6.359 8.956 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.890 7.410 8.413 1.00 50.00 H new ATOM 534 N TYR A 32 1.053 3.054 5.622 1.00 10.00 N ATOM 535 CA TYR A 32 0.184 1.866 5.648 1.00 10.00 C ATOM 536 C TYR A 32 0.999 0.604 5.981 1.00 10.00 C ATOM 537 O TYR A 32 2.231 0.629 5.954 1.00 50.00 O ATOM 538 CB TYR A 32 -0.542 1.713 4.291 1.00 50.00 C ATOM 539 CG TYR A 32 -1.650 2.745 4.054 1.00 50.00 C ATOM 540 CD1 TYR A 32 -2.961 2.487 4.465 1.00 50.00 C ATOM 541 CD2 TYR A 32 -1.391 3.972 3.456 1.00 50.00 C ATOM 542 CE1 TYR A 32 -3.967 3.412 4.274 1.00 50.00 C ATOM 543 CE2 TYR A 32 -2.395 4.895 3.262 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.676 4.619 3.680 1.00 50.00 C ATOM 545 OH TYR A 32 -4.675 5.551 3.489 1.00 50.00 O ATOM 0 H TYR A 32 1.277 3.371 4.679 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.565 1.995 6.429 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.191 1.792 3.488 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.973 0.713 4.232 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -3.191 1.545 4.941 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -0.386 4.206 3.138 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -4.976 3.190 4.589 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -2.176 5.837 2.781 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.351 5.455 4.192 1.00 50.00 H new ATOM 555 N THR A 33 0.295 -0.496 6.312 1.00 10.00 N ATOM 556 CA THR A 33 0.929 -1.771 6.685 1.00 10.00 C ATOM 557 C THR A 33 0.320 -2.938 5.882 1.00 10.00 C ATOM 558 O THR A 33 -0.848 -3.283 6.090 1.00 50.00 O ATOM 559 CB THR A 33 0.769 -2.030 8.225 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.615 -2.032 8.584 1.00 50.00 O ATOM 561 CG2 THR A 33 1.512 -0.985 9.075 1.00 50.00 C ATOM 0 H THR A 33 -0.725 -0.524 6.328 1.00 10.00 H new ATOM 0 HA THR A 33 1.991 -1.707 6.448 1.00 10.00 H new ATOM 0 HB THR A 33 1.212 -3.005 8.430 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.703 -2.196 9.546 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.370 -1.209 10.132 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.576 -1.013 8.838 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.118 0.008 8.858 1.00 50.00 H new ATOM 569 N VAL A 34 1.108 -3.544 4.963 1.00 10.00 N ATOM 570 CA VAL A 34 0.669 -4.736 4.202 1.00 10.00 C ATOM 571 C VAL A 34 0.646 -5.947 5.151 1.00 10.00 C ATOM 572 O VAL A 34 1.609 -6.177 5.905 1.00 50.00 O ATOM 573 CB VAL A 34 1.578 -5.048 2.939 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.023 -6.226 2.096 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.782 -3.789 2.062 1.00 50.00 C ATOM 0 H VAL A 34 2.049 -3.227 4.731 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.327 -4.528 3.812 1.00 10.00 H new ATOM 0 HB VAL A 34 2.552 -5.353 3.322 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.678 -6.403 1.243 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.978 -7.124 2.711 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.022 -5.979 1.741 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.409 -4.039 1.206 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.815 -3.430 1.710 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.266 -3.010 2.651 1.00 50.00 H new ATOM 585 N LEU A 35 -0.489 -6.663 5.149 1.00 10.00 N ATOM 586 CA LEU A 35 -0.703 -7.860 5.978 1.00 10.00 C ATOM 587 C LEU A 35 -0.635 -9.123 5.098 1.00 10.00 C ATOM 588 O LEU A 35 -0.176 -10.184 5.540 1.00 50.00 O ATOM 589 CB LEU A 35 -2.080 -7.767 6.695 1.00 50.00 C ATOM 590 CG LEU A 35 -2.316 -6.498 7.581 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.727 -6.509 8.209 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.220 -6.339 8.660 1.00 50.00 C ATOM 0 H LEU A 35 -1.292 -6.425 4.566 1.00 10.00 H new ATOM 0 HA LEU A 35 0.079 -7.920 6.735 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.863 -7.806 5.938 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.199 -8.650 7.323 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.250 -5.629 6.926 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.861 -5.615 8.818 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.477 -6.525 7.418 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.840 -7.395 8.834 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.420 -5.447 9.253 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.219 -7.214 9.310 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.247 -6.244 8.179 1.00 50.00 H new ATOM 604 N LEU A 36 -1.099 -8.978 3.841 1.00 10.00 N ATOM 605 CA LEU A 36 -1.180 -10.084 2.876 1.00 10.00 C ATOM 606 C LEU A 36 -0.924 -9.560 1.451 1.00 10.00 C ATOM 607 O LEU A 36 -1.190 -8.392 1.150 1.00 50.00 O ATOM 608 CB LEU A 36 -2.579 -10.768 2.982 1.00 50.00 C ATOM 609 CG LEU A 36 -2.801 -12.059 2.128 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.781 -13.144 2.503 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.254 -12.578 2.252 1.00 50.00 C ATOM 0 H LEU A 36 -1.428 -8.087 3.469 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.415 -10.826 3.104 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.756 -11.018 4.028 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.336 -10.038 2.697 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.642 -11.799 1.082 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.955 -14.032 1.896 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.772 -12.773 2.322 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.891 -13.398 3.557 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.373 -13.476 1.646 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.469 -12.813 3.294 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.945 -11.811 1.903 1.00 50.00 H new ATOM 623 N THR A 37 -0.405 -10.435 0.585 1.00 10.00 N ATOM 624 CA THR A 37 -0.120 -10.130 -0.825 1.00 10.00 C ATOM 625 C THR A 37 -0.689 -11.255 -1.705 1.00 10.00 C ATOM 626 O THR A 37 -0.440 -12.438 -1.467 1.00 50.00 O ATOM 627 CB THR A 37 1.424 -9.971 -1.065 1.00 50.00 C ATOM 628 OG1 THR A 37 1.937 -8.902 -0.247 1.00 50.00 O ATOM 629 CG2 THR A 37 1.795 -9.727 -2.544 1.00 50.00 C ATOM 0 H THR A 37 -0.166 -11.392 0.846 1.00 10.00 H new ATOM 0 HA THR A 37 -0.593 -9.184 -1.089 1.00 10.00 H new ATOM 0 HB THR A 37 1.883 -10.919 -0.784 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.853 -8.690 -0.522 1.00 50.00 H new ATOM 0 HG21 THR A 37 2.876 -9.627 -2.636 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.456 -10.569 -3.148 1.00 50.00 H new ATOM 0 HG23 THR A 37 1.315 -8.813 -2.894 1.00 50.00 H new ATOM 637 N THR A 38 -1.464 -10.848 -2.703 1.00 10.00 N ATOM 638 CA THR A 38 -2.076 -11.715 -3.713 1.00 10.00 C ATOM 639 C THR A 38 -1.623 -11.209 -5.117 1.00 10.00 C ATOM 640 O THR A 38 -1.097 -10.087 -5.202 1.00 50.00 O ATOM 641 CB THR A 38 -3.643 -11.674 -3.555 1.00 50.00 C ATOM 642 OG1 THR A 38 -4.113 -10.315 -3.599 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.120 -12.328 -2.240 1.00 50.00 C ATOM 0 H THR A 38 -1.695 -9.864 -2.840 1.00 10.00 H new ATOM 0 HA THR A 38 -1.761 -12.751 -3.591 1.00 10.00 H new ATOM 0 HB THR A 38 -4.057 -12.245 -4.386 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.352 -9.710 -3.722 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.207 -12.273 -2.180 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.807 -13.372 -2.219 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.683 -11.801 -1.392 1.00 50.00 H new ATOM 651 N PRO A 39 -1.753 -12.034 -6.225 1.00 10.00 N ATOM 652 CA PRO A 39 -1.395 -11.598 -7.609 1.00 10.00 C ATOM 653 C PRO A 39 -1.945 -10.190 -7.986 1.00 10.00 C ATOM 654 O PRO A 39 -3.159 -10.001 -8.108 1.00 50.00 O ATOM 655 CB PRO A 39 -2.034 -12.706 -8.491 1.00 50.00 C ATOM 656 CG PRO A 39 -1.990 -13.943 -7.636 1.00 50.00 C ATOM 657 CD PRO A 39 -2.198 -13.467 -6.204 1.00 50.00 C ATOM 0 HA PRO A 39 -0.318 -11.489 -7.734 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -3.057 -12.452 -8.768 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -1.478 -12.845 -9.418 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.767 -14.649 -7.930 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -1.035 -14.458 -7.742 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -3.242 -13.556 -5.902 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.611 -14.056 -5.499 1.00 50.00 H new ATOM 665 N THR A 40 -1.012 -9.203 -8.072 1.00 10.00 N ATOM 666 CA THR A 40 -1.255 -7.812 -8.544 1.00 10.00 C ATOM 667 C THR A 40 -2.029 -6.940 -7.503 1.00 10.00 C ATOM 668 O THR A 40 -2.245 -5.736 -7.716 1.00 50.00 O ATOM 669 CB THR A 40 -1.958 -7.807 -9.962 1.00 50.00 C ATOM 670 OG1 THR A 40 -1.321 -8.780 -10.814 1.00 50.00 O ATOM 671 CG2 THR A 40 -1.895 -6.439 -10.672 1.00 50.00 C ATOM 0 H THR A 40 -0.040 -9.359 -7.806 1.00 10.00 H new ATOM 0 HA THR A 40 -0.278 -7.342 -8.654 1.00 10.00 H new ATOM 0 HB THR A 40 -3.007 -8.043 -9.786 1.00 50.00 H new ATOM 0 HG1 THR A 40 -1.756 -8.780 -11.692 1.00 50.00 H new ATOM 0 HG21 THR A 40 -2.396 -6.507 -11.638 1.00 50.00 H new ATOM 0 HG22 THR A 40 -2.391 -5.687 -10.058 1.00 50.00 H new ATOM 0 HG23 THR A 40 -0.854 -6.155 -10.822 1.00 50.00 H new ATOM 679 N ALA A 41 -2.373 -7.529 -6.341 1.00 10.00 N ATOM 680 CA ALA A 41 -3.220 -6.880 -5.319 1.00 10.00 C ATOM 681 C ALA A 41 -2.603 -7.068 -3.924 1.00 10.00 C ATOM 682 O ALA A 41 -2.321 -8.189 -3.523 1.00 50.00 O ATOM 683 CB ALA A 41 -4.635 -7.477 -5.382 1.00 50.00 C ATOM 0 H ALA A 41 -2.072 -8.469 -6.084 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.281 -5.810 -5.516 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.264 -7.002 -4.630 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -5.059 -7.305 -6.371 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.587 -8.549 -5.190 1.00 50.00 H new ATOM 689 N LEU A 42 -2.366 -5.967 -3.205 1.00 10.00 N ATOM 690 CA LEU A 42 -1.863 -5.994 -1.823 1.00 10.00 C ATOM 691 C LEU A 42 -3.028 -5.789 -0.859 1.00 10.00 C ATOM 692 O LEU A 42 -3.712 -4.764 -0.930 1.00 50.00 O ATOM 693 CB LEU A 42 -0.788 -4.888 -1.605 1.00 50.00 C ATOM 694 CG LEU A 42 0.438 -4.938 -2.563 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.470 -3.855 -2.231 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.090 -6.323 -2.569 1.00 50.00 C ATOM 0 H LEU A 42 -2.518 -5.025 -3.565 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.397 -6.961 -1.635 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.268 -3.915 -1.710 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.427 -4.956 -0.579 1.00 50.00 H new ATOM 0 HG LEU A 42 0.060 -4.737 -3.566 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.308 -3.927 -2.924 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.008 -2.872 -2.321 1.00 50.00 H new ATOM 0 HD13 LEU A 42 1.829 -3.995 -1.211 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.942 -6.321 -3.249 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.429 -6.570 -1.563 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.364 -7.066 -2.900 1.00 50.00 H new ATOM 708 N LYS A 43 -3.245 -6.760 0.046 1.00 10.00 N ATOM 709 CA LYS A 43 -4.213 -6.607 1.133 1.00 10.00 C ATOM 710 C LYS A 43 -3.500 -5.880 2.281 1.00 10.00 C ATOM 711 O LYS A 43 -2.601 -6.435 2.948 1.00 50.00 O ATOM 712 CB LYS A 43 -4.777 -7.971 1.612 1.00 50.00 C ATOM 713 CG LYS A 43 -5.829 -7.843 2.735 1.00 50.00 C ATOM 714 CD LYS A 43 -6.372 -9.201 3.225 1.00 50.00 C ATOM 715 CE LYS A 43 -7.401 -9.030 4.349 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.851 -10.332 4.896 1.00 75.00 N ATOM 0 H LYS A 43 -2.760 -7.657 0.041 1.00 10.00 H new ATOM 0 HA LYS A 43 -5.070 -6.034 0.780 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.224 -8.488 0.763 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.954 -8.592 1.966 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.387 -7.312 3.578 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.660 -7.236 2.376 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.830 -9.732 2.390 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.545 -9.817 3.579 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.966 -8.432 5.150 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.262 -8.479 3.971 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.546 -10.169 5.653 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.289 -10.894 4.139 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.034 -10.848 5.281 1.00 75.00 H new ATOM 730 N VAL A 44 -3.896 -4.621 2.471 1.00 10.00 N ATOM 731 CA VAL A 44 -3.250 -3.676 3.383 1.00 10.00 C ATOM 732 C VAL A 44 -4.249 -3.260 4.487 1.00 10.00 C ATOM 733 O VAL A 44 -5.459 -3.190 4.242 1.00 50.00 O ATOM 734 CB VAL A 44 -2.754 -2.407 2.580 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.025 -1.401 3.487 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.863 -2.793 1.371 1.00 50.00 C ATOM 0 H VAL A 44 -4.696 -4.220 1.982 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.386 -4.151 3.848 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.650 -1.922 2.193 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.701 -0.545 2.895 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.701 -1.064 4.273 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.156 -1.880 3.937 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.546 -1.890 0.850 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.986 -3.335 1.724 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.430 -3.426 0.688 1.00 50.00 H new ATOM 746 N ASP A 45 -3.733 -3.015 5.702 1.00 10.00 N ATOM 747 CA ASP A 45 -4.515 -2.476 6.824 1.00 10.00 C ATOM 748 C ASP A 45 -4.836 -0.991 6.563 1.00 10.00 C ATOM 749 O ASP A 45 -3.965 -0.242 6.105 1.00 50.00 O ATOM 750 CB ASP A 45 -3.727 -2.645 8.144 1.00 50.00 C ATOM 751 CG ASP A 45 -4.498 -2.167 9.385 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.439 -2.863 9.809 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.170 -1.097 9.945 1.00 50.00 O ATOM 0 H ASP A 45 -2.755 -3.187 5.934 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.453 -3.024 6.913 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.467 -3.696 8.270 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.791 -2.091 8.072 1.00 50.00 H new ATOM 758 N GLY A 46 -6.088 -0.589 6.856 1.00 10.00 N ATOM 759 CA GLY A 46 -6.578 0.763 6.540 1.00 10.00 C ATOM 760 C GLY A 46 -7.160 0.867 5.132 1.00 10.00 C ATOM 761 O GLY A 46 -7.523 1.963 4.687 1.00 50.00 O ATOM 0 H GLY A 46 -6.779 -1.185 7.312 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.340 1.047 7.265 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -5.759 1.475 6.643 1.00 10.00 H new ATOM 765 N ILE A 47 -7.230 -0.282 4.431 1.00 10.00 N ATOM 766 CA ILE A 47 -7.750 -0.394 3.050 1.00 10.00 C ATOM 767 C ILE A 47 -9.002 -1.298 3.048 1.00 10.00 C ATOM 768 O ILE A 47 -9.084 -2.233 3.857 1.00 50.00 O ATOM 769 CB ILE A 47 -6.634 -0.982 2.094 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.413 -0.007 2.003 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.171 -1.349 0.686 1.00 50.00 C ATOM 772 CD1 ILE A 47 -5.723 1.389 1.499 1.00 50.00 C ATOM 0 H ILE A 47 -6.922 -1.176 4.814 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.026 0.594 2.682 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.299 -1.918 2.541 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -4.963 0.075 2.992 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -4.664 -0.452 1.348 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.358 -1.746 0.079 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -7.955 -2.101 0.780 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.579 -0.458 0.208 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -4.807 1.979 1.476 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.141 1.329 0.494 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.444 1.864 2.164 1.00 50.00 H new ATOM 784 N ALA A 48 -9.961 -1.011 2.130 1.00 10.00 N ATOM 785 CA ALA A 48 -11.252 -1.732 2.027 1.00 10.00 C ATOM 786 C ALA A 48 -11.057 -3.259 1.886 1.00 10.00 C ATOM 787 O ALA A 48 -11.662 -4.039 2.639 1.00 50.00 O ATOM 788 CB ALA A 48 -12.075 -1.179 0.846 1.00 50.00 C ATOM 0 H ALA A 48 -9.857 -0.269 1.438 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.798 -1.564 2.955 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.021 -1.716 0.779 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.270 -0.118 1.003 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.516 -1.312 -0.081 1.00 50.00 H new ATOM 794 N ALA A 49 -10.209 -3.671 0.920 1.00 10.00 N ATOM 795 CA ALA A 49 -9.830 -5.089 0.745 1.00 10.00 C ATOM 796 C ALA A 49 -8.417 -5.220 0.138 1.00 10.00 C ATOM 797 O ALA A 49 -7.528 -5.824 0.745 1.00 50.00 O ATOM 798 CB ALA A 49 -10.878 -5.816 -0.129 1.00 50.00 C ATOM 0 H ALA A 49 -9.773 -3.040 0.248 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.808 -5.561 1.727 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.589 -6.860 -0.251 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.854 -5.764 0.354 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.931 -5.337 -1.107 1.00 50.00 H new ATOM 804 N TRP A 50 -8.208 -4.620 -1.053 1.00 10.00 N ATOM 805 CA TRP A 50 -6.922 -4.699 -1.803 1.00 10.00 C ATOM 806 C TRP A 50 -6.601 -3.357 -2.489 1.00 10.00 C ATOM 807 O TRP A 50 -7.495 -2.537 -2.722 1.00 50.00 O ATOM 808 CB TRP A 50 -6.951 -5.817 -2.890 1.00 50.00 C ATOM 809 CG TRP A 50 -7.159 -7.226 -2.369 1.00 50.00 C ATOM 810 CD1 TRP A 50 -6.228 -8.033 -1.771 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.365 -8.009 -2.453 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.790 -9.243 -1.441 1.00 50.00 N ATOM 813 CE2 TRP A 50 -8.098 -9.257 -1.855 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.645 -7.769 -2.966 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -9.063 -10.259 -1.752 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.601 -8.765 -2.867 1.00 50.00 C ATOM 817 CH2 TRP A 50 -10.307 -9.997 -2.266 1.00 50.00 C ATOM 0 H TRP A 50 -8.921 -4.066 -1.527 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.151 -4.936 -1.070 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.746 -5.589 -3.600 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.012 -5.787 -3.443 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -5.200 -7.758 -1.585 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -6.312 -10.008 -0.965 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.882 -6.823 -3.431 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.839 -11.206 -1.285 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.592 -8.590 -3.260 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -11.075 -10.754 -2.207 1.00 50.00 H new ATOM 828 N ILE A 51 -5.308 -3.147 -2.788 1.00 10.00 N ATOM 829 CA ILE A 51 -4.813 -2.055 -3.657 1.00 10.00 C ATOM 830 C ILE A 51 -4.009 -2.678 -4.812 1.00 10.00 C ATOM 831 O ILE A 51 -3.193 -3.567 -4.578 1.00 50.00 O ATOM 832 CB ILE A 51 -3.893 -1.024 -2.877 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.692 -0.263 -1.773 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.208 -0.016 -3.842 1.00 50.00 C ATOM 835 CD1 ILE A 51 -5.791 0.655 -2.288 1.00 50.00 C ATOM 0 H ILE A 51 -4.560 -3.740 -2.428 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.676 -1.501 -4.026 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.111 -1.608 -2.391 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.138 -0.995 -1.099 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -3.992 0.329 -1.183 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.587 0.672 -3.268 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.586 -0.559 -4.554 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -3.970 0.546 -4.382 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.287 1.137 -1.446 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.356 1.415 -2.937 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.519 0.071 -2.851 1.00 50.00 H new ATOM 847 N HIS A 52 -4.246 -2.207 -6.047 1.00 10.00 N ATOM 848 CA HIS A 52 -3.417 -2.567 -7.210 1.00 10.00 C ATOM 849 C HIS A 52 -1.970 -2.076 -6.939 1.00 10.00 C ATOM 850 O HIS A 52 -1.738 -0.863 -6.855 1.00 50.00 O ATOM 851 CB HIS A 52 -4.023 -1.930 -8.488 1.00 50.00 C ATOM 852 CG HIS A 52 -3.409 -2.369 -9.794 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.251 -1.829 -10.308 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.828 -3.276 -10.707 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.993 -2.376 -11.478 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.932 -3.257 -11.736 1.00 50.00 N ATOM 0 H HIS A 52 -5.012 -1.570 -6.267 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.394 -3.646 -7.366 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.089 -2.158 -8.514 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -3.930 -0.847 -8.410 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.707 -3.899 -10.635 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.154 -2.141 -12.116 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.984 -3.836 -12.574 1.00 50.00 H new ATOM 865 N ALA A 53 -1.035 -3.045 -6.789 1.00 10.00 N ATOM 866 CA ALA A 53 0.322 -2.857 -6.189 1.00 10.00 C ATOM 867 C ALA A 53 1.170 -1.725 -6.819 1.00 10.00 C ATOM 868 O ALA A 53 2.131 -1.263 -6.193 1.00 50.00 O ATOM 869 CB ALA A 53 1.095 -4.197 -6.229 1.00 50.00 C ATOM 0 H ALA A 53 -1.201 -4.006 -7.087 1.00 10.00 H new ATOM 0 HA ALA A 53 0.150 -2.536 -5.162 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.084 -4.060 -5.792 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.548 -4.950 -5.661 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.198 -4.527 -7.263 1.00 50.00 H new ATOM 875 N ALA A 54 0.824 -1.306 -8.054 1.00 10.00 N ATOM 876 CA ALA A 54 1.497 -0.192 -8.764 1.00 10.00 C ATOM 877 C ALA A 54 1.388 1.152 -8.008 1.00 10.00 C ATOM 878 O ALA A 54 2.273 2.010 -8.127 1.00 50.00 O ATOM 879 CB ALA A 54 0.920 -0.054 -10.179 1.00 50.00 C ATOM 0 H ALA A 54 0.068 -1.731 -8.591 1.00 10.00 H new ATOM 0 HA ALA A 54 2.558 -0.437 -8.818 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.418 0.766 -10.697 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.080 -0.981 -10.729 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.149 0.151 -10.118 1.00 50.00 H new ATOM 885 N HIS A 55 0.289 1.329 -7.246 1.00 10.00 N ATOM 886 CA HIS A 55 0.069 2.529 -6.402 1.00 10.00 C ATOM 887 C HIS A 55 1.007 2.544 -5.186 1.00 10.00 C ATOM 888 O HIS A 55 1.339 3.607 -4.657 1.00 50.00 O ATOM 889 CB HIS A 55 -1.403 2.596 -5.914 1.00 50.00 C ATOM 890 CG HIS A 55 -2.396 2.880 -7.003 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.508 4.119 -7.579 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.308 2.093 -7.624 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.432 4.085 -8.510 1.00 50.00 C ATOM 894 NE2 HIS A 55 -3.933 2.874 -8.558 1.00 50.00 N ATOM 0 H HIS A 55 -0.470 0.649 -7.196 1.00 10.00 H new ATOM 0 HA HIS A 55 0.287 3.400 -7.021 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -1.661 1.649 -5.439 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -1.487 3.369 -5.150 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -1.959 4.940 -7.324 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.504 1.050 -7.421 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -3.730 4.916 -9.133 1.00 50.00 H new ATOM 903 N VAL A 56 1.458 1.354 -4.782 1.00 10.00 N ATOM 904 CA VAL A 56 2.196 1.156 -3.532 1.00 10.00 C ATOM 905 C VAL A 56 3.712 1.153 -3.791 1.00 10.00 C ATOM 906 O VAL A 56 4.188 0.583 -4.777 1.00 50.00 O ATOM 907 CB VAL A 56 1.769 -0.200 -2.861 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.553 -0.467 -1.559 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.242 -0.234 -2.601 1.00 50.00 C ATOM 0 H VAL A 56 1.321 0.496 -5.316 1.00 10.00 H new ATOM 0 HA VAL A 56 1.958 1.980 -2.860 1.00 10.00 H new ATOM 0 HB VAL A 56 2.015 -0.999 -3.561 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.228 -1.413 -1.126 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.619 -0.516 -1.780 1.00 50.00 H new ATOM 0 HG13 VAL A 56 2.366 0.339 -0.850 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.027 -1.183 -2.136 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.032 0.586 -1.937 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.290 -0.129 -3.546 1.00 50.00 H new ATOM 919 N LYS A 57 4.440 1.818 -2.893 1.00 10.00 N ATOM 920 CA LYS A 57 5.904 1.889 -2.894 1.00 10.00 C ATOM 921 C LYS A 57 6.383 1.649 -1.453 1.00 10.00 C ATOM 922 O LYS A 57 5.713 2.084 -0.504 1.00 50.00 O ATOM 923 CB LYS A 57 6.358 3.285 -3.402 1.00 50.00 C ATOM 924 CG LYS A 57 7.891 3.484 -3.505 1.00 50.00 C ATOM 925 CD LYS A 57 8.284 4.958 -3.790 1.00 50.00 C ATOM 926 CE LYS A 57 7.859 5.910 -2.655 1.00 50.00 C ATOM 927 NZ LYS A 57 8.274 7.317 -2.912 1.00 75.00 N ATOM 0 H LYS A 57 4.017 2.337 -2.123 1.00 10.00 H new ATOM 0 HA LYS A 57 6.332 1.137 -3.556 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.919 3.457 -4.385 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.953 4.046 -2.735 1.00 50.00 H new ATOM 0 HG2 LYS A 57 8.359 3.160 -2.575 1.00 50.00 H new ATOM 0 HG3 LYS A 57 8.284 2.847 -4.298 1.00 50.00 H new ATOM 0 HD2 LYS A 57 9.363 5.023 -3.930 1.00 50.00 H new ATOM 0 HD3 LYS A 57 7.822 5.280 -4.723 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.776 5.869 -2.536 1.00 50.00 H new ATOM 0 HE3 LYS A 57 8.296 5.570 -1.716 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 9.008 7.593 -2.228 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 8.653 7.396 -3.877 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.452 7.946 -2.810 1.00 75.00 H new ATOM 941 N ALA A 58 7.520 0.949 -1.293 1.00 10.00 N ATOM 942 CA ALA A 58 8.099 0.647 0.032 1.00 10.00 C ATOM 943 C ALA A 58 8.490 1.949 0.770 1.00 10.00 C ATOM 944 O ALA A 58 9.282 2.747 0.256 1.00 50.00 O ATOM 945 CB ALA A 58 9.318 -0.279 -0.130 1.00 50.00 C ATOM 0 H ALA A 58 8.062 0.578 -2.073 1.00 10.00 H new ATOM 0 HA ALA A 58 7.349 0.136 0.636 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.741 -0.498 0.850 1.00 50.00 H new ATOM 0 HB2 ALA A 58 9.008 -1.208 -0.608 1.00 50.00 H new ATOM 0 HB3 ALA A 58 10.069 0.213 -0.747 1.00 50.00 H new ATOM 951 N ALA A 59 7.890 2.157 1.955 1.00 10.00 N ATOM 952 CA ALA A 59 8.170 3.319 2.816 1.00 10.00 C ATOM 953 C ALA A 59 9.364 3.007 3.717 1.00 10.00 C ATOM 954 O ALA A 59 9.540 1.865 4.147 1.00 50.00 O ATOM 955 CB ALA A 59 6.941 3.669 3.671 1.00 50.00 C ATOM 0 H ALA A 59 7.194 1.521 2.344 1.00 10.00 H new ATOM 0 HA ALA A 59 8.403 4.178 2.186 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.168 4.530 4.300 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.100 3.908 3.019 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.682 2.818 4.301 1.00 50.00 H new ATOM 961 N ASP A 60 10.164 4.039 4.012 1.00 10.00 N ATOM 962 CA ASP A 60 11.303 3.941 4.936 1.00 10.00 C ATOM 963 C ASP A 60 10.901 4.540 6.308 1.00 50.00 C ATOM 964 O ASP A 60 10.766 5.760 6.423 1.00 50.00 O ATOM 965 CB ASP A 60 12.529 4.695 4.335 1.00 50.00 C ATOM 966 CG ASP A 60 13.848 4.542 5.126 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.891 3.823 6.150 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.853 5.177 4.734 1.00 75.00 O ATOM 0 H ASP A 60 10.040 4.970 3.615 1.00 10.00 H new ATOM 0 HA ASP A 60 11.580 2.897 5.080 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.691 4.339 3.317 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.286 5.755 4.267 1.00 50.00 H new ATOM 973 N PRO A 61 10.626 3.687 7.349 1.00 50.00 N ATOM 974 CA PRO A 61 10.341 4.163 8.724 1.00 50.00 C ATOM 975 C PRO A 61 11.620 4.307 9.581 1.00 50.00 C ATOM 976 O PRO A 61 11.572 4.815 10.705 1.00 75.00 O ATOM 977 CB PRO A 61 9.434 3.033 9.262 1.00 75.00 C ATOM 978 CG PRO A 61 10.015 1.780 8.659 1.00 75.00 C ATOM 979 CD PRO A 61 10.524 2.188 7.277 1.00 50.00 C ATOM 0 HA PRO A 61 9.893 5.156 8.750 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.447 2.995 10.351 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.396 3.177 8.961 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.824 1.387 9.275 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.262 0.995 8.584 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.490 1.733 7.058 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.838 1.873 6.491 1.00 50.00 H new ATOM 987 N GLY A 62 12.758 3.873 9.013 1.00 50.00 N ATOM 988 CA GLY A 62 14.004 3.688 9.745 1.00 50.00 C ATOM 989 C GLY A 62 14.551 2.287 9.500 1.00 75.00 C ATOM 990 O GLY A 62 15.762 2.101 9.322 1.00 75.00 O ATOM 0 H GLY A 62 12.830 3.641 8.022 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.735 4.433 9.429 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.835 3.840 10.811 1.00 50.00 H new ATOM 994 N GLY A 63 13.637 1.293 9.486 1.00 75.00 N ATOM 995 CA GLY A 63 13.978 -0.098 9.164 1.00 75.00 C ATOM 996 C GLY A 63 13.077 -1.092 9.888 1.00 75.00 C ATOM 997 O GLY A 63 12.683 -0.848 11.031 1.00 75.00 O ATOM 0 H GLY A 63 12.650 1.437 9.697 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.895 -0.251 8.088 1.00 75.00 H new ATOM 0 HA3 GLY A 63 15.017 -0.288 9.434 1.00 75.00 H new ATOM 1001 N GLY A 64 12.750 -2.218 9.214 1.00 75.00 N ATOM 1002 CA GLY A 64 11.897 -3.270 9.790 1.00 75.00 C ATOM 1003 C GLY A 64 10.394 -2.957 9.695 1.00 75.00 C ATOM 1004 O GLY A 64 10.010 -2.016 9.000 1.00 75.00 O ATOM 0 H GLY A 64 13.069 -2.417 8.266 1.00 75.00 H new ATOM 0 HA2 GLY A 64 12.098 -4.211 9.278 1.00 75.00 H new ATOM 0 HA3 GLY A 64 12.166 -3.413 10.837 1.00 75.00 H new ATOM 1008 N PRO A 65 9.508 -3.733 10.405 1.00 75.00 N ATOM 1009 CA PRO A 65 8.027 -3.580 10.304 1.00 75.00 C ATOM 1010 C PRO A 65 7.490 -2.365 11.104 1.00 75.00 C ATOM 1011 O PRO A 65 8.116 -1.921 12.073 1.00 75.00 O ATOM 1012 CB PRO A 65 7.517 -4.917 10.896 1.00 75.00 C ATOM 1013 CG PRO A 65 8.541 -5.264 11.943 1.00 75.00 C ATOM 1014 CD PRO A 65 9.878 -4.803 11.378 1.00 75.00 C ATOM 0 HA PRO A 65 7.693 -3.388 9.285 1.00 75.00 H new ATOM 0 HB2 PRO A 65 6.523 -4.808 11.330 1.00 75.00 H new ATOM 0 HB3 PRO A 65 7.448 -5.692 10.132 1.00 75.00 H new ATOM 0 HG2 PRO A 65 8.321 -4.765 12.887 1.00 75.00 H new ATOM 0 HG3 PRO A 65 8.549 -6.335 12.144 1.00 75.00 H new ATOM 0 HD2 PRO A 65 10.532 -4.421 12.162 1.00 75.00 H new ATOM 0 HD3 PRO A 65 10.409 -5.621 10.890 1.00 75.00 H new ATOM 1022 N SER A 66 6.322 -1.844 10.684 1.00 75.00 N ATOM 1023 CA SER A 66 5.628 -0.745 11.381 1.00 75.00 C ATOM 1024 C SER A 66 4.787 -1.324 12.537 1.00 75.00 C ATOM 1025 O SER A 66 4.846 -0.829 13.674 1.00 75.00 O ATOM 1026 CB SER A 66 4.740 0.041 10.387 1.00 75.00 C ATOM 1027 OG SER A 66 4.181 1.207 10.970 1.00 75.00 O ATOM 0 H SER A 66 5.833 -2.173 9.852 1.00 75.00 H new ATOM 0 HA SER A 66 6.361 -0.052 11.794 1.00 75.00 H new ATOM 0 HB2 SER A 66 5.333 0.321 9.517 1.00 75.00 H new ATOM 0 HB3 SER A 66 3.937 -0.605 10.031 1.00 75.00 H new ATOM 0 HG SER A 66 3.630 1.672 10.307 1.00 75.00 H new ATOM 1033 N SER A 67 4.022 -2.391 12.228 1.00 75.00 N ATOM 1034 CA SER A 67 3.183 -3.106 13.212 1.00 75.00 C ATOM 1035 C SER A 67 4.015 -4.134 14.004 1.00 75.00 C ATOM 1036 O SER A 67 5.160 -4.443 13.634 1.00 75.00 O ATOM 1037 CB SER A 67 2.024 -3.837 12.494 1.00 75.00 C ATOM 1038 OG SER A 67 1.297 -2.957 11.663 1.00 75.00 O ATOM 0 H SER A 67 3.968 -2.782 11.287 1.00 75.00 H new ATOM 0 HA SER A 67 2.780 -2.368 13.906 1.00 75.00 H new ATOM 0 HB2 SER A 67 2.423 -4.657 11.897 1.00 75.00 H new ATOM 0 HB3 SER A 67 1.355 -4.277 13.234 1.00 75.00 H new ATOM 0 HG SER A 67 0.573 -3.448 11.221 1.00 75.00 H new ATOM 1044 N ARG A 68 3.423 -4.658 15.093 1.00 75.00 N ATOM 1045 CA ARG A 68 4.014 -5.759 15.876 1.00 75.00 C ATOM 1046 C ARG A 68 3.652 -7.097 15.197 1.00 75.00 C ATOM 1047 O ARG A 68 2.499 -7.304 14.792 1.00 75.00 O ATOM 1048 CB ARG A 68 3.509 -5.722 17.351 1.00 75.00 C ATOM 1049 CG ARG A 68 3.631 -4.343 18.053 1.00 75.00 C ATOM 1050 CD ARG A 68 5.051 -3.747 18.008 1.00 75.00 C ATOM 1051 NE ARG A 68 6.048 -4.559 18.736 1.00 75.00 N ATOM 1052 CZ ARG A 68 7.377 -4.560 18.494 1.00 75.00 C ATOM 1053 NH1 ARG A 68 7.908 -3.808 17.533 1.00 75.00 N ATOM 1054 NH2 ARG A 68 8.180 -5.307 19.234 1.00 75.00 N ATOM 0 H ARG A 68 2.526 -4.332 15.454 1.00 75.00 H new ATOM 0 HA ARG A 68 5.098 -5.650 15.904 1.00 75.00 H new ATOM 0 HB2 ARG A 68 2.464 -6.030 17.369 1.00 75.00 H new ATOM 0 HB3 ARG A 68 4.068 -6.458 17.929 1.00 75.00 H new ATOM 0 HG2 ARG A 68 2.938 -3.644 17.584 1.00 75.00 H new ATOM 0 HG3 ARG A 68 3.323 -4.447 19.093 1.00 75.00 H new ATOM 0 HD2 ARG A 68 5.363 -3.647 16.968 1.00 75.00 H new ATOM 0 HD3 ARG A 68 5.030 -2.743 18.432 1.00 75.00 H new ATOM 0 HE ARG A 68 5.706 -5.167 19.480 1.00 75.00 H new ATOM 0 HH11 ARG A 68 7.308 -3.214 16.960 1.00 75.00 H new ATOM 0 HH12 ARG A 68 8.915 -3.826 17.369 1.00 75.00 H new ATOM 0 HH21 ARG A 68 7.795 -5.880 19.985 1.00 75.00 H new ATOM 0 HH22 ARG A 68 9.184 -5.310 19.054 1.00 75.00 H new ATOM 1068 N LEU A 69 4.640 -8.004 15.099 1.00 75.00 N ATOM 1069 CA LEU A 69 4.542 -9.263 14.314 1.00 75.00 C ATOM 1070 C LEU A 69 3.858 -10.410 15.107 1.00 75.00 C ATOM 1071 O LEU A 69 4.098 -11.598 14.834 1.00 75.00 O ATOM 1072 CB LEU A 69 5.980 -9.671 13.849 1.00 75.00 C ATOM 1073 CG LEU A 69 6.756 -8.620 12.988 1.00 75.00 C ATOM 1074 CD1 LEU A 69 8.152 -9.140 12.567 1.00 75.00 C ATOM 1075 CD2 LEU A 69 5.935 -8.187 11.764 1.00 75.00 C ATOM 0 H LEU A 69 5.540 -7.889 15.564 1.00 75.00 H new ATOM 0 HA LEU A 69 3.906 -9.085 13.447 1.00 75.00 H new ATOM 0 HB2 LEU A 69 6.575 -9.894 14.735 1.00 75.00 H new ATOM 0 HB3 LEU A 69 5.904 -10.594 13.275 1.00 75.00 H new ATOM 0 HG LEU A 69 6.912 -7.742 13.615 1.00 75.00 H new ATOM 0 HD11 LEU A 69 8.658 -8.381 11.971 1.00 75.00 H new ATOM 0 HD12 LEU A 69 8.743 -9.357 13.457 1.00 75.00 H new ATOM 0 HD13 LEU A 69 8.039 -10.049 11.976 1.00 75.00 H new ATOM 0 HD21 LEU A 69 6.501 -7.457 11.186 1.00 75.00 H new ATOM 0 HD22 LEU A 69 5.723 -9.057 11.142 1.00 75.00 H new ATOM 0 HD23 LEU A 69 4.997 -7.740 12.094 1.00 75.00 H new ATOM 1087 N THR A 70 2.962 -10.042 16.041 1.00 75.00 N ATOM 1088 CA THR A 70 2.261 -10.992 16.923 1.00 75.00 C ATOM 1089 C THR A 70 1.181 -11.788 16.148 1.00 75.00 C ATOM 1090 O THR A 70 0.939 -12.973 16.434 1.00 75.00 O ATOM 1091 CB THR A 70 1.604 -10.230 18.127 1.00 75.00 C ATOM 1092 OG1 THR A 70 0.634 -9.284 17.635 1.00 75.00 O ATOM 1093 CG2 THR A 70 2.650 -9.477 18.976 1.00 75.00 C ATOM 0 H THR A 70 2.702 -9.069 16.206 1.00 75.00 H new ATOM 0 HA THR A 70 2.997 -11.701 17.304 1.00 75.00 H new ATOM 0 HB THR A 70 1.124 -10.976 18.760 1.00 75.00 H new ATOM 0 HG1 THR A 70 0.225 -8.812 18.390 1.00 75.00 H new ATOM 0 HG21 THR A 70 2.150 -8.964 19.798 1.00 75.00 H new ATOM 0 HG22 THR A 70 3.373 -10.188 19.377 1.00 75.00 H new ATOM 0 HG23 THR A 70 3.167 -8.747 18.353 1.00 75.00 H new ATOM 1101 N TRP A 71 0.548 -11.109 15.165 1.00 75.00 N ATOM 1102 CA TRP A 71 -0.506 -11.688 14.310 1.00 75.00 C ATOM 1103 C TRP A 71 0.058 -12.774 13.373 1.00 75.00 C ATOM 1104 O TRP A 71 0.815 -12.467 12.443 1.00 75.00 O ATOM 1105 CB TRP A 71 -1.207 -10.569 13.480 1.00 75.00 C ATOM 1106 CG TRP A 71 -2.093 -9.668 14.309 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -1.758 -8.475 14.892 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -3.469 -9.909 14.658 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -2.836 -7.967 15.578 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -3.895 -8.830 15.450 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -4.380 -10.936 14.371 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -5.185 -8.750 15.971 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -5.661 -10.856 14.887 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -6.055 -9.767 15.676 1.00 75.00 C ATOM 0 H TRP A 71 0.758 -10.136 14.943 1.00 75.00 H new ATOM 0 HA TRP A 71 -1.240 -12.160 14.963 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -0.447 -9.963 12.987 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -1.805 -11.031 12.695 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -0.789 -8.002 14.823 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -2.847 -7.090 16.098 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -4.086 -11.775 13.758 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -5.489 -7.916 16.586 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -6.368 -11.645 14.679 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -7.064 -9.728 16.059 1.00 75.00 H new ATOM 1125 N ARG A 72 -0.322 -14.045 13.637 1.00 75.00 N ATOM 1126 CA ARG A 72 0.032 -15.199 12.796 1.00 75.00 C ATOM 1127 C ARG A 72 -0.964 -15.325 11.624 1.00 75.00 C ATOM 1128 O ARG A 72 -1.728 -16.295 11.524 1.00 75.00 O ATOM 1129 CB ARG A 72 0.076 -16.519 13.630 1.00 75.00 C ATOM 1130 CG ARG A 72 1.205 -16.601 14.679 1.00 75.00 C ATOM 1131 CD ARG A 72 1.300 -17.995 15.343 1.00 75.00 C ATOM 1132 NE ARG A 72 2.360 -18.062 16.369 1.00 75.00 N ATOM 1133 CZ ARG A 72 2.556 -19.083 17.224 1.00 75.00 C ATOM 1134 NH1 ARG A 72 1.765 -20.157 17.208 1.00 75.00 N ATOM 1135 NH2 ARG A 72 3.553 -19.021 18.096 1.00 75.00 N ATOM 0 H ARG A 72 -0.888 -14.295 14.448 1.00 75.00 H new ATOM 0 HA ARG A 72 1.031 -15.033 12.393 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -0.880 -16.639 14.140 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.179 -17.359 12.944 1.00 75.00 H new ATOM 0 HG2 ARG A 72 2.156 -16.364 14.203 1.00 75.00 H new ATOM 0 HG3 ARG A 72 1.037 -15.847 15.448 1.00 75.00 H new ATOM 0 HD2 ARG A 72 0.341 -18.243 15.799 1.00 75.00 H new ATOM 0 HD3 ARG A 72 1.492 -18.746 14.577 1.00 75.00 H new ATOM 0 HE ARG A 72 2.997 -17.268 16.435 1.00 75.00 H new ATOM 0 HH11 ARG A 72 0.996 -20.214 16.540 1.00 75.00 H new ATOM 0 HH12 ARG A 72 1.929 -20.921 17.864 1.00 75.00 H new ATOM 0 HH21 ARG A 72 4.164 -18.204 18.115 1.00 75.00 H new ATOM 0 HH22 ARG A 72 3.709 -19.790 18.748 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.986 -14.291 10.778 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.674 -14.328 9.476 1.00 75.00 C ATOM 1151 C VAL A 73 -0.755 -15.061 8.485 1.00 75.00 C ATOM 1152 O VAL A 73 -1.184 -15.939 7.736 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.999 -12.866 8.970 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.712 -12.868 7.590 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.824 -12.085 10.029 1.00 50.00 C ATOM 0 H VAL A 73 -0.527 -13.401 10.973 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.626 -14.852 9.565 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.047 -12.353 8.832 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.915 -11.842 7.284 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.071 -13.348 6.850 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.651 -13.416 7.666 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.035 -11.082 9.658 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.762 -12.607 10.217 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.254 -12.017 10.956 1.00 50.00 H new ATOM 1165 N GLN A 74 0.544 -14.727 8.583 1.00 75.00 N ATOM 1166 CA GLN A 74 1.613 -15.251 7.707 1.00 75.00 C ATOM 1167 C GLN A 74 2.185 -16.611 8.186 1.00 75.00 C ATOM 1168 O GLN A 74 3.205 -17.060 7.646 1.00 75.00 O ATOM 1169 CB GLN A 74 2.759 -14.197 7.611 1.00 75.00 C ATOM 1170 CG GLN A 74 3.368 -13.734 8.963 1.00 75.00 C ATOM 1171 CD GLN A 74 4.681 -12.949 8.802 1.00 75.00 C ATOM 1172 OE1 GLN A 74 5.470 -13.213 7.896 1.00 75.00 O ATOM 1173 NE2 GLN A 74 4.921 -11.970 9.661 1.00 75.00 N ATOM 0 H GLN A 74 0.889 -14.073 9.286 1.00 75.00 H new ATOM 0 HA GLN A 74 1.170 -15.430 6.727 1.00 75.00 H new ATOM 0 HB2 GLN A 74 3.558 -14.613 6.998 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.378 -13.321 7.087 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.642 -13.111 9.486 1.00 75.00 H new ATOM 0 HG3 GLN A 74 3.549 -14.607 9.590 1.00 75.00 H new ATOM 0 HE21 GLN A 74 4.252 -11.769 10.405 1.00 75.00 H new ATOM 0 HE22 GLN A 74 5.774 -11.417 9.579 1.00 75.00 H new ATOM 1182 N ARG A 75 1.516 -17.267 9.174 1.00 75.00 N ATOM 1183 CA ARG A 75 2.030 -18.498 9.836 1.00 75.00 C ATOM 1184 C ARG A 75 2.281 -19.645 8.815 1.00 75.00 C ATOM 1185 O ARG A 75 1.370 -20.066 8.098 1.00 75.00 O ATOM 1186 CB ARG A 75 1.060 -18.940 10.981 1.00 75.00 C ATOM 1187 CG ARG A 75 -0.384 -19.305 10.548 1.00 75.00 C ATOM 1188 CD ARG A 75 -1.335 -19.565 11.739 1.00 75.00 C ATOM 1189 NE ARG A 75 -0.819 -20.589 12.674 1.00 75.00 N ATOM 1190 CZ ARG A 75 -1.509 -21.136 13.692 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -2.776 -20.790 13.943 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -0.917 -22.026 14.477 1.00 75.00 N ATOM 0 H ARG A 75 0.612 -16.960 9.531 1.00 75.00 H new ATOM 0 HA ARG A 75 2.998 -18.266 10.280 1.00 75.00 H new ATOM 0 HB2 ARG A 75 1.495 -19.802 11.486 1.00 75.00 H new ATOM 0 HB3 ARG A 75 1.005 -18.135 11.714 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -0.788 -18.496 9.940 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -0.353 -20.193 9.917 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -1.494 -18.633 12.281 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -2.306 -19.883 11.360 1.00 75.00 H new ATOM 0 HE ARG A 75 0.140 -20.907 12.536 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -3.241 -20.097 13.357 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -3.277 -21.219 14.721 1.00 75.00 H new ATOM 0 HH21 ARG A 75 0.053 -22.291 14.307 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -1.432 -22.446 15.251 1.00 75.00 H new ATOM 1206 N SER A 76 3.541 -20.111 8.744 1.00 75.00 N ATOM 1207 CA SER A 76 4.000 -21.060 7.709 1.00 75.00 C ATOM 1208 C SER A 76 5.254 -21.818 8.217 1.00 75.00 C ATOM 1209 O SER A 76 5.574 -21.756 9.415 1.00 75.00 O ATOM 1210 CB SER A 76 4.293 -20.273 6.392 1.00 75.00 C ATOM 1211 OG SER A 76 4.438 -21.134 5.271 1.00 75.00 O ATOM 0 H SER A 76 4.272 -19.841 9.402 1.00 75.00 H new ATOM 0 HA SER A 76 3.228 -21.801 7.501 1.00 75.00 H new ATOM 0 HB2 SER A 76 3.483 -19.569 6.204 1.00 75.00 H new ATOM 0 HB3 SER A 76 5.203 -19.686 6.517 1.00 75.00 H new ATOM 0 HG SER A 76 3.995 -21.989 5.455 1.00 75.00 H new ATOM 1217 N GLN A 77 5.938 -22.554 7.309 1.00 75.00 N ATOM 1218 CA GLN A 77 7.227 -23.224 7.603 1.00 75.00 C ATOM 1219 C GLN A 77 8.322 -22.163 7.872 1.00 75.00 C ATOM 1220 O GLN A 77 9.108 -22.286 8.819 1.00 75.00 O ATOM 1221 CB GLN A 77 7.630 -24.148 6.412 1.00 75.00 C ATOM 1222 CG GLN A 77 8.963 -24.920 6.598 1.00 75.00 C ATOM 1223 CD GLN A 77 8.970 -25.878 7.800 1.00 75.00 C ATOM 1224 OE1 GLN A 77 7.935 -26.430 8.187 1.00 75.00 O ATOM 1225 NE2 GLN A 77 10.135 -26.095 8.396 1.00 75.00 N ATOM 0 H GLN A 77 5.612 -22.700 6.353 1.00 75.00 H new ATOM 0 HA GLN A 77 7.118 -23.841 8.495 1.00 75.00 H new ATOM 0 HB2 GLN A 77 6.830 -24.870 6.246 1.00 75.00 H new ATOM 0 HB3 GLN A 77 7.703 -23.540 5.510 1.00 75.00 H new ATOM 0 HG2 GLN A 77 9.170 -25.489 5.692 1.00 75.00 H new ATOM 0 HG3 GLN A 77 9.774 -24.201 6.715 1.00 75.00 H new ATOM 0 HE21 GLN A 77 10.976 -25.627 8.058 1.00 75.00 H new ATOM 0 HE22 GLN A 77 10.190 -26.730 9.193 1.00 75.00 H new ATOM 1234 N ASN A 78 8.331 -21.116 7.031 1.00 75.00 N ATOM 1235 CA ASN A 78 9.265 -19.977 7.120 1.00 75.00 C ATOM 1236 C ASN A 78 8.461 -18.666 7.257 1.00 75.00 C ATOM 1237 O ASN A 78 7.353 -18.570 6.703 1.00 75.00 O ATOM 1238 CB ASN A 78 10.167 -19.924 5.850 1.00 75.00 C ATOM 1239 CG ASN A 78 11.122 -21.115 5.730 1.00 75.00 C ATOM 1240 OD1 ASN A 78 11.566 -21.681 6.729 1.00 75.00 O ATOM 1241 ND2 ASN A 78 11.468 -21.488 4.508 1.00 75.00 N ATOM 0 H ASN A 78 7.676 -21.034 6.253 1.00 75.00 H new ATOM 0 HA ASN A 78 9.904 -20.101 7.994 1.00 75.00 H new ATOM 0 HB2 ASN A 78 9.532 -19.886 4.965 1.00 75.00 H new ATOM 0 HB3 ASN A 78 10.748 -19.002 5.865 1.00 75.00 H new ATOM 0 HD21 ASN A 78 12.118 -22.263 4.376 1.00 75.00 H new ATOM 0 HD22 ASN A 78 11.084 -21.001 3.698 1.00 75.00 H new ATOM 1248 N PRO A 79 8.970 -17.645 8.027 1.00 75.00 N ATOM 1249 CA PRO A 79 8.380 -16.286 8.033 1.00 75.00 C ATOM 1250 C PRO A 79 8.651 -15.570 6.696 1.00 75.00 C ATOM 1251 O PRO A 79 9.683 -15.817 6.048 1.00 75.00 O ATOM 1252 CB PRO A 79 9.083 -15.566 9.233 1.00 75.00 C ATOM 1253 CG PRO A 79 9.790 -16.662 9.992 1.00 75.00 C ATOM 1254 CD PRO A 79 10.123 -17.722 8.960 1.00 75.00 C ATOM 0 HA PRO A 79 7.296 -16.294 8.145 1.00 75.00 H new ATOM 0 HB2 PRO A 79 9.788 -14.812 8.882 1.00 75.00 H new ATOM 0 HB3 PRO A 79 8.357 -15.054 9.865 1.00 75.00 H new ATOM 0 HG2 PRO A 79 10.693 -16.286 10.473 1.00 75.00 H new ATOM 0 HG3 PRO A 79 9.154 -17.067 10.779 1.00 75.00 H new ATOM 0 HD2 PRO A 79 11.066 -17.513 8.455 1.00 75.00 H new ATOM 0 HD3 PRO A 79 10.214 -18.711 9.410 1.00 75.00 H new ATOM 1262 N LEU A 80 7.727 -14.692 6.295 1.00 75.00 N ATOM 1263 CA LEU A 80 7.846 -13.898 5.056 1.00 75.00 C ATOM 1264 C LEU A 80 8.829 -12.726 5.280 1.00 75.00 C ATOM 1265 O LEU A 80 9.245 -12.471 6.419 1.00 75.00 O ATOM 1266 CB LEU A 80 6.436 -13.402 4.645 1.00 75.00 C ATOM 1267 CG LEU A 80 5.343 -14.514 4.500 1.00 75.00 C ATOM 1268 CD1 LEU A 80 3.949 -13.907 4.287 1.00 75.00 C ATOM 1269 CD2 LEU A 80 5.694 -15.509 3.374 1.00 75.00 C ATOM 0 H LEU A 80 6.871 -14.507 6.818 1.00 75.00 H new ATOM 0 HA LEU A 80 8.246 -14.507 4.245 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.096 -12.677 5.385 1.00 75.00 H new ATOM 0 HB3 LEU A 80 6.519 -12.873 3.695 1.00 75.00 H new ATOM 0 HG LEU A 80 5.322 -15.070 5.437 1.00 75.00 H new ATOM 0 HD11 LEU A 80 3.215 -14.707 4.190 1.00 75.00 H new ATOM 0 HD12 LEU A 80 3.691 -13.279 5.140 1.00 75.00 H new ATOM 0 HD13 LEU A 80 3.950 -13.304 3.379 1.00 75.00 H new ATOM 0 HD21 LEU A 80 4.914 -16.267 3.302 1.00 75.00 H new ATOM 0 HD22 LEU A 80 5.770 -14.975 2.427 1.00 75.00 H new ATOM 0 HD23 LEU A 80 6.647 -15.989 3.597 1.00 75.00 H new ATOM 1281 N LYS A 81 9.195 -12.007 4.203 1.00 75.00 N ATOM 1282 CA LYS A 81 10.242 -10.964 4.267 1.00 75.00 C ATOM 1283 C LYS A 81 9.835 -9.719 3.459 1.00 75.00 C ATOM 1284 O LYS A 81 9.185 -9.826 2.414 1.00 75.00 O ATOM 1285 CB LYS A 81 11.592 -11.536 3.734 1.00 75.00 C ATOM 1286 CG LYS A 81 12.829 -10.609 3.922 1.00 75.00 C ATOM 1287 CD LYS A 81 13.235 -10.415 5.405 1.00 75.00 C ATOM 1288 CE LYS A 81 13.653 -11.735 6.086 1.00 75.00 C ATOM 1289 NZ LYS A 81 14.163 -11.520 7.466 1.00 75.00 N ATOM 0 H LYS A 81 8.783 -12.127 3.278 1.00 75.00 H new ATOM 0 HA LYS A 81 10.364 -10.663 5.308 1.00 75.00 H new ATOM 0 HB2 LYS A 81 11.789 -12.483 4.236 1.00 75.00 H new ATOM 0 HB3 LYS A 81 11.481 -11.755 2.672 1.00 75.00 H new ATOM 0 HG2 LYS A 81 13.673 -11.027 3.374 1.00 75.00 H new ATOM 0 HG3 LYS A 81 12.614 -9.635 3.482 1.00 75.00 H new ATOM 0 HD2 LYS A 81 14.060 -9.705 5.462 1.00 75.00 H new ATOM 0 HD3 LYS A 81 12.400 -9.978 5.952 1.00 75.00 H new ATOM 0 HE2 LYS A 81 12.799 -12.411 6.118 1.00 75.00 H new ATOM 0 HE3 LYS A 81 14.423 -12.222 5.488 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 14.431 -12.434 7.883 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 14.994 -10.896 7.436 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 13.420 -11.079 8.046 1.00 75.00 H new ATOM 1303 N ILE A 82 10.208 -8.539 3.986 1.00 75.00 N ATOM 1304 CA ILE A 82 10.099 -7.243 3.287 1.00 75.00 C ATOM 1305 C ILE A 82 11.496 -6.591 3.236 1.00 75.00 C ATOM 1306 O ILE A 82 12.358 -6.894 4.076 1.00 75.00 O ATOM 1307 CB ILE A 82 9.067 -6.272 3.991 1.00 75.00 C ATOM 1308 CG1 ILE A 82 9.562 -5.829 5.409 1.00 75.00 C ATOM 1309 CG2 ILE A 82 7.680 -6.942 4.073 1.00 75.00 C ATOM 1310 CD1 ILE A 82 8.643 -4.869 6.158 1.00 75.00 C ATOM 0 H ILE A 82 10.600 -8.456 4.924 1.00 75.00 H new ATOM 0 HA ILE A 82 9.726 -7.424 2.279 1.00 75.00 H new ATOM 0 HB ILE A 82 8.985 -5.370 3.385 1.00 75.00 H new ATOM 0 HG12 ILE A 82 9.702 -6.721 6.020 1.00 75.00 H new ATOM 0 HG13 ILE A 82 10.540 -5.359 5.302 1.00 75.00 H new ATOM 0 HG21 ILE A 82 6.977 -6.265 4.559 1.00 75.00 H new ATOM 0 HG22 ILE A 82 7.327 -7.171 3.068 1.00 75.00 H new ATOM 0 HG23 ILE A 82 7.755 -7.864 4.650 1.00 75.00 H new ATOM 0 HD11 ILE A 82 9.081 -4.628 7.127 1.00 75.00 H new ATOM 0 HD12 ILE A 82 8.521 -3.955 5.577 1.00 75.00 H new ATOM 0 HD13 ILE A 82 7.670 -5.338 6.306 1.00 75.00 H new ATOM 1322 N ARG A 83 11.723 -5.728 2.237 1.00 75.00 N ATOM 1323 CA ARG A 83 12.979 -4.969 2.083 1.00 75.00 C ATOM 1324 C ARG A 83 12.629 -3.495 1.837 1.00 75.00 C ATOM 1325 O ARG A 83 12.332 -3.091 0.702 1.00 75.00 O ATOM 1326 CB ARG A 83 13.848 -5.528 0.917 1.00 75.00 C ATOM 1327 CG ARG A 83 14.257 -7.016 1.045 1.00 75.00 C ATOM 1328 CD ARG A 83 15.096 -7.498 -0.151 1.00 75.00 C ATOM 1329 NE ARG A 83 14.439 -7.180 -1.433 1.00 75.00 N ATOM 1330 CZ ARG A 83 15.022 -7.195 -2.640 1.00 75.00 C ATOM 1331 NH1 ARG A 83 16.303 -7.530 -2.780 1.00 75.00 N ATOM 1332 NH2 ARG A 83 14.313 -6.863 -3.709 1.00 75.00 N ATOM 0 H ARG A 83 11.038 -5.533 1.506 1.00 75.00 H new ATOM 0 HA ARG A 83 13.570 -5.068 2.994 1.00 75.00 H new ATOM 0 HB2 ARG A 83 13.299 -5.399 -0.016 1.00 75.00 H new ATOM 0 HB3 ARG A 83 14.753 -4.926 0.841 1.00 75.00 H new ATOM 0 HG2 ARG A 83 14.826 -7.156 1.964 1.00 75.00 H new ATOM 0 HG3 ARG A 83 13.361 -7.631 1.128 1.00 75.00 H new ATOM 0 HD2 ARG A 83 16.080 -7.030 -0.119 1.00 75.00 H new ATOM 0 HD3 ARG A 83 15.252 -8.574 -0.078 1.00 75.00 H new ATOM 0 HE ARG A 83 13.452 -6.926 -1.398 1.00 75.00 H new ATOM 0 HH11 ARG A 83 16.857 -7.781 -1.961 1.00 75.00 H new ATOM 0 HH12 ARG A 83 16.730 -7.536 -3.706 1.00 75.00 H new ATOM 0 HH21 ARG A 83 13.333 -6.599 -3.609 1.00 75.00 H new ATOM 0 HH22 ARG A 83 14.747 -6.871 -4.632 1.00 75.00 H new ATOM 1346 N LEU A 84 12.603 -2.716 2.926 1.00 75.00 N ATOM 1347 CA LEU A 84 12.302 -1.278 2.885 1.00 75.00 C ATOM 1348 C LEU A 84 13.598 -0.513 2.596 1.00 75.00 C ATOM 1349 O LEU A 84 14.389 -0.246 3.508 1.00 75.00 O ATOM 1350 CB LEU A 84 11.646 -0.848 4.224 1.00 75.00 C ATOM 1351 CG LEU A 84 10.350 -1.633 4.595 1.00 75.00 C ATOM 1352 CD1 LEU A 84 9.801 -1.218 5.964 1.00 75.00 C ATOM 1353 CD2 LEU A 84 9.281 -1.486 3.496 1.00 75.00 C ATOM 0 H LEU A 84 12.791 -3.067 3.865 1.00 75.00 H new ATOM 0 HA LEU A 84 11.592 -1.049 2.091 1.00 75.00 H new ATOM 0 HB2 LEU A 84 12.373 -0.974 5.026 1.00 75.00 H new ATOM 0 HB3 LEU A 84 11.409 0.215 4.172 1.00 75.00 H new ATOM 0 HG LEU A 84 10.619 -2.687 4.665 1.00 75.00 H new ATOM 0 HD11 LEU A 84 8.899 -1.789 6.182 1.00 75.00 H new ATOM 0 HD12 LEU A 84 10.550 -1.415 6.731 1.00 75.00 H new ATOM 0 HD13 LEU A 84 9.563 -0.154 5.954 1.00 75.00 H new ATOM 0 HD21 LEU A 84 8.388 -2.043 3.780 1.00 75.00 H new ATOM 0 HD22 LEU A 84 9.028 -0.433 3.373 1.00 75.00 H new ATOM 0 HD23 LEU A 84 9.669 -1.878 2.556 1.00 75.00 H new ATOM 1365 N THR A 85 13.834 -0.249 1.299 1.00 75.00 N ATOM 1366 CA THR A 85 15.065 0.387 0.812 1.00 75.00 C ATOM 1367 C THR A 85 15.107 1.878 1.237 1.00 75.00 C ATOM 1368 O THR A 85 14.065 2.551 1.276 1.00 75.00 O ATOM 1369 CB THR A 85 15.195 0.222 -0.749 1.00 75.00 C ATOM 1370 OG1 THR A 85 16.472 0.704 -1.199 1.00 75.00 O ATOM 1371 CG2 THR A 85 14.063 0.934 -1.530 1.00 75.00 C ATOM 0 H THR A 85 13.171 -0.473 0.557 1.00 75.00 H new ATOM 0 HA THR A 85 15.922 -0.111 1.265 1.00 75.00 H new ATOM 0 HB THR A 85 15.106 -0.845 -0.955 1.00 75.00 H new ATOM 0 HG1 THR A 85 16.539 0.594 -2.170 1.00 75.00 H new ATOM 0 HG21 THR A 85 14.209 0.783 -2.600 1.00 75.00 H new ATOM 0 HG22 THR A 85 13.100 0.520 -1.233 1.00 75.00 H new ATOM 0 HG23 THR A 85 14.083 2.001 -1.308 1.00 75.00 H new ATOM 1379 N ARG A 86 16.310 2.366 1.601 1.00 75.00 N ATOM 1380 CA ARG A 86 16.494 3.739 2.107 1.00 75.00 C ATOM 1381 C ARG A 86 16.381 4.756 0.956 1.00 75.00 C ATOM 1382 O ARG A 86 17.350 5.002 0.225 1.00 75.00 O ATOM 1383 CB ARG A 86 17.860 3.899 2.843 1.00 75.00 C ATOM 1384 CG ARG A 86 18.120 5.328 3.397 1.00 75.00 C ATOM 1385 CD ARG A 86 19.491 5.490 4.077 1.00 75.00 C ATOM 1386 NE ARG A 86 19.724 6.887 4.508 1.00 75.00 N ATOM 1387 CZ ARG A 86 20.816 7.335 5.154 1.00 75.00 C ATOM 1388 NH1 ARG A 86 21.814 6.518 5.474 1.00 75.00 N ATOM 1389 NH2 ARG A 86 20.909 8.622 5.468 1.00 75.00 N ATOM 0 H ARG A 86 17.173 1.825 1.553 1.00 75.00 H new ATOM 0 HA ARG A 86 15.702 3.935 2.830 1.00 75.00 H new ATOM 0 HB2 ARG A 86 17.901 3.188 3.668 1.00 75.00 H new ATOM 0 HB3 ARG A 86 18.664 3.636 2.155 1.00 75.00 H new ATOM 0 HG2 ARG A 86 18.044 6.044 2.579 1.00 75.00 H new ATOM 0 HG3 ARG A 86 17.338 5.578 4.114 1.00 75.00 H new ATOM 0 HD2 ARG A 86 19.550 4.828 4.941 1.00 75.00 H new ATOM 0 HD3 ARG A 86 20.278 5.185 3.387 1.00 75.00 H new ATOM 0 HE ARG A 86 18.994 7.568 4.297 1.00 75.00 H new ATOM 0 HH11 ARG A 86 21.762 5.529 5.230 1.00 75.00 H new ATOM 0 HH12 ARG A 86 22.632 6.880 5.964 1.00 75.00 H new ATOM 0 HH21 ARG A 86 20.156 9.263 5.220 1.00 75.00 H new ATOM 0 HH22 ARG A 86 21.734 8.969 5.958 1.00 75.00 H new ATOM 1403 N GLU A 87 15.171 5.301 0.779 1.00 75.00 N ATOM 1404 CA GLU A 87 14.911 6.369 -0.196 1.00 75.00 C ATOM 1405 C GLU A 87 15.384 7.721 0.373 1.00 75.00 C ATOM 1406 O GLU A 87 15.255 7.961 1.584 1.00 75.00 O ATOM 1407 CB GLU A 87 13.403 6.411 -0.550 1.00 75.00 C ATOM 1408 CG GLU A 87 13.039 7.410 -1.668 1.00 75.00 C ATOM 1409 CD GLU A 87 11.561 7.345 -2.074 1.00 75.00 C ATOM 1410 OE1 GLU A 87 10.729 8.060 -1.472 1.00 75.00 O ATOM 1411 OE2 GLU A 87 11.223 6.589 -3.011 1.00 75.00 O ATOM 0 H GLU A 87 14.346 5.015 1.306 1.00 75.00 H new ATOM 0 HA GLU A 87 15.468 6.167 -1.111 1.00 75.00 H new ATOM 0 HB2 GLU A 87 13.085 5.413 -0.853 1.00 75.00 H new ATOM 0 HB3 GLU A 87 12.839 6.666 0.347 1.00 75.00 H new ATOM 0 HG2 GLU A 87 13.274 8.421 -1.335 1.00 75.00 H new ATOM 0 HG3 GLU A 87 13.659 7.210 -2.542 1.00 75.00 H new ATOM 1418 N ALA A 88 15.947 8.582 -0.501 1.00 75.00 N ATOM 1419 CA ALA A 88 16.381 9.939 -0.132 1.00 75.00 C ATOM 1420 C ALA A 88 15.154 10.779 0.304 1.00 75.00 C ATOM 1421 O ALA A 88 14.195 10.872 -0.467 1.00 75.00 O ATOM 1422 CB ALA A 88 17.115 10.598 -1.319 1.00 75.00 C ATOM 0 H ALA A 88 16.112 8.353 -1.481 1.00 75.00 H new ATOM 0 HA ALA A 88 17.075 9.886 0.707 1.00 75.00 H new ATOM 0 HB1 ALA A 88 17.433 11.602 -1.038 1.00 75.00 H new ATOM 0 HB2 ALA A 88 17.988 10.001 -1.583 1.00 75.00 H new ATOM 0 HB3 ALA A 88 16.443 10.657 -2.175 1.00 75.00 H new ATOM 1428 N PRO A 89 15.142 11.366 1.551 1.00 75.00 N ATOM 1429 CA PRO A 89 13.968 12.101 2.086 1.00 75.00 C ATOM 1430 C PRO A 89 13.727 13.442 1.331 1.00 75.00 C ATOM 1431 O PRO A 89 12.747 13.543 0.561 1.00 75.00 O ATOM 1432 CB PRO A 89 14.313 12.319 3.599 1.00 75.00 C ATOM 1433 CG PRO A 89 15.550 11.501 3.858 1.00 75.00 C ATOM 1434 CD PRO A 89 16.259 11.374 2.525 1.00 75.00 C ATOM 1435 OXT PRO A 89 14.534 14.378 1.496 1.00 75.00 O ATOM 0 HA PRO A 89 13.036 11.551 1.955 1.00 75.00 H new ATOM 0 HB2 PRO A 89 14.489 13.373 3.812 1.00 75.00 H new ATOM 0 HB3 PRO A 89 13.491 11.998 4.238 1.00 75.00 H new ATOM 0 HG2 PRO A 89 16.190 11.986 4.595 1.00 75.00 H new ATOM 0 HG3 PRO A 89 15.292 10.520 4.257 1.00 75.00 H new ATOM 0 HD2 PRO A 89 16.941 12.206 2.350 1.00 75.00 H new ATOM 0 HD3 PRO A 89 16.850 10.460 2.468 1.00 75.00 H new TER 1443 PRO A 89