USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 973 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 65 HIS : no HE2:sc= 0.37 K(o=1.3,f=-1.7!) USER MOD Set 1.2: A 87 TYR OH : rot 12:sc= 0.964 USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= 0.0027 USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0902 USER MOD Single : A 5 SER OG : rot 55:sc= 0.892 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 71:sc= 0.114 USER MOD Single : A 16 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -108:sc= 0.216 USER MOD Single : A 49 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -5.38! C(o=-5.4!,f=-5.7!) USER MOD Single : A 64 THR OG1 : rot 5:sc= -1.97! USER MOD Single : A 68 ASN : amide:sc= -5.55! C(o=-5.6!,f=-6.4!) USER MOD Single : A 69 THR OG1 : rot 46:sc= 0.925 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 29:sc= 0.673 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.104 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 88 THR OG1 : rot 170:sc= -0.0543 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00676 USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0301) USER MOD Single : A 96 SER OG : rot 80:sc= -2.33! USER MOD Single : A 98 TYR OH : rot -130:sc= 0.375 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 105 GLN : amide:sc= -0.456 K(o=-0.46,f=-2.1) USER MOD Single : A 106 THR OG1 : rot 134:sc= -1.22 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -175:sc= 0.259! USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.791 -22.814 -21.219 1.00 0.00 N ATOM 2 CA GLY A 1 -11.452 -21.585 -21.917 1.00 0.00 C ATOM 3 C GLY A 1 -9.985 -21.589 -22.354 1.00 0.00 C ATOM 4 O GLY A 1 -9.556 -22.475 -23.092 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.791 -22.787 -20.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.633 -23.626 -21.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.192 -22.910 -20.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.095 -21.469 -22.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.639 -20.730 -21.267 1.00 0.00 H new ATOM 8 N SER A 2 -9.257 -20.589 -21.880 1.00 0.00 N ATOM 9 CA SER A 2 -7.848 -20.467 -22.212 1.00 0.00 C ATOM 10 C SER A 2 -7.174 -19.462 -21.275 1.00 0.00 C ATOM 11 O SER A 2 -7.463 -18.268 -21.328 1.00 0.00 O ATOM 12 CB SER A 2 -7.661 -20.040 -23.670 1.00 0.00 C ATOM 13 OG SER A 2 -6.356 -20.347 -24.153 1.00 0.00 O ATOM 0 H SER A 2 -9.616 -19.856 -21.269 1.00 0.00 H new ATOM 0 HA SER A 2 -7.381 -21.443 -22.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.404 -20.539 -24.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.838 -18.968 -23.759 1.00 0.00 H new ATOM 0 HG SER A 2 -6.277 -20.061 -25.087 1.00 0.00 H new ATOM 19 N SER A 3 -6.290 -19.984 -20.438 1.00 0.00 N ATOM 20 CA SER A 3 -5.573 -19.148 -19.490 1.00 0.00 C ATOM 21 C SER A 3 -4.173 -18.836 -20.021 1.00 0.00 C ATOM 22 O SER A 3 -3.692 -19.497 -20.941 1.00 0.00 O ATOM 23 CB SER A 3 -5.482 -19.822 -18.119 1.00 0.00 C ATOM 24 OG SER A 3 -4.837 -18.992 -17.158 1.00 0.00 O ATOM 0 H SER A 3 -6.054 -20.975 -20.396 1.00 0.00 H new ATOM 0 HA SER A 3 -6.126 -18.216 -19.371 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.484 -20.070 -17.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.936 -20.761 -18.212 1.00 0.00 H new ATOM 0 HG SER A 3 -4.800 -19.457 -16.296 1.00 0.00 H new ATOM 30 N GLY A 4 -3.557 -17.829 -19.420 1.00 0.00 N ATOM 31 CA GLY A 4 -2.221 -17.421 -19.822 1.00 0.00 C ATOM 32 C GLY A 4 -1.568 -16.549 -18.748 1.00 0.00 C ATOM 33 O GLY A 4 -2.206 -16.195 -17.758 1.00 0.00 O ATOM 0 H GLY A 4 -3.958 -17.283 -18.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.606 -18.303 -20.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.272 -16.870 -20.761 1.00 0.00 H new ATOM 37 N SER A 5 -0.304 -16.227 -18.981 1.00 0.00 N ATOM 38 CA SER A 5 0.442 -15.402 -18.046 1.00 0.00 C ATOM 39 C SER A 5 1.869 -15.191 -18.557 1.00 0.00 C ATOM 40 O SER A 5 2.569 -16.153 -18.870 1.00 0.00 O ATOM 41 CB SER A 5 0.466 -16.033 -16.652 1.00 0.00 C ATOM 42 OG SER A 5 -0.513 -15.460 -15.790 1.00 0.00 O ATOM 0 H SER A 5 0.222 -16.522 -19.803 1.00 0.00 H new ATOM 0 HA SER A 5 -0.057 -14.436 -17.970 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.291 -17.106 -16.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.455 -15.905 -16.213 1.00 0.00 H new ATOM 0 HG SER A 5 -1.396 -15.521 -16.211 1.00 0.00 H new ATOM 48 N SER A 6 2.257 -13.926 -18.628 1.00 0.00 N ATOM 49 CA SER A 6 3.587 -13.576 -19.096 1.00 0.00 C ATOM 50 C SER A 6 3.831 -12.078 -18.908 1.00 0.00 C ATOM 51 O SER A 6 2.902 -11.326 -18.615 1.00 0.00 O ATOM 52 CB SER A 6 3.773 -13.964 -20.564 1.00 0.00 C ATOM 53 OG SER A 6 3.116 -13.056 -21.444 1.00 0.00 O ATOM 0 H SER A 6 1.673 -13.131 -18.369 1.00 0.00 H new ATOM 0 HA SER A 6 4.315 -14.132 -18.506 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.837 -13.991 -20.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.385 -14.970 -20.725 1.00 0.00 H new ATOM 0 HG SER A 6 3.260 -13.337 -22.372 1.00 0.00 H new ATOM 59 N GLY A 7 5.085 -11.688 -19.083 1.00 0.00 N ATOM 60 CA GLY A 7 5.463 -10.293 -18.936 1.00 0.00 C ATOM 61 C GLY A 7 6.809 -10.016 -19.608 1.00 0.00 C ATOM 62 O GLY A 7 7.530 -10.945 -19.968 1.00 0.00 O ATOM 0 H GLY A 7 5.853 -12.314 -19.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.695 -9.656 -19.375 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.521 -10.038 -17.878 1.00 0.00 H new ATOM 66 N ARG A 8 7.107 -8.733 -19.757 1.00 0.00 N ATOM 67 CA ARG A 8 8.354 -8.322 -20.379 1.00 0.00 C ATOM 68 C ARG A 8 8.863 -7.027 -19.743 1.00 0.00 C ATOM 69 O ARG A 8 8.092 -6.283 -19.140 1.00 0.00 O ATOM 70 CB ARG A 8 8.175 -8.107 -21.883 1.00 0.00 C ATOM 71 CG ARG A 8 9.360 -8.678 -22.664 1.00 0.00 C ATOM 72 CD ARG A 8 9.211 -10.188 -22.860 1.00 0.00 C ATOM 73 NE ARG A 8 8.957 -10.491 -24.286 1.00 0.00 N ATOM 74 CZ ARG A 8 8.442 -11.646 -24.728 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.123 -12.614 -23.859 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.246 -11.834 -26.041 1.00 0.00 N ATOM 0 H ARG A 8 6.506 -7.965 -19.458 1.00 0.00 H new ATOM 0 HA ARG A 8 9.081 -9.119 -20.221 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.253 -8.584 -22.215 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.076 -7.042 -22.092 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.431 -8.187 -23.635 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.287 -8.467 -22.131 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.115 -10.697 -22.527 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.391 -10.563 -22.248 1.00 0.00 H new ATOM 0 HE ARG A 8 9.188 -9.776 -24.975 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.272 -12.472 -22.860 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.731 -13.493 -24.196 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.489 -11.098 -26.704 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.854 -12.714 -26.377 1.00 0.00 H new ATOM 90 N ILE A 9 10.159 -6.798 -19.899 1.00 0.00 N ATOM 91 CA ILE A 9 10.780 -5.606 -19.347 1.00 0.00 C ATOM 92 C ILE A 9 11.249 -4.705 -20.491 1.00 0.00 C ATOM 93 O ILE A 9 11.169 -5.084 -21.658 1.00 0.00 O ATOM 94 CB ILE A 9 11.893 -5.986 -18.368 1.00 0.00 C ATOM 95 CG1 ILE A 9 13.058 -6.659 -19.096 1.00 0.00 C ATOM 96 CG2 ILE A 9 11.349 -6.854 -17.231 1.00 0.00 C ATOM 97 CD1 ILE A 9 13.875 -5.635 -19.886 1.00 0.00 C ATOM 0 H ILE A 9 10.796 -7.418 -20.400 1.00 0.00 H new ATOM 0 HA ILE A 9 10.057 -5.034 -18.765 1.00 0.00 H new ATOM 0 HB ILE A 9 12.280 -5.071 -17.919 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.700 -7.163 -18.374 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.676 -7.424 -19.772 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.160 -7.110 -16.549 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.580 -6.304 -16.689 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.920 -7.767 -17.644 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.697 -6.139 -20.394 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.235 -5.150 -20.623 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.276 -4.885 -19.204 1.00 0.00 H new ATOM 109 N GLY A 10 11.728 -3.528 -20.116 1.00 0.00 N ATOM 110 CA GLY A 10 12.210 -2.569 -21.095 1.00 0.00 C ATOM 111 C GLY A 10 11.842 -1.140 -20.691 1.00 0.00 C ATOM 112 O GLY A 10 10.786 -0.909 -20.105 1.00 0.00 O ATOM 0 H GLY A 10 11.793 -3.217 -19.147 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.292 -2.656 -21.192 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.783 -2.796 -22.072 1.00 0.00 H new ATOM 116 N ASP A 11 12.735 -0.218 -21.020 1.00 0.00 N ATOM 117 CA ASP A 11 12.517 1.183 -20.699 1.00 0.00 C ATOM 118 C ASP A 11 13.708 2.006 -21.195 1.00 0.00 C ATOM 119 O ASP A 11 14.743 1.450 -21.558 1.00 0.00 O ATOM 120 CB ASP A 11 12.397 1.389 -19.188 1.00 0.00 C ATOM 121 CG ASP A 11 13.476 0.697 -18.353 1.00 0.00 C ATOM 122 OD1 ASP A 11 14.644 1.130 -18.463 1.00 0.00 O ATOM 123 OD2 ASP A 11 13.110 -0.250 -17.623 1.00 0.00 O ATOM 0 H ASP A 11 13.611 -0.413 -21.505 1.00 0.00 H new ATOM 0 HA ASP A 11 11.592 1.500 -21.181 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.427 2.458 -18.979 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.421 1.028 -18.864 1.00 0.00 H new ATOM 128 N GLY A 12 13.520 3.318 -21.195 1.00 0.00 N ATOM 129 CA GLY A 12 14.566 4.223 -21.640 1.00 0.00 C ATOM 130 C GLY A 12 14.235 5.669 -21.265 1.00 0.00 C ATOM 131 O GLY A 12 13.096 5.980 -20.921 1.00 0.00 O ATOM 0 H GLY A 12 12.659 3.775 -20.894 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.516 3.935 -21.191 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.687 4.142 -22.720 1.00 0.00 H new ATOM 135 N SER A 13 15.252 6.514 -21.343 1.00 0.00 N ATOM 136 CA SER A 13 15.084 7.920 -21.016 1.00 0.00 C ATOM 137 C SER A 13 16.390 8.676 -21.268 1.00 0.00 C ATOM 138 O SER A 13 17.301 8.643 -20.442 1.00 0.00 O ATOM 139 CB SER A 13 14.641 8.098 -19.562 1.00 0.00 C ATOM 140 OG SER A 13 14.030 9.366 -19.342 1.00 0.00 O ATOM 0 H SER A 13 16.196 6.252 -21.628 1.00 0.00 H new ATOM 0 HA SER A 13 14.305 8.329 -21.659 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.940 7.307 -19.297 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.504 7.992 -18.904 1.00 0.00 H new ATOM 0 HG SER A 13 13.760 9.440 -18.403 1.00 0.00 H new ATOM 146 N PRO A 14 16.442 9.357 -22.445 1.00 0.00 N ATOM 147 CA PRO A 14 17.621 10.120 -22.816 1.00 0.00 C ATOM 148 C PRO A 14 17.706 11.423 -22.019 1.00 0.00 C ATOM 149 O PRO A 14 16.691 12.076 -21.781 1.00 0.00 O ATOM 150 CB PRO A 14 17.486 10.348 -24.313 1.00 0.00 C ATOM 151 CG PRO A 14 16.021 10.111 -24.640 1.00 0.00 C ATOM 152 CD PRO A 14 15.383 9.419 -23.448 1.00 0.00 C ATOM 0 HA PRO A 14 18.549 9.597 -22.587 1.00 0.00 H new ATOM 0 HB2 PRO A 14 17.788 11.360 -24.583 1.00 0.00 H new ATOM 0 HB3 PRO A 14 18.126 9.665 -24.871 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.518 11.056 -24.847 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.924 9.496 -25.535 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.522 9.977 -23.081 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.028 8.423 -23.712 1.00 0.00 H new ATOM 160 N SER A 15 18.925 11.761 -21.627 1.00 0.00 N ATOM 161 CA SER A 15 19.155 12.974 -20.860 1.00 0.00 C ATOM 162 C SER A 15 20.591 12.995 -20.333 1.00 0.00 C ATOM 163 O SER A 15 21.180 11.944 -20.083 1.00 0.00 O ATOM 164 CB SER A 15 18.162 13.091 -19.702 1.00 0.00 C ATOM 165 OG SER A 15 17.253 14.173 -19.885 1.00 0.00 O ATOM 0 H SER A 15 19.764 11.216 -21.826 1.00 0.00 H new ATOM 0 HA SER A 15 19.004 13.829 -21.519 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.603 12.160 -19.608 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.708 13.230 -18.769 1.00 0.00 H new ATOM 0 HG SER A 15 16.628 13.956 -20.608 1.00 0.00 H new ATOM 171 N HIS A 16 21.113 14.203 -20.178 1.00 0.00 N ATOM 172 CA HIS A 16 22.469 14.375 -19.684 1.00 0.00 C ATOM 173 C HIS A 16 22.581 13.788 -18.276 1.00 0.00 C ATOM 174 O HIS A 16 21.751 14.072 -17.413 1.00 0.00 O ATOM 175 CB HIS A 16 22.889 15.844 -19.749 1.00 0.00 C ATOM 176 CG HIS A 16 22.370 16.578 -20.963 1.00 0.00 C ATOM 177 ND1 HIS A 16 21.668 17.768 -20.876 1.00 0.00 N ATOM 178 CD2 HIS A 16 22.460 16.280 -22.291 1.00 0.00 C ATOM 179 CE1 HIS A 16 21.353 18.158 -22.103 1.00 0.00 C ATOM 180 NE2 HIS A 16 21.845 17.234 -22.978 1.00 0.00 N ATOM 0 H HIS A 16 20.621 15.072 -20.386 1.00 0.00 H new ATOM 0 HA HIS A 16 23.164 13.830 -20.323 1.00 0.00 H new ATOM 0 HB2 HIS A 16 22.536 16.352 -18.852 1.00 0.00 H new ATOM 0 HB3 HIS A 16 23.977 15.901 -19.741 1.00 0.00 H new ATOM 0 HD2 HIS A 16 22.949 15.414 -22.712 1.00 0.00 H new ATOM 0 HE1 HIS A 16 20.803 19.050 -22.364 1.00 0.00 H new ATOM 0 HE2 HIS A 16 21.755 17.271 -23.993 1.00 0.00 H new ATOM 188 N PRO A 17 23.640 12.958 -18.081 1.00 0.00 N ATOM 189 CA PRO A 17 23.871 12.328 -16.792 1.00 0.00 C ATOM 190 C PRO A 17 24.429 13.334 -15.783 1.00 0.00 C ATOM 191 O PRO A 17 25.141 14.265 -16.157 1.00 0.00 O ATOM 192 CB PRO A 17 24.827 11.182 -17.079 1.00 0.00 C ATOM 193 CG PRO A 17 25.459 11.494 -18.426 1.00 0.00 C ATOM 194 CD PRO A 17 24.643 12.598 -19.079 1.00 0.00 C ATOM 0 HA PRO A 17 22.954 11.958 -16.334 1.00 0.00 H new ATOM 0 HB2 PRO A 17 25.586 11.102 -16.301 1.00 0.00 H new ATOM 0 HB3 PRO A 17 24.298 10.230 -17.107 1.00 0.00 H new ATOM 0 HG2 PRO A 17 26.494 11.809 -18.298 1.00 0.00 H new ATOM 0 HG3 PRO A 17 25.472 10.605 -19.057 1.00 0.00 H new ATOM 0 HD2 PRO A 17 25.268 13.452 -19.338 1.00 0.00 H new ATOM 0 HD3 PRO A 17 24.177 12.253 -20.002 1.00 0.00 H new ATOM 202 N PRO A 18 24.076 13.106 -14.489 1.00 0.00 N ATOM 203 CA PRO A 18 24.534 13.982 -13.424 1.00 0.00 C ATOM 204 C PRO A 18 26.008 13.729 -13.102 1.00 0.00 C ATOM 205 O PRO A 18 26.666 12.933 -13.771 1.00 0.00 O ATOM 206 CB PRO A 18 23.611 13.689 -12.251 1.00 0.00 C ATOM 207 CG PRO A 18 22.975 12.341 -12.548 1.00 0.00 C ATOM 208 CD PRO A 18 23.235 12.014 -14.009 1.00 0.00 C ATOM 0 HA PRO A 18 24.488 15.036 -13.697 1.00 0.00 H new ATOM 0 HB2 PRO A 18 24.167 13.661 -11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 18 22.852 14.465 -12.148 1.00 0.00 H new ATOM 0 HG2 PRO A 18 23.397 11.570 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 18 21.904 12.372 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 18 23.736 11.052 -14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 18 22.304 11.954 -14.573 1.00 0.00 H new ATOM 216 N ILE A 19 26.484 14.421 -12.077 1.00 0.00 N ATOM 217 CA ILE A 19 27.869 14.282 -11.659 1.00 0.00 C ATOM 218 C ILE A 19 28.211 12.797 -11.531 1.00 0.00 C ATOM 219 O ILE A 19 27.324 11.965 -11.344 1.00 0.00 O ATOM 220 CB ILE A 19 28.125 15.085 -10.382 1.00 0.00 C ATOM 221 CG1 ILE A 19 28.066 16.588 -10.658 1.00 0.00 C ATOM 222 CG2 ILE A 19 29.448 14.673 -9.732 1.00 0.00 C ATOM 223 CD1 ILE A 19 26.836 17.218 -10.001 1.00 0.00 C ATOM 0 H ILE A 19 25.935 15.079 -11.524 1.00 0.00 H new ATOM 0 HA ILE A 19 28.539 14.700 -12.411 1.00 0.00 H new ATOM 0 HB ILE A 19 27.331 14.857 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 19 28.970 17.066 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 19 28.038 16.763 -11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 19 29.606 15.259 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.414 13.614 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 19 30.267 14.853 -10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 19 26.818 18.287 -10.213 1.00 0.00 H new ATOM 0 HD12 ILE A 19 25.933 16.754 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 19 26.879 17.062 -8.923 1.00 0.00 H new ATOM 235 N LEU A 20 29.500 12.508 -11.637 1.00 0.00 N ATOM 236 CA LEU A 20 29.971 11.137 -11.535 1.00 0.00 C ATOM 237 C LEU A 20 29.842 10.664 -10.086 1.00 0.00 C ATOM 238 O LEU A 20 30.837 10.317 -9.452 1.00 0.00 O ATOM 239 CB LEU A 20 31.388 11.014 -12.099 1.00 0.00 C ATOM 240 CG LEU A 20 32.020 9.622 -12.028 1.00 0.00 C ATOM 241 CD1 LEU A 20 31.798 8.852 -13.331 1.00 0.00 C ATOM 242 CD2 LEU A 20 33.502 9.711 -11.660 1.00 0.00 C ATOM 0 H LEU A 20 30.233 13.200 -11.793 1.00 0.00 H new ATOM 0 HA LEU A 20 29.353 10.476 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 20 31.371 11.331 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.032 11.712 -11.564 1.00 0.00 H new ATOM 0 HG LEU A 20 31.525 9.062 -11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 20 32.257 7.866 -13.254 1.00 0.00 H new ATOM 0 HD12 LEU A 20 30.729 8.741 -13.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.250 9.399 -14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.927 8.708 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 20 34.029 10.296 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.607 10.192 -10.688 1.00 0.00 H new ATOM 254 N GLU A 21 28.608 10.667 -9.604 1.00 0.00 N ATOM 255 CA GLU A 21 28.337 10.242 -8.241 1.00 0.00 C ATOM 256 C GLU A 21 26.841 10.353 -7.938 1.00 0.00 C ATOM 257 O GLU A 21 26.285 11.450 -7.932 1.00 0.00 O ATOM 258 CB GLU A 21 29.160 11.054 -7.239 1.00 0.00 C ATOM 259 CG GLU A 21 28.822 10.656 -5.801 1.00 0.00 C ATOM 260 CD GLU A 21 29.814 9.618 -5.272 1.00 0.00 C ATOM 261 OE1 GLU A 21 30.865 10.051 -4.753 1.00 0.00 O ATOM 262 OE2 GLU A 21 29.499 8.416 -5.399 1.00 0.00 O ATOM 0 H GLU A 21 27.785 10.957 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 21 28.632 9.197 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 21 30.223 10.896 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.966 12.117 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.839 11.539 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.811 10.252 -5.760 1.00 0.00 H new ATOM 269 N ARG A 22 26.232 9.202 -7.695 1.00 0.00 N ATOM 270 CA ARG A 22 24.811 9.156 -7.393 1.00 0.00 C ATOM 271 C ARG A 22 24.283 7.728 -7.542 1.00 0.00 C ATOM 272 O ARG A 22 23.947 7.298 -8.644 1.00 0.00 O ATOM 273 CB ARG A 22 24.021 10.084 -8.318 1.00 0.00 C ATOM 274 CG ARG A 22 23.420 11.254 -7.537 1.00 0.00 C ATOM 275 CD ARG A 22 22.303 11.930 -8.336 1.00 0.00 C ATOM 276 NE ARG A 22 22.793 13.200 -8.916 1.00 0.00 N ATOM 277 CZ ARG A 22 21.996 14.167 -9.388 1.00 0.00 C ATOM 278 NH1 ARG A 22 20.665 14.016 -9.352 1.00 0.00 N ATOM 279 NH2 ARG A 22 22.529 15.286 -9.897 1.00 0.00 N ATOM 0 H ARG A 22 26.696 8.294 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 22 24.680 9.490 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 22 24.675 10.464 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 22 23.226 9.523 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 22 23.026 10.897 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 22 24.199 11.981 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.960 11.267 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.447 12.122 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 22 23.801 13.348 -8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.259 13.164 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.058 14.753 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.542 15.401 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.922 16.022 -10.256 1.00 0.00 H new ATOM 293 N THR A 23 24.226 7.031 -6.416 1.00 0.00 N ATOM 294 CA THR A 23 23.744 5.661 -6.407 1.00 0.00 C ATOM 295 C THR A 23 22.429 5.563 -5.632 1.00 0.00 C ATOM 296 O THR A 23 21.393 5.223 -6.201 1.00 0.00 O ATOM 297 CB THR A 23 24.853 4.774 -5.837 1.00 0.00 C ATOM 298 OG1 THR A 23 25.584 4.351 -6.985 1.00 0.00 O ATOM 299 CG2 THR A 23 24.313 3.473 -5.239 1.00 0.00 C ATOM 0 H THR A 23 24.506 7.390 -5.503 1.00 0.00 H new ATOM 0 HA THR A 23 23.517 5.315 -7.415 1.00 0.00 H new ATOM 0 HB THR A 23 25.401 5.325 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 23 26.324 3.772 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 23 25.141 2.881 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 23 23.620 3.704 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 23 23.793 2.906 -6.011 1.00 0.00 H new ATOM 307 N LEU A 24 22.514 5.867 -4.345 1.00 0.00 N ATOM 308 CA LEU A 24 21.343 5.817 -3.486 1.00 0.00 C ATOM 309 C LEU A 24 21.188 7.157 -2.764 1.00 0.00 C ATOM 310 O LEU A 24 22.077 7.574 -2.023 1.00 0.00 O ATOM 311 CB LEU A 24 21.422 4.616 -2.541 1.00 0.00 C ATOM 312 CG LEU A 24 20.264 4.462 -1.553 1.00 0.00 C ATOM 313 CD1 LEU A 24 20.360 3.135 -0.798 1.00 0.00 C ATOM 314 CD2 LEU A 24 20.190 5.659 -0.603 1.00 0.00 C ATOM 0 H LEU A 24 23.375 6.149 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 24 20.441 5.668 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.483 3.709 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.350 4.686 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 24 19.333 4.443 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.525 3.051 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 24 20.325 2.309 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 21.298 3.098 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.358 5.524 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 24 21.121 5.735 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 20.038 6.572 -1.179 1.00 0.00 H new ATOM 326 N ASP A 25 20.052 7.796 -3.007 1.00 0.00 N ATOM 327 CA ASP A 25 19.769 9.080 -2.390 1.00 0.00 C ATOM 328 C ASP A 25 18.389 9.563 -2.838 1.00 0.00 C ATOM 329 O ASP A 25 18.080 9.553 -4.029 1.00 0.00 O ATOM 330 CB ASP A 25 20.798 10.132 -2.810 1.00 0.00 C ATOM 331 CG ASP A 25 21.400 9.927 -4.202 1.00 0.00 C ATOM 332 OD1 ASP A 25 20.787 10.436 -5.166 1.00 0.00 O ATOM 333 OD2 ASP A 25 22.459 9.267 -4.271 1.00 0.00 O ATOM 0 H ASP A 25 19.317 7.448 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 25 19.807 8.950 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 25 20.326 11.114 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 25 21.606 10.141 -2.079 1.00 0.00 H new ATOM 338 N ASP A 26 17.595 9.976 -1.861 1.00 0.00 N ATOM 339 CA ASP A 26 16.255 10.462 -2.140 1.00 0.00 C ATOM 340 C ASP A 26 15.303 9.272 -2.276 1.00 0.00 C ATOM 341 O ASP A 26 15.721 8.179 -2.656 1.00 0.00 O ATOM 342 CB ASP A 26 16.216 11.250 -3.451 1.00 0.00 C ATOM 343 CG ASP A 26 17.449 12.115 -3.721 1.00 0.00 C ATOM 344 OD1 ASP A 26 17.709 13.010 -2.888 1.00 0.00 O ATOM 345 OD2 ASP A 26 18.104 11.862 -4.755 1.00 0.00 O ATOM 0 H ASP A 26 17.855 9.984 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 26 15.955 11.113 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.095 10.548 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.335 11.891 -3.446 1.00 0.00 H new ATOM 350 N VAL A 27 14.042 9.524 -1.958 1.00 0.00 N ATOM 351 CA VAL A 27 13.028 8.487 -2.040 1.00 0.00 C ATOM 352 C VAL A 27 12.999 7.919 -3.461 1.00 0.00 C ATOM 353 O VAL A 27 13.513 8.537 -4.391 1.00 0.00 O ATOM 354 CB VAL A 27 11.674 9.041 -1.591 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.558 9.034 -0.065 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.444 10.446 -2.152 1.00 0.00 C ATOM 0 H VAL A 27 13.699 10.432 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 27 13.268 7.665 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 27 10.896 8.390 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.587 9.433 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.657 8.013 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.348 9.652 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.475 10.817 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.230 11.113 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.463 10.411 -3.241 1.00 0.00 H new ATOM 366 N PRO A 28 12.377 6.716 -3.586 1.00 0.00 N ATOM 367 CA PRO A 28 12.274 6.058 -4.878 1.00 0.00 C ATOM 368 C PRO A 28 11.220 6.734 -5.756 1.00 0.00 C ATOM 369 O PRO A 28 10.459 7.577 -5.282 1.00 0.00 O ATOM 370 CB PRO A 28 11.939 4.610 -4.556 1.00 0.00 C ATOM 371 CG PRO A 28 11.411 4.612 -3.131 1.00 0.00 C ATOM 372 CD PRO A 28 11.756 5.954 -2.507 1.00 0.00 C ATOM 0 HA PRO A 28 13.196 6.121 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.194 4.218 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.821 3.976 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.333 4.454 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.857 3.799 -2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.865 6.456 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.436 5.835 -1.664 1.00 0.00 H new ATOM 380 N GLY A 29 11.208 6.340 -7.021 1.00 0.00 N ATOM 381 CA GLY A 29 10.259 6.897 -7.970 1.00 0.00 C ATOM 382 C GLY A 29 8.946 6.113 -7.957 1.00 0.00 C ATOM 383 O GLY A 29 8.724 5.280 -7.079 1.00 0.00 O ATOM 0 H GLY A 29 11.841 5.641 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.065 7.941 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.688 6.878 -8.972 1.00 0.00 H new ATOM 387 N PRO A 30 8.086 6.415 -8.966 1.00 0.00 N ATOM 388 CA PRO A 30 6.800 5.748 -9.079 1.00 0.00 C ATOM 389 C PRO A 30 6.967 4.321 -9.603 1.00 0.00 C ATOM 390 O PRO A 30 7.724 4.085 -10.543 1.00 0.00 O ATOM 391 CB PRO A 30 5.980 6.629 -10.008 1.00 0.00 C ATOM 392 CG PRO A 30 6.982 7.502 -10.746 1.00 0.00 C ATOM 393 CD PRO A 30 8.314 7.397 -10.023 1.00 0.00 C ATOM 0 HA PRO A 30 6.300 5.632 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.399 6.026 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.272 7.237 -9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.083 7.176 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.641 8.537 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.107 7.075 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.618 8.359 -9.611 1.00 0.00 H new ATOM 401 N PRO A 31 6.229 3.380 -8.954 1.00 0.00 N ATOM 402 CA PRO A 31 6.288 1.982 -9.344 1.00 0.00 C ATOM 403 C PRO A 31 5.516 1.742 -10.643 1.00 0.00 C ATOM 404 O PRO A 31 4.286 1.770 -10.653 1.00 0.00 O ATOM 405 CB PRO A 31 5.712 1.219 -8.162 1.00 0.00 C ATOM 406 CG PRO A 31 4.928 2.237 -7.351 1.00 0.00 C ATOM 407 CD PRO A 31 5.321 3.623 -7.836 1.00 0.00 C ATOM 0 HA PRO A 31 7.303 1.648 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.067 0.407 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.504 0.770 -7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.857 2.079 -7.474 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.146 2.128 -6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.448 4.195 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.809 4.195 -7.047 1.00 0.00 H new ATOM 415 N MET A 32 6.269 1.512 -11.708 1.00 0.00 N ATOM 416 CA MET A 32 5.671 1.267 -13.010 1.00 0.00 C ATOM 417 C MET A 32 5.391 -0.223 -13.213 1.00 0.00 C ATOM 418 O MET A 32 5.929 -1.063 -12.494 1.00 0.00 O ATOM 419 CB MET A 32 6.615 1.763 -14.107 1.00 0.00 C ATOM 420 CG MET A 32 7.980 1.078 -14.007 1.00 0.00 C ATOM 421 SD MET A 32 8.785 1.087 -15.600 1.00 0.00 S ATOM 422 CE MET A 32 10.493 1.126 -15.084 1.00 0.00 C ATOM 0 H MET A 32 7.289 1.490 -11.696 1.00 0.00 H new ATOM 0 HA MET A 32 4.725 1.806 -13.061 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.176 1.567 -15.085 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.739 2.843 -14.024 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.601 1.592 -13.273 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.857 0.053 -13.658 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.138 1.135 -15.962 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.674 2.023 -14.491 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.712 0.244 -14.482 1.00 0.00 H new ATOM 432 N GLY A 33 4.548 -0.505 -14.195 1.00 0.00 N ATOM 433 CA GLY A 33 4.189 -1.879 -14.502 1.00 0.00 C ATOM 434 C GLY A 33 2.988 -2.332 -13.668 1.00 0.00 C ATOM 435 O GLY A 33 2.966 -3.453 -13.163 1.00 0.00 O ATOM 0 H GLY A 33 4.103 0.195 -14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.954 -1.969 -15.563 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.039 -2.533 -14.307 1.00 0.00 H new ATOM 439 N ILE A 34 2.020 -1.436 -13.549 1.00 0.00 N ATOM 440 CA ILE A 34 0.819 -1.729 -12.785 1.00 0.00 C ATOM 441 C ILE A 34 -0.223 -2.367 -13.705 1.00 0.00 C ATOM 442 O ILE A 34 -0.855 -1.679 -14.505 1.00 0.00 O ATOM 443 CB ILE A 34 0.320 -0.472 -12.069 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.491 0.398 -11.608 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.614 -0.835 -10.912 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.458 -0.402 -10.734 1.00 0.00 C ATOM 0 H ILE A 34 2.042 -0.507 -13.969 1.00 0.00 H new ATOM 0 HA ILE A 34 1.035 -2.452 -11.998 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.260 0.118 -12.779 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.020 0.791 -12.476 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.114 1.255 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.955 0.076 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.474 -1.383 -11.297 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.079 -1.457 -10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.281 0.240 -10.420 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.932 -0.773 -9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.852 -1.244 -11.304 1.00 0.00 H new ATOM 458 N LEU A 35 -0.371 -3.676 -13.561 1.00 0.00 N ATOM 459 CA LEU A 35 -1.326 -4.415 -14.370 1.00 0.00 C ATOM 460 C LEU A 35 -2.259 -5.207 -13.453 1.00 0.00 C ATOM 461 O LEU A 35 -1.895 -5.533 -12.324 1.00 0.00 O ATOM 462 CB LEU A 35 -0.598 -5.279 -15.402 1.00 0.00 C ATOM 463 CG LEU A 35 0.240 -4.525 -16.437 1.00 0.00 C ATOM 464 CD1 LEU A 35 -0.623 -3.545 -17.234 1.00 0.00 C ATOM 465 CD2 LEU A 35 1.433 -3.831 -15.775 1.00 0.00 C ATOM 0 H LEU A 35 0.154 -4.244 -12.896 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.950 -3.730 -14.945 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.054 -5.972 -14.871 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.338 -5.880 -15.931 1.00 0.00 H new ATOM 0 HG LEU A 35 0.641 -5.250 -17.146 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.002 -3.023 -17.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.410 -4.092 -17.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.073 -2.821 -16.555 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.012 -3.302 -16.532 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.073 -3.120 -15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.064 -4.576 -15.290 1.00 0.00 H new ATOM 477 N PHE A 36 -3.443 -5.494 -13.972 1.00 0.00 N ATOM 478 CA PHE A 36 -4.432 -6.242 -13.214 1.00 0.00 C ATOM 479 C PHE A 36 -4.773 -7.562 -13.909 1.00 0.00 C ATOM 480 O PHE A 36 -5.670 -7.611 -14.750 1.00 0.00 O ATOM 481 CB PHE A 36 -5.691 -5.376 -13.143 1.00 0.00 C ATOM 482 CG PHE A 36 -5.596 -4.221 -12.144 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.954 -4.413 -10.846 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.154 -3.002 -12.554 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.866 -3.341 -9.919 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.066 -1.930 -11.627 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.424 -2.122 -10.329 1.00 0.00 C ATOM 0 H PHE A 36 -3.740 -5.222 -14.909 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.042 -6.475 -12.223 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.897 -4.970 -14.133 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.539 -6.006 -12.874 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.305 -5.381 -10.520 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.870 -2.849 -13.585 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.150 -3.494 -8.888 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.715 -0.962 -11.953 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.357 -1.307 -9.624 1.00 0.00 H new ATOM 497 N PRO A 37 -4.020 -8.626 -13.523 1.00 0.00 N ATOM 498 CA PRO A 37 -4.234 -9.943 -14.101 1.00 0.00 C ATOM 499 C PRO A 37 -5.500 -10.590 -13.537 1.00 0.00 C ATOM 500 O PRO A 37 -6.357 -11.048 -14.291 1.00 0.00 O ATOM 501 CB PRO A 37 -2.972 -10.725 -13.775 1.00 0.00 C ATOM 502 CG PRO A 37 -2.300 -9.976 -12.636 1.00 0.00 C ATOM 503 CD PRO A 37 -2.950 -8.606 -12.531 1.00 0.00 C ATOM 0 HA PRO A 37 -4.398 -9.908 -15.178 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.211 -11.748 -13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.316 -10.787 -14.643 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.412 -10.524 -11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.231 -9.878 -12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.342 -8.430 -11.529 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.233 -7.811 -12.738 1.00 0.00 H new ATOM 511 N GLU A 38 -5.579 -10.607 -12.214 1.00 0.00 N ATOM 512 CA GLU A 38 -6.726 -11.190 -11.540 1.00 0.00 C ATOM 513 C GLU A 38 -7.516 -10.107 -10.802 1.00 0.00 C ATOM 514 O GLU A 38 -7.025 -9.526 -9.836 1.00 0.00 O ATOM 515 CB GLU A 38 -6.293 -12.301 -10.582 1.00 0.00 C ATOM 516 CG GLU A 38 -7.482 -12.819 -9.770 1.00 0.00 C ATOM 517 CD GLU A 38 -7.033 -13.867 -8.749 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.025 -13.595 -8.062 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.709 -14.916 -8.678 1.00 0.00 O ATOM 0 H GLU A 38 -4.867 -10.226 -11.591 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.376 -11.637 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.849 -13.121 -11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.524 -11.925 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.965 -11.988 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.223 -13.253 -10.441 1.00 0.00 H new ATOM 526 N VAL A 39 -8.726 -9.868 -11.286 1.00 0.00 N ATOM 527 CA VAL A 39 -9.588 -8.865 -10.685 1.00 0.00 C ATOM 528 C VAL A 39 -11.027 -9.386 -10.657 1.00 0.00 C ATOM 529 O VAL A 39 -11.612 -9.658 -11.704 1.00 0.00 O ATOM 530 CB VAL A 39 -9.447 -7.538 -11.433 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.514 -6.538 -10.981 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.042 -6.957 -11.258 1.00 0.00 C ATOM 0 H VAL A 39 -9.130 -10.352 -12.088 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.291 -8.674 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.599 -7.734 -12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.392 -5.603 -11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.504 -6.948 -11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.407 -6.350 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.968 -6.014 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.849 -6.784 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.306 -7.659 -11.650 1.00 0.00 H new ATOM 542 N ARG A 40 -11.555 -9.508 -9.448 1.00 0.00 N ATOM 543 CA ARG A 40 -12.914 -9.991 -9.271 1.00 0.00 C ATOM 544 C ARG A 40 -13.796 -8.888 -8.681 1.00 0.00 C ATOM 545 O ARG A 40 -13.426 -7.715 -8.700 1.00 0.00 O ATOM 546 CB ARG A 40 -12.948 -11.210 -8.347 1.00 0.00 C ATOM 547 CG ARG A 40 -11.666 -12.034 -8.478 1.00 0.00 C ATOM 548 CD ARG A 40 -11.652 -13.191 -7.478 1.00 0.00 C ATOM 549 NE ARG A 40 -12.402 -14.343 -8.026 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.584 -15.500 -7.374 1.00 0.00 C ATOM 551 NH1 ARG A 40 -12.072 -15.665 -6.147 1.00 0.00 N ATOM 552 NH2 ARG A 40 -13.278 -16.491 -7.950 1.00 0.00 N ATOM 0 H ARG A 40 -11.067 -9.281 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.294 -10.280 -10.251 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.071 -10.884 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.810 -11.831 -8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.583 -12.425 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.800 -11.394 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.624 -13.484 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.096 -12.873 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.806 -14.251 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.544 -14.910 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.210 -16.545 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.668 -16.365 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.417 -17.372 -7.454 1.00 0.00 H new ATOM 566 N THR A 41 -14.946 -9.304 -8.172 1.00 0.00 N ATOM 567 CA THR A 41 -15.884 -8.366 -7.578 1.00 0.00 C ATOM 568 C THR A 41 -15.313 -7.789 -6.282 1.00 0.00 C ATOM 569 O THR A 41 -14.679 -6.735 -6.293 1.00 0.00 O ATOM 570 CB THR A 41 -17.218 -9.090 -7.386 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.844 -10.426 -7.060 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.003 -9.230 -8.692 1.00 0.00 C ATOM 0 H THR A 41 -15.250 -10.278 -8.158 1.00 0.00 H new ATOM 0 HA THR A 41 -16.054 -7.509 -8.230 1.00 0.00 H new ATOM 0 HB THR A 41 -17.822 -8.550 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.044 -11.016 -7.817 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.941 -9.751 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.214 -8.240 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.414 -9.799 -9.411 1.00 0.00 H new ATOM 580 N THR A 42 -15.558 -8.506 -5.194 1.00 0.00 N ATOM 581 CA THR A 42 -15.076 -8.078 -3.892 1.00 0.00 C ATOM 582 C THR A 42 -13.683 -8.652 -3.624 1.00 0.00 C ATOM 583 O THR A 42 -13.278 -8.795 -2.472 1.00 0.00 O ATOM 584 CB THR A 42 -16.114 -8.489 -2.846 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.109 -9.913 -2.892 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.539 -8.108 -3.253 1.00 0.00 C ATOM 0 H THR A 42 -16.084 -9.380 -5.188 1.00 0.00 H new ATOM 0 HA THR A 42 -14.961 -6.995 -3.849 1.00 0.00 H new ATOM 0 HB THR A 42 -15.872 -8.021 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.754 -10.264 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.236 -8.422 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.604 -7.028 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.794 -8.602 -4.190 1.00 0.00 H new ATOM 594 N SER A 43 -12.988 -8.964 -4.709 1.00 0.00 N ATOM 595 CA SER A 43 -11.649 -9.518 -4.605 1.00 0.00 C ATOM 596 C SER A 43 -10.880 -9.274 -5.905 1.00 0.00 C ATOM 597 O SER A 43 -11.377 -9.571 -6.990 1.00 0.00 O ATOM 598 CB SER A 43 -11.696 -11.014 -4.289 1.00 0.00 C ATOM 599 OG SER A 43 -13.009 -11.550 -4.431 1.00 0.00 O ATOM 0 H SER A 43 -13.327 -8.844 -5.663 1.00 0.00 H new ATOM 0 HA SER A 43 -11.133 -9.017 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.014 -11.546 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.345 -11.180 -3.271 1.00 0.00 H new ATOM 0 HG SER A 43 -12.996 -12.507 -4.222 1.00 0.00 H new ATOM 605 N VAL A 44 -9.680 -8.735 -5.752 1.00 0.00 N ATOM 606 CA VAL A 44 -8.837 -8.447 -6.901 1.00 0.00 C ATOM 607 C VAL A 44 -7.379 -8.746 -6.545 1.00 0.00 C ATOM 608 O VAL A 44 -7.063 -9.029 -5.391 1.00 0.00 O ATOM 609 CB VAL A 44 -9.056 -7.005 -7.363 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.540 -6.635 -7.317 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.222 -6.030 -6.531 1.00 0.00 C ATOM 0 H VAL A 44 -9.271 -8.490 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.105 -9.087 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.724 -6.930 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.669 -5.605 -7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.102 -7.301 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.908 -6.735 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.396 -5.012 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.509 -6.108 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.165 -6.274 -6.636 1.00 0.00 H new ATOM 621 N ARG A 45 -6.529 -8.671 -7.559 1.00 0.00 N ATOM 622 CA ARG A 45 -5.112 -8.930 -7.368 1.00 0.00 C ATOM 623 C ARG A 45 -4.303 -8.331 -8.520 1.00 0.00 C ATOM 624 O ARG A 45 -4.312 -8.861 -9.631 1.00 0.00 O ATOM 625 CB ARG A 45 -4.833 -10.432 -7.284 1.00 0.00 C ATOM 626 CG ARG A 45 -3.351 -10.700 -7.012 1.00 0.00 C ATOM 627 CD ARG A 45 -2.926 -12.057 -7.576 1.00 0.00 C ATOM 628 NE ARG A 45 -3.095 -13.108 -6.548 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.314 -13.233 -5.467 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.306 -12.373 -5.265 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.541 -14.218 -4.586 1.00 0.00 N ATOM 0 H ARG A 45 -6.794 -8.435 -8.515 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.813 -8.464 -6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.438 -10.874 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.128 -10.913 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.747 -9.911 -7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.164 -10.674 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.523 -12.298 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.886 -12.016 -7.899 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.853 -13.779 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.133 -11.623 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.711 -12.468 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.308 -14.872 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.946 -14.313 -3.763 1.00 0.00 H new ATOM 645 N LEU A 46 -3.623 -7.236 -8.217 1.00 0.00 N ATOM 646 CA LEU A 46 -2.810 -6.559 -9.214 1.00 0.00 C ATOM 647 C LEU A 46 -1.331 -6.822 -8.923 1.00 0.00 C ATOM 648 O LEU A 46 -0.986 -7.348 -7.866 1.00 0.00 O ATOM 649 CB LEU A 46 -3.169 -5.074 -9.279 1.00 0.00 C ATOM 650 CG LEU A 46 -2.394 -4.154 -8.334 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.372 -2.718 -8.862 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.952 -4.233 -6.911 1.00 0.00 C ATOM 0 H LEU A 46 -3.618 -6.800 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.016 -6.957 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.013 -4.727 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.233 -4.968 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.361 -4.498 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.815 -2.085 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.892 -2.697 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.393 -2.347 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.383 -3.569 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.999 -3.929 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.872 -5.257 -6.545 1.00 0.00 H new ATOM 664 N ILE A 47 -0.497 -6.444 -9.881 1.00 0.00 N ATOM 665 CA ILE A 47 0.937 -6.633 -9.741 1.00 0.00 C ATOM 666 C ILE A 47 1.662 -5.377 -10.230 1.00 0.00 C ATOM 667 O ILE A 47 1.231 -4.742 -11.191 1.00 0.00 O ATOM 668 CB ILE A 47 1.381 -7.914 -10.450 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.504 -7.692 -11.958 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.444 -9.077 -10.116 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.153 -7.314 -12.569 1.00 0.00 C ATOM 0 H ILE A 47 -0.787 -6.008 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 47 1.203 -6.768 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 47 2.372 -8.182 -10.083 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.230 -6.903 -12.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.881 -8.598 -12.433 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.781 -9.976 -10.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.451 -9.252 -9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.568 -8.832 -10.437 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.269 -7.162 -13.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.564 -8.116 -12.391 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.210 -6.395 -12.109 1.00 0.00 H new ATOM 683 N TRP A 48 2.751 -5.058 -9.547 1.00 0.00 N ATOM 684 CA TRP A 48 3.540 -3.890 -9.900 1.00 0.00 C ATOM 685 C TRP A 48 5.013 -4.302 -9.920 1.00 0.00 C ATOM 686 O TRP A 48 5.350 -5.432 -9.569 1.00 0.00 O ATOM 687 CB TRP A 48 3.258 -2.728 -8.944 1.00 0.00 C ATOM 688 CG TRP A 48 3.701 -2.986 -7.503 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.813 -2.555 -6.892 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.992 -3.758 -6.510 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.873 -2.990 -5.584 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.730 -3.745 -5.344 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.768 -4.444 -6.595 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.327 -4.400 -4.175 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.379 -5.094 -5.418 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.111 -5.091 -4.236 1.00 0.00 C ATOM 0 H TRP A 48 3.106 -5.588 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 48 3.267 -3.526 -10.890 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.763 -1.836 -9.314 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.189 -2.516 -8.952 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.568 -1.944 -7.364 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.618 -2.794 -4.916 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.175 -4.468 -7.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.922 -4.374 -3.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.445 -5.636 -5.429 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.743 -5.619 -3.369 1.00 0.00 H new ATOM 707 N GLN A 49 5.852 -3.364 -10.334 1.00 0.00 N ATOM 708 CA GLN A 49 7.281 -3.616 -10.405 1.00 0.00 C ATOM 709 C GLN A 49 8.055 -2.481 -9.732 1.00 0.00 C ATOM 710 O GLN A 49 7.524 -1.386 -9.550 1.00 0.00 O ATOM 711 CB GLN A 49 7.734 -3.804 -11.854 1.00 0.00 C ATOM 712 CG GLN A 49 7.521 -5.248 -12.313 1.00 0.00 C ATOM 713 CD GLN A 49 8.241 -5.515 -13.637 1.00 0.00 C ATOM 714 OE1 GLN A 49 9.457 -5.495 -13.727 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.423 -5.764 -14.656 1.00 0.00 N ATOM 0 H GLN A 49 5.569 -2.428 -10.624 1.00 0.00 H new ATOM 0 HA GLN A 49 7.493 -4.542 -9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.179 -3.127 -12.503 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.788 -3.541 -11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.889 -5.934 -11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.455 -5.443 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.413 -5.765 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.805 -5.954 -15.582 1.00 0.00 H new ATOM 724 N PRO A 50 9.329 -2.788 -9.371 1.00 0.00 N ATOM 725 CA PRO A 50 10.181 -1.806 -8.721 1.00 0.00 C ATOM 726 C PRO A 50 10.680 -0.764 -9.725 1.00 0.00 C ATOM 727 O PRO A 50 10.815 -1.056 -10.912 1.00 0.00 O ATOM 728 CB PRO A 50 11.306 -2.614 -8.095 1.00 0.00 C ATOM 729 CG PRO A 50 11.299 -3.959 -8.805 1.00 0.00 C ATOM 730 CD PRO A 50 9.991 -4.074 -9.571 1.00 0.00 C ATOM 0 HA PRO A 50 9.654 -1.228 -7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.265 -2.111 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.149 -2.737 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.148 -4.036 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.392 -4.772 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.168 -4.268 -10.629 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.382 -4.896 -9.194 1.00 0.00 H new ATOM 738 N PRO A 51 10.946 0.460 -9.197 1.00 0.00 N ATOM 739 CA PRO A 51 11.427 1.547 -10.033 1.00 0.00 C ATOM 740 C PRO A 51 12.899 1.347 -10.399 1.00 0.00 C ATOM 741 O PRO A 51 13.750 1.221 -9.520 1.00 0.00 O ATOM 742 CB PRO A 51 11.184 2.807 -9.218 1.00 0.00 C ATOM 743 CG PRO A 51 11.009 2.346 -7.780 1.00 0.00 C ATOM 744 CD PRO A 51 10.797 0.841 -7.795 1.00 0.00 C ATOM 0 HA PRO A 51 10.909 1.602 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.022 3.498 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.297 3.335 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.888 2.602 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.157 2.847 -7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.528 0.332 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.810 0.576 -7.415 1.00 0.00 H new ATOM 752 N ALA A 52 13.154 1.323 -11.699 1.00 0.00 N ATOM 753 CA ALA A 52 14.508 1.141 -12.193 1.00 0.00 C ATOM 754 C ALA A 52 15.476 1.949 -11.327 1.00 0.00 C ATOM 755 O ALA A 52 16.623 1.549 -11.133 1.00 0.00 O ATOM 756 CB ALA A 52 14.572 1.542 -13.668 1.00 0.00 C ATOM 0 H ALA A 52 12.445 1.427 -12.425 1.00 0.00 H new ATOM 0 HA ALA A 52 14.802 0.094 -12.127 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.588 1.405 -14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.889 0.919 -14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.285 2.588 -13.773 1.00 0.00 H new ATOM 762 N ALA A 53 14.978 3.070 -10.828 1.00 0.00 N ATOM 763 CA ALA A 53 15.784 3.938 -9.986 1.00 0.00 C ATOM 764 C ALA A 53 15.157 4.015 -8.592 1.00 0.00 C ATOM 765 O ALA A 53 14.408 4.944 -8.295 1.00 0.00 O ATOM 766 CB ALA A 53 15.912 5.313 -10.645 1.00 0.00 C ATOM 0 H ALA A 53 14.026 3.398 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 53 16.791 3.536 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.516 5.964 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.390 5.207 -11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.921 5.749 -10.772 1.00 0.00 H new ATOM 772 N PRO A 54 15.496 3.000 -7.753 1.00 0.00 N ATOM 773 CA PRO A 54 14.976 2.944 -6.398 1.00 0.00 C ATOM 774 C PRO A 54 15.674 3.967 -5.499 1.00 0.00 C ATOM 775 O PRO A 54 15.053 4.539 -4.604 1.00 0.00 O ATOM 776 CB PRO A 54 15.199 1.509 -5.949 1.00 0.00 C ATOM 777 CG PRO A 54 16.249 0.938 -6.888 1.00 0.00 C ATOM 778 CD PRO A 54 16.381 1.883 -8.071 1.00 0.00 C ATOM 0 HA PRO A 54 13.919 3.205 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.539 1.472 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.274 0.935 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.205 0.834 -6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.959 -0.057 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.411 2.217 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.087 1.397 -9.001 1.00 0.00 H new ATOM 786 N ASN A 55 16.956 4.166 -5.769 1.00 0.00 N ATOM 787 CA ASN A 55 17.746 5.109 -4.996 1.00 0.00 C ATOM 788 C ASN A 55 17.360 5.001 -3.519 1.00 0.00 C ATOM 789 O ASN A 55 17.096 6.010 -2.867 1.00 0.00 O ATOM 790 CB ASN A 55 17.484 6.547 -5.449 1.00 0.00 C ATOM 791 CG ASN A 55 17.033 6.588 -6.910 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.815 6.426 -7.833 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.732 6.815 -7.069 1.00 0.00 N ATOM 0 H ASN A 55 17.467 3.690 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 55 18.799 4.869 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.720 6.998 -4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.390 7.141 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.333 6.862 -8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.133 6.942 -6.253 1.00 0.00 H new ATOM 800 N GLY A 56 17.340 3.768 -3.035 1.00 0.00 N ATOM 801 CA GLY A 56 16.991 3.515 -1.647 1.00 0.00 C ATOM 802 C GLY A 56 16.462 2.091 -1.466 1.00 0.00 C ATOM 803 O GLY A 56 15.360 1.773 -1.911 1.00 0.00 O ATOM 0 H GLY A 56 17.560 2.933 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.866 3.665 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.237 4.231 -1.322 1.00 0.00 H new ATOM 807 N ILE A 57 17.272 1.272 -0.811 1.00 0.00 N ATOM 808 CA ILE A 57 16.899 -0.111 -0.566 1.00 0.00 C ATOM 809 C ILE A 57 15.449 -0.165 -0.079 1.00 0.00 C ATOM 810 O ILE A 57 15.158 0.207 1.057 1.00 0.00 O ATOM 811 CB ILE A 57 17.894 -0.773 0.390 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.082 -1.359 -0.375 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.201 -1.820 1.264 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.623 -0.359 -1.398 1.00 0.00 C ATOM 0 H ILE A 57 18.185 1.539 -0.443 1.00 0.00 H new ATOM 0 HA ILE A 57 16.947 -0.688 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 57 18.288 -0.007 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.872 -1.631 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.777 -2.274 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.930 -2.275 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.417 -1.342 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.761 -2.590 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.467 -0.801 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.838 -0.108 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.950 0.545 -0.885 1.00 0.00 H new ATOM 826 N ILE A 58 14.579 -0.632 -0.962 1.00 0.00 N ATOM 827 CA ILE A 58 13.167 -0.739 -0.636 1.00 0.00 C ATOM 828 C ILE A 58 13.007 -1.524 0.667 1.00 0.00 C ATOM 829 O ILE A 58 13.503 -2.643 0.787 1.00 0.00 O ATOM 830 CB ILE A 58 12.390 -1.335 -1.812 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.630 -0.531 -3.091 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.901 -1.455 -1.481 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.359 0.957 -2.862 1.00 0.00 C ATOM 0 H ILE A 58 14.824 -0.941 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 58 12.739 0.249 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 58 12.762 -2.344 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.658 -0.670 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.984 -0.904 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.372 -1.881 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.772 -2.102 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.497 -0.467 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.537 1.506 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.323 1.095 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.023 1.332 -2.084 1.00 0.00 H new ATOM 845 N LEU A 59 12.313 -0.906 1.611 1.00 0.00 N ATOM 846 CA LEU A 59 12.081 -1.532 2.902 1.00 0.00 C ATOM 847 C LEU A 59 10.690 -2.170 2.912 1.00 0.00 C ATOM 848 O LEU A 59 10.435 -3.099 3.676 1.00 0.00 O ATOM 849 CB LEU A 59 12.306 -0.527 4.033 1.00 0.00 C ATOM 850 CG LEU A 59 13.582 0.311 3.943 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.691 1.274 5.127 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.817 -0.583 3.815 1.00 0.00 C ATOM 0 H LEU A 59 11.903 0.022 1.508 1.00 0.00 H new ATOM 0 HA LEU A 59 12.800 -2.333 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.452 0.150 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.318 -1.070 4.978 1.00 0.00 H new ATOM 0 HG LEU A 59 13.529 0.918 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.607 1.858 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.832 1.945 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.711 0.706 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.711 0.038 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.887 -1.234 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.734 -1.191 2.914 1.00 0.00 H new ATOM 864 N ALA A 60 9.827 -1.644 2.055 1.00 0.00 N ATOM 865 CA ALA A 60 8.469 -2.150 1.956 1.00 0.00 C ATOM 866 C ALA A 60 7.690 -1.312 0.941 1.00 0.00 C ATOM 867 O ALA A 60 8.269 -0.486 0.237 1.00 0.00 O ATOM 868 CB ALA A 60 7.819 -2.142 3.341 1.00 0.00 C ATOM 0 H ALA A 60 10.042 -0.873 1.423 1.00 0.00 H new ATOM 0 HA ALA A 60 8.468 -3.181 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.800 -2.522 3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.394 -2.775 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.799 -1.123 3.728 1.00 0.00 H new ATOM 874 N TYR A 61 6.387 -1.552 0.898 1.00 0.00 N ATOM 875 CA TYR A 61 5.523 -0.829 -0.019 1.00 0.00 C ATOM 876 C TYR A 61 4.172 -0.519 0.630 1.00 0.00 C ATOM 877 O TYR A 61 3.887 -0.987 1.731 1.00 0.00 O ATOM 878 CB TYR A 61 5.300 -1.762 -1.212 1.00 0.00 C ATOM 879 CG TYR A 61 6.423 -1.724 -2.249 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.552 -2.499 -2.073 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.308 -0.916 -3.362 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.609 -2.464 -3.049 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.366 -0.881 -4.339 1.00 0.00 C ATOM 884 CZ TYR A 61 8.464 -1.657 -4.134 1.00 0.00 C ATOM 885 OH TYR A 61 9.463 -1.624 -5.057 1.00 0.00 O ATOM 0 H TYR A 61 5.909 -2.237 1.484 1.00 0.00 H new ATOM 0 HA TYR A 61 5.977 0.119 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.191 -2.783 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.361 -1.496 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.642 -3.132 -1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.425 -0.310 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.497 -3.065 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.289 -0.253 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 61 9.222 -1.005 -5.778 1.00 0.00 H new ATOM 895 N GLN A 62 3.378 0.268 -0.080 1.00 0.00 N ATOM 896 CA GLN A 62 2.064 0.647 0.413 1.00 0.00 C ATOM 897 C GLN A 62 1.032 0.572 -0.714 1.00 0.00 C ATOM 898 O GLN A 62 1.289 1.028 -1.827 1.00 0.00 O ATOM 899 CB GLN A 62 2.095 2.043 1.037 1.00 0.00 C ATOM 900 CG GLN A 62 0.681 2.527 1.368 1.00 0.00 C ATOM 901 CD GLN A 62 0.719 3.712 2.334 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.222 3.627 3.443 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.162 4.820 1.853 1.00 0.00 N ATOM 0 H GLN A 62 3.619 0.654 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 62 1.773 -0.057 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.699 2.027 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.571 2.742 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.168 2.817 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.108 1.712 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.241 4.823 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.138 5.667 2.421 1.00 0.00 H new ATOM 912 N ILE A 63 -0.113 -0.007 -0.387 1.00 0.00 N ATOM 913 CA ILE A 63 -1.185 -0.148 -1.358 1.00 0.00 C ATOM 914 C ILE A 63 -2.472 0.446 -0.780 1.00 0.00 C ATOM 915 O ILE A 63 -2.942 0.014 0.271 1.00 0.00 O ATOM 916 CB ILE A 63 -1.324 -1.607 -1.795 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.748 -1.816 -3.198 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.778 -2.073 -1.697 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.073 -3.106 -3.267 1.00 0.00 C ATOM 0 H ILE A 63 -0.322 -0.384 0.537 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.954 0.411 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.742 -2.225 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.559 -1.857 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.121 -0.966 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.849 -3.114 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.120 -1.983 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.403 -1.455 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.471 -3.231 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.897 -3.051 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.563 -3.956 -3.020 1.00 0.00 H new ATOM 931 N THR A 64 -3.005 1.428 -1.493 1.00 0.00 N ATOM 932 CA THR A 64 -4.227 2.085 -1.064 1.00 0.00 C ATOM 933 C THR A 64 -5.341 1.860 -2.089 1.00 0.00 C ATOM 934 O THR A 64 -5.183 2.188 -3.264 1.00 0.00 O ATOM 935 CB THR A 64 -3.911 3.563 -0.825 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.770 4.104 -2.136 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.536 3.771 -0.186 1.00 0.00 C ATOM 0 H THR A 64 -2.613 1.784 -2.365 1.00 0.00 H new ATOM 0 HA THR A 64 -4.597 1.662 -0.130 1.00 0.00 H new ATOM 0 HB THR A 64 -4.678 4.000 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.992 3.417 -2.799 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.361 4.837 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.501 3.260 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.765 3.364 -0.841 1.00 0.00 H new ATOM 945 N HIS A 65 -6.442 1.304 -1.607 1.00 0.00 N ATOM 946 CA HIS A 65 -7.582 1.031 -2.466 1.00 0.00 C ATOM 947 C HIS A 65 -8.827 1.714 -1.898 1.00 0.00 C ATOM 948 O HIS A 65 -9.151 1.546 -0.723 1.00 0.00 O ATOM 949 CB HIS A 65 -7.768 -0.475 -2.661 1.00 0.00 C ATOM 950 CG HIS A 65 -7.458 -1.296 -1.432 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.014 -1.029 -0.193 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.647 -2.379 -1.265 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.550 -1.918 0.673 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.703 -2.754 0.007 1.00 0.00 N ATOM 0 H HIS A 65 -6.569 1.035 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.402 1.447 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.797 -0.667 -2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.128 -0.807 -3.478 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.669 -0.276 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.058 -2.852 -2.037 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.799 -1.971 1.723 1.00 0.00 H new ATOM 962 N ARG A 66 -9.493 2.470 -2.759 1.00 0.00 N ATOM 963 CA ARG A 66 -10.697 3.179 -2.358 1.00 0.00 C ATOM 964 C ARG A 66 -11.508 3.586 -3.589 1.00 0.00 C ATOM 965 O ARG A 66 -10.946 4.040 -4.585 1.00 0.00 O ATOM 966 CB ARG A 66 -10.354 4.429 -1.545 1.00 0.00 C ATOM 967 CG ARG A 66 -9.809 5.537 -2.447 1.00 0.00 C ATOM 968 CD ARG A 66 -9.438 6.777 -1.630 1.00 0.00 C ATOM 969 NE ARG A 66 -9.399 7.968 -2.507 1.00 0.00 N ATOM 970 CZ ARG A 66 -9.079 9.200 -2.087 1.00 0.00 C ATOM 971 NH1 ARG A 66 -8.770 9.410 -0.800 1.00 0.00 N ATOM 972 NH2 ARG A 66 -9.069 10.222 -2.954 1.00 0.00 N ATOM 0 H ARG A 66 -9.222 2.607 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.287 2.506 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.243 4.784 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.616 4.180 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.932 5.175 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.555 5.801 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.164 6.927 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.467 6.633 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.630 7.844 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.778 8.632 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.526 10.348 -0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.305 10.062 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.826 11.160 -2.634 1.00 0.00 H new ATOM 986 N LEU A 67 -12.817 3.410 -3.481 1.00 0.00 N ATOM 987 CA LEU A 67 -13.711 3.753 -4.574 1.00 0.00 C ATOM 988 C LEU A 67 -13.218 5.036 -5.246 1.00 0.00 C ATOM 989 O LEU A 67 -13.032 6.056 -4.584 1.00 0.00 O ATOM 990 CB LEU A 67 -15.156 3.835 -4.078 1.00 0.00 C ATOM 991 CG LEU A 67 -15.923 2.512 -4.025 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.648 2.245 -5.345 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.997 1.357 -3.636 1.00 0.00 C ATOM 0 H LEU A 67 -13.280 3.034 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.703 2.971 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.152 4.270 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.702 4.523 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.685 2.590 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.185 1.299 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.355 3.051 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.921 2.195 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.567 0.428 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.197 1.268 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.566 1.551 -2.654 1.00 0.00 H new ATOM 1005 N ASN A 68 -13.021 4.944 -6.553 1.00 0.00 N ATOM 1006 CA ASN A 68 -12.554 6.084 -7.322 1.00 0.00 C ATOM 1007 C ASN A 68 -13.594 7.204 -7.249 1.00 0.00 C ATOM 1008 O ASN A 68 -13.316 8.340 -7.630 1.00 0.00 O ATOM 1009 CB ASN A 68 -12.359 5.714 -8.794 1.00 0.00 C ATOM 1010 CG ASN A 68 -11.576 6.800 -9.534 1.00 0.00 C ATOM 1011 OD1 ASN A 68 -10.604 7.347 -9.039 1.00 0.00 O ATOM 1012 ND2 ASN A 68 -12.052 7.081 -10.743 1.00 0.00 N ATOM 0 H ASN A 68 -13.177 4.097 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.601 6.406 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.828 4.765 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.330 5.573 -9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.599 7.793 -11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.870 6.585 -11.097 1.00 0.00 H new ATOM 1019 N THR A 69 -14.770 6.844 -6.758 1.00 0.00 N ATOM 1020 CA THR A 69 -15.854 7.804 -6.630 1.00 0.00 C ATOM 1021 C THR A 69 -16.778 7.415 -5.474 1.00 0.00 C ATOM 1022 O THR A 69 -17.678 6.594 -5.644 1.00 0.00 O ATOM 1023 CB THR A 69 -16.571 7.889 -7.979 1.00 0.00 C ATOM 1024 OG1 THR A 69 -17.201 6.619 -8.118 1.00 0.00 O ATOM 1025 CG2 THR A 69 -15.597 7.952 -9.157 1.00 0.00 C ATOM 0 H THR A 69 -14.997 5.900 -6.444 1.00 0.00 H new ATOM 0 HA THR A 69 -15.477 8.796 -6.383 1.00 0.00 H new ATOM 0 HB THR A 69 -17.215 8.769 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.645 6.380 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.158 8.011 -10.090 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.963 8.833 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.975 7.057 -9.163 1.00 0.00 H new ATOM 1033 N THR A 70 -16.523 8.023 -4.325 1.00 0.00 N ATOM 1034 CA THR A 70 -17.320 7.751 -3.142 1.00 0.00 C ATOM 1035 C THR A 70 -16.850 8.616 -1.971 1.00 0.00 C ATOM 1036 O THR A 70 -15.894 9.378 -2.103 1.00 0.00 O ATOM 1037 CB THR A 70 -17.245 6.250 -2.856 1.00 0.00 C ATOM 1038 OG1 THR A 70 -18.526 5.934 -2.316 1.00 0.00 O ATOM 1039 CG2 THR A 70 -16.271 5.917 -1.724 1.00 0.00 C ATOM 0 H THR A 70 -15.775 8.703 -4.188 1.00 0.00 H new ATOM 0 HA THR A 70 -18.366 8.015 -3.301 1.00 0.00 H new ATOM 0 HB THR A 70 -16.943 5.723 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.565 4.978 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.256 4.839 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.271 6.257 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.591 6.417 -0.810 1.00 0.00 H new ATOM 1047 N THR A 71 -17.544 8.470 -0.852 1.00 0.00 N ATOM 1048 CA THR A 71 -17.210 9.229 0.341 1.00 0.00 C ATOM 1049 C THR A 71 -17.108 8.300 1.553 1.00 0.00 C ATOM 1050 O THR A 71 -18.099 7.697 1.962 1.00 0.00 O ATOM 1051 CB THR A 71 -18.256 10.333 0.508 1.00 0.00 C ATOM 1052 OG1 THR A 71 -19.488 9.628 0.635 1.00 0.00 O ATOM 1053 CG2 THR A 71 -18.434 11.167 -0.762 1.00 0.00 C ATOM 0 H THR A 71 -18.337 7.837 -0.746 1.00 0.00 H new ATOM 0 HA THR A 71 -16.231 9.700 0.249 1.00 0.00 H new ATOM 0 HB THR A 71 -17.968 10.984 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 71 -19.322 8.747 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.187 11.936 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.487 11.639 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.755 10.521 -1.579 1.00 0.00 H new ATOM 1061 N ALA A 72 -15.901 8.214 2.092 1.00 0.00 N ATOM 1062 CA ALA A 72 -15.657 7.369 3.249 1.00 0.00 C ATOM 1063 C ALA A 72 -14.770 8.119 4.245 1.00 0.00 C ATOM 1064 O ALA A 72 -14.284 9.209 3.950 1.00 0.00 O ATOM 1065 CB ALA A 72 -15.034 6.047 2.794 1.00 0.00 C ATOM 0 H ALA A 72 -15.081 8.715 1.749 1.00 0.00 H new ATOM 0 HA ALA A 72 -16.593 7.131 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.851 5.413 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.716 5.540 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.091 6.245 2.284 1.00 0.00 H new ATOM 1071 N ASN A 73 -14.587 7.504 5.404 1.00 0.00 N ATOM 1072 CA ASN A 73 -13.767 8.100 6.446 1.00 0.00 C ATOM 1073 C ASN A 73 -12.320 8.195 5.958 1.00 0.00 C ATOM 1074 O ASN A 73 -11.690 9.245 6.072 1.00 0.00 O ATOM 1075 CB ASN A 73 -13.783 7.246 7.715 1.00 0.00 C ATOM 1076 CG ASN A 73 -13.863 8.125 8.966 1.00 0.00 C ATOM 1077 OD1 ASN A 73 -14.924 8.556 9.386 1.00 0.00 O ATOM 1078 ND2 ASN A 73 -12.685 8.364 9.534 1.00 0.00 N ATOM 0 H ASN A 73 -14.992 6.599 5.645 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.171 9.087 6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.634 6.566 7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.884 6.631 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.631 8.940 10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.835 7.972 9.130 1.00 0.00 H new ATOM 1085 N THR A 74 -11.835 7.083 5.425 1.00 0.00 N ATOM 1086 CA THR A 74 -10.474 7.027 4.920 1.00 0.00 C ATOM 1087 C THR A 74 -10.260 5.751 4.103 1.00 0.00 C ATOM 1088 O THR A 74 -11.096 4.849 4.124 1.00 0.00 O ATOM 1089 CB THR A 74 -9.522 7.153 6.111 1.00 0.00 C ATOM 1090 OG1 THR A 74 -8.835 8.380 5.878 1.00 0.00 O ATOM 1091 CG2 THR A 74 -8.415 6.096 6.090 1.00 0.00 C ATOM 0 H THR A 74 -12.361 6.214 5.332 1.00 0.00 H new ATOM 0 HA THR A 74 -10.272 7.851 4.236 1.00 0.00 H new ATOM 0 HB THR A 74 -10.088 7.068 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.479 9.118 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.767 6.230 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.861 5.102 6.120 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.827 6.203 5.178 1.00 0.00 H new ATOM 1099 N ALA A 75 -9.135 5.717 3.403 1.00 0.00 N ATOM 1100 CA ALA A 75 -8.801 4.567 2.581 1.00 0.00 C ATOM 1101 C ALA A 75 -7.920 3.609 3.385 1.00 0.00 C ATOM 1102 O ALA A 75 -6.932 4.027 3.988 1.00 0.00 O ATOM 1103 CB ALA A 75 -8.124 5.039 1.293 1.00 0.00 C ATOM 0 H ALA A 75 -8.444 6.467 3.389 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.703 4.025 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.873 4.176 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.802 5.693 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.214 5.585 1.540 1.00 0.00 H new ATOM 1109 N THR A 76 -8.309 2.342 3.368 1.00 0.00 N ATOM 1110 CA THR A 76 -7.566 1.322 4.089 1.00 0.00 C ATOM 1111 C THR A 76 -6.167 1.158 3.491 1.00 0.00 C ATOM 1112 O THR A 76 -5.995 0.473 2.484 1.00 0.00 O ATOM 1113 CB THR A 76 -8.391 0.034 4.067 1.00 0.00 C ATOM 1114 OG1 THR A 76 -9.365 0.228 5.088 1.00 0.00 O ATOM 1115 CG2 THR A 76 -7.591 -1.182 4.541 1.00 0.00 C ATOM 0 H THR A 76 -9.128 1.999 2.867 1.00 0.00 H new ATOM 0 HA THR A 76 -7.409 1.607 5.129 1.00 0.00 H new ATOM 0 HB THR A 76 -8.758 -0.144 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.945 -0.560 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.223 -2.069 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.728 -1.325 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.252 -1.018 5.564 1.00 0.00 H new ATOM 1123 N VAL A 77 -5.204 1.799 4.137 1.00 0.00 N ATOM 1124 CA VAL A 77 -3.826 1.733 3.682 1.00 0.00 C ATOM 1125 C VAL A 77 -3.148 0.508 4.299 1.00 0.00 C ATOM 1126 O VAL A 77 -3.253 0.276 5.502 1.00 0.00 O ATOM 1127 CB VAL A 77 -3.104 3.042 4.007 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -1.609 2.935 3.700 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -3.735 4.217 3.256 1.00 0.00 C ATOM 0 H VAL A 77 -5.351 2.366 4.972 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.787 1.616 2.599 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.214 3.229 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.120 3.879 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.171 2.137 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.470 2.713 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.203 5.135 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.670 4.040 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.781 4.314 3.545 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.467 -0.244 3.446 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.772 -1.439 3.892 1.00 0.00 C ATOM 1141 C GLU A 78 -0.302 -1.388 3.469 1.00 0.00 C ATOM 1142 O GLU A 78 0.008 -1.027 2.335 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.452 -2.701 3.358 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.531 -3.916 3.482 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.277 -5.112 4.077 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.385 -5.396 3.575 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -1.722 -5.715 5.021 1.00 0.00 O ATOM 0 H GLU A 78 -2.382 -0.048 2.449 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.816 -1.475 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.375 -2.882 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.728 -2.555 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.138 -4.180 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.677 -3.666 4.111 1.00 0.00 H new ATOM 1154 N VAL A 79 0.563 -1.755 4.403 1.00 0.00 N ATOM 1155 CA VAL A 79 1.992 -1.755 4.140 1.00 0.00 C ATOM 1156 C VAL A 79 2.431 -3.163 3.731 1.00 0.00 C ATOM 1157 O VAL A 79 2.128 -4.136 4.420 1.00 0.00 O ATOM 1158 CB VAL A 79 2.748 -1.224 5.360 1.00 0.00 C ATOM 1159 CG1 VAL A 79 4.122 -1.887 5.485 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.877 0.299 5.305 1.00 0.00 C ATOM 0 H VAL A 79 0.302 -2.054 5.343 1.00 0.00 H new ATOM 0 HA VAL A 79 2.228 -1.087 3.311 1.00 0.00 H new ATOM 0 HB VAL A 79 2.171 -1.479 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.638 -1.492 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.998 -2.964 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.710 -1.677 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.418 0.650 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.421 0.586 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.884 0.748 5.287 1.00 0.00 H new ATOM 1170 N LEU A 80 3.137 -3.226 2.612 1.00 0.00 N ATOM 1171 CA LEU A 80 3.620 -4.498 2.103 1.00 0.00 C ATOM 1172 C LEU A 80 5.134 -4.581 2.303 1.00 0.00 C ATOM 1173 O LEU A 80 5.766 -3.602 2.699 1.00 0.00 O ATOM 1174 CB LEU A 80 3.180 -4.696 0.650 1.00 0.00 C ATOM 1175 CG LEU A 80 1.693 -4.983 0.433 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.147 -4.180 -0.750 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.442 -6.483 0.272 1.00 0.00 C ATOM 0 H LEU A 80 3.386 -2.417 2.043 1.00 0.00 H new ATOM 0 HA LEU A 80 3.179 -5.324 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.443 -3.801 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.754 -5.520 0.226 1.00 0.00 H new ATOM 0 HG LEU A 80 1.149 -4.659 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.088 -4.402 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.273 -3.115 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.691 -4.450 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.377 -6.659 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.999 -6.855 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.771 -7.005 1.170 1.00 0.00 H new ATOM 1189 N ALA A 81 5.673 -5.758 2.022 1.00 0.00 N ATOM 1190 CA ALA A 81 7.102 -5.981 2.166 1.00 0.00 C ATOM 1191 C ALA A 81 7.832 -5.378 0.965 1.00 0.00 C ATOM 1192 O ALA A 81 7.203 -4.996 -0.021 1.00 0.00 O ATOM 1193 CB ALA A 81 7.372 -7.479 2.321 1.00 0.00 C ATOM 0 H ALA A 81 5.146 -6.568 1.695 1.00 0.00 H new ATOM 0 HA ALA A 81 7.479 -5.488 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.444 -7.646 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.856 -7.852 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.009 -8.007 1.439 1.00 0.00 H new ATOM 1199 N PRO A 82 9.184 -5.309 1.090 1.00 0.00 N ATOM 1200 CA PRO A 82 10.007 -4.758 0.026 1.00 0.00 C ATOM 1201 C PRO A 82 10.130 -5.744 -1.138 1.00 0.00 C ATOM 1202 O PRO A 82 10.671 -5.404 -2.189 1.00 0.00 O ATOM 1203 CB PRO A 82 11.342 -4.445 0.683 1.00 0.00 C ATOM 1204 CG PRO A 82 11.374 -5.255 1.968 1.00 0.00 C ATOM 1205 CD PRO A 82 9.963 -5.751 2.243 1.00 0.00 C ATOM 0 HA PRO A 82 9.576 -3.860 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.172 -4.716 0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.435 -3.379 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.062 -6.095 1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.731 -4.643 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.938 -6.836 2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.570 -5.334 3.170 1.00 0.00 H new ATOM 1213 N SER A 83 9.620 -6.945 -0.910 1.00 0.00 N ATOM 1214 CA SER A 83 9.667 -7.983 -1.926 1.00 0.00 C ATOM 1215 C SER A 83 8.249 -8.323 -2.392 1.00 0.00 C ATOM 1216 O SER A 83 7.961 -9.471 -2.726 1.00 0.00 O ATOM 1217 CB SER A 83 10.369 -9.237 -1.402 1.00 0.00 C ATOM 1218 OG SER A 83 11.015 -9.963 -2.444 1.00 0.00 O ATOM 0 H SER A 83 9.172 -7.223 -0.037 1.00 0.00 H new ATOM 0 HA SER A 83 10.241 -7.607 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.104 -8.953 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.640 -9.881 -0.909 1.00 0.00 H new ATOM 0 HG SER A 83 11.452 -10.755 -2.068 1.00 0.00 H new ATOM 1224 N ALA A 84 7.403 -7.304 -2.398 1.00 0.00 N ATOM 1225 CA ALA A 84 6.022 -7.481 -2.817 1.00 0.00 C ATOM 1226 C ALA A 84 5.847 -6.922 -4.230 1.00 0.00 C ATOM 1227 O ALA A 84 6.052 -5.731 -4.460 1.00 0.00 O ATOM 1228 CB ALA A 84 5.092 -6.810 -1.805 1.00 0.00 C ATOM 0 H ALA A 84 7.646 -6.353 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 84 5.762 -8.539 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.057 -6.942 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.235 -7.263 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.321 -5.746 -1.750 1.00 0.00 H new ATOM 1234 N ARG A 85 5.470 -7.808 -5.141 1.00 0.00 N ATOM 1235 CA ARG A 85 5.265 -7.417 -6.525 1.00 0.00 C ATOM 1236 C ARG A 85 3.771 -7.379 -6.850 1.00 0.00 C ATOM 1237 O ARG A 85 3.364 -6.787 -7.848 1.00 0.00 O ATOM 1238 CB ARG A 85 5.963 -8.388 -7.480 1.00 0.00 C ATOM 1239 CG ARG A 85 6.840 -7.636 -8.483 1.00 0.00 C ATOM 1240 CD ARG A 85 8.303 -8.067 -8.363 1.00 0.00 C ATOM 1241 NE ARG A 85 8.618 -9.081 -9.393 1.00 0.00 N ATOM 1242 CZ ARG A 85 9.853 -9.532 -9.650 1.00 0.00 C ATOM 1243 NH1 ARG A 85 10.897 -9.061 -8.954 1.00 0.00 N ATOM 1244 NH2 ARG A 85 10.045 -10.454 -10.604 1.00 0.00 N ATOM 0 H ARG A 85 5.301 -8.795 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 85 5.694 -6.424 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.574 -9.088 -6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.218 -8.978 -8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.484 -7.824 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.758 -6.563 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.956 -7.202 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.490 -8.475 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 85 7.847 -9.461 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.751 -8.359 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.837 -9.405 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.251 -10.812 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.985 -10.797 -10.800 1.00 0.00 H new ATOM 1258 N GLN A 86 2.993 -8.017 -5.987 1.00 0.00 N ATOM 1259 CA GLN A 86 1.553 -8.063 -6.170 1.00 0.00 C ATOM 1260 C GLN A 86 0.846 -8.082 -4.813 1.00 0.00 C ATOM 1261 O GLN A 86 1.440 -8.459 -3.805 1.00 0.00 O ATOM 1262 CB GLN A 86 1.145 -9.270 -7.017 1.00 0.00 C ATOM 1263 CG GLN A 86 1.592 -10.578 -6.359 1.00 0.00 C ATOM 1264 CD GLN A 86 2.052 -11.591 -7.409 1.00 0.00 C ATOM 1265 OE1 GLN A 86 1.271 -12.121 -8.181 1.00 0.00 O ATOM 1266 NE2 GLN A 86 3.361 -11.829 -7.394 1.00 0.00 N ATOM 0 H GLN A 86 3.334 -8.506 -5.159 1.00 0.00 H new ATOM 0 HA GLN A 86 1.246 -7.165 -6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.063 -9.277 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.587 -9.188 -8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.405 -10.379 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.769 -10.997 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.959 -11.350 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.767 -12.490 -8.056 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.413 -7.670 -4.832 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.207 -7.634 -3.616 1.00 0.00 C ATOM 1277 C TYR A 87 -2.663 -8.010 -3.900 1.00 0.00 C ATOM 1278 O TYR A 87 -3.257 -7.524 -4.862 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.154 -6.188 -3.119 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.125 -5.886 -1.976 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.786 -6.211 -0.678 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.341 -5.290 -2.244 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.701 -5.926 0.397 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.255 -5.006 -1.168 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.890 -5.338 0.099 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.754 -5.070 1.115 1.00 0.00 O ATOM 0 H TYR A 87 -0.903 -7.358 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.819 -8.342 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.139 -5.965 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.371 -5.520 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.835 -6.679 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.607 -5.037 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.448 -6.174 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.209 -4.540 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.294 -5.181 1.973 1.00 0.00 H new ATOM 1296 N THR A 88 -3.196 -8.871 -3.046 1.00 0.00 N ATOM 1297 CA THR A 88 -4.571 -9.317 -3.193 1.00 0.00 C ATOM 1298 C THR A 88 -5.509 -8.437 -2.365 1.00 0.00 C ATOM 1299 O THR A 88 -5.406 -8.394 -1.140 1.00 0.00 O ATOM 1300 CB THR A 88 -4.632 -10.797 -2.811 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.448 -11.351 -3.379 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.767 -11.539 -3.519 1.00 0.00 C ATOM 0 H THR A 88 -2.700 -9.272 -2.250 1.00 0.00 H new ATOM 0 HA THR A 88 -4.910 -9.218 -4.224 1.00 0.00 H new ATOM 0 HB THR A 88 -4.757 -10.888 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.323 -12.265 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.765 -12.585 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.721 -11.084 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.625 -11.477 -4.598 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.403 -7.756 -3.067 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.359 -6.879 -2.412 1.00 0.00 C ATOM 1312 C ALA A 89 -8.701 -7.602 -2.280 1.00 0.00 C ATOM 1313 O ALA A 89 -9.351 -7.899 -3.282 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.475 -5.572 -3.198 1.00 0.00 C ATOM 0 H ALA A 89 -6.485 -7.794 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.021 -6.626 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.192 -4.914 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.502 -5.083 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.814 -5.786 -4.212 1.00 0.00 H new ATOM 1320 N THR A 90 -9.077 -7.865 -1.037 1.00 0.00 N ATOM 1321 CA THR A 90 -10.329 -8.547 -0.762 1.00 0.00 C ATOM 1322 C THR A 90 -11.304 -7.606 -0.051 1.00 0.00 C ATOM 1323 O THR A 90 -10.889 -6.623 0.560 1.00 0.00 O ATOM 1324 CB THR A 90 -10.013 -9.812 0.038 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.254 -9.341 1.147 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.053 -10.747 -0.701 1.00 0.00 C ATOM 0 H THR A 90 -8.536 -7.618 -0.209 1.00 0.00 H new ATOM 0 HA THR A 90 -10.828 -8.845 -1.684 1.00 0.00 H new ATOM 0 HB THR A 90 -10.939 -10.343 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.008 -10.097 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.862 -11.629 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.498 -11.051 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.114 -10.227 -0.892 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.582 -7.942 -0.154 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.619 -7.139 0.472 1.00 0.00 C ATOM 1336 C GLY A 91 -13.792 -5.804 -0.254 1.00 0.00 C ATOM 1337 O GLY A 91 -13.567 -4.743 0.327 1.00 0.00 O ATOM 0 H GLY A 91 -12.923 -8.759 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.562 -7.686 0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.364 -6.959 1.516 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.190 -5.899 -1.514 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.396 -4.712 -2.326 1.00 0.00 C ATOM 1343 C LEU A 92 -15.835 -4.698 -2.846 1.00 0.00 C ATOM 1344 O LEU A 92 -16.490 -5.738 -2.898 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.342 -4.629 -3.431 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.919 -5.026 -3.032 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.156 -5.603 -4.226 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.180 -3.848 -2.395 1.00 0.00 C ATOM 0 H LEU A 92 -14.375 -6.780 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.265 -3.812 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.658 -5.267 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.320 -3.607 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.982 -5.812 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.148 -5.877 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.675 -6.487 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.101 -4.856 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.171 -4.157 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.126 -3.024 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.715 -3.522 -1.503 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.285 -3.508 -3.218 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.634 -3.346 -3.733 1.00 0.00 C ATOM 1362 C LYS A 93 -17.623 -3.539 -5.250 1.00 0.00 C ATOM 1363 O LYS A 93 -16.875 -2.868 -5.960 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.219 -2.004 -3.288 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.521 -1.700 -4.031 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.495 -0.292 -4.629 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.473 0.771 -3.529 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.812 0.908 -2.914 1.00 0.00 N ATOM 0 H LYS A 93 -15.739 -2.647 -3.173 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.294 -4.109 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.405 -2.022 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.496 -1.209 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.671 -2.433 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.365 -1.793 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.617 -0.180 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.370 -0.146 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.742 0.499 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.158 1.728 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.806 1.702 -2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -21.518 1.088 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.055 0.030 -2.411 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.484 -4.484 -5.716 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.580 -4.774 -7.136 1.00 0.00 C ATOM 1384 C PRO A 94 -19.341 -3.668 -7.871 1.00 0.00 C ATOM 1385 O PRO A 94 -20.083 -2.905 -7.255 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.272 -6.125 -7.216 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.951 -6.325 -5.871 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.385 -5.297 -4.905 1.00 0.00 C ATOM 0 HA PRO A 94 -17.606 -4.811 -7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.999 -6.144 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.554 -6.921 -7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.030 -6.205 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.774 -7.335 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.176 -4.691 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.854 -5.776 -4.083 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.131 -3.618 -9.178 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.788 -2.618 -10.004 1.00 0.00 C ATOM 1398 C GLU A 95 -19.308 -1.217 -9.623 1.00 0.00 C ATOM 1399 O GLU A 95 -20.104 -0.281 -9.554 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.310 -2.727 -9.889 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.850 -3.838 -10.792 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.306 -3.276 -12.140 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.473 -2.832 -12.204 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -21.478 -3.304 -13.076 1.00 0.00 O ATOM 0 H GLU A 95 -18.515 -4.253 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.521 -2.801 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.587 -2.928 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.768 -1.776 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.078 -4.591 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.685 -4.337 -10.301 1.00 0.00 H new ATOM 1411 N SER A 96 -18.008 -1.115 -9.386 1.00 0.00 N ATOM 1412 CA SER A 96 -17.413 0.157 -9.014 1.00 0.00 C ATOM 1413 C SER A 96 -15.978 0.237 -9.539 1.00 0.00 C ATOM 1414 O SER A 96 -15.527 -0.651 -10.261 1.00 0.00 O ATOM 1415 CB SER A 96 -17.434 0.353 -7.497 1.00 0.00 C ATOM 1416 OG SER A 96 -18.438 1.280 -7.092 1.00 0.00 O ATOM 0 H SER A 96 -17.351 -1.893 -9.444 1.00 0.00 H new ATOM 0 HA SER A 96 -18.003 0.955 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.609 -0.606 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.458 0.707 -7.164 1.00 0.00 H new ATOM 0 HG SER A 96 -19.309 0.832 -7.074 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.300 1.309 -9.155 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.926 1.516 -9.579 1.00 0.00 C ATOM 1424 C VAL A 97 -13.053 1.783 -8.350 1.00 0.00 C ATOM 1425 O VAL A 97 -13.340 2.686 -7.566 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.861 2.641 -10.614 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.493 2.678 -11.298 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.985 2.505 -11.643 1.00 0.00 C ATOM 0 H VAL A 97 -15.677 2.043 -8.555 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.538 0.622 -10.066 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.999 3.587 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.473 3.486 -12.029 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.717 2.845 -10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.313 1.729 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.916 3.317 -12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.892 1.550 -12.159 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.949 2.551 -11.137 1.00 0.00 H new ATOM 1438 N TYR A 98 -12.006 0.981 -8.222 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.090 1.120 -7.103 1.00 0.00 C ATOM 1440 C TYR A 98 -9.724 1.625 -7.572 1.00 0.00 C ATOM 1441 O TYR A 98 -9.141 1.073 -8.504 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.928 -0.283 -6.515 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.977 -0.642 -5.461 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.310 -0.715 -5.812 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.591 -0.892 -4.160 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.298 -1.053 -4.820 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.579 -1.229 -3.168 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.883 -1.293 -3.547 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.816 -1.611 -2.610 1.00 0.00 O ATOM 0 H TYR A 98 -11.772 0.233 -8.875 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.476 1.836 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.976 -1.012 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.937 -0.367 -6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.612 -0.519 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.548 -0.835 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.344 -1.114 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.291 -1.426 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.691 -1.046 -1.819 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.253 2.668 -6.904 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.967 3.253 -7.241 1.00 0.00 C ATOM 1461 C LEU A 99 -6.881 2.626 -6.365 1.00 0.00 C ATOM 1462 O LEU A 99 -6.904 2.769 -5.143 1.00 0.00 O ATOM 1463 CB LEU A 99 -8.030 4.779 -7.143 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.688 5.511 -7.202 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -6.027 5.558 -5.824 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.771 4.890 -8.258 1.00 0.00 C ATOM 0 H LEU A 99 -9.739 3.123 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.709 3.033 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.659 5.149 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.525 5.043 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.874 6.542 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.075 6.084 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.679 6.081 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.855 4.542 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.824 5.429 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.588 3.844 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.247 4.954 -9.236 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.956 1.943 -7.023 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.863 1.293 -6.320 1.00 0.00 C ATOM 1480 C PHE A 100 -3.588 2.136 -6.389 1.00 0.00 C ATOM 1481 O PHE A 100 -3.009 2.306 -7.461 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.614 -0.045 -7.019 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.464 -1.197 -6.478 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.776 -1.295 -6.823 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.908 -2.123 -5.652 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.565 -2.364 -6.322 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.696 -3.192 -5.150 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.008 -3.290 -5.496 1.00 0.00 C ATOM 0 H PHE A 100 -5.941 1.826 -8.036 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.123 1.161 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.813 0.071 -8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.560 -0.306 -6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.218 -0.559 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.866 -2.045 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.607 -2.442 -6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.254 -3.927 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.608 -4.103 -5.115 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.187 2.640 -5.231 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.991 3.461 -5.147 1.00 0.00 C ATOM 1500 C ARG A 101 -0.836 2.656 -4.549 1.00 0.00 C ATOM 1501 O ARG A 101 -0.859 2.313 -3.368 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.235 4.704 -4.288 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.460 5.906 -4.831 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.270 7.195 -4.678 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.883 7.251 -3.332 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.693 8.234 -2.916 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.994 9.248 -3.738 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -4.203 8.202 -1.677 1.00 0.00 N ATOM 0 H ARG A 101 -3.669 2.496 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.734 3.777 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.301 4.933 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.932 4.505 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.513 6.002 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.221 5.745 -5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.624 8.060 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.046 7.239 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.676 6.494 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.607 9.272 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.611 9.996 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.974 7.430 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.820 8.950 -1.360 1.00 0.00 H new ATOM 1522 N ILE A 102 0.148 2.377 -5.392 1.00 0.00 N ATOM 1523 CA ILE A 102 1.310 1.618 -4.961 1.00 0.00 C ATOM 1524 C ILE A 102 2.446 2.584 -4.619 1.00 0.00 C ATOM 1525 O ILE A 102 2.667 3.564 -5.329 1.00 0.00 O ATOM 1526 CB ILE A 102 1.687 0.573 -6.013 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.607 -0.505 -6.127 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.065 -0.025 -5.723 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.565 -1.092 -7.539 1.00 0.00 C ATOM 0 H ILE A 102 0.164 2.663 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 102 1.084 1.057 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 102 1.749 1.070 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.802 -1.298 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.365 -0.079 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.308 -0.765 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.814 0.766 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.055 -0.503 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.211 -1.856 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.345 -0.301 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.531 -1.539 -7.776 1.00 0.00 H new ATOM 1541 N THR A 103 3.137 2.273 -3.532 1.00 0.00 N ATOM 1542 CA THR A 103 4.245 3.102 -3.088 1.00 0.00 C ATOM 1543 C THR A 103 5.307 2.245 -2.396 1.00 0.00 C ATOM 1544 O THR A 103 5.009 1.156 -1.906 1.00 0.00 O ATOM 1545 CB THR A 103 3.680 4.207 -2.194 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.543 4.684 -2.909 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.605 5.423 -2.111 1.00 0.00 C ATOM 0 H THR A 103 2.951 1.459 -2.946 1.00 0.00 H new ATOM 0 HA THR A 103 4.750 3.573 -3.932 1.00 0.00 H new ATOM 0 HB THR A 103 3.509 3.812 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.114 5.403 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.157 6.177 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.569 5.120 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.749 5.839 -3.108 1.00 0.00 H new ATOM 1555 N ALA A 104 6.524 2.768 -2.378 1.00 0.00 N ATOM 1556 CA ALA A 104 7.632 2.065 -1.754 1.00 0.00 C ATOM 1557 C ALA A 104 8.050 2.807 -0.482 1.00 0.00 C ATOM 1558 O ALA A 104 7.741 3.986 -0.317 1.00 0.00 O ATOM 1559 CB ALA A 104 8.781 1.932 -2.755 1.00 0.00 C ATOM 0 H ALA A 104 6.767 3.671 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 104 7.333 1.057 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.612 1.405 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.441 1.373 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.109 2.924 -3.066 1.00 0.00 H new ATOM 1565 N GLN A 105 8.746 2.085 0.383 1.00 0.00 N ATOM 1566 CA GLN A 105 9.210 2.659 1.635 1.00 0.00 C ATOM 1567 C GLN A 105 10.729 2.517 1.754 1.00 0.00 C ATOM 1568 O GLN A 105 11.256 1.406 1.714 1.00 0.00 O ATOM 1569 CB GLN A 105 8.503 2.015 2.829 1.00 0.00 C ATOM 1570 CG GLN A 105 9.081 2.528 4.150 1.00 0.00 C ATOM 1571 CD GLN A 105 8.667 1.627 5.316 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.721 0.411 5.243 1.00 0.00 O ATOM 1573 NE2 GLN A 105 8.252 2.291 6.391 1.00 0.00 N ATOM 0 H GLN A 105 9.000 1.107 0.242 1.00 0.00 H new ATOM 0 HA GLN A 105 8.963 3.721 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.436 2.233 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.609 0.931 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 105 10.168 2.567 4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.735 3.546 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.232 3.311 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.954 1.780 7.222 1.00 0.00 H new ATOM 1582 N THR A 106 11.389 3.656 1.898 1.00 0.00 N ATOM 1583 CA THR A 106 12.836 3.672 2.024 1.00 0.00 C ATOM 1584 C THR A 106 13.251 4.367 3.322 1.00 0.00 C ATOM 1585 O THR A 106 12.413 4.643 4.178 1.00 0.00 O ATOM 1586 CB THR A 106 13.412 4.333 0.770 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.501 5.390 0.484 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.328 3.426 -0.460 1.00 0.00 C ATOM 0 H THR A 106 10.948 4.575 1.930 1.00 0.00 H new ATOM 0 HA THR A 106 13.238 2.661 2.091 1.00 0.00 H new ATOM 0 HB THR A 106 14.452 4.607 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 106 13.002 6.210 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.750 3.942 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.889 2.510 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.285 3.179 -0.659 1.00 0.00 H new ATOM 1596 N ARG A 107 14.546 4.631 3.427 1.00 0.00 N ATOM 1597 CA ARG A 107 15.083 5.289 4.606 1.00 0.00 C ATOM 1598 C ARG A 107 14.721 6.775 4.595 1.00 0.00 C ATOM 1599 O ARG A 107 14.861 7.459 5.608 1.00 0.00 O ATOM 1600 CB ARG A 107 16.604 5.141 4.674 1.00 0.00 C ATOM 1601 CG ARG A 107 17.286 5.987 3.597 1.00 0.00 C ATOM 1602 CD ARG A 107 18.807 5.958 3.759 1.00 0.00 C ATOM 1603 NE ARG A 107 19.245 7.070 4.631 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.500 7.536 4.680 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.449 6.990 3.908 1.00 0.00 N ATOM 1606 NH2 ARG A 107 20.807 8.549 5.502 1.00 0.00 N ATOM 0 H ARG A 107 15.239 4.401 2.715 1.00 0.00 H new ATOM 0 HA ARG A 107 14.644 4.812 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.959 5.445 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.877 4.094 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.015 5.613 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.930 7.015 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.117 5.005 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.286 6.040 2.783 1.00 0.00 H new ATOM 0 HE ARG A 107 18.548 7.509 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.216 6.219 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.404 7.345 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.085 8.965 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.763 8.904 5.539 1.00 0.00 H new ATOM 1620 N LYS A 108 14.263 7.232 3.438 1.00 0.00 N ATOM 1621 CA LYS A 108 13.881 8.625 3.282 1.00 0.00 C ATOM 1622 C LYS A 108 12.393 8.780 3.603 1.00 0.00 C ATOM 1623 O LYS A 108 11.981 9.782 4.185 1.00 0.00 O ATOM 1624 CB LYS A 108 14.266 9.134 1.892 1.00 0.00 C ATOM 1625 CG LYS A 108 15.744 8.864 1.600 1.00 0.00 C ATOM 1626 CD LYS A 108 16.644 9.641 2.563 1.00 0.00 C ATOM 1627 CE LYS A 108 16.095 11.048 2.812 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.172 11.947 3.284 1.00 0.00 N ATOM 0 H LYS A 108 14.148 6.662 2.600 1.00 0.00 H new ATOM 0 HA LYS A 108 14.427 9.251 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.648 8.647 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.068 10.204 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.947 7.797 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.973 9.148 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.720 9.104 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.651 9.707 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.659 11.443 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.296 11.008 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.784 12.898 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.569 11.577 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.921 11.999 2.564 1.00 0.00 H new ATOM 1642 N GLY A 109 11.627 7.773 3.210 1.00 0.00 N ATOM 1643 CA GLY A 109 10.194 7.784 3.448 1.00 0.00 C ATOM 1644 C GLY A 109 9.447 7.044 2.337 1.00 0.00 C ATOM 1645 O GLY A 109 9.791 5.912 2.001 1.00 0.00 O ATOM 0 H GLY A 109 11.972 6.943 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.978 7.318 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.840 8.813 3.506 1.00 0.00 H new ATOM 1649 N TRP A 110 8.439 7.714 1.797 1.00 0.00 N ATOM 1650 CA TRP A 110 7.641 7.134 0.731 1.00 0.00 C ATOM 1651 C TRP A 110 7.795 8.018 -0.509 1.00 0.00 C ATOM 1652 O TRP A 110 7.388 9.179 -0.502 1.00 0.00 O ATOM 1653 CB TRP A 110 6.184 6.964 1.167 1.00 0.00 C ATOM 1654 CG TRP A 110 5.988 5.955 2.300 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.063 6.172 3.620 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.678 4.553 2.158 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.825 5.017 4.337 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.584 4.001 3.420 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.484 3.776 1.002 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.293 2.650 3.646 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.194 2.428 1.245 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.096 1.857 2.509 1.00 0.00 C ATOM 0 H TRP A 110 8.157 8.653 2.078 1.00 0.00 H new ATOM 0 HA TRP A 110 7.991 6.131 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.795 7.932 1.484 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.592 6.649 0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.282 7.130 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.826 4.926 5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.553 4.187 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.224 2.242 4.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.035 1.787 0.391 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.869 0.806 2.613 1.00 0.00 H new ATOM 1673 N GLY A 111 8.383 7.434 -1.543 1.00 0.00 N ATOM 1674 CA GLY A 111 8.595 8.154 -2.787 1.00 0.00 C ATOM 1675 C GLY A 111 7.296 8.259 -3.588 1.00 0.00 C ATOM 1676 O GLY A 111 6.207 8.232 -3.018 1.00 0.00 O ATOM 0 H GLY A 111 8.719 6.471 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.976 9.153 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.353 7.644 -3.382 1.00 0.00 H new ATOM 1680 N GLU A 112 7.454 8.376 -4.899 1.00 0.00 N ATOM 1681 CA GLU A 112 6.308 8.485 -5.784 1.00 0.00 C ATOM 1682 C GLU A 112 5.335 7.330 -5.537 1.00 0.00 C ATOM 1683 O GLU A 112 5.664 6.376 -4.835 1.00 0.00 O ATOM 1684 CB GLU A 112 6.748 8.527 -7.249 1.00 0.00 C ATOM 1685 CG GLU A 112 6.355 9.854 -7.902 1.00 0.00 C ATOM 1686 CD GLU A 112 7.554 10.498 -8.600 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.420 11.026 -7.869 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.578 10.448 -9.849 1.00 0.00 O ATOM 0 H GLU A 112 8.359 8.398 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 112 5.794 9.421 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.828 8.392 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.291 7.700 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.557 9.685 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.962 10.533 -7.146 1.00 0.00 H new ATOM 1695 N ALA A 113 4.156 7.455 -6.129 1.00 0.00 N ATOM 1696 CA ALA A 113 3.133 6.434 -5.982 1.00 0.00 C ATOM 1697 C ALA A 113 2.461 6.193 -7.335 1.00 0.00 C ATOM 1698 O ALA A 113 2.110 7.141 -8.036 1.00 0.00 O ATOM 1699 CB ALA A 113 2.135 6.862 -4.904 1.00 0.00 C ATOM 0 H ALA A 113 3.887 8.248 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 113 3.576 5.491 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.368 6.096 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.657 6.992 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.669 7.804 -5.193 1.00 0.00 H new ATOM 1705 N ALA A 114 2.302 4.919 -7.662 1.00 0.00 N ATOM 1706 CA ALA A 114 1.678 4.541 -8.919 1.00 0.00 C ATOM 1707 C ALA A 114 0.187 4.290 -8.688 1.00 0.00 C ATOM 1708 O ALA A 114 -0.186 3.404 -7.921 1.00 0.00 O ATOM 1709 CB ALA A 114 2.393 3.317 -9.495 1.00 0.00 C ATOM 0 H ALA A 114 2.594 4.135 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 114 1.767 5.345 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.926 3.033 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.442 3.556 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.321 2.489 -8.790 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.626 5.086 -9.366 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.069 4.962 -9.245 1.00 0.00 C ATOM 1717 C GLU A 115 -2.625 4.101 -10.381 1.00 0.00 C ATOM 1718 O GLU A 115 -2.343 4.354 -11.552 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.738 6.338 -9.222 1.00 0.00 C ATOM 1720 CG GLU A 115 -3.051 6.771 -7.788 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.975 7.991 -7.774 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.069 8.644 -8.835 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.566 8.242 -6.701 1.00 0.00 O ATOM 0 H GLU A 115 -0.313 5.820 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.293 4.470 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.084 7.072 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.658 6.309 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.521 5.948 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.124 7.006 -7.265 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.405 3.102 -9.996 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.003 2.202 -10.968 1.00 0.00 C ATOM 1732 C ALA A 116 -5.458 1.932 -10.579 1.00 0.00 C ATOM 1733 O ALA A 116 -5.736 1.513 -9.456 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.174 0.919 -11.054 1.00 0.00 C ATOM 0 H ALA A 116 -3.637 2.896 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.006 2.655 -11.960 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.623 0.244 -11.783 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.157 1.163 -11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.151 0.435 -10.078 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.347 2.183 -11.528 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.767 1.972 -11.298 1.00 0.00 C ATOM 1742 C LEU A 117 -8.148 0.562 -11.754 1.00 0.00 C ATOM 1743 O LEU A 117 -7.592 0.046 -12.722 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.588 3.077 -11.965 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.572 4.438 -11.267 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.334 5.567 -12.271 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.852 4.653 -10.457 1.00 0.00 C ATOM 0 H LEU A 117 -6.112 2.530 -12.458 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.995 2.036 -10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.223 3.209 -12.984 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.622 2.740 -12.038 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.739 4.451 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.327 6.523 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.375 5.417 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.130 5.566 -13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.815 5.628 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.715 4.611 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.939 3.873 -9.700 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.095 -0.022 -11.034 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.558 -1.362 -11.352 1.00 0.00 C ATOM 1761 C VAL A 118 -11.017 -1.510 -10.917 1.00 0.00 C ATOM 1762 O VAL A 118 -11.353 -1.255 -9.761 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.635 -2.400 -10.712 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.564 -2.209 -9.195 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.079 -3.821 -11.065 1.00 0.00 C ATOM 0 H VAL A 118 -9.554 0.409 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.521 -1.533 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.634 -2.252 -11.116 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.901 -2.960 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.179 -1.214 -8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.561 -2.317 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.406 -4.539 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.094 -3.986 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.054 -3.952 -12.147 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.846 -1.922 -11.865 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.261 -2.106 -11.594 1.00 0.00 C ATOM 1777 C VAL A 119 -13.492 -3.518 -11.050 1.00 0.00 C ATOM 1778 O VAL A 119 -12.740 -4.439 -11.366 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.078 -1.810 -12.853 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.438 -2.511 -12.802 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.246 -0.303 -13.056 1.00 0.00 C ATOM 0 H VAL A 119 -11.564 -2.134 -12.822 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.598 -1.404 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.529 -2.204 -13.708 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.999 -2.284 -13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.289 -3.588 -12.727 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.996 -2.161 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.830 -0.120 -13.958 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.762 0.125 -12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.265 0.162 -13.159 1.00 0.00 H new ATOM 1791 N THR A 120 -14.535 -3.643 -10.243 1.00 0.00 N ATOM 1792 CA THR A 120 -14.874 -4.927 -9.652 1.00 0.00 C ATOM 1793 C THR A 120 -15.996 -5.599 -10.445 1.00 0.00 C ATOM 1794 O THR A 120 -17.138 -5.142 -10.421 1.00 0.00 O ATOM 1795 CB THR A 120 -15.224 -4.693 -8.182 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.992 -3.492 -8.194 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.998 -4.342 -7.336 1.00 0.00 C ATOM 0 H THR A 120 -15.157 -2.877 -9.984 1.00 0.00 H new ATOM 0 HA THR A 120 -14.031 -5.617 -9.694 1.00 0.00 H new ATOM 0 HB THR A 120 -15.701 -5.585 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.191 -3.222 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.303 -4.186 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.278 -5.159 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.539 -3.431 -7.720 1.00 0.00 H new ATOM 1805 N THR A 121 -15.633 -6.674 -11.130 1.00 0.00 N ATOM 1806 CA THR A 121 -16.595 -7.413 -11.929 1.00 0.00 C ATOM 1807 C THR A 121 -15.929 -8.628 -12.576 1.00 0.00 C ATOM 1808 O THR A 121 -14.709 -8.775 -12.520 1.00 0.00 O ATOM 1809 CB THR A 121 -17.211 -6.446 -12.942 1.00 0.00 C ATOM 1810 OG1 THR A 121 -17.969 -7.287 -13.808 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.163 -5.813 -13.859 1.00 0.00 C ATOM 0 H THR A 121 -14.685 -7.051 -11.148 1.00 0.00 H new ATOM 0 HA THR A 121 -17.398 -7.813 -11.311 1.00 0.00 H new ATOM 0 HB THR A 121 -17.751 -5.661 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.405 -6.741 -14.495 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.653 -5.136 -14.558 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.443 -5.257 -13.259 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.645 -6.595 -14.414 1.00 0.00 H new ATOM 1819 N GLU A 122 -16.759 -9.469 -13.176 1.00 0.00 N ATOM 1820 CA GLU A 122 -16.266 -10.667 -13.834 1.00 0.00 C ATOM 1821 C GLU A 122 -16.050 -10.403 -15.325 1.00 0.00 C ATOM 1822 O GLU A 122 -15.005 -10.747 -15.875 1.00 0.00 O ATOM 1823 CB GLU A 122 -17.220 -11.843 -13.618 1.00 0.00 C ATOM 1824 CG GLU A 122 -17.282 -12.234 -12.140 1.00 0.00 C ATOM 1825 CD GLU A 122 -18.219 -13.425 -11.926 1.00 0.00 C ATOM 1826 OE1 GLU A 122 -18.185 -14.334 -12.784 1.00 0.00 O ATOM 1827 OE2 GLU A 122 -18.947 -13.400 -10.911 1.00 0.00 O ATOM 0 H GLU A 122 -17.770 -9.344 -13.220 1.00 0.00 H new ATOM 0 HA GLU A 122 -15.307 -10.933 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -18.217 -11.577 -13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -16.891 -12.697 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -16.283 -12.485 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -17.627 -11.385 -11.550 1.00 0.00 H new ATOM 1834 N LYS A 123 -17.055 -9.795 -15.938 1.00 0.00 N ATOM 1835 CA LYS A 123 -16.989 -9.481 -17.355 1.00 0.00 C ATOM 1836 C LYS A 123 -16.294 -10.626 -18.094 1.00 0.00 C ATOM 1837 O LYS A 123 -16.288 -11.761 -17.621 1.00 0.00 O ATOM 1838 CB LYS A 123 -16.327 -8.118 -17.571 1.00 0.00 C ATOM 1839 CG LYS A 123 -14.805 -8.222 -17.450 1.00 0.00 C ATOM 1840 CD LYS A 123 -14.111 -7.310 -18.463 1.00 0.00 C ATOM 1841 CE LYS A 123 -12.988 -6.510 -17.800 1.00 0.00 C ATOM 1842 NZ LYS A 123 -12.307 -5.650 -18.794 1.00 0.00 N ATOM 0 H LYS A 123 -17.920 -9.511 -15.479 1.00 0.00 H new ATOM 0 HA LYS A 123 -17.992 -9.393 -17.773 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -16.592 -7.733 -18.556 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.706 -7.406 -16.838 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.497 -7.950 -16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.493 -9.254 -17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.704 -7.909 -19.278 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -14.839 -6.627 -18.902 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.396 -5.895 -16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.268 -7.191 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.548 -5.114 -18.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.901 -6.243 -19.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.994 -4.988 -19.209 1.00 0.00 H new ATOM 1856 N ARG A 124 -15.727 -10.288 -19.243 1.00 0.00 N ATOM 1857 CA ARG A 124 -15.032 -11.274 -20.053 1.00 0.00 C ATOM 1858 C ARG A 124 -14.097 -10.582 -21.047 1.00 0.00 C ATOM 1859 O ARG A 124 -12.879 -10.734 -20.969 1.00 0.00 O ATOM 1860 CB ARG A 124 -16.021 -12.153 -20.821 1.00 0.00 C ATOM 1861 CG ARG A 124 -15.979 -13.597 -20.315 1.00 0.00 C ATOM 1862 CD ARG A 124 -14.917 -14.408 -21.059 1.00 0.00 C ATOM 1863 NE ARG A 124 -15.381 -15.801 -21.244 1.00 0.00 N ATOM 1864 CZ ARG A 124 -14.569 -16.836 -21.497 1.00 0.00 C ATOM 1865 NH1 ARG A 124 -13.247 -16.642 -21.597 1.00 0.00 N ATOM 1866 NH2 ARG A 124 -15.079 -18.066 -21.650 1.00 0.00 N ATOM 0 H ARG A 124 -15.735 -9.345 -19.632 1.00 0.00 H new ATOM 0 HA ARG A 124 -14.450 -11.904 -19.380 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.029 -11.754 -20.710 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -15.784 -12.130 -21.885 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -15.765 -13.605 -19.246 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.956 -14.061 -20.449 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -14.712 -13.952 -22.028 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -13.982 -14.399 -20.499 1.00 0.00 H new ATOM 0 HE ARG A 124 -16.382 -15.985 -21.175 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.859 -15.706 -21.480 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.629 -17.430 -21.790 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -16.085 -18.214 -21.574 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.461 -18.854 -21.843 1.00 0.00 H new ATOM 1880 N SER A 125 -14.704 -9.834 -21.958 1.00 0.00 N ATOM 1881 CA SER A 125 -13.941 -9.118 -22.966 1.00 0.00 C ATOM 1882 C SER A 125 -14.278 -7.626 -22.914 1.00 0.00 C ATOM 1883 O SER A 125 -15.205 -7.219 -22.216 1.00 0.00 O ATOM 1884 CB SER A 125 -14.216 -9.675 -24.364 1.00 0.00 C ATOM 1885 OG SER A 125 -13.168 -10.531 -24.812 1.00 0.00 O ATOM 0 H SER A 125 -15.714 -9.709 -22.019 1.00 0.00 H new ATOM 0 HA SER A 125 -12.881 -9.253 -22.753 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.156 -10.226 -24.356 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.336 -8.850 -25.066 1.00 0.00 H new ATOM 0 HG SER A 125 -13.381 -10.868 -25.707 1.00 0.00 H new ATOM 1891 N GLY A 126 -13.505 -6.851 -23.661 1.00 0.00 N ATOM 1892 CA GLY A 126 -13.710 -5.414 -23.709 1.00 0.00 C ATOM 1893 C GLY A 126 -13.714 -4.908 -25.153 1.00 0.00 C ATOM 1894 O GLY A 126 -12.656 -4.668 -25.734 1.00 0.00 O ATOM 0 H GLY A 126 -12.736 -7.192 -24.238 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.656 -5.162 -23.229 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.923 -4.912 -23.146 1.00 0.00 H new ATOM 1898 N PRO A 127 -14.947 -4.758 -25.706 1.00 0.00 N ATOM 1899 CA PRO A 127 -15.103 -4.285 -27.071 1.00 0.00 C ATOM 1900 C PRO A 127 -14.840 -2.781 -27.164 1.00 0.00 C ATOM 1901 O PRO A 127 -14.532 -2.138 -26.162 1.00 0.00 O ATOM 1902 CB PRO A 127 -16.523 -4.665 -27.459 1.00 0.00 C ATOM 1903 CG PRO A 127 -17.259 -4.916 -26.153 1.00 0.00 C ATOM 1904 CD PRO A 127 -16.221 -5.033 -25.049 1.00 0.00 C ATOM 0 HA PRO A 127 -14.383 -4.733 -27.756 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -16.999 -3.867 -28.028 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -16.531 -5.554 -28.089 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -17.951 -4.101 -25.942 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -17.852 -5.828 -26.218 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -16.414 -4.321 -24.247 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -16.229 -6.027 -24.602 1.00 0.00 H new ATOM 1912 N SER A 128 -14.972 -2.264 -28.377 1.00 0.00 N ATOM 1913 CA SER A 128 -14.752 -0.847 -28.614 1.00 0.00 C ATOM 1914 C SER A 128 -15.871 -0.283 -29.491 1.00 0.00 C ATOM 1915 O SER A 128 -16.304 -0.930 -30.444 1.00 0.00 O ATOM 1916 CB SER A 128 -13.391 -0.602 -29.268 1.00 0.00 C ATOM 1917 OG SER A 128 -13.049 0.781 -29.289 1.00 0.00 O ATOM 0 H SER A 128 -15.228 -2.801 -29.206 1.00 0.00 H new ATOM 0 HA SER A 128 -14.760 -0.335 -27.652 1.00 0.00 H new ATOM 0 HB2 SER A 128 -12.624 -1.157 -28.727 1.00 0.00 H new ATOM 0 HB3 SER A 128 -13.404 -0.988 -30.287 1.00 0.00 H new ATOM 0 HG SER A 128 -12.173 0.895 -29.713 1.00 0.00 H new ATOM 1923 N SER A 129 -16.309 0.917 -29.139 1.00 0.00 N ATOM 1924 CA SER A 129 -17.370 1.575 -29.882 1.00 0.00 C ATOM 1925 C SER A 129 -16.782 2.671 -30.773 1.00 0.00 C ATOM 1926 O SER A 129 -15.721 3.217 -30.474 1.00 0.00 O ATOM 1927 CB SER A 129 -18.420 2.164 -28.938 1.00 0.00 C ATOM 1928 OG SER A 129 -19.747 1.888 -29.377 1.00 0.00 O ATOM 0 H SER A 129 -15.948 1.451 -28.348 1.00 0.00 H new ATOM 0 HA SER A 129 -17.862 0.831 -30.509 1.00 0.00 H new ATOM 0 HB2 SER A 129 -18.277 1.756 -27.937 1.00 0.00 H new ATOM 0 HB3 SER A 129 -18.279 3.242 -28.866 1.00 0.00 H new ATOM 0 HG SER A 129 -20.388 2.279 -28.747 1.00 0.00 H new ATOM 1934 N GLY A 130 -17.497 2.960 -31.851 1.00 0.00 N ATOM 1935 CA GLY A 130 -17.060 3.981 -32.787 1.00 0.00 C ATOM 1936 C GLY A 130 -17.996 4.054 -33.995 1.00 0.00 C ATOM 1937 O GLY A 130 -19.214 4.125 -33.838 1.00 0.00 O ATOM 0 H GLY A 130 -18.376 2.504 -32.096 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -17.030 4.949 -32.287 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -16.046 3.763 -33.121 1.00 0.00 H new TER 1941 GLY A 130