USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 53:sc= 1.28 USER MOD Set 1.2: A 78 SER OG : rot -180:sc= -1.09! USER MOD Set 2.1: A 48 THR OG1 : rot 132:sc= -0.753 USER MOD Set 2.2: A 51 CYS SG : rot -143:sc= 0.914 USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -4.99! C(o=-8.6!,f=-6.6!) USER MOD Set 3.2: A 23 SER OG : rot -74:sc= -0.462 USER MOD Set 3.3: A 24 THR OG1 : rot 86:sc= -1.15! USER MOD Set 4.1: A 11 MET CE :methyl -112:sc= -13.3! (180deg=-10.4!) USER MOD Set 4.2: A 46 CYS SG : rot -170:sc= -0.0482 USER MOD Set 4.3: A 65 TYR OH : rot 120:sc= -6.34! USER MOD Set 4.4: A 69 MET CE :methyl -170:sc= -3.86! (180deg=0) USER MOD Set 4.5: A 79 CYS SG : rot 168:sc= -2.24! USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= -0.0795 (180deg=-1.24) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.226 F(o=-0.79,f=-0.23) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -2.53 F(o=-4.5!,f=-2.5) USER MOD Single : A 25 HIS : no HE2:sc= -10.2! C(o=-10!,f=-17!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.9 F(o=-1.9,f=-0.9) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -4.59! C(o=-5.2!,f=-4.6!) USER MOD Single : A 43 TYR OH : rot 17:sc= 1.07 USER MOD Single : A 44 GLN : amide:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.4) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.88 F(o=-4.2!,f=-1.9) USER MOD Single : A 55 MET CE :methyl 163:sc= -5.05! (180deg=-5.94!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -9.17! C(o=-9.2!,f=-15!) USER MOD Single : A 70 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= 0.596! (180deg=0.13!) USER MOD Single : A 82 CYS SG : rot 180:sc= -2.4! USER MOD Single : A 83 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-14!) USER MOD Single : A 86 THR OG1 : rot 93:sc= 0.0362 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -0:sc= 0.267 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.19 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -114:sc= 0.872 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 20:sc= -1.3 USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.942 F(o=-1.5,f=-0.94) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.534 12.446 2.607 1.00 0.00 N ATOM 14 CA PRO A 2 16.351 12.305 3.489 1.00 0.00 C ATOM 15 C PRO A 2 16.661 11.370 4.658 1.00 0.00 C ATOM 16 O PRO A 2 17.320 10.362 4.501 1.00 0.00 O ATOM 17 CB PRO A 2 15.296 11.684 2.579 1.00 0.00 C ATOM 18 CG PRO A 2 16.070 10.979 1.511 1.00 0.00 C ATOM 19 CD PRO A 2 17.370 11.724 1.340 1.00 0.00 C ATOM 0 HA PRO A 2 16.034 13.252 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.660 10.990 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.643 12.447 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.254 9.942 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.510 10.963 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.200 11.042 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.329 12.409 0.493 1.00 0.00 H new ATOM 27 N LYS A 3 16.182 11.689 5.827 1.00 0.00 N ATOM 28 CA LYS A 3 16.442 10.806 6.995 1.00 0.00 C ATOM 29 C LYS A 3 15.220 9.940 7.274 1.00 0.00 C ATOM 30 O LYS A 3 14.368 10.276 8.071 1.00 0.00 O ATOM 31 CB LYS A 3 16.694 11.735 8.168 1.00 0.00 C ATOM 32 CG LYS A 3 17.692 12.822 7.763 1.00 0.00 C ATOM 33 CD LYS A 3 17.990 13.718 8.967 1.00 0.00 C ATOM 34 CE LYS A 3 19.503 13.853 9.143 1.00 0.00 C ATOM 35 NZ LYS A 3 19.994 14.391 7.844 1.00 0.00 N ATOM 0 H LYS A 3 15.624 12.520 6.023 1.00 0.00 H new ATOM 0 HA LYS A 3 17.287 10.141 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.758 12.190 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.082 11.169 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.613 12.367 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.285 13.417 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.541 14.701 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.545 13.294 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.746 14.525 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.962 12.891 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.746 15.088 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.371 13.613 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.209 14.849 7.339 1.00 0.00 H new ATOM 49 N ALA A 4 15.135 8.829 6.617 1.00 0.00 N ATOM 50 CA ALA A 4 13.973 7.918 6.825 1.00 0.00 C ATOM 51 C ALA A 4 13.630 7.841 8.315 1.00 0.00 C ATOM 52 O ALA A 4 14.507 7.835 9.155 1.00 0.00 O ATOM 53 CB ALA A 4 14.435 6.555 6.308 1.00 0.00 C ATOM 0 H ALA A 4 15.822 8.503 5.937 1.00 0.00 H new ATOM 0 HA ALA A 4 13.078 8.263 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.631 5.829 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.697 6.636 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.307 6.228 6.874 1.00 0.00 H new ATOM 59 N PRO A 5 12.356 7.783 8.589 1.00 0.00 N ATOM 60 CA PRO A 5 11.884 7.708 9.984 1.00 0.00 C ATOM 61 C PRO A 5 11.985 6.277 10.511 1.00 0.00 C ATOM 62 O PRO A 5 12.130 5.333 9.761 1.00 0.00 O ATOM 63 CB PRO A 5 10.435 8.177 9.898 1.00 0.00 C ATOM 64 CG PRO A 5 10.006 7.931 8.479 1.00 0.00 C ATOM 65 CD PRO A 5 11.251 7.783 7.631 1.00 0.00 C ATOM 0 HA PRO A 5 12.474 8.313 10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.805 7.628 10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.350 9.233 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.394 7.031 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.395 8.758 8.117 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.229 6.859 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.345 8.603 6.919 1.00 0.00 H new ATOM 73 N ALA A 6 11.922 6.116 11.802 1.00 0.00 N ATOM 74 CA ALA A 6 12.027 4.758 12.392 1.00 0.00 C ATOM 75 C ALA A 6 10.945 3.843 11.824 1.00 0.00 C ATOM 76 O ALA A 6 10.113 4.252 11.039 1.00 0.00 O ATOM 77 CB ALA A 6 11.821 4.961 13.893 1.00 0.00 C ATOM 0 H ALA A 6 11.802 6.872 12.476 1.00 0.00 H new ATOM 0 HA ALA A 6 12.985 4.288 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.884 3.999 14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.592 5.628 14.279 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.839 5.401 14.069 1.00 0.00 H new ATOM 83 N ASP A 7 10.956 2.607 12.223 1.00 0.00 N ATOM 84 CA ASP A 7 9.940 1.646 11.728 1.00 0.00 C ATOM 85 C ASP A 7 8.718 1.677 12.646 1.00 0.00 C ATOM 86 O ASP A 7 8.774 2.164 13.756 1.00 0.00 O ATOM 87 CB ASP A 7 10.630 0.286 11.798 1.00 0.00 C ATOM 88 CG ASP A 7 12.051 0.404 11.245 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.206 0.983 10.182 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.961 -0.087 11.894 1.00 0.00 O ATOM 0 H ASP A 7 11.633 2.217 12.878 1.00 0.00 H new ATOM 0 HA ASP A 7 9.593 1.875 10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.658 -0.066 12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.066 -0.450 11.225 1.00 0.00 H new ATOM 95 N GLY A 8 7.621 1.155 12.192 1.00 0.00 N ATOM 96 CA GLY A 8 6.394 1.148 13.036 1.00 0.00 C ATOM 97 C GLY A 8 5.542 2.377 12.724 1.00 0.00 C ATOM 98 O GLY A 8 4.689 2.762 13.500 1.00 0.00 O ATOM 0 H GLY A 8 7.516 0.730 11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.820 0.240 12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.668 1.143 14.091 1.00 0.00 H new ATOM 102 N LEU A 9 5.749 2.991 11.593 1.00 0.00 N ATOM 103 CA LEU A 9 4.930 4.183 11.245 1.00 0.00 C ATOM 104 C LEU A 9 3.457 3.789 11.255 1.00 0.00 C ATOM 105 O LEU A 9 3.096 2.721 11.707 1.00 0.00 O ATOM 106 CB LEU A 9 5.365 4.582 9.832 1.00 0.00 C ATOM 107 CG LEU A 9 5.836 6.040 9.828 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.994 6.194 8.843 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.685 6.959 9.398 1.00 0.00 C ATOM 0 H LEU A 9 6.446 2.721 10.899 1.00 0.00 H new ATOM 0 HA LEU A 9 5.065 5.006 11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.169 3.929 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.535 4.456 9.137 1.00 0.00 H new ATOM 0 HG LEU A 9 6.162 6.314 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.332 7.230 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.817 5.546 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.661 5.916 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.027 7.994 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.356 6.685 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.854 6.852 10.095 1.00 0.00 H new ATOM 121 N LYS A 10 2.603 4.630 10.758 1.00 0.00 N ATOM 122 CA LYS A 10 1.161 4.277 10.742 1.00 0.00 C ATOM 123 C LYS A 10 0.404 5.113 9.720 1.00 0.00 C ATOM 124 O LYS A 10 0.162 6.288 9.908 1.00 0.00 O ATOM 125 CB LYS A 10 0.655 4.574 12.147 1.00 0.00 C ATOM 126 CG LYS A 10 0.814 3.324 13.011 1.00 0.00 C ATOM 127 CD LYS A 10 -0.063 3.448 14.258 1.00 0.00 C ATOM 128 CE LYS A 10 0.459 2.507 15.347 1.00 0.00 C ATOM 129 NZ LYS A 10 -0.132 3.021 16.613 1.00 0.00 N ATOM 0 H LYS A 10 2.837 5.541 10.364 1.00 0.00 H new ATOM 0 HA LYS A 10 1.011 3.234 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.214 5.404 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.391 4.877 12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.532 2.438 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.858 3.199 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.057 4.477 14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.096 3.201 14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.155 1.477 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.548 2.515 15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.180 2.427 17.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.180 4.001 16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.170 2.995 16.547 1.00 0.00 H new ATOM 143 N MET A 11 -0.001 4.497 8.652 1.00 0.00 N ATOM 144 CA MET A 11 -0.780 5.221 7.618 1.00 0.00 C ATOM 145 C MET A 11 -2.244 5.199 8.037 1.00 0.00 C ATOM 146 O MET A 11 -2.966 4.281 7.725 1.00 0.00 O ATOM 147 CB MET A 11 -0.566 4.425 6.329 1.00 0.00 C ATOM 148 CG MET A 11 0.581 5.038 5.527 1.00 0.00 C ATOM 149 SD MET A 11 0.805 4.107 3.990 1.00 0.00 S ATOM 150 CE MET A 11 0.313 5.424 2.851 1.00 0.00 C ATOM 0 H MET A 11 0.176 3.513 8.449 1.00 0.00 H new ATOM 0 HA MET A 11 -0.479 6.260 7.486 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.341 3.385 6.566 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.479 4.426 5.734 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.366 6.083 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.500 5.020 6.113 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.629 5.157 2.371 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.188 6.355 3.404 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.083 5.554 2.091 1.00 0.00 H new ATOM 160 N ASP A 12 -2.674 6.181 8.777 1.00 0.00 N ATOM 161 CA ASP A 12 -4.092 6.186 9.249 1.00 0.00 C ATOM 162 C ASP A 12 -4.933 7.189 8.464 1.00 0.00 C ATOM 163 O ASP A 12 -6.026 7.541 8.860 1.00 0.00 O ATOM 164 CB ASP A 12 -4.020 6.587 10.717 1.00 0.00 C ATOM 165 CG ASP A 12 -3.031 7.742 10.893 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.301 8.812 10.373 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.021 7.537 11.545 1.00 0.00 O ATOM 0 H ASP A 12 -2.111 6.978 9.076 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.564 5.214 9.108 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.007 6.885 11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.709 5.735 11.321 1.00 0.00 H new ATOM 172 N LYS A 13 -4.437 7.650 7.358 1.00 0.00 N ATOM 173 CA LYS A 13 -5.216 8.627 6.551 1.00 0.00 C ATOM 174 C LYS A 13 -6.637 8.106 6.316 1.00 0.00 C ATOM 175 O LYS A 13 -7.583 8.864 6.241 1.00 0.00 O ATOM 176 CB LYS A 13 -4.452 8.730 5.237 1.00 0.00 C ATOM 177 CG LYS A 13 -3.210 9.595 5.445 1.00 0.00 C ATOM 178 CD LYS A 13 -3.635 11.021 5.804 1.00 0.00 C ATOM 179 CE LYS A 13 -2.668 12.019 5.165 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.701 13.211 6.057 1.00 0.00 N ATOM 0 H LYS A 13 -3.527 7.395 6.975 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.317 9.594 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.165 7.737 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.088 9.165 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.592 9.177 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.603 9.602 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.650 11.208 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.642 11.148 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.662 11.605 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.977 12.275 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.061 13.941 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.670 13.587 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.395 12.938 7.013 1.00 0.00 H new ATOM 194 N THR A 14 -6.792 6.816 6.205 1.00 0.00 N ATOM 195 CA THR A 14 -8.156 6.242 5.981 1.00 0.00 C ATOM 196 C THR A 14 -8.626 5.475 7.221 1.00 0.00 C ATOM 197 O THR A 14 -7.906 5.336 8.190 1.00 0.00 O ATOM 198 CB THR A 14 -8.013 5.299 4.786 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.824 4.540 4.919 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.948 6.119 3.499 1.00 0.00 C ATOM 0 H THR A 14 -6.037 6.132 6.259 1.00 0.00 H new ATOM 0 HA THR A 14 -8.896 7.020 5.793 1.00 0.00 H new ATOM 0 HB THR A 14 -8.870 4.627 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.735 3.935 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.846 5.449 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.862 6.704 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.090 6.790 3.538 1.00 0.00 H new ATOM 208 N LYS A 15 -9.835 4.983 7.197 1.00 0.00 N ATOM 209 CA LYS A 15 -10.365 4.229 8.372 1.00 0.00 C ATOM 210 C LYS A 15 -9.525 2.974 8.623 1.00 0.00 C ATOM 211 O LYS A 15 -9.486 2.451 9.719 1.00 0.00 O ATOM 212 CB LYS A 15 -11.794 3.850 7.986 1.00 0.00 C ATOM 213 CG LYS A 15 -12.775 4.836 8.624 1.00 0.00 C ATOM 214 CD LYS A 15 -13.555 5.563 7.527 1.00 0.00 C ATOM 215 CE LYS A 15 -14.737 6.310 8.150 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.602 6.689 6.997 1.00 0.00 N ATOM 0 H LYS A 15 -10.481 5.070 6.413 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.332 4.818 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.904 3.862 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.014 2.835 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.462 4.306 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.235 5.556 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.903 6.263 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.913 4.848 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.275 5.678 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.403 7.190 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.435 7.206 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.065 7.295 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.910 5.831 6.497 1.00 0.00 H new ATOM 230 N GLN A 16 -8.852 2.488 7.617 1.00 0.00 N ATOM 231 CA GLN A 16 -8.012 1.270 7.800 1.00 0.00 C ATOM 232 C GLN A 16 -6.536 1.669 7.871 1.00 0.00 C ATOM 233 O GLN A 16 -5.826 1.587 6.891 1.00 0.00 O ATOM 234 CB GLN A 16 -8.279 0.415 6.560 1.00 0.00 C ATOM 235 CG GLN A 16 -9.697 -0.152 6.628 1.00 0.00 C ATOM 236 CD GLN A 16 -9.701 -1.586 6.096 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.761 -2.410 6.472 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -10.567 -1.961 5.330 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.847 2.881 6.676 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.246 0.733 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.159 1.015 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.554 -0.397 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.058 -0.134 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.376 0.467 6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.302 -1.317 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.559 -2.919 4.981 1.00 0.00 H new ATOM 247 N PRO A 17 -6.130 2.100 9.036 1.00 0.00 N ATOM 248 CA PRO A 17 -4.724 2.538 9.245 1.00 0.00 C ATOM 249 C PRO A 17 -3.752 1.361 9.130 1.00 0.00 C ATOM 250 O PRO A 17 -4.050 0.252 9.526 1.00 0.00 O ATOM 251 CB PRO A 17 -4.735 3.106 10.663 1.00 0.00 C ATOM 252 CG PRO A 17 -5.892 2.437 11.330 1.00 0.00 C ATOM 253 CD PRO A 17 -6.927 2.216 10.260 1.00 0.00 C ATOM 0 HA PRO A 17 -4.392 3.261 8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.801 2.893 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.855 4.189 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.588 1.491 11.778 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.290 3.057 12.133 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.511 1.315 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.631 3.046 10.204 1.00 0.00 H new ATOM 261 N VAL A 18 -2.591 1.601 8.583 1.00 0.00 N ATOM 262 CA VAL A 18 -1.592 0.514 8.429 1.00 0.00 C ATOM 263 C VAL A 18 -0.209 0.997 8.876 1.00 0.00 C ATOM 264 O VAL A 18 0.199 2.101 8.580 1.00 0.00 O ATOM 265 CB VAL A 18 -1.589 0.210 6.934 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.344 -0.599 6.589 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.841 -0.592 6.574 1.00 0.00 C ATOM 0 H VAL A 18 -2.293 2.512 8.235 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.831 -0.362 9.032 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.585 1.142 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.337 -0.819 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.546 -0.025 6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.349 -1.533 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.839 -0.809 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.848 -1.527 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.729 -0.012 6.825 1.00 0.00 H new ATOM 277 N VAL A 19 0.514 0.175 9.584 1.00 0.00 N ATOM 278 CA VAL A 19 1.871 0.584 10.045 1.00 0.00 C ATOM 279 C VAL A 19 2.917 0.218 8.989 1.00 0.00 C ATOM 280 O VAL A 19 3.010 -0.916 8.564 1.00 0.00 O ATOM 281 CB VAL A 19 2.105 -0.212 11.328 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.519 0.055 11.846 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.085 0.215 12.386 1.00 0.00 C ATOM 0 H VAL A 19 0.224 -0.762 9.864 1.00 0.00 H new ATOM 0 HA VAL A 19 1.948 1.659 10.211 1.00 0.00 H new ATOM 0 HB VAL A 19 1.990 -1.276 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.685 -0.513 12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.246 -0.250 11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.636 1.119 12.053 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.251 -0.352 13.302 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.199 1.279 12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.077 0.023 12.018 1.00 0.00 H new ATOM 293 N PHE A 20 3.711 1.164 8.564 1.00 0.00 N ATOM 294 CA PHE A 20 4.748 0.850 7.540 1.00 0.00 C ATOM 295 C PHE A 20 6.136 0.836 8.180 1.00 0.00 C ATOM 296 O PHE A 20 6.638 1.852 8.619 1.00 0.00 O ATOM 297 CB PHE A 20 4.653 1.965 6.496 1.00 0.00 C ATOM 298 CG PHE A 20 5.763 1.784 5.487 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.732 0.694 4.613 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.821 2.701 5.423 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.755 0.517 3.675 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.844 2.523 4.485 1.00 0.00 C ATOM 303 CZ PHE A 20 7.811 1.432 3.611 1.00 0.00 C ATOM 0 H PHE A 20 3.687 2.134 8.879 1.00 0.00 H new ATOM 0 HA PHE A 20 4.589 -0.131 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.683 1.935 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.735 2.940 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.917 -0.013 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.847 3.544 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.729 -0.326 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.660 3.229 4.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.601 1.296 2.887 1.00 0.00 H new ATOM 313 N ASN A 21 6.760 -0.307 8.234 1.00 0.00 N ATOM 314 CA ASN A 21 8.110 -0.392 8.840 1.00 0.00 C ATOM 315 C ASN A 21 9.176 -0.131 7.773 1.00 0.00 C ATOM 316 O ASN A 21 9.518 -1.005 7.001 1.00 0.00 O ATOM 317 CB ASN A 21 8.200 -1.828 9.341 1.00 0.00 C ATOM 318 CG ASN A 21 8.291 -1.846 10.868 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.300 -1.380 11.575 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 9.275 -2.294 11.423 1.00 0.00 N flip ATOM 0 H ASN A 21 6.388 -1.189 7.881 1.00 0.00 H new ATOM 0 HA ASN A 21 8.269 0.338 9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.326 -2.391 9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.074 -2.318 8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.051 -2.659 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.325 -2.305 12.442 1.00 0.00 H new ATOM 327 N HIS A 22 9.705 1.060 7.720 1.00 0.00 N ATOM 328 CA HIS A 22 10.746 1.359 6.696 1.00 0.00 C ATOM 329 C HIS A 22 11.822 0.272 6.723 1.00 0.00 C ATOM 330 O HIS A 22 12.369 -0.098 5.703 1.00 0.00 O ATOM 331 CB HIS A 22 11.339 2.706 7.105 1.00 0.00 C ATOM 332 CG HIS A 22 10.560 3.827 6.469 1.00 0.00 C ATOM 333 ND1 HIS A 22 10.497 4.293 5.175 1.00 0.00 N flip ATOM 334 CD2 HIS A 22 9.736 4.661 7.209 1.00 0.00 C flip ATOM 335 CE1 HIS A 22 9.660 5.404 5.121 1.00 0.00 C flip ATOM 336 NE2 HIS A 22 9.228 5.580 6.371 1.00 0.00 N flip ATOM 0 H HIS A 22 9.464 1.835 8.337 1.00 0.00 H new ATOM 0 HA HIS A 22 10.338 1.390 5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.318 2.807 8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.384 2.760 6.800 1.00 0.00 H new ATOM 0 HD1 HIS A 22 10.988 3.887 4.379 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.538 4.586 8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.413 5.997 4.253 1.00 0.00 H new ATOM 344 N SER A 23 12.126 -0.248 7.882 1.00 0.00 N ATOM 345 CA SER A 23 13.162 -1.317 7.967 1.00 0.00 C ATOM 346 C SER A 23 12.862 -2.406 6.938 1.00 0.00 C ATOM 347 O SER A 23 13.741 -2.877 6.243 1.00 0.00 O ATOM 348 CB SER A 23 13.047 -1.871 9.387 1.00 0.00 C ATOM 349 OG SER A 23 11.694 -2.223 9.645 1.00 0.00 O ATOM 0 H SER A 23 11.703 0.020 8.771 1.00 0.00 H new ATOM 0 HA SER A 23 14.166 -0.945 7.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.690 -2.743 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.385 -1.127 10.109 1.00 0.00 H new ATOM 0 HG SER A 23 11.163 -1.409 9.776 1.00 0.00 H new ATOM 355 N THR A 24 11.624 -2.802 6.827 1.00 0.00 N ATOM 356 CA THR A 24 11.265 -3.852 5.833 1.00 0.00 C ATOM 357 C THR A 24 11.409 -3.288 4.420 1.00 0.00 C ATOM 358 O THR A 24 11.327 -4.003 3.441 1.00 0.00 O ATOM 359 CB THR A 24 9.803 -4.200 6.125 1.00 0.00 C ATOM 360 OG1 THR A 24 9.348 -3.439 7.234 1.00 0.00 O ATOM 361 CG2 THR A 24 9.685 -5.690 6.444 1.00 0.00 C ATOM 0 H THR A 24 10.846 -2.444 7.381 1.00 0.00 H new ATOM 0 HA THR A 24 11.908 -4.730 5.902 1.00 0.00 H new ATOM 0 HB THR A 24 9.194 -3.969 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.036 -2.563 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.644 -5.936 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.033 -6.273 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.294 -5.925 7.317 1.00 0.00 H new ATOM 369 N HIS A 25 11.611 -2.005 4.312 1.00 0.00 N ATOM 370 CA HIS A 25 11.745 -1.380 2.975 1.00 0.00 C ATOM 371 C HIS A 25 13.102 -0.686 2.841 1.00 0.00 C ATOM 372 O HIS A 25 13.467 -0.220 1.780 1.00 0.00 O ATOM 373 CB HIS A 25 10.600 -0.380 2.938 1.00 0.00 C ATOM 374 CG HIS A 25 9.323 -1.124 3.201 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.853 -1.348 4.487 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.428 -1.734 2.362 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.721 -2.067 4.382 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.420 -2.330 3.110 1.00 0.00 N ATOM 0 H HIS A 25 11.689 -1.362 5.100 1.00 0.00 H new ATOM 0 HA HIS A 25 11.700 -2.096 2.154 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.749 0.397 3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.559 0.116 1.968 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.286 -1.027 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.496 -1.749 1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.129 -2.391 5.225 1.00 0.00 H new ATOM 386 N LYS A 26 13.859 -0.626 3.902 1.00 0.00 N ATOM 387 CA LYS A 26 15.196 0.024 3.819 1.00 0.00 C ATOM 388 C LYS A 26 15.968 -0.555 2.633 1.00 0.00 C ATOM 389 O LYS A 26 16.855 0.071 2.086 1.00 0.00 O ATOM 390 CB LYS A 26 15.891 -0.319 5.137 1.00 0.00 C ATOM 391 CG LYS A 26 16.278 -1.799 5.141 1.00 0.00 C ATOM 392 CD LYS A 26 16.926 -2.155 6.481 1.00 0.00 C ATOM 393 CE LYS A 26 18.399 -1.737 6.462 1.00 0.00 C ATOM 394 NZ LYS A 26 19.161 -3.012 6.566 1.00 0.00 N ATOM 0 H LYS A 26 13.610 -0.997 4.819 1.00 0.00 H new ATOM 0 HA LYS A 26 15.132 1.102 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.779 0.300 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.229 -0.103 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.395 -2.417 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.969 -2.007 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.404 -1.651 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.843 -3.226 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.646 -1.203 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.631 -1.069 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.181 -2.808 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.910 -3.495 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.925 -3.624 5.759 1.00 0.00 H new ATOM 408 N ALA A 27 15.626 -1.748 2.227 1.00 0.00 N ATOM 409 CA ALA A 27 16.324 -2.376 1.069 1.00 0.00 C ATOM 410 C ALA A 27 15.553 -2.082 -0.220 1.00 0.00 C ATOM 411 O ALA A 27 15.981 -2.425 -1.304 1.00 0.00 O ATOM 412 CB ALA A 27 16.322 -3.876 1.369 1.00 0.00 C ATOM 0 H ALA A 27 14.891 -2.316 2.649 1.00 0.00 H new ATOM 0 HA ALA A 27 17.336 -1.994 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.820 -4.410 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.850 -4.061 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.294 -4.228 1.457 1.00 0.00 H new ATOM 418 N VAL A 28 14.422 -1.439 -0.108 1.00 0.00 N ATOM 419 CA VAL A 28 13.626 -1.109 -1.321 1.00 0.00 C ATOM 420 C VAL A 28 14.190 0.153 -1.960 1.00 0.00 C ATOM 421 O VAL A 28 15.118 0.751 -1.452 1.00 0.00 O ATOM 422 CB VAL A 28 12.202 -0.875 -0.812 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.368 -0.172 -1.883 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.557 -2.219 -0.469 1.00 0.00 C ATOM 0 H VAL A 28 14.016 -1.128 0.774 1.00 0.00 H new ATOM 0 HA VAL A 28 13.652 -1.896 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 28 12.242 -0.246 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.357 -0.011 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.822 0.789 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.329 -0.792 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.543 -2.054 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.526 -2.846 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.142 -2.717 0.304 1.00 0.00 H new ATOM 434 N LYS A 29 13.649 0.569 -3.062 1.00 0.00 N ATOM 435 CA LYS A 29 14.177 1.796 -3.703 1.00 0.00 C ATOM 436 C LYS A 29 13.427 3.015 -3.196 1.00 0.00 C ATOM 437 O LYS A 29 12.301 3.273 -3.569 1.00 0.00 O ATOM 438 CB LYS A 29 13.949 1.624 -5.193 1.00 0.00 C ATOM 439 CG LYS A 29 15.298 1.535 -5.901 1.00 0.00 C ATOM 440 CD LYS A 29 15.688 0.066 -6.079 1.00 0.00 C ATOM 441 CE LYS A 29 17.057 -0.180 -5.443 1.00 0.00 C ATOM 442 NZ LYS A 29 17.439 -1.553 -5.875 1.00 0.00 N ATOM 0 H LYS A 29 12.871 0.118 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 29 15.233 1.942 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.366 0.723 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.374 2.464 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.244 2.028 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.060 2.056 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.940 -0.578 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.717 -0.188 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.787 0.557 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.007 -0.107 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.369 -1.796 -5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.730 -2.234 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.485 -1.590 -6.913 1.00 0.00 H new ATOM 456 N CYS A 30 14.052 3.765 -2.354 1.00 0.00 N ATOM 457 CA CYS A 30 13.392 4.989 -1.817 1.00 0.00 C ATOM 458 C CYS A 30 12.750 5.760 -2.971 1.00 0.00 C ATOM 459 O CYS A 30 11.817 6.516 -2.788 1.00 0.00 O ATOM 460 CB CYS A 30 14.512 5.811 -1.178 1.00 0.00 C ATOM 461 SG CYS A 30 14.926 5.117 0.442 1.00 0.00 S ATOM 0 H CYS A 30 14.995 3.591 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 30 12.609 4.760 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.392 5.808 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.199 6.850 -1.071 1.00 0.00 H new ATOM 0 HG CYS A 30 15.880 5.816 0.983 1.00 0.00 H new ATOM 466 N GLY A 31 13.246 5.564 -4.165 1.00 0.00 N ATOM 467 CA GLY A 31 12.672 6.273 -5.342 1.00 0.00 C ATOM 468 C GLY A 31 11.515 5.453 -5.915 1.00 0.00 C ATOM 469 O GLY A 31 10.739 5.934 -6.713 1.00 0.00 O ATOM 0 H GLY A 31 14.026 4.941 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.321 7.262 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.440 6.420 -6.102 1.00 0.00 H new ATOM 473 N ASP A 32 11.379 4.222 -5.509 1.00 0.00 N ATOM 474 CA ASP A 32 10.255 3.400 -6.029 1.00 0.00 C ATOM 475 C ASP A 32 8.983 3.780 -5.272 1.00 0.00 C ATOM 476 O ASP A 32 7.914 3.879 -5.838 1.00 0.00 O ATOM 477 CB ASP A 32 10.660 1.951 -5.761 1.00 0.00 C ATOM 478 CG ASP A 32 10.511 1.140 -7.047 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.577 1.404 -7.786 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.337 0.273 -7.275 1.00 0.00 O ATOM 0 H ASP A 32 11.994 3.753 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 32 10.059 3.552 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.690 1.909 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.036 1.526 -4.975 1.00 0.00 H new ATOM 485 N CYS A 33 9.109 4.040 -3.998 1.00 0.00 N ATOM 486 CA CYS A 33 7.926 4.468 -3.202 1.00 0.00 C ATOM 487 C CYS A 33 7.809 5.988 -3.314 1.00 0.00 C ATOM 488 O CYS A 33 6.820 6.518 -3.778 1.00 0.00 O ATOM 489 CB CYS A 33 8.236 4.052 -1.764 1.00 0.00 C ATOM 490 SG CYS A 33 7.922 2.282 -1.559 1.00 0.00 S ATOM 0 H CYS A 33 9.982 3.974 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 33 6.989 4.026 -3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.276 4.276 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.620 4.623 -1.069 1.00 0.00 H new ATOM 0 HG CYS A 33 8.189 1.933 -0.336 1.00 0.00 H new ATOM 495 N HIS A 34 8.842 6.692 -2.925 1.00 0.00 N ATOM 496 CA HIS A 34 8.828 8.175 -3.041 1.00 0.00 C ATOM 497 C HIS A 34 9.364 8.560 -4.420 1.00 0.00 C ATOM 498 O HIS A 34 10.223 9.410 -4.544 1.00 0.00 O ATOM 499 CB HIS A 34 9.787 8.682 -1.960 1.00 0.00 C ATOM 500 CG HIS A 34 9.223 8.424 -0.588 1.00 0.00 C ATOM 501 ND1 HIS A 34 9.672 7.652 0.453 1.00 0.00 N flip ATOM 502 CD2 HIS A 34 8.060 9.029 -0.134 1.00 0.00 C flip ATOM 503 CE1 HIS A 34 8.811 7.778 1.537 1.00 0.00 C flip ATOM 504 NE2 HIS A 34 7.856 8.616 1.132 1.00 0.00 N flip ATOM 0 H HIS A 34 9.696 6.298 -2.531 1.00 0.00 H new ATOM 0 HA HIS A 34 7.829 8.594 -2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.753 8.186 -2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.961 9.750 -2.093 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.433 9.707 -0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.897 7.299 2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.068 8.908 1.710 1.00 0.00 H new ATOM 512 N HIS A 35 8.888 7.915 -5.453 1.00 0.00 N ATOM 513 CA HIS A 35 9.389 8.219 -6.825 1.00 0.00 C ATOM 514 C HIS A 35 9.726 9.705 -6.968 1.00 0.00 C ATOM 515 O HIS A 35 9.261 10.529 -6.207 1.00 0.00 O ATOM 516 CB HIS A 35 8.261 7.817 -7.772 1.00 0.00 C ATOM 517 CG HIS A 35 6.949 8.305 -7.243 1.00 0.00 C ATOM 518 ND1 HIS A 35 5.956 7.701 -6.503 1.00 0.00 N flip ATOM 519 CD2 HIS A 35 6.517 9.582 -7.493 1.00 0.00 C flip ATOM 520 CE1 HIS A 35 4.915 8.606 -6.305 1.00 0.00 C flip ATOM 521 NE2 HIS A 35 5.311 9.725 -6.923 1.00 0.00 N flip ATOM 0 H HIS A 35 8.173 7.190 -5.405 1.00 0.00 H new ATOM 0 HA HIS A 35 10.308 7.677 -7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.441 8.235 -8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.237 6.733 -7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.052 10.338 -8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.991 8.441 -5.770 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.762 10.584 -6.957 1.00 0.00 H new ATOM 529 N PRO A 36 10.551 9.987 -7.940 1.00 0.00 N ATOM 530 CA PRO A 36 10.999 11.379 -8.191 1.00 0.00 C ATOM 531 C PRO A 36 9.842 12.267 -8.647 1.00 0.00 C ATOM 532 O PRO A 36 9.452 12.263 -9.798 1.00 0.00 O ATOM 533 CB PRO A 36 12.048 11.225 -9.292 1.00 0.00 C ATOM 534 CG PRO A 36 11.699 9.940 -9.968 1.00 0.00 C ATOM 535 CD PRO A 36 11.131 9.044 -8.901 1.00 0.00 C ATOM 0 HA PRO A 36 11.392 11.861 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.016 12.062 -9.990 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.056 11.194 -8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.974 10.104 -10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.580 9.490 -10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.378 8.367 -9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.903 8.426 -8.442 1.00 0.00 H new ATOM 602 N GLU A 41 12.324 13.155 -5.534 1.00 0.00 N ATOM 603 CA GLU A 41 11.458 12.166 -4.825 1.00 0.00 C ATOM 604 C GLU A 41 10.908 12.774 -3.538 1.00 0.00 C ATOM 605 O GLU A 41 11.636 13.004 -2.594 1.00 0.00 O ATOM 606 CB GLU A 41 12.368 10.985 -4.483 1.00 0.00 C ATOM 607 CG GLU A 41 12.647 10.163 -5.742 1.00 0.00 C ATOM 608 CD GLU A 41 13.886 9.293 -5.518 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.023 8.762 -4.429 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.675 9.174 -6.441 1.00 0.00 O ATOM 0 HA GLU A 41 10.611 11.866 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.305 11.347 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.897 10.358 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.787 9.536 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.803 10.824 -6.594 1.00 0.00 H new ATOM 617 N ASP A 42 9.632 13.020 -3.479 1.00 0.00 N ATOM 618 CA ASP A 42 9.063 13.593 -2.230 1.00 0.00 C ATOM 619 C ASP A 42 9.220 12.580 -1.102 1.00 0.00 C ATOM 620 O ASP A 42 8.473 11.627 -0.996 1.00 0.00 O ATOM 621 CB ASP A 42 7.590 13.841 -2.519 1.00 0.00 C ATOM 622 CG ASP A 42 7.445 15.057 -3.436 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.140 15.108 -4.436 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.640 15.919 -3.120 1.00 0.00 O ATOM 0 H ASP A 42 8.964 12.852 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 42 9.564 14.513 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.149 12.963 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.049 14.009 -1.587 1.00 0.00 H new ATOM 629 N TYR A 43 10.193 12.774 -0.268 1.00 0.00 N ATOM 630 CA TYR A 43 10.415 11.819 0.851 1.00 0.00 C ATOM 631 C TYR A 43 9.479 12.149 2.016 1.00 0.00 C ATOM 632 O TYR A 43 9.915 12.460 3.107 1.00 0.00 O ATOM 633 CB TYR A 43 11.876 12.017 1.259 1.00 0.00 C ATOM 634 CG TYR A 43 12.778 11.643 0.107 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.931 10.299 -0.258 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.462 12.641 -0.598 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.769 9.954 -1.326 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.299 12.295 -1.666 1.00 0.00 C ATOM 639 CZ TYR A 43 14.452 10.953 -2.030 1.00 0.00 C ATOM 640 OH TYR A 43 15.277 10.612 -3.083 1.00 0.00 O ATOM 0 H TYR A 43 10.849 13.554 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 43 10.212 10.788 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.047 13.055 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.108 11.403 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.403 9.529 0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.344 13.677 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.888 8.918 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.827 13.065 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 43 15.071 9.700 -3.378 1.00 0.00 H new ATOM 650 N GLN A 44 8.195 12.086 1.793 1.00 0.00 N ATOM 651 CA GLN A 44 7.230 12.398 2.887 1.00 0.00 C ATOM 652 C GLN A 44 6.082 11.386 2.886 1.00 0.00 C ATOM 653 O GLN A 44 5.957 10.576 1.991 1.00 0.00 O ATOM 654 CB GLN A 44 6.713 13.804 2.579 1.00 0.00 C ATOM 655 CG GLN A 44 6.196 13.860 1.139 1.00 0.00 C ATOM 656 CD GLN A 44 6.506 15.233 0.539 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.609 15.995 0.241 1.00 0.00 O ATOM 658 NE2 GLN A 44 7.749 15.581 0.348 1.00 0.00 N ATOM 0 H GLN A 44 7.771 11.832 0.901 1.00 0.00 H new ATOM 0 HA GLN A 44 7.695 12.347 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.915 14.068 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.511 14.534 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.664 13.077 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.122 13.677 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.502 14.940 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.967 16.494 -0.052 1.00 0.00 H new ATOM 667 N LYS A 45 5.244 11.425 3.885 1.00 0.00 N ATOM 668 CA LYS A 45 4.111 10.461 3.944 1.00 0.00 C ATOM 669 C LYS A 45 3.440 10.344 2.574 1.00 0.00 C ATOM 670 O LYS A 45 3.200 11.326 1.899 1.00 0.00 O ATOM 671 CB LYS A 45 3.147 11.042 4.975 1.00 0.00 C ATOM 672 CG LYS A 45 3.505 10.512 6.365 1.00 0.00 C ATOM 673 CD LYS A 45 2.642 11.212 7.417 1.00 0.00 C ATOM 674 CE LYS A 45 3.514 12.162 8.243 1.00 0.00 C ATOM 675 NZ LYS A 45 2.604 12.708 9.288 1.00 0.00 N ATOM 0 H LYS A 45 5.295 12.083 4.663 1.00 0.00 H new ATOM 0 HA LYS A 45 4.437 9.458 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.200 12.131 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.122 10.770 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.346 9.435 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.561 10.686 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.839 11.767 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.173 10.474 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.358 11.636 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.927 12.958 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.130 13.369 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.814 13.209 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.232 11.928 9.866 1.00 0.00 H new ATOM 689 N CYS A 46 3.146 9.144 2.160 1.00 0.00 N ATOM 690 CA CYS A 46 2.499 8.941 0.833 1.00 0.00 C ATOM 691 C CYS A 46 1.269 9.840 0.682 1.00 0.00 C ATOM 692 O CYS A 46 1.039 10.426 -0.356 1.00 0.00 O ATOM 693 CB CYS A 46 2.089 7.470 0.825 1.00 0.00 C ATOM 694 SG CYS A 46 3.565 6.431 0.987 1.00 0.00 S ATOM 0 H CYS A 46 3.327 8.289 2.687 1.00 0.00 H new ATOM 0 HA CYS A 46 3.167 9.192 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.398 7.269 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.564 7.233 -0.100 1.00 0.00 H new ATOM 0 HG CYS A 46 3.247 5.189 0.771 1.00 0.00 H new ATOM 699 N ALA A 47 0.476 9.942 1.707 1.00 0.00 N ATOM 700 CA ALA A 47 -0.747 10.793 1.625 1.00 0.00 C ATOM 701 C ALA A 47 -0.497 12.165 2.247 1.00 0.00 C ATOM 702 O ALA A 47 -1.211 12.596 3.130 1.00 0.00 O ATOM 703 CB ALA A 47 -1.797 10.042 2.429 1.00 0.00 C ATOM 0 H ALA A 47 0.619 9.473 2.602 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.052 10.966 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.732 10.602 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.959 9.059 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.454 9.926 3.457 1.00 0.00 H new ATOM 709 N THR A 48 0.507 12.853 1.797 1.00 0.00 N ATOM 710 CA THR A 48 0.799 14.195 2.364 1.00 0.00 C ATOM 711 C THR A 48 -0.451 15.073 2.311 1.00 0.00 C ATOM 712 O THR A 48 -1.520 14.633 1.934 1.00 0.00 O ATOM 713 CB THR A 48 1.907 14.777 1.483 1.00 0.00 C ATOM 714 OG1 THR A 48 2.630 13.717 0.872 1.00 0.00 O ATOM 715 CG2 THR A 48 2.854 15.617 2.341 1.00 0.00 C ATOM 0 H THR A 48 1.141 12.545 1.059 1.00 0.00 H new ATOM 0 HA THR A 48 1.105 14.141 3.409 1.00 0.00 H new ATOM 0 HB THR A 48 1.466 15.407 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.731 13.900 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.643 16.031 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.298 16.430 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.297 14.990 3.114 1.00 0.00 H new ATOM 723 N ALA A 49 -0.323 16.312 2.687 1.00 0.00 N ATOM 724 CA ALA A 49 -1.501 17.229 2.665 1.00 0.00 C ATOM 725 C ALA A 49 -1.806 17.656 1.232 1.00 0.00 C ATOM 726 O ALA A 49 -1.758 18.821 0.888 1.00 0.00 O ATOM 727 CB ALA A 49 -1.080 18.432 3.498 1.00 0.00 C ATOM 0 H ALA A 49 0.548 16.734 3.010 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.401 16.755 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.895 19.155 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.842 18.108 4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.201 18.896 3.049 1.00 0.00 H new ATOM 733 N GLY A 50 -2.106 16.712 0.398 1.00 0.00 N ATOM 734 CA GLY A 50 -2.410 17.026 -1.028 1.00 0.00 C ATOM 735 C GLY A 50 -1.850 15.900 -1.893 1.00 0.00 C ATOM 736 O GLY A 50 -2.119 15.803 -3.073 1.00 0.00 O ATOM 0 H GLY A 50 -2.156 15.722 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.486 17.120 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.965 17.980 -1.311 1.00 0.00 H new ATOM 740 N CYS A 51 -1.072 15.048 -1.291 1.00 0.00 N ATOM 741 CA CYS A 51 -0.470 13.910 -2.015 1.00 0.00 C ATOM 742 C CYS A 51 -1.524 12.794 -2.162 1.00 0.00 C ATOM 743 O CYS A 51 -2.617 13.042 -2.631 1.00 0.00 O ATOM 744 CB CYS A 51 0.681 13.530 -1.085 1.00 0.00 C ATOM 745 SG CYS A 51 2.254 14.001 -1.842 1.00 0.00 S ATOM 0 H CYS A 51 -0.825 15.099 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.129 14.114 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.565 14.030 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.666 12.458 -0.891 1.00 0.00 H new ATOM 0 HG CYS A 51 3.154 13.104 -1.566 1.00 0.00 H new ATOM 750 N HIS A 52 -1.235 11.583 -1.763 1.00 0.00 N ATOM 751 CA HIS A 52 -2.260 10.507 -1.888 1.00 0.00 C ATOM 752 C HIS A 52 -3.266 10.640 -0.742 1.00 0.00 C ATOM 753 O HIS A 52 -3.527 9.699 -0.020 1.00 0.00 O ATOM 754 CB HIS A 52 -1.484 9.194 -1.758 1.00 0.00 C ATOM 755 CG HIS A 52 -0.692 8.935 -3.001 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.305 8.715 -4.211 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.658 8.853 -3.240 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.341 8.510 -5.128 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.877 8.588 -4.585 1.00 0.00 N ATOM 0 H HIS A 52 -0.343 11.295 -1.360 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.810 10.558 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.817 9.241 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.176 8.371 -1.581 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.310 8.708 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.431 8.976 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.529 8.308 -6.172 1.00 0.00 H new ATOM 767 N ASP A 53 -3.816 11.809 -0.557 1.00 0.00 N ATOM 768 CA ASP A 53 -4.783 12.011 0.560 1.00 0.00 C ATOM 769 C ASP A 53 -6.235 11.924 0.073 1.00 0.00 C ATOM 770 O ASP A 53 -7.126 12.485 0.682 1.00 0.00 O ATOM 771 CB ASP A 53 -4.486 13.417 1.085 1.00 0.00 C ATOM 772 CG ASP A 53 -4.869 14.449 0.022 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.216 14.482 -1.007 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.811 15.189 0.256 1.00 0.00 O ATOM 0 H ASP A 53 -3.638 12.633 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.673 11.242 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.045 13.600 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.428 13.509 1.332 1.00 0.00 H new ATOM 779 N ASN A 54 -6.499 11.226 -0.999 1.00 0.00 N ATOM 780 CA ASN A 54 -7.911 11.125 -1.467 1.00 0.00 C ATOM 781 C ASN A 54 -8.649 10.078 -0.630 1.00 0.00 C ATOM 782 O ASN A 54 -8.423 8.892 -0.762 1.00 0.00 O ATOM 783 CB ASN A 54 -7.826 10.695 -2.931 1.00 0.00 C ATOM 784 CG ASN A 54 -8.909 11.412 -3.738 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.742 10.710 -4.456 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.998 12.623 -3.716 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.810 10.729 -1.563 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.455 12.064 -1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.841 10.932 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.952 9.615 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.347 13.172 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.724 13.091 -4.259 1.00 0.00 H new ATOM 793 N MET A 55 -9.520 10.510 0.241 1.00 0.00 N ATOM 794 CA MET A 55 -10.260 9.544 1.101 1.00 0.00 C ATOM 795 C MET A 55 -11.417 8.908 0.329 1.00 0.00 C ATOM 796 O MET A 55 -12.249 8.225 0.893 1.00 0.00 O ATOM 797 CB MET A 55 -10.790 10.385 2.262 1.00 0.00 C ATOM 798 CG MET A 55 -9.635 11.154 2.905 1.00 0.00 C ATOM 799 SD MET A 55 -8.852 10.122 4.169 1.00 0.00 S ATOM 800 CE MET A 55 -7.643 9.319 3.087 1.00 0.00 C ATOM 0 H MET A 55 -9.751 11.492 0.394 1.00 0.00 H new ATOM 0 HA MET A 55 -9.625 8.725 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.549 11.081 1.904 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.269 9.743 3.001 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.905 11.435 2.146 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.003 12.078 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.857 8.867 3.692 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.138 8.546 2.499 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.205 10.060 2.418 1.00 0.00 H new ATOM 810 N ASP A 56 -11.478 9.119 -0.957 1.00 0.00 N ATOM 811 CA ASP A 56 -12.581 8.516 -1.755 1.00 0.00 C ATOM 812 C ASP A 56 -12.267 7.048 -2.049 1.00 0.00 C ATOM 813 O ASP A 56 -13.097 6.311 -2.544 1.00 0.00 O ATOM 814 CB ASP A 56 -12.624 9.327 -3.051 1.00 0.00 C ATOM 815 CG ASP A 56 -14.078 9.635 -3.414 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.952 8.955 -2.901 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.293 10.543 -4.199 1.00 0.00 O ATOM 0 H ASP A 56 -10.813 9.682 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.536 8.541 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.064 10.254 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.147 8.769 -3.857 1.00 0.00 H new ATOM 822 N LYS A 57 -11.071 6.619 -1.746 1.00 0.00 N ATOM 823 CA LYS A 57 -10.699 5.199 -2.008 1.00 0.00 C ATOM 824 C LYS A 57 -11.225 4.763 -3.378 1.00 0.00 C ATOM 825 O LYS A 57 -11.474 3.597 -3.618 1.00 0.00 O ATOM 826 CB LYS A 57 -11.367 4.400 -0.887 1.00 0.00 C ATOM 827 CG LYS A 57 -11.102 2.907 -1.093 1.00 0.00 C ATOM 828 CD LYS A 57 -12.432 2.174 -1.274 1.00 0.00 C ATOM 829 CE LYS A 57 -12.273 1.080 -2.333 1.00 0.00 C ATOM 830 NZ LYS A 57 -13.542 0.303 -2.275 1.00 0.00 N ATOM 0 H LYS A 57 -10.336 7.190 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.620 5.047 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.980 4.718 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.440 4.592 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.469 2.756 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.564 2.501 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.749 1.736 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.208 2.877 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.117 1.508 -3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.412 0.447 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.510 -0.467 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.660 -0.098 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.343 0.931 -2.488 1.00 0.00 H new ATOM 844 N LYS A 58 -11.395 5.692 -4.279 1.00 0.00 N ATOM 845 CA LYS A 58 -11.903 5.336 -5.636 1.00 0.00 C ATOM 846 C LYS A 58 -11.077 6.041 -6.717 1.00 0.00 C ATOM 847 O LYS A 58 -10.982 5.581 -7.837 1.00 0.00 O ATOM 848 CB LYS A 58 -13.352 5.825 -5.659 1.00 0.00 C ATOM 849 CG LYS A 58 -13.378 7.348 -5.807 1.00 0.00 C ATOM 850 CD LYS A 58 -13.706 7.715 -7.255 1.00 0.00 C ATOM 851 CE LYS A 58 -13.815 9.236 -7.385 1.00 0.00 C ATOM 852 NZ LYS A 58 -14.076 9.481 -8.831 1.00 0.00 N ATOM 0 H LYS A 58 -11.204 6.683 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.832 4.267 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.890 5.360 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.861 5.530 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.121 7.777 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.413 7.768 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.931 7.337 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.642 7.246 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.622 9.628 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.897 9.727 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.163 10.504 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.288 9.103 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.959 9.008 -9.109 1.00 0.00 H new ATOM 866 N ASP A 59 -10.479 7.156 -6.393 1.00 0.00 N ATOM 867 CA ASP A 59 -9.662 7.886 -7.403 1.00 0.00 C ATOM 868 C ASP A 59 -8.615 6.951 -8.014 1.00 0.00 C ATOM 869 O ASP A 59 -7.665 6.558 -7.365 1.00 0.00 O ATOM 870 CB ASP A 59 -8.985 9.017 -6.625 1.00 0.00 C ATOM 871 CG ASP A 59 -7.792 9.548 -7.423 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.993 10.446 -8.225 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.698 9.049 -7.218 1.00 0.00 O ATOM 0 H ASP A 59 -10.521 7.592 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.267 8.265 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.697 9.821 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.652 8.654 -5.652 1.00 0.00 H new ATOM 878 N LYS A 60 -8.779 6.593 -9.258 1.00 0.00 N ATOM 879 CA LYS A 60 -7.793 5.684 -9.908 1.00 0.00 C ATOM 880 C LYS A 60 -6.653 6.501 -10.524 1.00 0.00 C ATOM 881 O LYS A 60 -5.999 6.070 -11.452 1.00 0.00 O ATOM 882 CB LYS A 60 -8.582 4.957 -10.998 1.00 0.00 C ATOM 883 CG LYS A 60 -8.938 3.549 -10.516 1.00 0.00 C ATOM 884 CD LYS A 60 -7.749 2.615 -10.748 1.00 0.00 C ATOM 885 CE LYS A 60 -8.006 1.760 -11.991 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.653 1.453 -12.532 1.00 0.00 N ATOM 0 H LYS A 60 -9.553 6.891 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.342 4.988 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.489 5.512 -11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.992 4.902 -11.913 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.197 3.570 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.813 3.180 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.836 3.196 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.600 1.975 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.547 0.848 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.611 2.297 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.746 0.868 -13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.165 2.340 -12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.102 0.936 -11.817 1.00 0.00 H new ATOM 900 N SER A 61 -6.412 7.679 -10.015 1.00 0.00 N ATOM 901 CA SER A 61 -5.317 8.522 -10.571 1.00 0.00 C ATOM 902 C SER A 61 -4.058 8.393 -9.710 1.00 0.00 C ATOM 903 O SER A 61 -3.866 7.414 -9.017 1.00 0.00 O ATOM 904 CB SER A 61 -5.854 9.952 -10.523 1.00 0.00 C ATOM 905 OG SER A 61 -5.880 10.489 -11.839 1.00 0.00 O ATOM 0 H SER A 61 -6.927 8.093 -9.238 1.00 0.00 H new ATOM 0 HA SER A 61 -5.041 8.223 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.856 9.962 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.225 10.567 -9.879 1.00 0.00 H new ATOM 0 HG SER A 61 -6.226 11.406 -11.812 1.00 0.00 H new ATOM 911 N ALA A 62 -3.198 9.373 -9.751 1.00 0.00 N ATOM 912 CA ALA A 62 -1.949 9.306 -8.938 1.00 0.00 C ATOM 913 C ALA A 62 -2.097 10.140 -7.661 1.00 0.00 C ATOM 914 O ALA A 62 -1.124 10.553 -7.063 1.00 0.00 O ATOM 915 CB ALA A 62 -0.863 9.899 -9.838 1.00 0.00 C ATOM 0 H ALA A 62 -3.305 10.218 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.716 8.288 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.092 9.887 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.783 9.307 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.123 10.926 -10.094 1.00 0.00 H new ATOM 921 N LYS A 63 -3.307 10.396 -7.238 1.00 0.00 N ATOM 922 CA LYS A 63 -3.507 11.209 -6.002 1.00 0.00 C ATOM 923 C LYS A 63 -4.383 10.457 -4.999 1.00 0.00 C ATOM 924 O LYS A 63 -4.572 10.892 -3.880 1.00 0.00 O ATOM 925 CB LYS A 63 -4.220 12.476 -6.472 1.00 0.00 C ATOM 926 CG LYS A 63 -3.715 13.675 -5.668 1.00 0.00 C ATOM 927 CD LYS A 63 -3.090 14.700 -6.616 1.00 0.00 C ATOM 928 CE LYS A 63 -4.129 15.137 -7.651 1.00 0.00 C ATOM 929 NZ LYS A 63 -4.840 16.284 -7.023 1.00 0.00 N ATOM 0 H LYS A 63 -4.163 10.079 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.563 11.425 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.038 12.635 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.297 12.368 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.538 14.129 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.980 13.349 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.736 15.564 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.223 14.268 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.654 15.432 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.818 14.326 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.569 16.639 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.288 15.972 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.160 17.044 -6.818 1.00 0.00 H new ATOM 943 N GLY A 64 -4.924 9.337 -5.387 1.00 0.00 N ATOM 944 CA GLY A 64 -5.787 8.574 -4.453 1.00 0.00 C ATOM 945 C GLY A 64 -4.921 7.858 -3.425 1.00 0.00 C ATOM 946 O GLY A 64 -3.810 7.449 -3.703 1.00 0.00 O ATOM 0 H GLY A 64 -4.804 8.920 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.482 9.248 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.387 7.850 -5.005 1.00 0.00 H new ATOM 950 N TYR A 65 -5.424 7.709 -2.240 1.00 0.00 N ATOM 951 CA TYR A 65 -4.642 7.023 -1.175 1.00 0.00 C ATOM 952 C TYR A 65 -4.843 5.512 -1.252 1.00 0.00 C ATOM 953 O TYR A 65 -4.073 4.748 -0.712 1.00 0.00 O ATOM 954 CB TYR A 65 -5.212 7.550 0.136 1.00 0.00 C ATOM 955 CG TYR A 65 -4.295 7.146 1.263 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.924 7.417 1.180 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.813 6.494 2.387 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.070 7.036 2.223 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.960 6.113 3.428 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.589 6.384 3.347 1.00 0.00 C ATOM 961 OH TYR A 65 -1.748 6.008 4.374 1.00 0.00 O ATOM 0 H TYR A 65 -6.349 8.033 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.573 7.213 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.306 8.635 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.212 7.149 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.525 7.920 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.871 6.285 2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.012 7.245 2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.360 5.609 4.296 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.026 6.450 5.203 1.00 0.00 H new ATOM 971 N TYR A 66 -5.879 5.074 -1.903 1.00 0.00 N ATOM 972 CA TYR A 66 -6.130 3.614 -1.998 1.00 0.00 C ATOM 973 C TYR A 66 -5.623 3.077 -3.341 1.00 0.00 C ATOM 974 O TYR A 66 -5.102 1.983 -3.425 1.00 0.00 O ATOM 975 CB TYR A 66 -7.651 3.491 -1.882 1.00 0.00 C ATOM 976 CG TYR A 66 -8.116 2.222 -2.545 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.118 2.133 -3.939 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.543 1.141 -1.769 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.550 0.956 -4.563 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.975 -0.036 -2.390 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.978 -0.129 -3.788 1.00 0.00 C ATOM 982 OH TYR A 66 -9.403 -1.290 -4.402 1.00 0.00 O ATOM 0 H TYR A 66 -6.564 5.665 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.615 3.037 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.945 3.492 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.131 4.352 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.787 2.971 -4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.540 1.214 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.553 0.885 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.306 -0.872 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.665 -1.944 -3.720 1.00 0.00 H new ATOM 992 N HIS A 67 -5.769 3.835 -4.392 1.00 0.00 N ATOM 993 CA HIS A 67 -5.295 3.363 -5.726 1.00 0.00 C ATOM 994 C HIS A 67 -3.793 3.065 -5.687 1.00 0.00 C ATOM 995 O HIS A 67 -3.372 1.926 -5.738 1.00 0.00 O ATOM 996 CB HIS A 67 -5.582 4.522 -6.681 1.00 0.00 C ATOM 997 CG HIS A 67 -4.752 4.355 -7.922 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.079 3.438 -8.907 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.588 4.954 -8.338 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.128 3.505 -9.855 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.196 4.415 -9.560 1.00 0.00 N ATOM 0 H HIS A 67 -6.196 4.761 -4.386 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.792 2.443 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.641 4.544 -6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.351 5.472 -6.199 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.893 2.824 -8.912 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.058 5.725 -7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.119 2.897 -10.747 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.983 4.084 -5.614 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.507 3.872 -5.592 1.00 0.00 C ATOM 1011 C ALA A 68 -1.121 2.750 -4.621 1.00 0.00 C ATOM 1012 O ALA A 68 -0.050 2.191 -4.711 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.923 5.202 -5.117 1.00 0.00 C ATOM 0 H ALA A 68 -3.280 5.059 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.132 3.576 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.164 5.128 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.205 5.992 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.310 5.436 -4.125 1.00 0.00 H new ATOM 1019 N MET A 69 -1.964 2.429 -3.680 1.00 0.00 N ATOM 1020 CA MET A 69 -1.608 1.358 -2.707 1.00 0.00 C ATOM 1021 C MET A 69 -2.118 -0.010 -3.154 1.00 0.00 C ATOM 1022 O MET A 69 -1.412 -0.993 -3.067 1.00 0.00 O ATOM 1023 CB MET A 69 -2.276 1.785 -1.407 1.00 0.00 C ATOM 1024 CG MET A 69 -1.673 3.113 -0.952 1.00 0.00 C ATOM 1025 SD MET A 69 -0.664 2.851 0.525 1.00 0.00 S ATOM 1026 CE MET A 69 0.679 3.975 0.073 1.00 0.00 C ATOM 0 H MET A 69 -2.879 2.859 -3.542 1.00 0.00 H new ATOM 0 HA MET A 69 -0.528 1.248 -2.609 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.351 1.890 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.131 1.023 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.064 3.539 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.466 3.830 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.512 3.843 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.011 3.756 -0.942 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.325 5.005 0.124 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.331 -0.098 -3.617 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.853 -1.425 -4.041 1.00 0.00 C ATOM 1038 C HIS A 70 -3.638 -1.643 -5.541 1.00 0.00 C ATOM 1039 O HIS A 70 -3.657 -2.757 -6.025 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.345 -1.384 -3.721 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.536 -0.997 -2.283 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.891 0.288 -1.908 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.432 -1.713 -1.118 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.987 0.307 -0.568 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.719 -0.887 -0.037 1.00 0.00 N ATOM 0 H HIS A 70 -3.979 0.683 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.342 -2.241 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.848 -0.669 -4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.796 -2.358 -3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.051 1.077 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.168 -2.758 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.249 1.182 0.009 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.443 -0.589 -6.282 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.239 -0.738 -7.749 1.00 0.00 C ATOM 1055 C ASP A 71 -1.790 -1.123 -8.059 1.00 0.00 C ATOM 1056 O ASP A 71 -0.861 -0.444 -7.671 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.566 0.638 -8.319 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.079 0.851 -8.284 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.648 0.749 -7.209 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.645 1.112 -9.333 1.00 0.00 O ATOM 0 H ASP A 71 -3.416 0.370 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.861 -1.524 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.064 1.413 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.199 0.717 -9.342 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.591 -2.209 -8.759 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.202 -2.637 -9.096 1.00 0.00 C ATOM 1067 C LYS A 72 0.282 -1.925 -10.361 1.00 0.00 C ATOM 1068 O LYS A 72 1.394 -1.441 -10.425 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.295 -4.146 -9.327 1.00 0.00 C ATOM 1070 CG LYS A 72 -0.970 -4.421 -10.672 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.151 -5.930 -10.853 1.00 0.00 C ATOM 1072 CE LYS A 72 -1.793 -6.208 -12.214 1.00 0.00 C ATOM 1073 NZ LYS A 72 -2.049 -7.675 -12.226 1.00 0.00 N ATOM 0 H LYS A 72 -2.330 -2.817 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 72 0.508 -2.391 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.701 -4.588 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.863 -4.613 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.937 -3.920 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.366 -4.016 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.187 -6.433 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.777 -6.330 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.718 -5.645 -12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.132 -5.916 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.489 -7.943 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.150 -8.185 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.687 -7.922 -11.443 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.547 -1.849 -11.364 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.137 -1.159 -12.620 1.00 0.00 C ATOM 1089 C GLY A 73 -0.080 0.345 -12.364 1.00 0.00 C ATOM 1090 O GLY A 73 -0.765 1.122 -13.001 1.00 0.00 O ATOM 0 H GLY A 73 -1.491 -2.235 -11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.837 -1.522 -12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.845 -1.379 -13.419 1.00 0.00 H new ATOM 1094 N THR A 74 0.721 0.760 -11.423 1.00 0.00 N ATOM 1095 CA THR A 74 0.816 2.212 -11.104 1.00 0.00 C ATOM 1096 C THR A 74 2.147 2.795 -11.586 1.00 0.00 C ATOM 1097 O THR A 74 3.104 2.081 -11.814 1.00 0.00 O ATOM 1098 CB THR A 74 0.748 2.270 -9.579 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.475 1.175 -9.037 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.711 2.188 -9.123 1.00 0.00 C ATOM 0 H THR A 74 1.316 0.154 -10.859 1.00 0.00 H new ATOM 0 HA THR A 74 0.028 2.788 -11.590 1.00 0.00 H new ATOM 0 HB THR A 74 1.181 3.208 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.381 1.167 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.755 2.230 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.270 3.025 -9.541 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.148 1.251 -9.468 1.00 0.00 H new ATOM 1108 N LYS A 75 2.214 4.093 -11.729 1.00 0.00 N ATOM 1109 CA LYS A 75 3.482 4.737 -12.179 1.00 0.00 C ATOM 1110 C LYS A 75 4.678 4.036 -11.526 1.00 0.00 C ATOM 1111 O LYS A 75 5.718 3.864 -12.132 1.00 0.00 O ATOM 1112 CB LYS A 75 3.378 6.186 -11.686 1.00 0.00 C ATOM 1113 CG LYS A 75 4.179 7.105 -12.611 1.00 0.00 C ATOM 1114 CD LYS A 75 3.658 6.970 -14.043 1.00 0.00 C ATOM 1115 CE LYS A 75 4.804 6.548 -14.966 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.789 7.542 -16.075 1.00 0.00 N ATOM 0 H LYS A 75 1.442 4.736 -11.553 1.00 0.00 H new ATOM 0 HA LYS A 75 3.623 4.680 -13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.334 6.498 -11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.756 6.261 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.092 8.139 -12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.237 6.845 -12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.856 6.233 -14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.237 7.918 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.759 6.557 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.657 5.535 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.548 7.320 -16.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.870 7.506 -16.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.938 8.496 -15.688 1.00 0.00 H new ATOM 1130 N PHE A 76 4.532 3.627 -10.296 1.00 0.00 N ATOM 1131 CA PHE A 76 5.652 2.929 -9.593 1.00 0.00 C ATOM 1132 C PHE A 76 5.136 1.681 -8.890 1.00 0.00 C ATOM 1133 O PHE A 76 3.950 1.419 -8.872 1.00 0.00 O ATOM 1134 CB PHE A 76 6.156 3.924 -8.556 1.00 0.00 C ATOM 1135 CG PHE A 76 6.525 5.211 -9.240 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.755 5.337 -9.892 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.622 6.280 -9.229 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.083 6.535 -10.535 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.950 7.476 -9.869 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.178 7.604 -10.522 1.00 0.00 C ATOM 0 H PHE A 76 3.683 3.745 -9.743 1.00 0.00 H new ATOM 0 HA PHE A 76 6.433 2.619 -10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.387 4.105 -7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.021 3.515 -8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.451 4.511 -9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.672 6.180 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.032 6.636 -11.040 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.255 8.302 -9.859 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.430 8.530 -11.018 1.00 0.00 H new ATOM 1150 N LYS A 77 6.002 0.915 -8.281 1.00 0.00 N ATOM 1151 CA LYS A 77 5.507 -0.282 -7.567 1.00 0.00 C ATOM 1152 C LYS A 77 4.769 0.171 -6.315 1.00 0.00 C ATOM 1153 O LYS A 77 5.331 0.750 -5.408 1.00 0.00 O ATOM 1154 CB LYS A 77 6.727 -1.123 -7.222 1.00 0.00 C ATOM 1155 CG LYS A 77 7.705 -0.320 -6.368 1.00 0.00 C ATOM 1156 CD LYS A 77 9.003 -1.116 -6.215 1.00 0.00 C ATOM 1157 CE LYS A 77 9.530 -1.508 -7.599 1.00 0.00 C ATOM 1158 NZ LYS A 77 10.875 -2.095 -7.345 1.00 0.00 N ATOM 0 H LYS A 77 7.010 1.067 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 77 4.815 -0.871 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.418 -2.020 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.219 -1.453 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.908 0.644 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.271 -0.116 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.747 -0.520 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.826 -2.009 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.870 -2.227 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.595 -0.641 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.185 -2.627 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.555 -1.333 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.825 -2.736 -6.527 1.00 0.00 H new ATOM 1172 N SER A 78 3.500 -0.065 -6.294 1.00 0.00 N ATOM 1173 CA SER A 78 2.652 0.365 -5.147 1.00 0.00 C ATOM 1174 C SER A 78 2.786 -0.592 -3.961 1.00 0.00 C ATOM 1175 O SER A 78 3.442 -1.611 -4.037 1.00 0.00 O ATOM 1176 CB SER A 78 1.229 0.316 -5.695 1.00 0.00 C ATOM 1177 OG SER A 78 1.103 -0.803 -6.563 1.00 0.00 O ATOM 0 H SER A 78 2.995 -0.549 -7.037 1.00 0.00 H new ATOM 0 HA SER A 78 2.939 1.350 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.513 0.239 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.001 1.236 -6.233 1.00 0.00 H new ATOM 0 HG SER A 78 0.192 -0.836 -6.924 1.00 0.00 H new ATOM 1183 N CYS A 79 2.151 -0.267 -2.866 1.00 0.00 N ATOM 1184 CA CYS A 79 2.218 -1.149 -1.669 1.00 0.00 C ATOM 1185 C CYS A 79 1.724 -2.548 -2.044 1.00 0.00 C ATOM 1186 O CYS A 79 2.473 -3.504 -2.038 1.00 0.00 O ATOM 1187 CB CYS A 79 1.285 -0.491 -0.652 1.00 0.00 C ATOM 1188 SG CYS A 79 1.879 1.184 -0.281 1.00 0.00 S ATOM 0 H CYS A 79 1.587 0.575 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 79 3.227 -1.261 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.270 -0.449 -1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.247 -1.086 0.261 1.00 0.00 H new ATOM 0 HG CYS A 79 0.963 1.834 0.374 1.00 0.00 H new ATOM 1193 N VAL A 80 0.474 -2.666 -2.394 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.066 -3.997 -2.798 1.00 0.00 C ATOM 1195 C VAL A 80 0.545 -4.404 -4.142 1.00 0.00 C ATOM 1196 O VAL A 80 0.716 -5.571 -4.433 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.574 -3.791 -2.933 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.183 -4.955 -3.717 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.214 -3.724 -1.539 1.00 0.00 C ATOM 0 H VAL A 80 -0.198 -1.899 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 80 0.167 -4.783 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.762 -2.857 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.259 -4.806 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.734 -5.000 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.991 -5.889 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.289 -3.577 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.023 -4.655 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.784 -2.892 -0.981 1.00 0.00 H new ATOM 1209 N GLY A 81 0.882 -3.441 -4.960 1.00 0.00 N ATOM 1210 CA GLY A 81 1.491 -3.759 -6.283 1.00 0.00 C ATOM 1211 C GLY A 81 2.875 -4.367 -6.065 1.00 0.00 C ATOM 1212 O GLY A 81 3.254 -5.326 -6.708 1.00 0.00 O ATOM 0 H GLY A 81 0.761 -2.447 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.857 -4.456 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.569 -2.856 -6.888 1.00 0.00 H new ATOM 1216 N CYS A 82 3.628 -3.828 -5.144 1.00 0.00 N ATOM 1217 CA CYS A 82 4.980 -4.390 -4.865 1.00 0.00 C ATOM 1218 C CYS A 82 4.818 -5.632 -4.001 1.00 0.00 C ATOM 1219 O CYS A 82 5.671 -6.496 -3.950 1.00 0.00 O ATOM 1220 CB CYS A 82 5.722 -3.299 -4.092 1.00 0.00 C ATOM 1221 SG CYS A 82 7.506 -3.562 -4.239 1.00 0.00 S ATOM 0 H CYS A 82 3.365 -3.024 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 82 5.519 -4.670 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.455 -2.317 -4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.426 -3.317 -3.043 1.00 0.00 H new ATOM 0 HG CYS A 82 8.137 -2.633 -3.584 1.00 0.00 H new ATOM 1226 N HIS A 83 3.711 -5.715 -3.324 1.00 0.00 N ATOM 1227 CA HIS A 83 3.444 -6.882 -2.451 1.00 0.00 C ATOM 1228 C HIS A 83 3.070 -8.096 -3.309 1.00 0.00 C ATOM 1229 O HIS A 83 3.765 -9.092 -3.321 1.00 0.00 O ATOM 1230 CB HIS A 83 2.283 -6.421 -1.573 1.00 0.00 C ATOM 1231 CG HIS A 83 2.843 -5.728 -0.363 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.139 -5.619 0.825 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.048 -5.108 -0.143 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.918 -4.960 1.699 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.091 -4.626 1.160 1.00 0.00 N ATOM 0 H HIS A 83 2.971 -5.013 -3.340 1.00 0.00 H new ATOM 0 HA HIS A 83 4.302 -7.192 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.633 -5.745 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.674 -7.274 -1.273 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.200 -5.974 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.840 -5.010 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.629 -4.729 2.714 1.00 0.00 H new ATOM 1243 N LEU A 84 1.993 -8.018 -4.044 1.00 0.00 N ATOM 1244 CA LEU A 84 1.606 -9.157 -4.911 1.00 0.00 C ATOM 1245 C LEU A 84 2.806 -9.588 -5.759 1.00 0.00 C ATOM 1246 O LEU A 84 2.877 -10.703 -6.233 1.00 0.00 O ATOM 1247 CB LEU A 84 0.495 -8.592 -5.788 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.719 -9.514 -5.725 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.981 -8.719 -6.063 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.548 -10.656 -6.730 1.00 0.00 C ATOM 0 H LEU A 84 1.368 -7.213 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 84 1.283 -10.036 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.224 -7.592 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.841 -8.498 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.809 -9.927 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.849 -9.377 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.103 -7.908 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.892 -8.304 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.416 -11.314 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.457 -10.245 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.351 -11.223 -6.487 1.00 0.00 H new ATOM 1262 N GLU A 85 3.753 -8.707 -5.944 1.00 0.00 N ATOM 1263 CA GLU A 85 4.955 -9.058 -6.753 1.00 0.00 C ATOM 1264 C GLU A 85 6.040 -9.646 -5.846 1.00 0.00 C ATOM 1265 O GLU A 85 6.673 -10.629 -6.177 1.00 0.00 O ATOM 1266 CB GLU A 85 5.422 -7.737 -7.364 1.00 0.00 C ATOM 1267 CG GLU A 85 5.939 -7.984 -8.783 1.00 0.00 C ATOM 1268 CD GLU A 85 7.413 -7.584 -8.867 1.00 0.00 C ATOM 1269 OE1 GLU A 85 7.678 -6.407 -9.042 1.00 0.00 O ATOM 1270 OE2 GLU A 85 8.252 -8.463 -8.756 1.00 0.00 O ATOM 0 H GLU A 85 3.745 -7.758 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 85 4.739 -9.803 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.599 -7.023 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.209 -7.299 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.821 -9.035 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.354 -7.408 -9.500 1.00 0.00 H new ATOM 1277 N THR A 86 6.253 -9.055 -4.700 1.00 0.00 N ATOM 1278 CA THR A 86 7.291 -9.589 -3.771 1.00 0.00 C ATOM 1279 C THR A 86 6.830 -10.933 -3.197 1.00 0.00 C ATOM 1280 O THR A 86 7.549 -11.589 -2.470 1.00 0.00 O ATOM 1281 CB THR A 86 7.420 -8.529 -2.667 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.367 -7.549 -3.068 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.890 -9.184 -1.363 1.00 0.00 C ATOM 0 H THR A 86 5.755 -8.229 -4.368 1.00 0.00 H new ATOM 0 HA THR A 86 8.247 -9.768 -4.264 1.00 0.00 H new ATOM 0 HB THR A 86 6.449 -8.062 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.904 -6.810 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.979 -8.425 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.166 -9.938 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.860 -9.656 -1.522 1.00 0.00 H new ATOM 1291 N ALA A 87 5.636 -11.350 -3.526 1.00 0.00 N ATOM 1292 CA ALA A 87 5.127 -12.652 -3.007 1.00 0.00 C ATOM 1293 C ALA A 87 4.575 -13.497 -4.160 1.00 0.00 C ATOM 1294 O ALA A 87 3.802 -14.411 -3.955 1.00 0.00 O ATOM 1295 CB ALA A 87 4.007 -12.283 -2.035 1.00 0.00 C ATOM 0 H ALA A 87 4.991 -10.844 -4.133 1.00 0.00 H new ATOM 0 HA ALA A 87 5.909 -13.238 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.580 -13.191 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.410 -11.662 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.231 -11.732 -2.566 1.00 0.00 H new ATOM 1340 N ALA A 92 2.672 -17.458 1.026 1.00 0.00 N ATOM 1341 CA ALA A 92 2.590 -16.903 2.405 1.00 0.00 C ATOM 1342 C ALA A 92 2.830 -15.401 2.340 1.00 0.00 C ATOM 1343 O ALA A 92 2.160 -14.621 2.988 1.00 0.00 O ATOM 1344 CB ALA A 92 3.704 -17.599 3.188 1.00 0.00 C ATOM 0 HA ALA A 92 1.621 -17.066 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.705 -17.239 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.536 -18.676 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.666 -17.379 2.726 1.00 0.00 H new ATOM 1350 N LYS A 93 3.768 -14.994 1.538 1.00 0.00 N ATOM 1351 CA LYS A 93 4.048 -13.547 1.394 1.00 0.00 C ATOM 1352 C LYS A 93 2.865 -12.881 0.695 1.00 0.00 C ATOM 1353 O LYS A 93 2.651 -11.692 0.804 1.00 0.00 O ATOM 1354 CB LYS A 93 5.296 -13.486 0.522 1.00 0.00 C ATOM 1355 CG LYS A 93 6.529 -13.315 1.408 1.00 0.00 C ATOM 1356 CD LYS A 93 7.649 -12.651 0.604 1.00 0.00 C ATOM 1357 CE LYS A 93 8.459 -13.722 -0.128 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.714 -13.037 -0.547 1.00 0.00 N ATOM 0 H LYS A 93 4.356 -15.607 0.973 1.00 0.00 H new ATOM 0 HA LYS A 93 4.196 -13.036 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.384 -14.397 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.222 -12.656 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.283 -12.707 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.860 -14.285 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.227 -11.946 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.298 -12.080 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.671 -14.570 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.914 -14.109 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.323 -13.709 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.482 -12.238 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.215 -12.685 0.294 1.00 0.00 H new ATOM 1372 N LYS A 94 2.088 -13.650 -0.017 1.00 0.00 N ATOM 1373 CA LYS A 94 0.909 -13.065 -0.718 1.00 0.00 C ATOM 1374 C LYS A 94 -0.197 -12.756 0.295 1.00 0.00 C ATOM 1375 O LYS A 94 -0.926 -11.795 0.160 1.00 0.00 O ATOM 1376 CB LYS A 94 0.456 -14.139 -1.706 1.00 0.00 C ATOM 1377 CG LYS A 94 0.754 -13.675 -3.133 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.148 -14.426 -4.114 1.00 0.00 C ATOM 1379 CE LYS A 94 0.717 -15.224 -5.094 1.00 0.00 C ATOM 1380 NZ LYS A 94 -0.251 -16.015 -5.904 1.00 0.00 N ATOM 0 H LYS A 94 2.217 -14.654 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 94 1.148 -12.130 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.972 -15.077 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.611 -14.330 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.588 -12.601 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.801 -13.856 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.815 -15.096 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.778 -13.722 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.312 -14.563 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.415 -15.874 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.266 -16.589 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.798 -16.640 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.898 -15.369 -6.400 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.323 -13.562 1.315 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.376 -13.308 2.340 1.00 0.00 C ATOM 1396 C LYS A 95 -0.917 -12.199 3.289 1.00 0.00 C ATOM 1397 O LYS A 95 -1.706 -11.579 3.973 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.525 -14.634 3.088 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.353 -14.820 4.056 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.868 -14.772 5.496 1.00 0.00 C ATOM 1401 CE LYS A 95 0.134 -14.018 6.373 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.192 -14.428 7.768 1.00 0.00 N ATOM 0 H LYS A 95 0.257 -14.384 1.483 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.320 -12.984 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.467 -14.649 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.557 -15.461 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.141 -15.773 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.390 -14.039 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.840 -14.279 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.011 -15.784 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.160 -14.279 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.038 -12.940 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.454 -13.952 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.173 -14.161 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.085 -15.458 7.861 1.00 0.00 H new ATOM 1416 N GLU A 96 0.361 -11.949 3.326 1.00 0.00 N ATOM 1417 CA GLU A 96 0.900 -10.884 4.218 1.00 0.00 C ATOM 1418 C GLU A 96 1.102 -9.599 3.422 1.00 0.00 C ATOM 1419 O GLU A 96 0.826 -8.508 3.881 1.00 0.00 O ATOM 1420 CB GLU A 96 2.241 -11.434 4.691 1.00 0.00 C ATOM 1421 CG GLU A 96 3.225 -11.471 3.534 1.00 0.00 C ATOM 1422 CD GLU A 96 4.615 -11.827 4.068 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.833 -12.990 4.366 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.436 -10.932 4.170 1.00 0.00 O ATOM 0 H GLU A 96 1.062 -12.441 2.772 1.00 0.00 H new ATOM 0 HA GLU A 96 0.234 -10.646 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.635 -10.812 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.109 -12.436 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.907 -12.205 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.252 -10.504 3.032 1.00 0.00 H new ATOM 1431 N LEU A 97 1.591 -9.735 2.231 1.00 0.00 N ATOM 1432 CA LEU A 97 1.836 -8.544 1.370 1.00 0.00 C ATOM 1433 C LEU A 97 0.531 -8.042 0.748 1.00 0.00 C ATOM 1434 O LEU A 97 0.174 -6.890 0.886 1.00 0.00 O ATOM 1435 CB LEU A 97 2.786 -9.046 0.293 1.00 0.00 C ATOM 1436 CG LEU A 97 4.111 -9.435 0.941 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.145 -9.677 -0.146 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.586 -8.301 1.854 1.00 0.00 C ATOM 0 H LEU A 97 1.836 -10.629 1.806 1.00 0.00 H new ATOM 0 HA LEU A 97 2.247 -7.705 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.352 -9.904 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.947 -8.272 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 97 3.979 -10.342 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.095 -9.955 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.806 -10.482 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.277 -8.767 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.533 -8.579 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.722 -7.393 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.841 -8.122 2.630 1.00 0.00 H new ATOM 1450 N THR A 98 -0.183 -8.882 0.061 1.00 0.00 N ATOM 1451 CA THR A 98 -1.455 -8.423 -0.569 1.00 0.00 C ATOM 1452 C THR A 98 -2.660 -8.784 0.300 1.00 0.00 C ATOM 1453 O THR A 98 -3.760 -8.320 0.072 1.00 0.00 O ATOM 1454 CB THR A 98 -1.527 -9.152 -1.906 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.502 -10.555 -1.682 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.331 -8.748 -2.766 1.00 0.00 C ATOM 0 H THR A 98 0.053 -9.862 -0.094 1.00 0.00 H new ATOM 0 HA THR A 98 -1.473 -7.340 -0.690 1.00 0.00 H new ATOM 0 HB THR A 98 -2.451 -8.885 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.436 -10.732 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.379 -9.267 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.352 -7.672 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.593 -9.016 -2.254 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.471 -9.605 1.293 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.618 -9.979 2.162 1.00 0.00 C ATOM 1466 C GLY A 99 -4.274 -8.707 2.707 1.00 0.00 C ATOM 1467 O GLY A 99 -3.650 -7.906 3.373 1.00 0.00 O ATOM 0 H GLY A 99 -1.577 -10.031 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.344 -10.562 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.276 -10.607 2.985 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.526 -8.509 2.420 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.212 -7.282 2.918 1.00 0.00 C ATOM 1473 C CYS A 100 -6.630 -7.443 4.375 1.00 0.00 C ATOM 1474 O CYS A 100 -6.217 -6.700 5.232 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.470 -7.103 2.070 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.331 -7.991 0.490 1.00 0.00 S ATOM 0 H CYS A 100 -6.105 -9.139 1.865 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.540 -6.427 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.337 -7.468 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.636 -6.042 1.881 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.418 -7.818 -0.202 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.481 -8.378 4.657 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.949 -8.542 6.062 1.00 0.00 C ATOM 1483 C LYS A 101 -7.188 -9.655 6.789 1.00 0.00 C ATOM 1484 O LYS A 101 -7.637 -10.162 7.798 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.426 -8.902 5.941 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.283 -7.718 6.396 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.752 -7.993 6.066 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.646 -7.203 7.024 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.790 -6.742 6.189 1.00 0.00 N ATOM 0 H LYS A 101 -7.875 -9.036 3.984 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.782 -7.636 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.664 -9.161 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.648 -9.779 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.164 -7.560 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.953 -6.805 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.964 -7.708 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.962 -9.059 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.986 -7.826 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.110 -6.360 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.449 -6.192 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.436 -6.146 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.285 -7.566 5.793 1.00 0.00 H new ATOM 1503 N GLY A 102 -6.046 -10.042 6.298 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.280 -11.123 6.985 1.00 0.00 C ATOM 1505 C GLY A 102 -3.815 -11.081 6.552 1.00 0.00 C ATOM 1506 O GLY A 102 -3.216 -12.097 6.261 1.00 0.00 O ATOM 0 H GLY A 102 -5.610 -9.662 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.352 -11.001 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.711 -12.095 6.745 1.00 0.00 H new ATOM 1510 N SER A 103 -3.231 -9.915 6.493 1.00 0.00 N ATOM 1511 CA SER A 103 -1.817 -9.816 6.066 1.00 0.00 C ATOM 1512 C SER A 103 -0.986 -9.025 7.075 1.00 0.00 C ATOM 1513 O SER A 103 -1.247 -9.032 8.262 1.00 0.00 O ATOM 1514 CB SER A 103 -1.891 -9.069 4.749 1.00 0.00 C ATOM 1515 OG SER A 103 -1.946 -7.671 4.999 1.00 0.00 O ATOM 0 H SER A 103 -3.678 -9.028 6.724 1.00 0.00 H new ATOM 0 HA SER A 103 -1.341 -10.793 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.022 -9.305 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.772 -9.384 4.189 1.00 0.00 H new ATOM 0 HG SER A 103 -2.813 -7.320 4.707 1.00 0.00 H new ATOM 1521 N LYS A 104 0.012 -8.338 6.597 1.00 0.00 N ATOM 1522 CA LYS A 104 0.879 -7.528 7.492 1.00 0.00 C ATOM 1523 C LYS A 104 0.477 -6.070 7.376 1.00 0.00 C ATOM 1524 O LYS A 104 0.688 -5.267 8.262 1.00 0.00 O ATOM 1525 CB LYS A 104 2.280 -7.711 6.926 1.00 0.00 C ATOM 1526 CG LYS A 104 2.733 -9.158 7.125 1.00 0.00 C ATOM 1527 CD LYS A 104 3.386 -9.304 8.500 1.00 0.00 C ATOM 1528 CE LYS A 104 4.746 -9.989 8.349 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.425 -9.790 9.660 1.00 0.00 N ATOM 0 H LYS A 104 0.266 -8.304 5.610 1.00 0.00 H new ATOM 0 HA LYS A 104 0.807 -7.823 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.290 -7.460 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.974 -7.032 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.880 -9.832 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.439 -9.440 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.510 -8.324 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.744 -9.888 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.631 -11.049 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.322 -9.548 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.366 -10.233 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.527 -8.772 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.857 -10.226 10.415 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.082 -5.736 6.257 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.493 -4.339 6.005 1.00 0.00 C ATOM 1545 C CYS A 105 -1.820 -4.034 6.705 1.00 0.00 C ATOM 1546 O CYS A 105 -2.068 -2.921 7.122 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.647 -4.281 4.488 1.00 0.00 C ATOM 1548 SG CYS A 105 0.119 -2.765 3.859 1.00 0.00 S ATOM 0 H CYS A 105 -0.275 -6.384 5.493 1.00 0.00 H new ATOM 0 HA CYS A 105 0.220 -3.607 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.180 -5.153 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.703 -4.306 4.218 1.00 0.00 H new ATOM 0 HG CYS A 105 0.961 -2.308 4.737 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.674 -5.010 6.843 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.980 -4.766 7.521 1.00 0.00 C ATOM 1555 C HIS A 106 -4.082 -5.609 8.794 1.00 0.00 C ATOM 1556 O HIS A 106 -4.658 -6.679 8.798 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.037 -5.198 6.505 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.394 -4.036 5.619 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.720 -3.954 4.281 1.00 0.00 N flip ATOM 1560 CD2 HIS A 106 -5.387 -2.732 6.089 1.00 0.00 C flip ATOM 1561 CE1 HIS A 106 -5.889 -2.610 3.931 1.00 0.00 C flip ATOM 1562 NE2 HIS A 106 -5.686 -1.925 5.059 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.525 -5.965 6.517 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.102 -3.725 7.821 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.660 -6.024 5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.926 -5.560 7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.178 -2.421 7.102 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -6.132 -2.212 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.750 -0.909 5.130 1.00 0.00 H new ATOM 1570 N SER A 107 -3.526 -5.137 9.876 1.00 0.00 N ATOM 1571 CA SER A 107 -3.591 -5.912 11.148 1.00 0.00 C ATOM 1572 C SER A 107 -4.938 -5.684 11.837 1.00 0.00 C ATOM 1573 O SER A 107 -5.861 -5.259 11.164 1.00 0.00 O ATOM 1574 CB SER A 107 -2.450 -5.366 12.004 1.00 0.00 C ATOM 1575 OG SER A 107 -1.279 -6.137 11.773 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.022 -5.939 13.028 1.00 0.00 O ATOM 0 H SER A 107 -3.029 -4.248 9.935 1.00 0.00 H new ATOM 0 HA SER A 107 -3.497 -6.985 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.265 -4.320 11.759 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.722 -5.403 13.059 1.00 0.00 H new ATOM 0 HG SER A 107 -0.544 -5.788 12.320 1.00 0.00 H new