USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 647 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 Single : A 1 GLY N :NH3+ -126:sc= 0.0954 (180deg=0) USER MOD Single : A 2 SER OG : rot -13:sc= 0.827 USER MOD Single : A 3 SER OG : rot 28:sc= 0.034 USER MOD Single : A 5 SER OG : rot 32:sc= 0.814 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 22:sc= 0.0944 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.229 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.76 K(o=-1.8,f=-6.1!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.202 (180deg=-0.969) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= 1.32 (180deg=0.0767) USER MOD Single : A 41 TYR OH : rot 165:sc= 0.174 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.91! C(o=-1.9!,f=-4.1!) USER MOD Single : A 60 GLN : amide:sc= -4.61! C(o=-4.6!,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 165:sc= -1.55 USER MOD Single : A 66 GLN : amide:sc= -1.7! C(o=-1.7!,f=-4.1!) USER MOD Single : A 67 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 70 MET CE :methyl -178:sc= 0 (180deg=-0.00407) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= -0.0155 (180deg=-0.0908) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.192 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.127 11.756 -39.741 1.00 0.00 N ATOM 2 CA GLY A 1 -26.236 12.439 -38.465 1.00 0.00 C ATOM 3 C GLY A 1 -26.868 11.572 -37.395 1.00 0.00 C ATOM 4 O GLY A 1 -27.153 10.397 -37.626 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.142 11.793 -40.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.418 10.764 -39.630 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.743 12.222 -40.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.244 12.750 -38.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.829 13.345 -38.591 1.00 0.00 H new ATOM 8 N SER A 2 -27.088 12.152 -36.219 1.00 0.00 N ATOM 9 CA SER A 2 -27.686 11.422 -35.107 1.00 0.00 C ATOM 10 C SER A 2 -28.278 12.385 -34.082 1.00 0.00 C ATOM 11 O SER A 2 -28.178 13.603 -34.228 1.00 0.00 O ATOM 12 CB SER A 2 -26.643 10.525 -34.438 1.00 0.00 C ATOM 13 OG SER A 2 -26.159 9.546 -35.341 1.00 0.00 O ATOM 0 H SER A 2 -26.861 13.125 -36.012 1.00 0.00 H new ATOM 0 HA SER A 2 -28.489 10.800 -35.502 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.814 11.133 -34.077 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.083 10.037 -33.568 1.00 0.00 H new ATOM 0 HG SER A 2 -26.741 9.511 -36.128 1.00 0.00 H new ATOM 19 N SER A 3 -28.896 11.828 -33.045 1.00 0.00 N ATOM 20 CA SER A 3 -29.508 12.636 -31.996 1.00 0.00 C ATOM 21 C SER A 3 -29.390 11.946 -30.641 1.00 0.00 C ATOM 22 O SER A 3 -28.889 10.827 -30.542 1.00 0.00 O ATOM 23 CB SER A 3 -30.979 12.901 -32.321 1.00 0.00 C ATOM 24 OG SER A 3 -31.126 14.073 -33.102 1.00 0.00 O ATOM 0 H SER A 3 -28.986 10.821 -32.909 1.00 0.00 H new ATOM 0 HA SER A 3 -28.978 13.587 -31.947 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.395 12.048 -32.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.546 13.003 -31.396 1.00 0.00 H new ATOM 0 HG SER A 3 -30.314 14.218 -33.631 1.00 0.00 H new ATOM 30 N GLY A 4 -29.857 12.624 -29.596 1.00 0.00 N ATOM 31 CA GLY A 4 -29.796 12.062 -28.260 1.00 0.00 C ATOM 32 C GLY A 4 -30.715 12.775 -27.288 1.00 0.00 C ATOM 33 O GLY A 4 -31.502 13.634 -27.684 1.00 0.00 O ATOM 0 H GLY A 4 -30.276 13.552 -29.652 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.064 11.006 -28.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.771 12.117 -27.893 1.00 0.00 H new ATOM 37 N SER A 5 -30.615 12.418 -26.011 1.00 0.00 N ATOM 38 CA SER A 5 -31.448 13.026 -24.980 1.00 0.00 C ATOM 39 C SER A 5 -30.833 12.828 -23.598 1.00 0.00 C ATOM 40 O SER A 5 -29.842 12.115 -23.444 1.00 0.00 O ATOM 41 CB SER A 5 -32.856 12.430 -25.015 1.00 0.00 C ATOM 42 OG SER A 5 -33.667 13.091 -25.971 1.00 0.00 O ATOM 0 H SER A 5 -29.966 11.711 -25.666 1.00 0.00 H new ATOM 0 HA SER A 5 -31.509 14.096 -25.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.799 11.368 -25.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.313 12.510 -24.029 1.00 0.00 H new ATOM 0 HG SER A 5 -33.110 13.398 -26.717 1.00 0.00 H new ATOM 48 N SER A 6 -31.430 13.465 -22.595 1.00 0.00 N ATOM 49 CA SER A 6 -30.940 13.363 -21.226 1.00 0.00 C ATOM 50 C SER A 6 -31.952 13.940 -20.242 1.00 0.00 C ATOM 51 O SER A 6 -32.997 14.454 -20.639 1.00 0.00 O ATOM 52 CB SER A 6 -29.602 14.091 -21.085 1.00 0.00 C ATOM 53 OG SER A 6 -29.691 15.420 -21.570 1.00 0.00 O ATOM 0 H SER A 6 -32.253 14.057 -22.705 1.00 0.00 H new ATOM 0 HA SER A 6 -30.797 12.307 -20.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.299 14.102 -20.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.831 13.551 -21.634 1.00 0.00 H new ATOM 0 HG SER A 6 -28.824 15.865 -21.467 1.00 0.00 H new ATOM 59 N GLY A 7 -31.634 13.852 -18.954 1.00 0.00 N ATOM 60 CA GLY A 7 -32.525 14.369 -17.932 1.00 0.00 C ATOM 61 C GLY A 7 -31.786 14.789 -16.677 1.00 0.00 C ATOM 62 O GLY A 7 -30.595 15.092 -16.721 1.00 0.00 O ATOM 0 H GLY A 7 -30.775 13.432 -18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.073 15.223 -18.330 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.262 13.607 -17.678 1.00 0.00 H new ATOM 66 N GLY A 8 -32.496 14.809 -15.552 1.00 0.00 N ATOM 67 CA GLY A 8 -31.884 15.199 -14.296 1.00 0.00 C ATOM 68 C GLY A 8 -32.903 15.399 -13.192 1.00 0.00 C ATOM 69 O GLY A 8 -34.107 15.291 -13.424 1.00 0.00 O ATOM 0 H GLY A 8 -33.484 14.562 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -31.168 14.435 -13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -31.323 16.122 -14.440 1.00 0.00 H new ATOM 73 N GLU A 9 -32.420 15.691 -11.988 1.00 0.00 N ATOM 74 CA GLU A 9 -33.299 15.905 -10.845 1.00 0.00 C ATOM 75 C GLU A 9 -32.507 16.383 -9.631 1.00 0.00 C ATOM 76 O GLU A 9 -31.351 16.013 -9.428 1.00 0.00 O ATOM 77 CB GLU A 9 -34.049 14.616 -10.502 1.00 0.00 C ATOM 78 CG GLU A 9 -33.137 13.468 -10.104 1.00 0.00 C ATOM 79 CD GLU A 9 -32.851 13.440 -8.615 1.00 0.00 C ATOM 80 OE1 GLU A 9 -33.818 13.426 -7.824 1.00 0.00 O ATOM 81 OE2 GLU A 9 -31.659 13.431 -8.240 1.00 0.00 O ATOM 0 H GLU A 9 -31.426 15.785 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 9 -34.020 16.677 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -34.744 14.816 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -34.646 14.313 -11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.596 12.525 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.197 13.550 -10.649 1.00 0.00 H new ATOM 88 N PRO A 10 -33.143 17.227 -8.805 1.00 0.00 N ATOM 89 CA PRO A 10 -32.517 17.774 -7.598 1.00 0.00 C ATOM 90 C PRO A 10 -32.314 16.716 -6.519 1.00 0.00 C ATOM 91 O PRO A 10 -32.519 15.526 -6.756 1.00 0.00 O ATOM 92 CB PRO A 10 -33.519 18.832 -7.127 1.00 0.00 C ATOM 93 CG PRO A 10 -34.830 18.382 -7.676 1.00 0.00 C ATOM 94 CD PRO A 10 -34.522 17.711 -8.985 1.00 0.00 C ATOM 0 HA PRO A 10 -31.521 18.169 -7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -33.546 18.895 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -33.253 19.822 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.324 17.693 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -35.504 19.227 -7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -35.212 16.892 -9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -34.598 18.407 -9.821 1.00 0.00 H new ATOM 102 N GLY A 11 -31.910 17.157 -5.331 1.00 0.00 N ATOM 103 CA GLY A 11 -31.687 16.235 -4.234 1.00 0.00 C ATOM 104 C GLY A 11 -31.005 16.894 -3.052 1.00 0.00 C ATOM 105 O GLY A 11 -30.964 18.121 -2.953 1.00 0.00 O ATOM 0 H GLY A 11 -31.733 18.137 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.642 15.819 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -31.078 15.401 -4.583 1.00 0.00 H new ATOM 109 N THR A 12 -30.469 16.079 -2.149 1.00 0.00 N ATOM 110 CA THR A 12 -29.788 16.590 -0.966 1.00 0.00 C ATOM 111 C THR A 12 -28.753 15.594 -0.454 1.00 0.00 C ATOM 112 O THR A 12 -29.015 14.394 -0.380 1.00 0.00 O ATOM 113 CB THR A 12 -30.786 16.904 0.165 1.00 0.00 C ATOM 114 OG1 THR A 12 -30.111 17.553 1.248 1.00 0.00 O ATOM 115 CG2 THR A 12 -31.453 15.632 0.666 1.00 0.00 C ATOM 0 H THR A 12 -30.493 15.061 -2.215 1.00 0.00 H new ATOM 0 HA THR A 12 -29.286 17.511 -1.263 1.00 0.00 H new ATOM 0 HB THR A 12 -31.555 17.567 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 12 -30.753 17.751 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 12 -32.153 15.878 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 12 -31.990 15.156 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 12 -30.694 14.949 1.047 1.00 0.00 H new ATOM 123 N LYS A 13 -27.577 16.100 -0.099 1.00 0.00 N ATOM 124 CA LYS A 13 -26.502 15.256 0.409 1.00 0.00 C ATOM 125 C LYS A 13 -25.356 16.103 0.952 1.00 0.00 C ATOM 126 O LYS A 13 -24.796 16.936 0.241 1.00 0.00 O ATOM 127 CB LYS A 13 -25.987 14.330 -0.696 1.00 0.00 C ATOM 128 CG LYS A 13 -25.355 15.069 -1.863 1.00 0.00 C ATOM 129 CD LYS A 13 -24.988 14.120 -2.991 1.00 0.00 C ATOM 130 CE LYS A 13 -24.593 14.876 -4.250 1.00 0.00 C ATOM 131 NZ LYS A 13 -25.783 15.354 -5.007 1.00 0.00 N ATOM 0 H LYS A 13 -27.344 17.092 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 13 -26.902 14.652 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -25.254 13.644 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -26.814 13.724 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -26.047 15.825 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -24.462 15.593 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.164 13.480 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.833 13.467 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.968 15.727 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.992 14.229 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.471 15.864 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -26.367 14.540 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -26.343 15.992 -4.406 1.00 0.00 H new ATOM 145 N ALA A 14 -25.011 15.882 2.217 1.00 0.00 N ATOM 146 CA ALA A 14 -23.929 16.622 2.854 1.00 0.00 C ATOM 147 C ALA A 14 -22.596 16.346 2.167 1.00 0.00 C ATOM 148 O ALA A 14 -21.913 17.268 1.720 1.00 0.00 O ATOM 149 CB ALA A 14 -23.847 16.269 4.332 1.00 0.00 C ATOM 0 H ALA A 14 -25.465 15.196 2.820 1.00 0.00 H new ATOM 0 HA ALA A 14 -24.144 17.686 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -23.035 16.829 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -24.788 16.524 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -23.660 15.201 4.441 1.00 0.00 H new ATOM 155 N LYS A 15 -22.230 15.072 2.086 1.00 0.00 N ATOM 156 CA LYS A 15 -20.979 14.673 1.453 1.00 0.00 C ATOM 157 C LYS A 15 -21.078 14.781 -0.065 1.00 0.00 C ATOM 158 O LYS A 15 -21.758 13.983 -0.711 1.00 0.00 O ATOM 159 CB LYS A 15 -20.616 13.240 1.851 1.00 0.00 C ATOM 160 CG LYS A 15 -19.766 13.154 3.106 1.00 0.00 C ATOM 161 CD LYS A 15 -20.519 13.657 4.326 1.00 0.00 C ATOM 162 CE LYS A 15 -20.311 15.149 4.533 1.00 0.00 C ATOM 163 NZ LYS A 15 -20.673 15.573 5.914 1.00 0.00 N ATOM 0 H LYS A 15 -22.783 14.297 2.451 1.00 0.00 H new ATOM 0 HA LYS A 15 -20.196 15.348 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.533 12.671 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -20.081 12.767 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.458 12.121 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.857 13.740 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.583 13.450 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.184 13.116 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.269 15.401 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.914 15.703 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.517 16.596 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.674 15.356 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.081 15.063 6.600 1.00 0.00 H new ATOM 177 N LYS A 16 -20.396 15.771 -0.629 1.00 0.00 N ATOM 178 CA LYS A 16 -20.405 15.983 -2.072 1.00 0.00 C ATOM 179 C LYS A 16 -19.188 15.334 -2.724 1.00 0.00 C ATOM 180 O LYS A 16 -18.105 15.298 -2.143 1.00 0.00 O ATOM 181 CB LYS A 16 -20.428 17.480 -2.388 1.00 0.00 C ATOM 182 CG LYS A 16 -20.609 17.786 -3.865 1.00 0.00 C ATOM 183 CD LYS A 16 -20.362 19.256 -4.164 1.00 0.00 C ATOM 184 CE LYS A 16 -21.637 20.074 -4.030 1.00 0.00 C ATOM 185 NZ LYS A 16 -21.352 21.531 -3.918 1.00 0.00 N ATOM 0 H LYS A 16 -19.829 16.440 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 16 -21.304 15.519 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -21.236 17.949 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.497 17.930 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.923 17.174 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.619 17.516 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.606 19.645 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.965 19.361 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.276 19.894 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.190 19.743 -3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.247 22.054 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.763 21.706 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.847 21.852 -4.768 1.00 0.00 H new ATOM 199 N GLY A 17 -19.375 14.822 -3.937 1.00 0.00 N ATOM 200 CA GLY A 17 -18.284 14.182 -4.649 1.00 0.00 C ATOM 201 C GLY A 17 -17.610 13.102 -3.826 1.00 0.00 C ATOM 202 O GLY A 17 -16.591 13.350 -3.180 1.00 0.00 O ATOM 0 H GLY A 17 -20.263 14.839 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.663 13.747 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -17.547 14.934 -4.930 1.00 0.00 H new ATOM 206 N ARG A 18 -18.179 11.902 -3.848 1.00 0.00 N ATOM 207 CA ARG A 18 -17.627 10.781 -3.096 1.00 0.00 C ATOM 208 C ARG A 18 -17.483 9.549 -3.985 1.00 0.00 C ATOM 209 O ARG A 18 -18.475 8.934 -4.376 1.00 0.00 O ATOM 210 CB ARG A 18 -18.519 10.456 -1.897 1.00 0.00 C ATOM 211 CG ARG A 18 -18.232 11.312 -0.674 1.00 0.00 C ATOM 212 CD ARG A 18 -16.914 10.927 -0.022 1.00 0.00 C ATOM 213 NE ARG A 18 -16.979 9.613 0.611 1.00 0.00 N ATOM 214 CZ ARG A 18 -17.525 9.397 1.802 1.00 0.00 C ATOM 215 NH1 ARG A 18 -18.050 10.403 2.487 1.00 0.00 N ATOM 216 NH2 ARG A 18 -17.546 8.171 2.311 1.00 0.00 N ATOM 0 H ARG A 18 -19.022 11.680 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.638 11.067 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.562 10.587 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -18.391 9.406 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -18.203 12.363 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -19.042 11.202 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.124 10.929 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.646 11.676 0.724 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.583 8.817 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.035 11.346 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.469 10.234 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.143 7.394 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.966 8.006 3.226 1.00 0.00 H new ATOM 230 N ARG A 19 -16.241 9.194 -4.299 1.00 0.00 N ATOM 231 CA ARG A 19 -15.967 8.037 -5.142 1.00 0.00 C ATOM 232 C ARG A 19 -14.954 7.109 -4.479 1.00 0.00 C ATOM 233 O ARG A 19 -14.040 6.603 -5.130 1.00 0.00 O ATOM 234 CB ARG A 19 -15.444 8.487 -6.508 1.00 0.00 C ATOM 235 CG ARG A 19 -14.194 9.348 -6.428 1.00 0.00 C ATOM 236 CD ARG A 19 -13.962 10.115 -7.720 1.00 0.00 C ATOM 237 NE ARG A 19 -13.281 9.302 -8.725 1.00 0.00 N ATOM 238 CZ ARG A 19 -12.606 9.812 -9.748 1.00 0.00 C ATOM 239 NH1 ARG A 19 -12.521 11.126 -9.902 1.00 0.00 N ATOM 240 NH2 ARG A 19 -12.013 9.007 -10.621 1.00 0.00 N ATOM 0 H ARG A 19 -15.409 9.691 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.900 7.490 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.230 7.606 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.227 9.045 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.287 10.049 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.330 8.718 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.919 10.455 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.369 11.005 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.327 8.287 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.975 11.748 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.002 11.515 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.076 7.995 -10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.495 9.400 -11.407 1.00 0.00 H new ATOM 254 N SER A 20 -15.122 6.890 -3.178 1.00 0.00 N ATOM 255 CA SER A 20 -14.221 6.026 -2.425 1.00 0.00 C ATOM 256 C SER A 20 -14.986 4.879 -1.773 1.00 0.00 C ATOM 257 O SER A 20 -15.998 5.093 -1.105 1.00 0.00 O ATOM 258 CB SER A 20 -13.481 6.833 -1.357 1.00 0.00 C ATOM 259 OG SER A 20 -14.391 7.460 -0.469 1.00 0.00 O ATOM 0 H SER A 20 -15.874 7.299 -2.624 1.00 0.00 H new ATOM 0 HA SER A 20 -13.495 5.606 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.816 6.176 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.856 7.588 -1.835 1.00 0.00 H new ATOM 0 HG SER A 20 -15.250 6.989 -0.495 1.00 0.00 H new ATOM 265 N ARG A 21 -14.495 3.660 -1.972 1.00 0.00 N ATOM 266 CA ARG A 21 -15.132 2.478 -1.405 1.00 0.00 C ATOM 267 C ARG A 21 -14.123 1.634 -0.632 1.00 0.00 C ATOM 268 O ARG A 21 -13.311 0.921 -1.223 1.00 0.00 O ATOM 269 CB ARG A 21 -15.774 1.638 -2.511 1.00 0.00 C ATOM 270 CG ARG A 21 -16.661 0.520 -1.990 1.00 0.00 C ATOM 271 CD ARG A 21 -18.088 0.998 -1.767 1.00 0.00 C ATOM 272 NE ARG A 21 -19.044 -0.106 -1.784 1.00 0.00 N ATOM 273 CZ ARG A 21 -20.346 0.046 -1.567 1.00 0.00 C ATOM 274 NH1 ARG A 21 -20.843 1.249 -1.317 1.00 0.00 N ATOM 275 NH2 ARG A 21 -21.152 -1.007 -1.600 1.00 0.00 N ATOM 0 H ARG A 21 -13.658 3.465 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.907 2.810 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.366 2.290 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.988 1.207 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.660 -0.307 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.254 0.137 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.151 1.517 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.354 1.719 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.693 -1.045 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -20.226 2.061 -1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -21.843 1.363 -1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.772 -1.934 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.151 -0.890 -1.433 1.00 0.00 H new ATOM 289 N THR A 22 -14.179 1.720 0.693 1.00 0.00 N ATOM 290 CA THR A 22 -13.270 0.966 1.547 1.00 0.00 C ATOM 291 C THR A 22 -14.021 -0.083 2.359 1.00 0.00 C ATOM 292 O THR A 22 -14.989 0.230 3.053 1.00 0.00 O ATOM 293 CB THR A 22 -12.505 1.894 2.510 1.00 0.00 C ATOM 294 OG1 THR A 22 -13.427 2.594 3.352 1.00 0.00 O ATOM 295 CG2 THR A 22 -11.655 2.892 1.738 1.00 0.00 C ATOM 0 H THR A 22 -14.845 2.305 1.198 1.00 0.00 H new ATOM 0 HA THR A 22 -12.557 0.469 0.889 1.00 0.00 H new ATOM 0 HB THR A 22 -11.847 1.280 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.202 2.023 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.124 3.537 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.934 2.355 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.297 3.500 1.100 1.00 0.00 H new ATOM 303 N VAL A 23 -13.568 -1.330 2.270 1.00 0.00 N ATOM 304 CA VAL A 23 -14.196 -2.425 2.999 1.00 0.00 C ATOM 305 C VAL A 23 -13.367 -2.823 4.215 1.00 0.00 C ATOM 306 O VAL A 23 -13.250 -4.005 4.540 1.00 0.00 O ATOM 307 CB VAL A 23 -14.391 -3.659 2.098 1.00 0.00 C ATOM 308 CG1 VAL A 23 -15.607 -4.458 2.542 1.00 0.00 C ATOM 309 CG2 VAL A 23 -14.522 -3.240 0.642 1.00 0.00 C ATOM 0 H VAL A 23 -12.768 -1.606 1.700 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.171 -2.067 3.330 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.512 -4.297 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.729 -5.326 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.468 -4.790 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -16.497 -3.831 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.659 -4.124 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.382 -2.580 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.619 -2.715 0.332 1.00 0.00 H new ATOM 319 N PHE A 24 -12.794 -1.828 4.884 1.00 0.00 N ATOM 320 CA PHE A 24 -11.975 -2.074 6.066 1.00 0.00 C ATOM 321 C PHE A 24 -12.687 -1.601 7.329 1.00 0.00 C ATOM 322 O PHE A 24 -13.295 -0.530 7.350 1.00 0.00 O ATOM 323 CB PHE A 24 -10.625 -1.367 5.932 1.00 0.00 C ATOM 324 CG PHE A 24 -9.837 -1.801 4.729 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.017 -2.917 4.788 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.916 -1.094 3.540 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.291 -3.318 3.682 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.192 -1.491 2.432 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.379 -2.605 2.503 1.00 0.00 C ATOM 0 H PHE A 24 -12.881 -0.844 4.628 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.809 -3.148 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.791 -0.291 5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.035 -1.554 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.945 -3.479 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.551 -0.222 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.655 -4.189 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.262 -0.931 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.813 -2.918 1.638 1.00 0.00 H new ATOM 339 N THR A 25 -12.608 -2.407 8.383 1.00 0.00 N ATOM 340 CA THR A 25 -13.245 -2.073 9.651 1.00 0.00 C ATOM 341 C THR A 25 -12.342 -1.191 10.505 1.00 0.00 C ATOM 342 O THR A 25 -11.118 -1.252 10.396 1.00 0.00 O ATOM 343 CB THR A 25 -13.608 -3.340 10.448 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.458 -3.824 11.150 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.139 -4.427 9.525 1.00 0.00 C ATOM 0 H THR A 25 -12.109 -3.296 8.384 1.00 0.00 H new ATOM 0 HA THR A 25 -14.159 -1.529 9.412 1.00 0.00 H new ATOM 0 HB THR A 25 -14.388 -3.080 11.164 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.698 -4.629 11.655 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.388 -5.312 10.111 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.032 -4.066 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.378 -4.683 8.788 1.00 0.00 H new ATOM 353 N GLU A 26 -12.954 -0.372 11.354 1.00 0.00 N ATOM 354 CA GLU A 26 -12.203 0.523 12.227 1.00 0.00 C ATOM 355 C GLU A 26 -10.929 -0.150 12.730 1.00 0.00 C ATOM 356 O GLU A 26 -9.882 0.488 12.849 1.00 0.00 O ATOM 357 CB GLU A 26 -13.066 0.958 13.413 1.00 0.00 C ATOM 358 CG GLU A 26 -14.340 1.680 13.007 1.00 0.00 C ATOM 359 CD GLU A 26 -15.059 2.304 14.187 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.487 3.222 14.812 1.00 0.00 O ATOM 361 OE2 GLU A 26 -16.192 1.875 14.487 1.00 0.00 O ATOM 0 H GLU A 26 -13.967 -0.309 11.456 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.924 1.404 11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.329 0.079 14.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.479 1.611 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.097 2.457 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.008 0.977 12.509 1.00 0.00 H new ATOM 368 N LEU A 27 -11.027 -1.441 13.024 1.00 0.00 N ATOM 369 CA LEU A 27 -9.883 -2.202 13.516 1.00 0.00 C ATOM 370 C LEU A 27 -8.805 -2.319 12.443 1.00 0.00 C ATOM 371 O LEU A 27 -7.712 -1.773 12.587 1.00 0.00 O ATOM 372 CB LEU A 27 -10.327 -3.596 13.963 1.00 0.00 C ATOM 373 CG LEU A 27 -9.450 -4.275 15.015 1.00 0.00 C ATOM 374 CD1 LEU A 27 -9.839 -3.815 16.412 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.555 -5.788 14.902 1.00 0.00 C ATOM 0 H LEU A 27 -11.886 -1.983 12.931 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.464 -1.670 14.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.341 -3.524 14.356 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.371 -4.240 13.085 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.414 -3.989 14.835 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.204 -4.309 17.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.711 -2.735 16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.881 -4.071 16.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.924 -6.254 15.659 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.590 -6.093 15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.226 -6.103 13.912 1.00 0.00 H new ATOM 387 N GLN A 28 -9.123 -3.033 11.367 1.00 0.00 N ATOM 388 CA GLN A 28 -8.182 -3.219 10.269 1.00 0.00 C ATOM 389 C GLN A 28 -7.543 -1.893 9.869 1.00 0.00 C ATOM 390 O GLN A 28 -6.356 -1.837 9.546 1.00 0.00 O ATOM 391 CB GLN A 28 -8.888 -3.843 9.065 1.00 0.00 C ATOM 392 CG GLN A 28 -9.577 -5.162 9.379 1.00 0.00 C ATOM 393 CD GLN A 28 -10.459 -5.644 8.244 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.016 -4.844 7.492 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.591 -6.959 8.115 1.00 0.00 N ATOM 0 H GLN A 28 -10.024 -3.491 11.233 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.395 -3.892 10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.627 -3.139 8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.159 -4.003 8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.823 -5.919 9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.180 -5.047 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.111 -7.586 8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.172 -7.343 7.370 1.00 0.00 H new ATOM 404 N LEU A 29 -8.338 -0.829 9.890 1.00 0.00 N ATOM 405 CA LEU A 29 -7.850 0.497 9.529 1.00 0.00 C ATOM 406 C LEU A 29 -6.906 1.040 10.597 1.00 0.00 C ATOM 407 O LEU A 29 -5.884 1.650 10.283 1.00 0.00 O ATOM 408 CB LEU A 29 -9.024 1.458 9.335 1.00 0.00 C ATOM 409 CG LEU A 29 -9.830 1.282 8.047 1.00 0.00 C ATOM 410 CD1 LEU A 29 -11.052 2.187 8.054 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.960 1.567 6.831 1.00 0.00 C ATOM 0 H LEU A 29 -9.323 -0.859 10.153 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.299 0.411 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.701 1.348 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.641 2.478 9.364 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.170 0.248 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.613 2.048 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.686 1.936 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.734 3.227 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.549 1.437 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.590 2.591 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.116 0.877 6.818 1.00 0.00 H new ATOM 423 N MET A 30 -7.254 0.811 11.859 1.00 0.00 N ATOM 424 CA MET A 30 -6.434 1.275 12.973 1.00 0.00 C ATOM 425 C MET A 30 -5.059 0.616 12.947 1.00 0.00 C ATOM 426 O MET A 30 -4.051 1.249 13.261 1.00 0.00 O ATOM 427 CB MET A 30 -7.130 0.978 14.303 1.00 0.00 C ATOM 428 CG MET A 30 -6.311 1.379 15.519 1.00 0.00 C ATOM 429 SD MET A 30 -7.339 1.811 16.936 1.00 0.00 S ATOM 430 CE MET A 30 -7.130 0.358 17.962 1.00 0.00 C ATOM 0 H MET A 30 -8.097 0.308 12.136 1.00 0.00 H new ATOM 0 HA MET A 30 -6.303 2.352 12.872 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.085 1.503 14.329 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.350 -0.088 14.359 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.648 0.558 15.793 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.678 2.228 15.262 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.707 0.474 18.879 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.480 -0.522 17.422 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.076 0.236 18.210 1.00 0.00 H new ATOM 440 N GLY A 31 -5.024 -0.658 12.570 1.00 0.00 N ATOM 441 CA GLY A 31 -3.767 -1.381 12.510 1.00 0.00 C ATOM 442 C GLY A 31 -3.009 -1.119 11.224 1.00 0.00 C ATOM 443 O GLY A 31 -1.784 -0.987 11.232 1.00 0.00 O ATOM 0 H GLY A 31 -5.844 -1.203 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.146 -1.095 13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.961 -2.450 12.603 1.00 0.00 H new ATOM 447 N LEU A 32 -3.736 -1.046 10.115 1.00 0.00 N ATOM 448 CA LEU A 32 -3.124 -0.800 8.813 1.00 0.00 C ATOM 449 C LEU A 32 -2.343 0.511 8.818 1.00 0.00 C ATOM 450 O LEU A 32 -1.211 0.571 8.340 1.00 0.00 O ATOM 451 CB LEU A 32 -4.195 -0.765 7.722 1.00 0.00 C ATOM 452 CG LEU A 32 -4.596 -2.117 7.132 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.839 -1.976 6.268 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.448 -2.708 6.325 1.00 0.00 C ATOM 0 H LEU A 32 -4.750 -1.154 10.091 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.430 -1.614 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.087 -0.291 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.839 -0.129 6.912 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.825 -2.796 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.109 -2.949 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.662 -1.597 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.639 -1.281 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.751 -3.670 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.188 -2.030 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.582 -2.847 6.972 1.00 0.00 H new ATOM 466 N GLU A 33 -2.957 1.557 9.362 1.00 0.00 N ATOM 467 CA GLU A 33 -2.318 2.866 9.430 1.00 0.00 C ATOM 468 C GLU A 33 -1.083 2.824 10.326 1.00 0.00 C ATOM 469 O GLU A 33 -0.044 3.397 9.999 1.00 0.00 O ATOM 470 CB GLU A 33 -3.304 3.913 9.951 1.00 0.00 C ATOM 471 CG GLU A 33 -4.378 4.292 8.945 1.00 0.00 C ATOM 472 CD GLU A 33 -5.284 5.400 9.447 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.200 5.101 10.241 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.076 6.564 9.047 1.00 0.00 O ATOM 0 H GLU A 33 -3.895 1.524 9.762 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.005 3.141 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.782 3.532 10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.753 4.809 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.904 4.608 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.980 3.413 8.713 1.00 0.00 H new ATOM 481 N LYS A 34 -1.205 2.141 11.459 1.00 0.00 N ATOM 482 CA LYS A 34 -0.101 2.021 12.404 1.00 0.00 C ATOM 483 C LYS A 34 1.133 1.435 11.727 1.00 0.00 C ATOM 484 O LYS A 34 2.218 2.015 11.783 1.00 0.00 O ATOM 485 CB LYS A 34 -0.510 1.145 13.590 1.00 0.00 C ATOM 486 CG LYS A 34 0.292 1.415 14.851 1.00 0.00 C ATOM 487 CD LYS A 34 -0.330 2.527 15.679 1.00 0.00 C ATOM 488 CE LYS A 34 -1.342 1.981 16.676 1.00 0.00 C ATOM 489 NZ LYS A 34 -2.688 1.810 16.062 1.00 0.00 N ATOM 0 H LYS A 34 -2.058 1.662 11.745 1.00 0.00 H new ATOM 0 HA LYS A 34 0.144 3.019 12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.567 1.304 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.395 0.097 13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.351 0.505 15.448 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.313 1.687 14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.453 3.066 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.818 3.244 15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.993 1.022 17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.414 2.658 17.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.415 1.837 16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.859 2.578 15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.731 0.895 15.569 1.00 0.00 H new ATOM 503 N ARG A 35 0.961 0.284 11.086 1.00 0.00 N ATOM 504 CA ARG A 35 2.061 -0.380 10.398 1.00 0.00 C ATOM 505 C ARG A 35 2.530 0.443 9.201 1.00 0.00 C ATOM 506 O ARG A 35 3.672 0.902 9.159 1.00 0.00 O ATOM 507 CB ARG A 35 1.634 -1.775 9.935 1.00 0.00 C ATOM 508 CG ARG A 35 1.854 -2.857 10.980 1.00 0.00 C ATOM 509 CD ARG A 35 1.076 -2.568 12.253 1.00 0.00 C ATOM 510 NE ARG A 35 1.138 -3.681 13.197 1.00 0.00 N ATOM 511 CZ ARG A 35 2.191 -3.933 13.967 1.00 0.00 C ATOM 512 NH1 ARG A 35 3.264 -3.156 13.905 1.00 0.00 N ATOM 513 NH2 ARG A 35 2.173 -4.965 14.801 1.00 0.00 N ATOM 0 H ARG A 35 0.070 -0.208 11.029 1.00 0.00 H new ATOM 0 HA ARG A 35 2.890 -0.475 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.578 -1.752 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.188 -2.035 9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.548 -3.822 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.917 -2.931 11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.474 -1.670 12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.035 -2.362 12.003 1.00 0.00 H new ATOM 0 HE ARG A 35 0.329 -4.298 13.269 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.283 -2.362 13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.071 -3.352 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.350 -5.566 14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.982 -5.158 15.392 1.00 0.00 H new ATOM 527 N PHE A 36 1.641 0.625 8.231 1.00 0.00 N ATOM 528 CA PHE A 36 1.964 1.392 7.033 1.00 0.00 C ATOM 529 C PHE A 36 2.810 2.613 7.380 1.00 0.00 C ATOM 530 O PHE A 36 3.761 2.943 6.672 1.00 0.00 O ATOM 531 CB PHE A 36 0.682 1.831 6.321 1.00 0.00 C ATOM 532 CG PHE A 36 0.929 2.702 5.123 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.450 3.977 5.274 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.642 2.246 3.847 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.678 4.781 4.173 1.00 0.00 C ATOM 536 CE2 PHE A 36 0.868 3.045 2.742 1.00 0.00 C ATOM 537 CZ PHE A 36 1.388 4.314 2.906 1.00 0.00 C ATOM 0 H PHE A 36 0.692 0.252 8.250 1.00 0.00 H new ATOM 0 HA PHE A 36 2.540 0.751 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.128 0.946 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.050 2.369 7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.680 4.346 6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.237 1.254 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.083 5.774 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.638 2.678 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.568 4.940 2.045 1.00 0.00 H new ATOM 547 N GLU A 37 2.455 3.280 8.474 1.00 0.00 N ATOM 548 CA GLU A 37 3.180 4.465 8.914 1.00 0.00 C ATOM 549 C GLU A 37 4.591 4.102 9.368 1.00 0.00 C ATOM 550 O GLU A 37 5.575 4.662 8.884 1.00 0.00 O ATOM 551 CB GLU A 37 2.429 5.157 10.054 1.00 0.00 C ATOM 552 CG GLU A 37 1.401 6.170 9.578 1.00 0.00 C ATOM 553 CD GLU A 37 2.027 7.491 9.175 1.00 0.00 C ATOM 554 OE1 GLU A 37 3.181 7.480 8.698 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.362 8.536 9.337 1.00 0.00 O ATOM 0 H GLU A 37 1.670 3.019 9.071 1.00 0.00 H new ATOM 0 HA GLU A 37 3.253 5.149 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.929 4.401 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.149 5.659 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.855 5.757 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.674 6.344 10.371 1.00 0.00 H new ATOM 562 N LYS A 38 4.682 3.162 10.302 1.00 0.00 N ATOM 563 CA LYS A 38 5.971 2.722 10.823 1.00 0.00 C ATOM 564 C LYS A 38 6.894 2.282 9.690 1.00 0.00 C ATOM 565 O LYS A 38 8.076 2.623 9.674 1.00 0.00 O ATOM 566 CB LYS A 38 5.779 1.572 11.814 1.00 0.00 C ATOM 567 CG LYS A 38 5.369 2.028 13.203 1.00 0.00 C ATOM 568 CD LYS A 38 6.565 2.514 14.005 1.00 0.00 C ATOM 569 CE LYS A 38 7.424 1.354 14.484 1.00 0.00 C ATOM 570 NZ LYS A 38 8.251 1.726 15.665 1.00 0.00 N ATOM 0 H LYS A 38 3.878 2.689 10.714 1.00 0.00 H new ATOM 0 HA LYS A 38 6.433 3.564 11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.021 0.892 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.708 1.007 11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.634 2.829 13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.887 1.205 13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.167 3.185 13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.219 3.090 14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.784 0.510 14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.075 1.026 13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.822 0.908 15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.880 2.515 15.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.629 2.015 16.447 1.00 0.00 H new ATOM 584 N GLN A 39 6.345 1.525 8.746 1.00 0.00 N ATOM 585 CA GLN A 39 7.120 1.040 7.610 1.00 0.00 C ATOM 586 C GLN A 39 6.365 1.258 6.303 1.00 0.00 C ATOM 587 O GLN A 39 5.452 0.502 5.967 1.00 0.00 O ATOM 588 CB GLN A 39 7.445 -0.445 7.784 1.00 0.00 C ATOM 589 CG GLN A 39 8.747 -0.864 7.121 1.00 0.00 C ATOM 590 CD GLN A 39 9.368 -2.083 7.774 1.00 0.00 C ATOM 591 OE1 GLN A 39 9.775 -2.040 8.935 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.445 -3.180 7.029 1.00 0.00 N ATOM 0 H GLN A 39 5.367 1.234 8.745 1.00 0.00 H new ATOM 0 HA GLN A 39 8.051 1.606 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.498 -0.674 8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.629 -1.038 7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.562 -1.075 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.454 -0.035 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.095 -3.171 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.854 -4.031 7.415 1.00 0.00 H new ATOM 601 N LYS A 40 6.750 2.296 5.569 1.00 0.00 N ATOM 602 CA LYS A 40 6.111 2.614 4.298 1.00 0.00 C ATOM 603 C LYS A 40 5.739 1.342 3.542 1.00 0.00 C ATOM 604 O LYS A 40 4.712 1.289 2.865 1.00 0.00 O ATOM 605 CB LYS A 40 7.038 3.477 3.439 1.00 0.00 C ATOM 606 CG LYS A 40 7.179 4.904 3.941 1.00 0.00 C ATOM 607 CD LYS A 40 5.904 5.701 3.721 1.00 0.00 C ATOM 608 CE LYS A 40 5.921 7.006 4.501 1.00 0.00 C ATOM 609 NZ LYS A 40 4.548 7.535 4.727 1.00 0.00 N ATOM 0 H LYS A 40 7.502 2.932 5.833 1.00 0.00 H new ATOM 0 HA LYS A 40 5.198 3.171 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.024 3.014 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.659 3.496 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.425 4.894 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.007 5.391 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.785 5.913 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.044 5.105 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.412 6.849 5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.510 7.745 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.413 8.401 4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.849 6.822 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.421 7.751 5.736 1.00 0.00 H new ATOM 623 N TYR A 41 6.578 0.320 3.665 1.00 0.00 N ATOM 624 CA TYR A 41 6.337 -0.951 2.993 1.00 0.00 C ATOM 625 C TYR A 41 6.421 -2.113 3.978 1.00 0.00 C ATOM 626 O TYR A 41 6.613 -1.912 5.178 1.00 0.00 O ATOM 627 CB TYR A 41 7.347 -1.154 1.862 1.00 0.00 C ATOM 628 CG TYR A 41 7.567 0.082 1.019 1.00 0.00 C ATOM 629 CD1 TYR A 41 8.296 1.159 1.506 1.00 0.00 C ATOM 630 CD2 TYR A 41 7.046 0.172 -0.267 1.00 0.00 C ATOM 631 CE1 TYR A 41 8.499 2.290 0.740 1.00 0.00 C ATOM 632 CE2 TYR A 41 7.246 1.298 -1.041 1.00 0.00 C ATOM 633 CZ TYR A 41 7.972 2.355 -0.533 1.00 0.00 C ATOM 634 OH TYR A 41 8.173 3.479 -1.301 1.00 0.00 O ATOM 0 H TYR A 41 7.431 0.347 4.224 1.00 0.00 H new ATOM 0 HA TYR A 41 5.331 -0.925 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.300 -1.467 2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.003 -1.965 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.712 1.111 2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.475 -0.653 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.067 3.119 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.836 1.351 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 41 7.954 3.280 -2.235 1.00 0.00 H new ATOM 644 N LEU A 42 6.277 -3.329 3.463 1.00 0.00 N ATOM 645 CA LEU A 42 6.337 -4.525 4.296 1.00 0.00 C ATOM 646 C LEU A 42 7.020 -5.671 3.555 1.00 0.00 C ATOM 647 O LEU A 42 6.768 -5.895 2.371 1.00 0.00 O ATOM 648 CB LEU A 42 4.930 -4.945 4.722 1.00 0.00 C ATOM 649 CG LEU A 42 4.198 -3.985 5.660 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.727 -4.356 5.762 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.847 -3.986 7.037 1.00 0.00 C ATOM 0 H LEU A 42 6.118 -3.513 2.472 1.00 0.00 H new ATOM 0 HA LEU A 42 6.924 -4.290 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.325 -5.077 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.995 -5.918 5.209 1.00 0.00 H new ATOM 0 HG LEU A 42 4.270 -2.979 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.222 -3.662 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.269 -4.303 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.634 -5.370 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.313 -3.297 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.807 -4.991 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.887 -3.671 6.949 1.00 0.00 H new ATOM 663 N SER A 43 7.883 -6.394 4.261 1.00 0.00 N ATOM 664 CA SER A 43 8.603 -7.516 3.670 1.00 0.00 C ATOM 665 C SER A 43 7.651 -8.666 3.353 1.00 0.00 C ATOM 666 O SER A 43 6.457 -8.599 3.648 1.00 0.00 O ATOM 667 CB SER A 43 9.704 -7.998 4.617 1.00 0.00 C ATOM 668 OG SER A 43 10.661 -6.978 4.846 1.00 0.00 O ATOM 0 H SER A 43 8.101 -6.223 5.243 1.00 0.00 H new ATOM 0 HA SER A 43 9.057 -7.175 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.263 -8.307 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.195 -8.874 4.193 1.00 0.00 H new ATOM 0 HG SER A 43 11.353 -7.310 5.455 1.00 0.00 H new ATOM 674 N THR A 44 8.189 -9.720 2.748 1.00 0.00 N ATOM 675 CA THR A 44 7.389 -10.885 2.388 1.00 0.00 C ATOM 676 C THR A 44 6.647 -11.438 3.600 1.00 0.00 C ATOM 677 O THR A 44 5.419 -11.520 3.621 1.00 0.00 O ATOM 678 CB THR A 44 8.261 -12.000 1.781 1.00 0.00 C ATOM 679 OG1 THR A 44 8.314 -11.860 0.357 1.00 0.00 O ATOM 680 CG2 THR A 44 7.714 -13.372 2.142 1.00 0.00 C ATOM 0 H THR A 44 9.175 -9.791 2.497 1.00 0.00 H new ATOM 0 HA THR A 44 6.666 -10.554 1.643 1.00 0.00 H new ATOM 0 HB THR A 44 9.267 -11.909 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.872 -12.572 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.346 -14.143 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.704 -13.486 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.699 -13.472 1.757 1.00 0.00 H new ATOM 688 N PRO A 45 7.408 -11.827 4.633 1.00 0.00 N ATOM 689 CA PRO A 45 6.844 -12.378 5.869 1.00 0.00 C ATOM 690 C PRO A 45 6.099 -11.327 6.685 1.00 0.00 C ATOM 691 O PRO A 45 5.037 -11.600 7.244 1.00 0.00 O ATOM 692 CB PRO A 45 8.075 -12.874 6.631 1.00 0.00 C ATOM 693 CG PRO A 45 9.199 -12.042 6.118 1.00 0.00 C ATOM 694 CD PRO A 45 8.879 -11.757 4.676 1.00 0.00 C ATOM 0 HA PRO A 45 6.108 -13.157 5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.951 -12.751 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.252 -13.934 6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.291 -11.117 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.149 -12.569 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.244 -10.777 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.336 -12.489 4.011 1.00 0.00 H new ATOM 702 N ASP A 46 6.662 -10.126 6.749 1.00 0.00 N ATOM 703 CA ASP A 46 6.050 -9.033 7.496 1.00 0.00 C ATOM 704 C ASP A 46 4.602 -8.825 7.066 1.00 0.00 C ATOM 705 O ASP A 46 3.687 -8.875 7.887 1.00 0.00 O ATOM 706 CB ASP A 46 6.846 -7.742 7.296 1.00 0.00 C ATOM 707 CG ASP A 46 7.972 -7.594 8.300 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.700 -7.156 9.437 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.126 -7.918 7.948 1.00 0.00 O ATOM 0 H ASP A 46 7.542 -9.884 6.293 1.00 0.00 H new ATOM 0 HA ASP A 46 6.061 -9.297 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.258 -7.726 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.174 -6.888 7.380 1.00 0.00 H new ATOM 714 N ARG A 47 4.402 -8.590 5.773 1.00 0.00 N ATOM 715 CA ARG A 47 3.065 -8.371 5.234 1.00 0.00 C ATOM 716 C ARG A 47 2.107 -9.464 5.698 1.00 0.00 C ATOM 717 O ARG A 47 0.952 -9.191 6.030 1.00 0.00 O ATOM 718 CB ARG A 47 3.109 -8.332 3.705 1.00 0.00 C ATOM 719 CG ARG A 47 1.761 -8.044 3.065 1.00 0.00 C ATOM 720 CD ARG A 47 1.874 -7.937 1.552 1.00 0.00 C ATOM 721 NE ARG A 47 2.388 -9.167 0.954 1.00 0.00 N ATOM 722 CZ ARG A 47 2.804 -9.253 -0.305 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.766 -8.189 -1.094 1.00 0.00 N ATOM 724 NH2 ARG A 47 3.259 -10.407 -0.777 1.00 0.00 N ATOM 0 H ARG A 47 5.149 -8.546 5.080 1.00 0.00 H new ATOM 0 HA ARG A 47 2.703 -7.412 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.822 -7.570 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.480 -9.288 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.058 -8.836 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.357 -7.115 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.895 -7.710 1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.532 -7.107 1.295 1.00 0.00 H new ATOM 0 HE ARG A 47 2.430 -10.005 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.417 -7.300 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.086 -8.259 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.289 -11.229 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.578 -10.472 -1.744 1.00 0.00 H new ATOM 738 N ILE A 48 2.592 -10.700 5.719 1.00 0.00 N ATOM 739 CA ILE A 48 1.779 -11.833 6.143 1.00 0.00 C ATOM 740 C ILE A 48 1.457 -11.752 7.631 1.00 0.00 C ATOM 741 O ILE A 48 0.293 -11.650 8.020 1.00 0.00 O ATOM 742 CB ILE A 48 2.484 -13.172 5.853 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.833 -13.278 4.367 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.604 -14.337 6.281 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.880 -14.328 4.067 1.00 0.00 C ATOM 0 H ILE A 48 3.545 -10.943 5.447 1.00 0.00 H new ATOM 0 HA ILE A 48 0.853 -11.789 5.571 1.00 0.00 H new ATOM 0 HB ILE A 48 3.409 -13.211 6.428 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.928 -13.508 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.190 -12.310 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.115 -15.276 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.401 -14.266 7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.664 -14.304 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.078 -14.348 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.799 -14.088 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.518 -15.305 4.387 1.00 0.00 H new ATOM 757 N ASP A 49 2.495 -11.797 8.458 1.00 0.00 N ATOM 758 CA ASP A 49 2.324 -11.726 9.905 1.00 0.00 C ATOM 759 C ASP A 49 1.221 -10.738 10.273 1.00 0.00 C ATOM 760 O ASP A 49 0.331 -11.052 11.065 1.00 0.00 O ATOM 761 CB ASP A 49 3.636 -11.319 10.576 1.00 0.00 C ATOM 762 CG ASP A 49 3.514 -11.238 12.085 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.495 -12.303 12.736 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.437 -10.109 12.615 1.00 0.00 O ATOM 0 H ASP A 49 3.464 -11.882 8.152 1.00 0.00 H new ATOM 0 HA ASP A 49 2.035 -12.715 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.412 -12.038 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.954 -10.352 10.188 1.00 0.00 H new ATOM 769 N LEU A 50 1.287 -9.544 9.696 1.00 0.00 N ATOM 770 CA LEU A 50 0.294 -8.509 9.964 1.00 0.00 C ATOM 771 C LEU A 50 -1.095 -8.959 9.523 1.00 0.00 C ATOM 772 O LEU A 50 -2.023 -9.020 10.329 1.00 0.00 O ATOM 773 CB LEU A 50 0.675 -7.212 9.247 1.00 0.00 C ATOM 774 CG LEU A 50 -0.453 -6.199 9.050 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.839 -5.565 10.377 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.042 -5.131 8.046 1.00 0.00 C ATOM 0 H LEU A 50 2.017 -9.268 9.040 1.00 0.00 H new ATOM 0 HA LEU A 50 0.272 -8.330 11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.475 -6.731 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.082 -7.467 8.269 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.322 -6.725 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.643 -4.847 10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.176 -6.340 11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.025 -5.053 10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.857 -4.419 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.842 -4.609 8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.184 -5.600 7.088 1.00 0.00 H new ATOM 788 N ALA A 51 -1.229 -9.275 8.239 1.00 0.00 N ATOM 789 CA ALA A 51 -2.503 -9.724 7.692 1.00 0.00 C ATOM 790 C ALA A 51 -3.160 -10.755 8.604 1.00 0.00 C ATOM 791 O ALA A 51 -4.385 -10.845 8.672 1.00 0.00 O ATOM 792 CB ALA A 51 -2.306 -10.300 6.298 1.00 0.00 C ATOM 0 H ALA A 51 -0.471 -9.228 7.558 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.165 -8.861 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.266 -10.631 5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.888 -9.535 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.622 -11.147 6.348 1.00 0.00 H new ATOM 798 N GLU A 52 -2.336 -11.530 9.303 1.00 0.00 N ATOM 799 CA GLU A 52 -2.839 -12.556 10.210 1.00 0.00 C ATOM 800 C GLU A 52 -3.379 -11.930 11.492 1.00 0.00 C ATOM 801 O GLU A 52 -4.344 -12.423 12.077 1.00 0.00 O ATOM 802 CB GLU A 52 -1.732 -13.558 10.545 1.00 0.00 C ATOM 803 CG GLU A 52 -1.635 -14.710 9.559 1.00 0.00 C ATOM 804 CD GLU A 52 -2.649 -15.803 9.837 1.00 0.00 C ATOM 805 OE1 GLU A 52 -2.802 -16.183 11.017 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.288 -16.278 8.875 1.00 0.00 O ATOM 0 H GLU A 52 -1.319 -11.467 9.259 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.654 -13.080 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.776 -13.034 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.906 -13.959 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.783 -14.331 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.631 -15.133 9.597 1.00 0.00 H new ATOM 813 N SER A 53 -2.750 -10.842 11.924 1.00 0.00 N ATOM 814 CA SER A 53 -3.165 -10.151 13.139 1.00 0.00 C ATOM 815 C SER A 53 -4.509 -9.457 12.938 1.00 0.00 C ATOM 816 O SER A 53 -5.377 -9.495 13.811 1.00 0.00 O ATOM 817 CB SER A 53 -2.107 -9.127 13.555 1.00 0.00 C ATOM 818 OG SER A 53 -2.251 -8.769 14.918 1.00 0.00 O ATOM 0 H SER A 53 -1.951 -10.420 11.451 1.00 0.00 H new ATOM 0 HA SER A 53 -3.274 -10.893 13.930 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.112 -9.539 13.387 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.193 -8.237 12.931 1.00 0.00 H new ATOM 0 HG SER A 53 -1.562 -8.115 15.159 1.00 0.00 H new ATOM 824 N LEU A 54 -4.674 -8.824 11.782 1.00 0.00 N ATOM 825 CA LEU A 54 -5.912 -8.121 11.465 1.00 0.00 C ATOM 826 C LEU A 54 -6.902 -9.049 10.768 1.00 0.00 C ATOM 827 O LEU A 54 -8.114 -8.869 10.870 1.00 0.00 O ATOM 828 CB LEU A 54 -5.620 -6.909 10.578 1.00 0.00 C ATOM 829 CG LEU A 54 -4.784 -5.798 11.213 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.360 -4.782 10.163 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.560 -5.119 12.332 1.00 0.00 C ATOM 0 H LEU A 54 -3.966 -8.783 11.049 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.358 -7.781 12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.106 -7.256 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.570 -6.482 10.256 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.886 -6.245 11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.766 -3.999 10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.765 -5.278 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.245 -4.340 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.949 -4.331 12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.476 -4.686 11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.812 -5.853 13.097 1.00 0.00 H new ATOM 843 N GLY A 55 -6.375 -10.045 10.062 1.00 0.00 N ATOM 844 CA GLY A 55 -7.227 -10.988 9.361 1.00 0.00 C ATOM 845 C GLY A 55 -7.458 -10.596 7.915 1.00 0.00 C ATOM 846 O GLY A 55 -8.443 -11.010 7.302 1.00 0.00 O ATOM 0 H GLY A 55 -5.374 -10.216 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.774 -11.979 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.187 -11.057 9.873 1.00 0.00 H new ATOM 850 N LEU A 56 -6.550 -9.795 7.368 1.00 0.00 N ATOM 851 CA LEU A 56 -6.661 -9.346 5.985 1.00 0.00 C ATOM 852 C LEU A 56 -5.807 -10.209 5.062 1.00 0.00 C ATOM 853 O LEU A 56 -4.978 -10.994 5.521 1.00 0.00 O ATOM 854 CB LEU A 56 -6.236 -7.881 5.868 1.00 0.00 C ATOM 855 CG LEU A 56 -7.157 -6.859 6.537 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.441 -5.530 6.714 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.430 -6.677 5.723 1.00 0.00 C ATOM 0 H LEU A 56 -5.729 -9.443 7.861 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.703 -9.442 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.239 -7.777 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.156 -7.630 4.810 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.430 -7.235 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.112 -4.816 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.559 -5.672 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.138 -5.147 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.074 -5.947 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.176 -6.324 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.954 -7.630 5.648 1.00 0.00 H new ATOM 869 N SER A 57 -6.016 -10.058 3.758 1.00 0.00 N ATOM 870 CA SER A 57 -5.266 -10.825 2.770 1.00 0.00 C ATOM 871 C SER A 57 -4.040 -10.050 2.296 1.00 0.00 C ATOM 872 O SER A 57 -4.104 -8.841 2.078 1.00 0.00 O ATOM 873 CB SER A 57 -6.159 -11.168 1.576 1.00 0.00 C ATOM 874 OG SER A 57 -7.201 -12.050 1.955 1.00 0.00 O ATOM 0 H SER A 57 -6.698 -9.412 3.361 1.00 0.00 H new ATOM 0 HA SER A 57 -4.930 -11.748 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.585 -10.254 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.559 -11.625 0.789 1.00 0.00 H new ATOM 0 HG SER A 57 -7.758 -12.252 1.175 1.00 0.00 H new ATOM 880 N GLN A 58 -2.925 -10.757 2.140 1.00 0.00 N ATOM 881 CA GLN A 58 -1.684 -10.137 1.693 1.00 0.00 C ATOM 882 C GLN A 58 -1.960 -9.052 0.657 1.00 0.00 C ATOM 883 O GLN A 58 -1.222 -8.071 0.558 1.00 0.00 O ATOM 884 CB GLN A 58 -0.744 -11.191 1.107 1.00 0.00 C ATOM 885 CG GLN A 58 -0.335 -12.263 2.104 1.00 0.00 C ATOM 886 CD GLN A 58 0.906 -13.019 1.672 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.995 -12.450 1.585 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.749 -14.309 1.398 1.00 0.00 N ATOM 0 H GLN A 58 -2.856 -11.759 2.317 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.206 -9.676 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.230 -11.666 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.151 -10.697 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.155 -11.801 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.158 -12.966 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.171 -14.740 1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.549 -14.869 1.102 1.00 0.00 H new ATOM 897 N LEU A 59 -3.027 -9.234 -0.113 1.00 0.00 N ATOM 898 CA LEU A 59 -3.400 -8.271 -1.143 1.00 0.00 C ATOM 899 C LEU A 59 -3.787 -6.933 -0.522 1.00 0.00 C ATOM 900 O LEU A 59 -3.224 -5.893 -0.864 1.00 0.00 O ATOM 901 CB LEU A 59 -4.561 -8.813 -1.979 1.00 0.00 C ATOM 902 CG LEU A 59 -5.109 -7.875 -3.055 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.084 -7.675 -4.161 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.411 -8.418 -3.624 1.00 0.00 C ATOM 0 H LEU A 59 -3.649 -10.039 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.537 -8.115 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.236 -9.735 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.376 -9.076 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.312 -6.907 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.491 -7.005 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.177 -7.240 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.848 -8.637 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.786 -7.737 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.234 -9.398 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.147 -8.508 -2.825 1.00 0.00 H new ATOM 916 N GLN A 60 -4.751 -6.967 0.393 1.00 0.00 N ATOM 917 CA GLN A 60 -5.211 -5.757 1.063 1.00 0.00 C ATOM 918 C GLN A 60 -4.046 -4.816 1.349 1.00 0.00 C ATOM 919 O GLN A 60 -4.033 -3.671 0.897 1.00 0.00 O ATOM 920 CB GLN A 60 -5.928 -6.111 2.367 1.00 0.00 C ATOM 921 CG GLN A 60 -7.234 -6.861 2.159 1.00 0.00 C ATOM 922 CD GLN A 60 -8.413 -5.932 1.949 1.00 0.00 C ATOM 923 OE1 GLN A 60 -9.181 -5.666 2.875 1.00 0.00 O ATOM 924 NE2 GLN A 60 -8.563 -5.432 0.728 1.00 0.00 N ATOM 0 H GLN A 60 -5.228 -7.819 0.687 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.910 -5.249 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.265 -6.717 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.129 -5.194 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.137 -7.520 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.426 -7.496 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.903 -5.679 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.338 -4.800 0.527 1.00 0.00 H new ATOM 933 N VAL A 61 -3.067 -5.306 2.102 1.00 0.00 N ATOM 934 CA VAL A 61 -1.896 -4.510 2.448 1.00 0.00 C ATOM 935 C VAL A 61 -1.182 -4.010 1.197 1.00 0.00 C ATOM 936 O VAL A 61 -0.984 -2.807 1.021 1.00 0.00 O ATOM 937 CB VAL A 61 -0.902 -5.315 3.306 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.337 -4.486 3.609 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.566 -5.786 4.590 1.00 0.00 C ATOM 0 H VAL A 61 -3.062 -6.252 2.485 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.253 -3.657 3.025 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.591 -6.194 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.027 -5.072 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.824 -4.205 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.049 -3.587 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.849 -6.353 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.908 -4.923 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.418 -6.421 4.347 1.00 0.00 H new ATOM 949 N LYS A 62 -0.798 -4.940 0.330 1.00 0.00 N ATOM 950 CA LYS A 62 -0.107 -4.596 -0.907 1.00 0.00 C ATOM 951 C LYS A 62 -0.796 -3.429 -1.608 1.00 0.00 C ATOM 952 O LYS A 62 -0.207 -2.362 -1.786 1.00 0.00 O ATOM 953 CB LYS A 62 -0.055 -5.807 -1.840 1.00 0.00 C ATOM 954 CG LYS A 62 0.857 -5.612 -3.039 1.00 0.00 C ATOM 955 CD LYS A 62 0.557 -6.618 -4.138 1.00 0.00 C ATOM 956 CE LYS A 62 0.877 -6.054 -5.513 1.00 0.00 C ATOM 957 NZ LYS A 62 0.652 -7.056 -6.591 1.00 0.00 N ATOM 0 H LYS A 62 -0.954 -5.939 0.461 1.00 0.00 H new ATOM 0 HA LYS A 62 0.910 -4.296 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.282 -6.676 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.063 -6.027 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.737 -4.601 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.896 -5.712 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.139 -7.525 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.495 -6.902 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.258 -5.176 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.915 -5.722 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.882 -6.632 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.261 -7.883 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.344 -7.354 -6.586 1.00 0.00 H new ATOM 971 N THR A 63 -2.048 -3.638 -2.003 1.00 0.00 N ATOM 972 CA THR A 63 -2.818 -2.604 -2.684 1.00 0.00 C ATOM 973 C THR A 63 -3.077 -1.417 -1.764 1.00 0.00 C ATOM 974 O THR A 63 -2.626 -0.303 -2.031 1.00 0.00 O ATOM 975 CB THR A 63 -4.166 -3.150 -3.192 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.954 -4.340 -3.960 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.884 -2.112 -4.041 1.00 0.00 C ATOM 0 H THR A 63 -2.551 -4.514 -1.863 1.00 0.00 H new ATOM 0 HA THR A 63 -2.223 -2.276 -3.537 1.00 0.00 H new ATOM 0 HB THR A 63 -4.789 -3.383 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.816 -4.682 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.833 -2.520 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.069 -1.219 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.264 -1.852 -4.899 1.00 0.00 H new ATOM 985 N TRP A 64 -3.805 -1.661 -0.681 1.00 0.00 N ATOM 986 CA TRP A 64 -4.124 -0.610 0.279 1.00 0.00 C ATOM 987 C TRP A 64 -2.943 0.336 0.462 1.00 0.00 C ATOM 988 O TRP A 64 -3.109 1.556 0.477 1.00 0.00 O ATOM 989 CB TRP A 64 -4.517 -1.222 1.624 1.00 0.00 C ATOM 990 CG TRP A 64 -5.022 -0.214 2.611 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.325 0.130 2.836 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.235 0.582 3.503 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.394 1.092 3.815 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.126 1.386 4.241 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.864 0.692 3.752 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.688 2.287 5.208 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.432 1.587 4.712 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.341 2.374 5.431 1.00 0.00 C ATOM 0 H TRP A 64 -4.186 -2.577 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.966 -0.038 -0.111 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.286 -1.977 1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.653 -1.734 2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.175 -0.292 2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.251 1.518 4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.155 0.089 3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.387 2.896 5.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.375 1.682 4.912 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.971 3.063 6.176 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.751 -0.233 0.601 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.542 0.561 0.785 1.00 0.00 C ATOM 1011 C TYR A 65 -0.292 1.461 -0.421 1.00 0.00 C ATOM 1012 O TYR A 65 -0.221 2.683 -0.292 1.00 0.00 O ATOM 1013 CB TYR A 65 0.664 -0.353 1.012 1.00 0.00 C ATOM 1014 CG TYR A 65 0.912 -0.679 2.467 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -0.074 -1.275 3.244 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.132 -0.390 3.066 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.148 -1.574 4.574 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.363 -0.687 4.395 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.368 -1.278 5.145 1.00 0.00 C ATOM 1020 OH TYR A 65 1.593 -1.576 6.470 1.00 0.00 O ATOM 0 H TYR A 65 -1.596 -1.241 0.590 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.682 1.192 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.514 -1.281 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.553 0.123 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.031 -1.508 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.913 0.075 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.629 -2.037 5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.318 -0.458 4.844 1.00 0.00 H new ATOM 0 HH TYR A 65 2.554 -1.533 6.656 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.160 0.848 -1.592 1.00 0.00 N ATOM 1031 CA GLN A 66 0.081 1.593 -2.822 1.00 0.00 C ATOM 1032 C GLN A 66 -0.912 2.741 -2.967 1.00 0.00 C ATOM 1033 O GLN A 66 -0.527 3.877 -3.238 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.014 0.664 -4.033 1.00 0.00 C ATOM 1035 CG GLN A 66 0.786 1.145 -5.233 1.00 0.00 C ATOM 1036 CD GLN A 66 0.578 2.619 -5.521 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.406 3.456 -5.160 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -0.531 2.945 -6.174 1.00 0.00 N ATOM 0 H GLN A 66 -0.216 -0.163 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 66 1.086 2.011 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.336 -0.328 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.060 0.562 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.845 0.959 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.502 0.564 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.190 2.219 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.724 3.922 -6.395 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.193 2.436 -2.783 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.242 3.442 -2.895 1.00 0.00 C ATOM 1049 C ASN A 67 -3.030 4.563 -1.882 1.00 0.00 C ATOM 1050 O ASN A 67 -3.580 5.656 -2.025 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.616 2.802 -2.685 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.221 2.294 -3.979 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.128 2.910 -4.538 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -4.720 1.162 -4.461 1.00 0.00 N ATOM 0 H ASN A 67 -2.529 1.500 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.197 3.868 -3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.525 1.975 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.289 3.532 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.087 0.770 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.968 0.685 -3.964 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.230 4.284 -0.858 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.946 5.268 0.180 1.00 0.00 C ATOM 1063 C ARG A 68 -0.691 6.067 -0.157 1.00 0.00 C ATOM 1064 O ARG A 68 -0.686 7.296 -0.083 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.777 4.578 1.535 1.00 0.00 C ATOM 1066 CG ARG A 68 -3.068 4.000 2.090 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.931 5.077 2.728 1.00 0.00 C ATOM 1068 NE ARG A 68 -5.214 4.550 3.185 1.00 0.00 N ATOM 1069 CZ ARG A 68 -6.118 5.277 3.834 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.880 6.554 4.100 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -7.263 4.726 4.217 1.00 0.00 N ATOM 0 H ARG A 68 -1.767 3.385 -0.725 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.790 5.956 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.044 3.778 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.373 5.295 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.624 3.514 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.836 3.233 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.398 5.516 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.103 5.877 2.008 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.428 3.571 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.001 6.981 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.576 7.109 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.450 3.744 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.956 5.284 4.715 1.00 0.00 H new ATOM 1085 N ARG A 69 0.372 5.360 -0.527 1.00 0.00 N ATOM 1086 CA ARG A 69 1.634 6.002 -0.873 1.00 0.00 C ATOM 1087 C ARG A 69 1.420 7.096 -1.916 1.00 0.00 C ATOM 1088 O ARG A 69 1.980 8.186 -1.811 1.00 0.00 O ATOM 1089 CB ARG A 69 2.630 4.968 -1.401 1.00 0.00 C ATOM 1090 CG ARG A 69 3.484 4.335 -0.315 1.00 0.00 C ATOM 1091 CD ARG A 69 4.543 3.415 -0.903 1.00 0.00 C ATOM 1092 NE ARG A 69 5.400 4.109 -1.860 1.00 0.00 N ATOM 1093 CZ ARG A 69 5.096 4.261 -3.144 1.00 0.00 C ATOM 1094 NH1 ARG A 69 3.961 3.770 -3.623 1.00 0.00 N ATOM 1095 NH2 ARG A 69 5.928 4.905 -3.953 1.00 0.00 N ATOM 0 H ARG A 69 0.384 4.342 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 69 2.039 6.458 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.083 4.184 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.282 5.445 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.965 5.117 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.848 3.770 0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.155 3.006 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.058 2.572 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 69 6.281 4.499 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.319 3.274 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.730 3.888 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.802 5.284 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.693 5.021 -4.939 1.00 0.00 H new ATOM 1109 N MET A 70 0.605 6.795 -2.922 1.00 0.00 N ATOM 1110 CA MET A 70 0.316 7.752 -3.983 1.00 0.00 C ATOM 1111 C MET A 70 -0.067 9.109 -3.402 1.00 0.00 C ATOM 1112 O MET A 70 0.512 10.135 -3.759 1.00 0.00 O ATOM 1113 CB MET A 70 -0.812 7.231 -4.876 1.00 0.00 C ATOM 1114 CG MET A 70 -2.112 6.979 -4.129 1.00 0.00 C ATOM 1115 SD MET A 70 -3.343 6.137 -5.143 1.00 0.00 S ATOM 1116 CE MET A 70 -3.887 7.478 -6.197 1.00 0.00 C ATOM 0 H MET A 70 0.133 5.896 -3.024 1.00 0.00 H new ATOM 0 HA MET A 70 1.218 7.874 -4.583 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.995 7.951 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.490 6.304 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.907 6.380 -3.242 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.519 7.930 -3.785 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.677 7.123 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.268 8.293 -5.582 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.047 7.836 -6.793 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.046 9.108 -2.503 1.00 0.00 N ATOM 1127 CA LYS A 71 -1.506 10.339 -1.871 1.00 0.00 C ATOM 1128 C LYS A 71 -0.436 10.906 -0.943 1.00 0.00 C ATOM 1129 O LYS A 71 -0.320 12.122 -0.785 1.00 0.00 O ATOM 1130 CB LYS A 71 -2.794 10.083 -1.085 1.00 0.00 C ATOM 1131 CG LYS A 71 -4.007 9.845 -1.968 1.00 0.00 C ATOM 1132 CD LYS A 71 -5.152 9.222 -1.186 1.00 0.00 C ATOM 1133 CE LYS A 71 -6.017 10.283 -0.524 1.00 0.00 C ATOM 1134 NZ LYS A 71 -7.370 9.762 -0.184 1.00 0.00 N ATOM 0 H LYS A 71 -1.536 8.268 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.706 11.068 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.650 9.217 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.989 10.936 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.333 10.790 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.733 9.192 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.764 8.617 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.752 8.551 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.526 10.638 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.115 11.140 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.929 10.515 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.849 9.446 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.279 8.960 0.472 1.00 0.00 H new ATOM 1148 N TRP A 72 0.342 10.020 -0.333 1.00 0.00 N ATOM 1149 CA TRP A 72 1.403 10.433 0.579 1.00 0.00 C ATOM 1150 C TRP A 72 2.511 11.164 -0.172 1.00 0.00 C ATOM 1151 O TRP A 72 3.111 12.104 0.349 1.00 0.00 O ATOM 1152 CB TRP A 72 1.979 9.218 1.308 1.00 0.00 C ATOM 1153 CG TRP A 72 3.378 9.430 1.801 1.00 0.00 C ATOM 1154 CD1 TRP A 72 3.757 10.112 2.922 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.583 8.958 1.189 1.00 0.00 C ATOM 1156 NE1 TRP A 72 5.126 10.093 3.043 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.656 9.391 1.993 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.861 8.211 0.041 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 6.982 9.101 1.684 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 6.177 7.925 -0.265 1.00 0.00 C ATOM 1161 CH2 TRP A 72 7.224 8.368 0.554 1.00 0.00 C ATOM 0 H TRP A 72 0.259 9.011 -0.453 1.00 0.00 H new ATOM 0 HA TRP A 72 0.974 11.117 1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.337 8.972 2.154 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.964 8.360 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.081 10.595 3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.661 10.531 3.793 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.061 7.864 -0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 7.791 9.442 2.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.403 7.350 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.242 8.126 0.288 1.00 0.00 H new ATOM 1172 N LYS A 73 2.778 10.726 -1.397 1.00 0.00 N ATOM 1173 CA LYS A 73 3.813 11.339 -2.221 1.00 0.00 C ATOM 1174 C LYS A 73 3.622 12.850 -2.299 1.00 0.00 C ATOM 1175 O LYS A 73 4.574 13.616 -2.147 1.00 0.00 O ATOM 1176 CB LYS A 73 3.796 10.739 -3.628 1.00 0.00 C ATOM 1177 CG LYS A 73 4.476 9.383 -3.720 1.00 0.00 C ATOM 1178 CD LYS A 73 4.671 8.953 -5.164 1.00 0.00 C ATOM 1179 CE LYS A 73 5.262 7.555 -5.254 1.00 0.00 C ATOM 1180 NZ LYS A 73 6.750 7.576 -5.200 1.00 0.00 N ATOM 0 H LYS A 73 2.291 9.948 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 73 4.779 11.136 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.762 10.641 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.287 11.429 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.443 9.425 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.877 8.638 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.714 8.979 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.328 9.660 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.878 6.945 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.939 7.084 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.118 6.624 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.114 8.244 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.059 7.875 -4.253 1.00 0.00 H new ATOM 1194 N LYS A 74 2.385 13.274 -2.537 1.00 0.00 N ATOM 1195 CA LYS A 74 2.068 14.694 -2.632 1.00 0.00 C ATOM 1196 C LYS A 74 1.630 15.246 -1.280 1.00 0.00 C ATOM 1197 O LYS A 74 0.937 14.572 -0.518 1.00 0.00 O ATOM 1198 CB LYS A 74 0.965 14.922 -3.669 1.00 0.00 C ATOM 1199 CG LYS A 74 0.621 16.387 -3.879 1.00 0.00 C ATOM 1200 CD LYS A 74 0.108 16.643 -5.286 1.00 0.00 C ATOM 1201 CE LYS A 74 0.144 18.124 -5.632 1.00 0.00 C ATOM 1202 NZ LYS A 74 -1.063 18.839 -5.133 1.00 0.00 N ATOM 0 H LYS A 74 1.586 12.654 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 74 2.969 15.222 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.277 14.491 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.068 14.388 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.134 16.692 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.504 16.999 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.713 16.086 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.913 16.272 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.038 18.576 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.216 18.243 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.001 19.845 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.914 18.425 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.118 18.747 -4.098 1.00 0.00 H new ATOM 1216 N SER A 75 2.039 16.477 -0.988 1.00 0.00 N ATOM 1217 CA SER A 75 1.691 17.119 0.275 1.00 0.00 C ATOM 1218 C SER A 75 0.288 17.715 0.212 1.00 0.00 C ATOM 1219 O SER A 75 -0.556 17.435 1.062 1.00 0.00 O ATOM 1220 CB SER A 75 2.707 18.211 0.613 1.00 0.00 C ATOM 1221 OG SER A 75 2.740 19.207 -0.395 1.00 0.00 O ATOM 0 H SER A 75 2.611 17.050 -1.608 1.00 0.00 H new ATOM 0 HA SER A 75 1.710 16.361 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.452 18.666 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.697 17.769 0.724 1.00 0.00 H new ATOM 0 HG SER A 75 3.396 19.894 -0.154 1.00 0.00 H new ATOM 1227 N GLY A 76 0.047 18.541 -0.802 1.00 0.00 N ATOM 1228 CA GLY A 76 -1.254 19.165 -0.958 1.00 0.00 C ATOM 1229 C GLY A 76 -1.304 20.557 -0.360 1.00 0.00 C ATOM 1230 O GLY A 76 -1.733 20.752 0.777 1.00 0.00 O ATOM 0 H GLY A 76 0.730 18.789 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.503 19.219 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.012 18.542 -0.484 1.00 0.00 H new ATOM 1234 N PRO A 77 -0.857 21.555 -1.136 1.00 0.00 N ATOM 1235 CA PRO A 77 -0.841 22.953 -0.697 1.00 0.00 C ATOM 1236 C PRO A 77 -2.244 23.540 -0.583 1.00 0.00 C ATOM 1237 O PRO A 77 -2.464 24.512 0.140 1.00 0.00 O ATOM 1238 CB PRO A 77 -0.053 23.663 -1.801 1.00 0.00 C ATOM 1239 CG PRO A 77 -0.237 22.808 -3.007 1.00 0.00 C ATOM 1240 CD PRO A 77 -0.331 21.395 -2.503 1.00 0.00 C ATOM 0 HA PRO A 77 -0.404 23.064 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.429 24.672 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.001 23.756 -1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.139 23.089 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.599 22.921 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.995 20.791 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.641 20.902 -2.504 1.00 0.00 H new ATOM 1248 N SER A 78 -3.191 22.944 -1.301 1.00 0.00 N ATOM 1249 CA SER A 78 -4.572 23.410 -1.282 1.00 0.00 C ATOM 1250 C SER A 78 -5.054 23.623 0.150 1.00 0.00 C ATOM 1251 O SER A 78 -5.649 24.653 0.470 1.00 0.00 O ATOM 1252 CB SER A 78 -5.481 22.407 -1.994 1.00 0.00 C ATOM 1253 OG SER A 78 -5.585 22.704 -3.376 1.00 0.00 O ATOM 0 H SER A 78 -3.027 22.137 -1.903 1.00 0.00 H new ATOM 0 HA SER A 78 -4.614 24.364 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.087 21.399 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.472 22.423 -1.540 1.00 0.00 H new ATOM 0 HG SER A 78 -6.170 22.047 -3.809 1.00 0.00 H new ATOM 1259 N SER A 79 -4.793 22.642 1.007 1.00 0.00 N ATOM 1260 CA SER A 79 -5.204 22.719 2.405 1.00 0.00 C ATOM 1261 C SER A 79 -4.157 22.081 3.314 1.00 0.00 C ATOM 1262 O SER A 79 -3.375 21.236 2.881 1.00 0.00 O ATOM 1263 CB SER A 79 -6.555 22.029 2.600 1.00 0.00 C ATOM 1264 OG SER A 79 -7.582 22.711 1.902 1.00 0.00 O ATOM 0 H SER A 79 -4.299 21.785 0.759 1.00 0.00 H new ATOM 0 HA SER A 79 -5.300 23.771 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.495 20.999 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.797 21.990 3.662 1.00 0.00 H new ATOM 0 HG SER A 79 -8.435 22.249 2.042 1.00 0.00 H new ATOM 1270 N GLY A 80 -4.151 22.493 4.578 1.00 0.00 N ATOM 1271 CA GLY A 80 -3.197 21.952 5.529 1.00 0.00 C ATOM 1272 C GLY A 80 -3.838 21.605 6.859 1.00 0.00 C ATOM 1273 O GLY A 80 -3.143 21.329 7.836 1.00 0.00 O ATOM 0 H GLY A 80 -4.789 23.191 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.735 21.059 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.399 22.677 5.692 1.00 0.00 H new TER 1277 GLY A 80