USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 727 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 35 SER OG : rot -43:sc= 0.887 USER MOD Single : A 36 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.027) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.32! C(o=-6.3!,f=-18!) USER MOD Single : A 66 SER OG : rot -42:sc= -0.247! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 119:sc= -3.27! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -17! C(o=-17!,f=-18!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 90:sc= -2.13! USER MOD Single : A 111 THR OG1 : rot -91:sc= 0.851 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 110:sc= -4.01! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -2.746 -18.404 -8.689 1.00 0.00 N ATOM 2 CA SER A 35 -2.412 -17.026 -9.146 1.00 0.00 C ATOM 3 C SER A 35 -1.467 -16.358 -8.147 1.00 0.00 C ATOM 4 O SER A 35 -0.271 -16.299 -8.354 1.00 0.00 O ATOM 5 CB SER A 35 -3.745 -16.283 -9.197 1.00 0.00 C ATOM 6 OG SER A 35 -4.676 -16.929 -8.339 1.00 0.00 O ATOM 0 HA SER A 35 -1.911 -17.024 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.609 -15.246 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.126 -16.265 -10.218 1.00 0.00 H new ATOM 0 HG SER A 35 -4.605 -17.900 -8.451 1.00 0.00 H new ATOM 12 N ASN A 36 -1.991 -15.856 -7.063 1.00 0.00 N ATOM 13 CA ASN A 36 -1.121 -15.193 -6.050 1.00 0.00 C ATOM 14 C ASN A 36 -0.419 -13.982 -6.670 1.00 0.00 C ATOM 15 O ASN A 36 -0.785 -12.850 -6.425 1.00 0.00 O ATOM 16 CB ASN A 36 -0.101 -16.260 -5.648 1.00 0.00 C ATOM 17 CG ASN A 36 -0.393 -16.733 -4.222 1.00 0.00 C ATOM 18 OD1 ASN A 36 -0.030 -16.078 -3.267 1.00 0.00 O ATOM 19 ND2 ASN A 36 -1.036 -17.854 -4.038 1.00 0.00 N ATOM 0 H ASN A 36 -2.985 -15.876 -6.834 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.686 -14.827 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.148 -17.102 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.909 -15.854 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.233 -18.179 -3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.341 -18.405 -4.841 1.00 0.00 H new ATOM 26 N ALA A 37 0.591 -14.221 -7.462 1.00 0.00 N ATOM 27 CA ALA A 37 1.338 -13.107 -8.103 1.00 0.00 C ATOM 28 C ALA A 37 0.396 -11.962 -8.489 1.00 0.00 C ATOM 29 O ALA A 37 -0.597 -12.159 -9.162 1.00 0.00 O ATOM 30 CB ALA A 37 1.969 -13.725 -9.351 1.00 0.00 C ATOM 0 H ALA A 37 0.933 -15.154 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 37 2.081 -12.678 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.541 -12.965 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.632 -14.539 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.185 -14.112 -10.002 1.00 0.00 H new ATOM 36 N VAL A 38 0.703 -10.765 -8.071 1.00 0.00 N ATOM 37 CA VAL A 38 -0.167 -9.603 -8.414 1.00 0.00 C ATOM 38 C VAL A 38 0.688 -8.469 -8.984 1.00 0.00 C ATOM 39 O VAL A 38 1.788 -8.226 -8.529 1.00 0.00 O ATOM 40 CB VAL A 38 -0.806 -9.183 -7.088 1.00 0.00 C ATOM 41 CG1 VAL A 38 -1.351 -7.758 -7.208 1.00 0.00 C ATOM 42 CG2 VAL A 38 -1.954 -10.136 -6.754 1.00 0.00 C ATOM 0 H VAL A 38 1.521 -10.540 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.918 -9.848 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.056 -9.219 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.805 -7.461 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.536 -7.076 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.101 -7.721 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.411 -9.839 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.701 -10.097 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.570 -11.152 -6.667 1.00 0.00 H new ATOM 52 N VAL A 39 0.202 -7.771 -9.976 1.00 0.00 N ATOM 53 CA VAL A 39 1.013 -6.664 -10.554 1.00 0.00 C ATOM 54 C VAL A 39 0.439 -5.303 -10.174 1.00 0.00 C ATOM 55 O VAL A 39 -0.740 -5.056 -10.316 1.00 0.00 O ATOM 56 CB VAL A 39 0.954 -6.842 -12.077 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.384 -6.322 -12.616 1.00 0.00 C ATOM 58 CG2 VAL A 39 2.090 -6.039 -12.724 1.00 0.00 C ATOM 0 H VAL A 39 -0.711 -7.918 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 39 2.035 -6.699 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 39 1.055 -7.901 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.416 -6.453 -13.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.202 -6.879 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.487 -5.264 -12.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.052 -6.162 -13.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.977 -4.984 -12.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.049 -6.400 -12.351 1.00 0.00 H new ATOM 68 N LEU A 40 1.277 -4.407 -9.738 1.00 0.00 N ATOM 69 CA LEU A 40 0.816 -3.042 -9.405 1.00 0.00 C ATOM 70 C LEU A 40 1.298 -2.139 -10.536 1.00 0.00 C ATOM 71 O LEU A 40 2.361 -2.354 -11.083 1.00 0.00 O ATOM 72 CB LEU A 40 1.507 -2.698 -8.088 1.00 0.00 C ATOM 73 CG LEU A 40 1.423 -1.192 -7.841 1.00 0.00 C ATOM 74 CD1 LEU A 40 0.111 -0.858 -7.127 1.00 0.00 C ATOM 75 CD2 LEU A 40 2.605 -0.754 -6.973 1.00 0.00 C ATOM 0 H LEU A 40 2.274 -4.569 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.264 -2.936 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.036 -3.238 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.550 -3.014 -8.120 1.00 0.00 H new ATOM 0 HG LEU A 40 1.456 -0.666 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.055 0.217 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.730 -1.169 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.072 -1.383 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.548 0.320 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.572 -1.282 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.539 -0.988 -7.485 1.00 0.00 H new ATOM 87 N VAL A 41 0.544 -1.160 -10.927 1.00 0.00 N ATOM 88 CA VAL A 41 1.014 -0.317 -12.058 1.00 0.00 C ATOM 89 C VAL A 41 0.713 1.164 -11.829 1.00 0.00 C ATOM 90 O VAL A 41 -0.401 1.552 -11.547 1.00 0.00 O ATOM 91 CB VAL A 41 0.247 -0.851 -13.271 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.245 0.179 -14.389 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.905 -2.150 -13.759 1.00 0.00 C ATOM 0 H VAL A 41 -0.359 -0.907 -10.525 1.00 0.00 H new ATOM 0 HA VAL A 41 2.095 -0.374 -12.184 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.784 -1.052 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.304 -0.214 -15.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.234 1.094 -14.040 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.271 0.397 -14.685 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.360 -2.532 -14.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.939 -1.950 -14.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.884 -2.891 -12.960 1.00 0.00 H new ATOM 103 N LEU A 42 1.707 1.991 -11.983 1.00 0.00 N ATOM 104 CA LEU A 42 1.512 3.438 -11.822 1.00 0.00 C ATOM 105 C LEU A 42 2.226 4.159 -12.969 1.00 0.00 C ATOM 106 O LEU A 42 2.706 3.537 -13.896 1.00 0.00 O ATOM 107 CB LEU A 42 2.138 3.791 -10.474 1.00 0.00 C ATOM 108 CG LEU A 42 1.074 3.715 -9.378 1.00 0.00 C ATOM 109 CD1 LEU A 42 1.739 3.888 -8.010 1.00 0.00 C ATOM 110 CD2 LEU A 42 0.046 4.829 -9.586 1.00 0.00 C ATOM 0 H LEU A 42 2.659 1.710 -12.218 1.00 0.00 H new ATOM 0 HA LEU A 42 0.463 3.733 -11.847 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.955 3.105 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.565 4.793 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 42 0.576 2.747 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.982 3.834 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.473 3.096 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.236 4.857 -7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.712 4.775 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.545 5.797 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.428 4.710 -10.560 1.00 0.00 H new ATOM 122 N MET A 43 2.305 5.456 -12.925 1.00 0.00 N ATOM 123 CA MET A 43 2.996 6.188 -14.029 1.00 0.00 C ATOM 124 C MET A 43 4.419 6.576 -13.607 1.00 0.00 C ATOM 125 O MET A 43 4.706 6.760 -12.441 1.00 0.00 O ATOM 126 CB MET A 43 2.140 7.432 -14.277 1.00 0.00 C ATOM 127 CG MET A 43 2.407 8.467 -13.182 1.00 0.00 C ATOM 128 SD MET A 43 1.203 9.811 -13.315 1.00 0.00 S ATOM 129 CE MET A 43 2.296 11.019 -14.104 1.00 0.00 C ATOM 0 H MET A 43 1.926 6.042 -12.181 1.00 0.00 H new ATOM 0 HA MET A 43 3.096 5.580 -14.928 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.370 7.855 -15.255 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.084 7.163 -14.287 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.338 7.999 -12.200 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.419 8.860 -13.278 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.748 11.944 -14.282 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.146 11.221 -13.452 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.653 10.621 -15.054 1.00 0.00 H new ATOM 139 N LYS A 44 5.309 6.692 -14.554 1.00 0.00 N ATOM 140 CA LYS A 44 6.718 7.057 -14.233 1.00 0.00 C ATOM 141 C LYS A 44 6.786 8.263 -13.290 1.00 0.00 C ATOM 142 O LYS A 44 6.868 9.395 -13.723 1.00 0.00 O ATOM 143 CB LYS A 44 7.331 7.410 -15.583 1.00 0.00 C ATOM 144 CG LYS A 44 8.534 6.507 -15.847 1.00 0.00 C ATOM 145 CD LYS A 44 9.769 7.374 -16.093 1.00 0.00 C ATOM 146 CE LYS A 44 10.861 7.011 -15.084 1.00 0.00 C ATOM 147 NZ LYS A 44 12.100 7.645 -15.614 1.00 0.00 N ATOM 0 H LYS A 44 5.118 6.548 -15.546 1.00 0.00 H new ATOM 0 HA LYS A 44 7.240 6.247 -13.724 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.591 7.288 -16.374 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.638 8.456 -15.593 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.702 5.847 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.344 5.871 -16.711 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.134 7.224 -17.109 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.510 8.429 -16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.620 7.386 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.976 5.930 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.895 7.441 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.308 7.264 -16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.963 8.674 -15.678 1.00 0.00 H new ATOM 161 N SER A 45 6.775 8.030 -12.006 1.00 0.00 N ATOM 162 CA SER A 45 6.863 9.165 -11.044 1.00 0.00 C ATOM 163 C SER A 45 8.227 9.851 -11.184 1.00 0.00 C ATOM 164 O SER A 45 8.386 10.783 -11.947 1.00 0.00 O ATOM 165 CB SER A 45 6.721 8.528 -9.662 1.00 0.00 C ATOM 166 OG SER A 45 6.962 9.511 -8.664 1.00 0.00 O ATOM 0 H SER A 45 6.709 7.105 -11.582 1.00 0.00 H new ATOM 0 HA SER A 45 6.099 9.922 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.722 8.110 -9.543 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.426 7.704 -9.555 1.00 0.00 H new ATOM 0 HG SER A 45 6.870 9.106 -7.777 1.00 0.00 H new ATOM 172 N ASP A 46 9.211 9.396 -10.457 1.00 0.00 N ATOM 173 CA ASP A 46 10.560 10.024 -10.557 1.00 0.00 C ATOM 174 C ASP A 46 11.663 9.007 -10.228 1.00 0.00 C ATOM 175 O ASP A 46 12.329 8.494 -11.105 1.00 0.00 O ATOM 176 CB ASP A 46 10.550 11.147 -9.521 1.00 0.00 C ATOM 177 CG ASP A 46 9.718 12.319 -10.046 1.00 0.00 C ATOM 178 OD1 ASP A 46 8.521 12.325 -9.807 1.00 0.00 O ATOM 179 OD2 ASP A 46 10.292 13.191 -10.677 1.00 0.00 O ATOM 0 H ASP A 46 9.140 8.619 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 46 10.763 10.389 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.135 10.785 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.569 11.474 -9.314 1.00 0.00 H new ATOM 184 N GLU A 47 11.871 8.733 -8.969 1.00 0.00 N ATOM 185 CA GLU A 47 12.943 7.770 -8.568 1.00 0.00 C ATOM 186 C GLU A 47 12.369 6.370 -8.355 1.00 0.00 C ATOM 187 O GLU A 47 12.814 5.649 -7.495 1.00 0.00 O ATOM 188 CB GLU A 47 13.489 8.311 -7.242 1.00 0.00 C ATOM 189 CG GLU A 47 13.480 9.842 -7.251 1.00 0.00 C ATOM 190 CD GLU A 47 14.459 10.368 -6.199 1.00 0.00 C ATOM 191 OE1 GLU A 47 14.131 10.301 -5.027 1.00 0.00 O ATOM 192 OE2 GLU A 47 15.521 10.829 -6.586 1.00 0.00 O ATOM 0 H GLU A 47 11.343 9.136 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 47 13.711 7.686 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.884 7.942 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.504 7.947 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.758 10.211 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.475 10.211 -7.044 1.00 0.00 H new ATOM 199 N ILE A 48 11.382 5.979 -9.107 1.00 0.00 N ATOM 200 CA ILE A 48 10.791 4.638 -8.909 1.00 0.00 C ATOM 201 C ILE A 48 11.843 3.554 -8.950 1.00 0.00 C ATOM 202 O ILE A 48 12.093 2.883 -7.973 1.00 0.00 O ATOM 203 CB ILE A 48 9.769 4.465 -9.994 1.00 0.00 C ATOM 204 CG1 ILE A 48 10.146 5.205 -11.276 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.463 5.000 -9.440 1.00 0.00 C ATOM 206 CD1 ILE A 48 9.310 6.469 -11.371 1.00 0.00 C ATOM 0 H ILE A 48 10.961 6.535 -9.851 1.00 0.00 H new ATOM 0 HA ILE A 48 10.329 4.555 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 48 9.696 3.413 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.207 5.453 -11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.971 4.570 -12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.680 4.898 -10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.187 4.435 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.582 6.052 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.568 7.008 -12.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.253 6.205 -11.393 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.508 7.102 -10.506 1.00 0.00 H new ATOM 218 N ASP A 49 12.466 3.372 -10.057 1.00 0.00 N ATOM 219 CA ASP A 49 13.518 2.320 -10.121 1.00 0.00 C ATOM 220 C ASP A 49 14.395 2.423 -8.867 1.00 0.00 C ATOM 221 O ASP A 49 14.796 1.431 -8.288 1.00 0.00 O ATOM 222 CB ASP A 49 14.330 2.626 -11.380 1.00 0.00 C ATOM 223 CG ASP A 49 13.938 1.652 -12.492 1.00 0.00 C ATOM 224 OD1 ASP A 49 13.789 0.477 -12.199 1.00 0.00 O ATOM 225 OD2 ASP A 49 13.793 2.098 -13.618 1.00 0.00 O ATOM 0 H ASP A 49 12.305 3.893 -10.919 1.00 0.00 H new ATOM 0 HA ASP A 49 13.107 1.311 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.150 3.652 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.396 2.541 -11.167 1.00 0.00 H new ATOM 230 N ALA A 50 14.664 3.625 -8.430 1.00 0.00 N ATOM 231 CA ALA A 50 15.489 3.807 -7.204 1.00 0.00 C ATOM 232 C ALA A 50 14.663 3.498 -5.962 1.00 0.00 C ATOM 233 O ALA A 50 15.087 2.749 -5.106 1.00 0.00 O ATOM 234 CB ALA A 50 15.921 5.274 -7.217 1.00 0.00 C ATOM 0 H ALA A 50 14.347 4.488 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 50 16.349 3.137 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.534 5.481 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.499 5.475 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.038 5.913 -7.201 1.00 0.00 H new ATOM 240 N ILE A 51 13.486 4.045 -5.844 1.00 0.00 N ATOM 241 CA ILE A 51 12.685 3.743 -4.667 1.00 0.00 C ATOM 242 C ILE A 51 12.150 2.320 -4.773 1.00 0.00 C ATOM 243 O ILE A 51 12.352 1.550 -3.887 1.00 0.00 O ATOM 244 CB ILE A 51 11.596 4.785 -4.674 1.00 0.00 C ATOM 245 CG1 ILE A 51 10.774 4.684 -5.939 1.00 0.00 C ATOM 246 CG2 ILE A 51 12.215 6.183 -4.570 1.00 0.00 C ATOM 247 CD1 ILE A 51 10.212 6.062 -6.312 1.00 0.00 C ATOM 0 H ILE A 51 13.061 4.683 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 51 13.240 3.780 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 51 10.943 4.612 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.390 4.301 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.958 3.976 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.424 6.933 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.783 6.261 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.879 6.351 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.621 5.979 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.580 6.429 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.034 6.759 -6.474 1.00 0.00 H new ATOM 259 N ILE A 52 11.528 1.926 -5.857 1.00 0.00 N ATOM 260 CA ILE A 52 11.071 0.504 -5.937 1.00 0.00 C ATOM 261 C ILE A 52 12.206 -0.385 -5.462 1.00 0.00 C ATOM 262 O ILE A 52 12.022 -1.359 -4.767 1.00 0.00 O ATOM 263 CB ILE A 52 10.811 0.230 -7.399 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.694 1.132 -7.908 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.401 -1.233 -7.540 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.400 0.783 -7.180 1.00 0.00 C ATOM 0 H ILE A 52 11.321 2.508 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 52 10.184 0.319 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 52 11.708 0.430 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.950 2.178 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.567 1.003 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.207 -1.457 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.204 -1.873 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.498 -1.416 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.596 1.425 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.145 -0.259 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.533 0.934 -6.109 1.00 0.00 H new ATOM 278 N GLU A 53 13.395 -0.035 -5.830 1.00 0.00 N ATOM 279 CA GLU A 53 14.557 -0.835 -5.403 1.00 0.00 C ATOM 280 C GLU A 53 14.688 -0.812 -3.879 1.00 0.00 C ATOM 281 O GLU A 53 14.575 -1.830 -3.224 1.00 0.00 O ATOM 282 CB GLU A 53 15.749 -0.154 -6.059 1.00 0.00 C ATOM 283 CG GLU A 53 17.040 -0.867 -5.650 1.00 0.00 C ATOM 284 CD GLU A 53 18.215 -0.291 -6.440 1.00 0.00 C ATOM 285 OE1 GLU A 53 18.028 0.010 -7.607 1.00 0.00 O ATOM 286 OE2 GLU A 53 19.284 -0.160 -5.865 1.00 0.00 O ATOM 0 H GLU A 53 13.612 0.775 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 53 14.473 -1.883 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.640 -0.173 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.791 0.894 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.212 -0.744 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.952 -1.937 -5.838 1.00 0.00 H new ATOM 293 N ASP A 54 14.924 0.340 -3.308 1.00 0.00 N ATOM 294 CA ASP A 54 15.083 0.411 -1.819 1.00 0.00 C ATOM 295 C ASP A 54 13.728 0.448 -1.115 1.00 0.00 C ATOM 296 O ASP A 54 13.638 0.373 0.095 1.00 0.00 O ATOM 297 CB ASP A 54 15.846 1.703 -1.570 1.00 0.00 C ATOM 298 CG ASP A 54 16.844 1.496 -0.428 1.00 0.00 C ATOM 299 OD1 ASP A 54 16.789 0.451 0.199 1.00 0.00 O ATOM 300 OD2 ASP A 54 17.646 2.387 -0.199 1.00 0.00 O ATOM 0 H ASP A 54 15.013 1.229 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 54 15.603 -0.464 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.371 2.008 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.152 2.505 -1.319 1.00 0.00 H new ATOM 305 N ILE A 55 12.682 0.579 -1.863 1.00 0.00 N ATOM 306 CA ILE A 55 11.323 0.643 -1.270 1.00 0.00 C ATOM 307 C ILE A 55 10.570 -0.660 -1.538 1.00 0.00 C ATOM 308 O ILE A 55 9.743 -1.092 -0.761 1.00 0.00 O ATOM 309 CB ILE A 55 10.662 1.830 -1.985 1.00 0.00 C ATOM 310 CG1 ILE A 55 9.659 2.511 -1.075 1.00 0.00 C ATOM 311 CG2 ILE A 55 9.919 1.348 -3.211 1.00 0.00 C ATOM 312 CD1 ILE A 55 10.386 3.204 0.079 1.00 0.00 C ATOM 0 H ILE A 55 12.707 0.646 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 55 11.331 0.770 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 55 11.449 2.530 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.079 3.240 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.954 1.778 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.453 2.197 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.618 0.863 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.149 0.636 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.658 3.691 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.946 2.465 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.073 3.951 -0.320 1.00 0.00 H new ATOM 324 N VAL A 56 10.825 -1.255 -2.666 1.00 0.00 N ATOM 325 CA VAL A 56 10.099 -2.493 -3.032 1.00 0.00 C ATOM 326 C VAL A 56 11.036 -3.706 -3.186 1.00 0.00 C ATOM 327 O VAL A 56 10.732 -4.780 -2.706 1.00 0.00 O ATOM 328 CB VAL A 56 9.415 -2.120 -4.347 1.00 0.00 C ATOM 329 CG1 VAL A 56 9.140 -3.370 -5.170 1.00 0.00 C ATOM 330 CG2 VAL A 56 8.096 -1.416 -4.023 1.00 0.00 C ATOM 0 H VAL A 56 11.508 -0.934 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 56 9.396 -2.809 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 56 10.063 -1.461 -4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.653 -3.091 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.080 -3.876 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.490 -4.040 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.593 -1.142 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.457 -2.087 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.297 -0.517 -3.440 1.00 0.00 H new ATOM 340 N LEU A 57 12.160 -3.570 -3.848 1.00 0.00 N ATOM 341 CA LEU A 57 13.052 -4.760 -3.998 1.00 0.00 C ATOM 342 C LEU A 57 13.481 -5.239 -2.612 1.00 0.00 C ATOM 343 O LEU A 57 13.591 -6.420 -2.355 1.00 0.00 O ATOM 344 CB LEU A 57 14.247 -4.283 -4.834 1.00 0.00 C ATOM 345 CG LEU A 57 15.499 -5.100 -4.495 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.509 -4.980 -5.636 1.00 0.00 C ATOM 347 CD2 LEU A 57 16.128 -4.560 -3.209 1.00 0.00 C ATOM 0 H LEU A 57 12.492 -2.708 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 57 12.562 -5.601 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.018 -4.381 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.433 -3.226 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 57 15.222 -6.145 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.400 -5.561 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.065 -5.360 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.783 -3.934 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 57 17.018 -5.141 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.404 -3.515 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.411 -4.639 -2.392 1.00 0.00 H new ATOM 359 N LYS A 58 13.704 -4.325 -1.717 1.00 0.00 N ATOM 360 CA LYS A 58 14.103 -4.709 -0.336 1.00 0.00 C ATOM 361 C LYS A 58 12.884 -4.615 0.579 1.00 0.00 C ATOM 362 O LYS A 58 12.625 -5.480 1.392 1.00 0.00 O ATOM 363 CB LYS A 58 15.150 -3.675 0.073 1.00 0.00 C ATOM 364 CG LYS A 58 16.132 -4.302 1.066 1.00 0.00 C ATOM 365 CD LYS A 58 15.577 -4.165 2.486 1.00 0.00 C ATOM 366 CE LYS A 58 16.729 -3.928 3.466 1.00 0.00 C ATOM 367 NZ LYS A 58 16.068 -3.591 4.758 1.00 0.00 N ATOM 0 H LYS A 58 13.627 -3.321 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 58 14.491 -5.726 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.685 -3.318 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.664 -2.810 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.288 -5.353 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.102 -3.811 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.870 -3.337 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.030 -5.067 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.355 -4.815 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.374 -3.117 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.793 -3.414 5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.484 -2.739 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.465 -4.384 5.057 1.00 0.00 H new ATOM 381 N GLY A 59 12.141 -3.552 0.447 1.00 0.00 N ATOM 382 CA GLY A 59 10.932 -3.360 1.297 1.00 0.00 C ATOM 383 C GLY A 59 9.844 -4.371 0.917 1.00 0.00 C ATOM 384 O GLY A 59 9.311 -5.061 1.764 1.00 0.00 O ATOM 0 H GLY A 59 12.321 -2.801 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.196 -3.479 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.552 -2.345 1.176 1.00 0.00 H new ATOM 388 N GLY A 60 9.493 -4.462 -0.340 1.00 0.00 N ATOM 389 CA GLY A 60 8.425 -5.423 -0.734 1.00 0.00 C ATOM 390 C GLY A 60 8.921 -6.862 -0.564 1.00 0.00 C ATOM 391 O GLY A 60 8.213 -7.705 -0.061 1.00 0.00 O ATOM 0 H GLY A 60 9.896 -3.917 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.537 -5.262 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.134 -5.251 -1.770 1.00 0.00 H new ATOM 395 N LYS A 61 10.128 -7.143 -0.981 1.00 0.00 N ATOM 396 CA LYS A 61 10.687 -8.531 -0.869 1.00 0.00 C ATOM 397 C LYS A 61 10.827 -9.014 0.590 1.00 0.00 C ATOM 398 O LYS A 61 11.413 -10.049 0.839 1.00 0.00 O ATOM 399 CB LYS A 61 12.069 -8.433 -1.515 1.00 0.00 C ATOM 400 CG LYS A 61 12.784 -9.781 -1.413 1.00 0.00 C ATOM 401 CD LYS A 61 14.005 -9.781 -2.337 1.00 0.00 C ATOM 402 CE LYS A 61 13.564 -10.105 -3.766 1.00 0.00 C ATOM 403 NZ LYS A 61 14.539 -9.395 -4.639 1.00 0.00 N ATOM 0 H LYS A 61 10.762 -6.463 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 61 10.024 -9.252 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.972 -8.140 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.658 -7.660 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.093 -9.964 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.105 -10.587 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.496 -8.808 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.733 -10.516 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.579 -11.179 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.546 -9.764 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.303 -9.569 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.498 -8.374 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.499 -9.746 -4.444 1.00 0.00 H new ATOM 417 N ALA A 62 10.306 -8.306 1.554 1.00 0.00 N ATOM 418 CA ALA A 62 10.434 -8.773 2.956 1.00 0.00 C ATOM 419 C ALA A 62 9.939 -10.212 3.043 1.00 0.00 C ATOM 420 O ALA A 62 10.684 -11.134 3.311 1.00 0.00 O ATOM 421 CB ALA A 62 9.534 -7.847 3.774 1.00 0.00 C ATOM 0 H ALA A 62 9.800 -7.429 1.429 1.00 0.00 H new ATOM 0 HA ALA A 62 11.462 -8.749 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.577 -8.133 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.875 -6.818 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.507 -7.930 3.418 1.00 0.00 H new ATOM 427 N LYS A 63 8.683 -10.397 2.774 1.00 0.00 N ATOM 428 CA LYS A 63 8.088 -11.764 2.781 1.00 0.00 C ATOM 429 C LYS A 63 8.071 -12.251 1.337 1.00 0.00 C ATOM 430 O LYS A 63 8.004 -13.430 1.047 1.00 0.00 O ATOM 431 CB LYS A 63 6.647 -11.604 3.293 1.00 0.00 C ATOM 432 CG LYS A 63 6.555 -10.493 4.347 1.00 0.00 C ATOM 433 CD LYS A 63 5.172 -9.842 4.277 1.00 0.00 C ATOM 434 CE LYS A 63 5.117 -8.906 3.066 1.00 0.00 C ATOM 435 NZ LYS A 63 4.684 -7.590 3.610 1.00 0.00 N ATOM 0 H LYS A 63 8.029 -9.649 2.545 1.00 0.00 H new ATOM 0 HA LYS A 63 8.640 -12.469 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.985 -11.373 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.304 -12.545 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.726 -10.905 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.330 -9.746 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.400 -10.607 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.973 -9.284 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.091 -8.831 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.416 -9.272 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.624 -6.897 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.751 -7.690 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.374 -7.262 4.316 1.00 0.00 H new ATOM 449 N ASN A 64 8.127 -11.312 0.438 1.00 0.00 N ATOM 450 CA ASN A 64 8.112 -11.618 -1.017 1.00 0.00 C ATOM 451 C ASN A 64 9.410 -12.319 -1.443 1.00 0.00 C ATOM 452 O ASN A 64 10.493 -11.814 -1.226 1.00 0.00 O ATOM 453 CB ASN A 64 8.007 -10.235 -1.653 1.00 0.00 C ATOM 454 CG ASN A 64 6.577 -10.003 -2.145 1.00 0.00 C ATOM 455 OD1 ASN A 64 6.358 -9.299 -3.110 1.00 0.00 O ATOM 456 ND2 ASN A 64 5.584 -10.569 -1.515 1.00 0.00 N ATOM 0 H ASN A 64 8.184 -10.318 0.658 1.00 0.00 H new ATOM 0 HA ASN A 64 7.305 -12.290 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.282 -9.469 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.706 -10.152 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.627 -10.420 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.765 -11.161 -0.704 1.00 0.00 H new ATOM 463 N PRO A 65 9.240 -13.470 -2.032 1.00 0.00 N ATOM 464 CA PRO A 65 10.386 -14.292 -2.507 1.00 0.00 C ATOM 465 C PRO A 65 11.157 -13.601 -3.642 1.00 0.00 C ATOM 466 O PRO A 65 12.368 -13.516 -3.611 1.00 0.00 O ATOM 467 CB PRO A 65 9.697 -15.556 -3.015 1.00 0.00 C ATOM 468 CG PRO A 65 8.322 -15.118 -3.358 1.00 0.00 C ATOM 469 CD PRO A 65 7.964 -14.129 -2.314 1.00 0.00 C ATOM 0 HA PRO A 65 11.129 -14.472 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.211 -15.966 -3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.687 -16.336 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.286 -14.673 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.629 -15.959 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.214 -13.422 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.554 -14.610 -1.426 1.00 0.00 H new ATOM 477 N SER A 66 10.474 -13.106 -4.640 1.00 0.00 N ATOM 478 CA SER A 66 11.177 -12.428 -5.761 1.00 0.00 C ATOM 479 C SER A 66 10.187 -11.630 -6.567 1.00 0.00 C ATOM 480 O SER A 66 9.331 -12.137 -7.264 1.00 0.00 O ATOM 481 CB SER A 66 11.818 -13.531 -6.597 1.00 0.00 C ATOM 482 OG SER A 66 12.452 -14.468 -5.738 1.00 0.00 O ATOM 0 H SER A 66 9.458 -13.143 -4.725 1.00 0.00 H new ATOM 0 HA SER A 66 11.938 -11.732 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.061 -14.030 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.546 -13.103 -7.287 1.00 0.00 H new ATOM 0 HG SER A 66 12.931 -13.990 -5.029 1.00 0.00 H new ATOM 488 N ILE A 67 10.290 -10.369 -6.391 1.00 0.00 N ATOM 489 CA ILE A 67 9.384 -9.413 -7.015 1.00 0.00 C ATOM 490 C ILE A 67 10.017 -8.769 -8.251 1.00 0.00 C ATOM 491 O ILE A 67 11.214 -8.831 -8.451 1.00 0.00 O ATOM 492 CB ILE A 67 9.215 -8.428 -5.872 1.00 0.00 C ATOM 493 CG1 ILE A 67 8.205 -8.983 -4.853 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.734 -7.077 -6.400 1.00 0.00 C ATOM 495 CD1 ILE A 67 8.371 -10.503 -4.717 1.00 0.00 C ATOM 0 H ILE A 67 11.007 -9.939 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 67 8.451 -9.831 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 67 10.179 -8.287 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.354 -8.505 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.189 -8.748 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.618 -6.382 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.465 -6.681 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.776 -7.204 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.651 -10.884 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.199 -10.976 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.382 -10.730 -4.377 1.00 0.00 H new ATOM 507 N VAL A 68 9.223 -8.152 -9.085 1.00 0.00 N ATOM 508 CA VAL A 68 9.791 -7.509 -10.309 1.00 0.00 C ATOM 509 C VAL A 68 9.522 -6.000 -10.309 1.00 0.00 C ATOM 510 O VAL A 68 8.639 -5.515 -9.629 1.00 0.00 O ATOM 511 CB VAL A 68 9.099 -8.195 -11.498 1.00 0.00 C ATOM 512 CG1 VAL A 68 7.830 -7.434 -11.896 1.00 0.00 C ATOM 513 CG2 VAL A 68 10.056 -8.219 -12.692 1.00 0.00 C ATOM 0 H VAL A 68 8.213 -8.065 -8.975 1.00 0.00 H new ATOM 0 HA VAL A 68 10.874 -7.625 -10.358 1.00 0.00 H new ATOM 0 HB VAL A 68 8.828 -9.210 -11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.355 -7.935 -12.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.140 -7.410 -11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.091 -6.415 -12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.570 -8.705 -13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.324 -7.198 -12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.957 -8.771 -12.425 1.00 0.00 H new ATOM 523 N VAL A 69 10.268 -5.261 -11.085 1.00 0.00 N ATOM 524 CA VAL A 69 10.049 -3.789 -11.151 1.00 0.00 C ATOM 525 C VAL A 69 10.027 -3.339 -12.612 1.00 0.00 C ATOM 526 O VAL A 69 11.043 -3.306 -13.278 1.00 0.00 O ATOM 527 CB VAL A 69 11.233 -3.166 -10.415 1.00 0.00 C ATOM 528 CG1 VAL A 69 11.117 -1.639 -10.464 1.00 0.00 C ATOM 529 CG2 VAL A 69 11.221 -3.634 -8.958 1.00 0.00 C ATOM 0 H VAL A 69 11.020 -5.614 -11.676 1.00 0.00 H new ATOM 0 HA VAL A 69 9.101 -3.491 -10.703 1.00 0.00 H new ATOM 0 HB VAL A 69 12.165 -3.473 -10.890 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.962 -1.193 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.119 -1.307 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.188 -1.329 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.064 -3.192 -8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.290 -3.323 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.300 -4.721 -8.924 1.00 0.00 H new ATOM 539 N GLU A 70 8.875 -3.003 -13.117 1.00 0.00 N ATOM 540 CA GLU A 70 8.784 -2.568 -14.538 1.00 0.00 C ATOM 541 C GLU A 70 8.862 -1.040 -14.639 1.00 0.00 C ATOM 542 O GLU A 70 8.098 -0.324 -14.026 1.00 0.00 O ATOM 543 CB GLU A 70 7.418 -3.061 -15.019 1.00 0.00 C ATOM 544 CG GLU A 70 7.137 -4.465 -14.484 1.00 0.00 C ATOM 545 CD GLU A 70 8.192 -5.438 -15.010 1.00 0.00 C ATOM 546 OE1 GLU A 70 9.368 -5.135 -14.881 1.00 0.00 O ATOM 547 OE2 GLU A 70 7.808 -6.471 -15.534 1.00 0.00 O ATOM 0 H GLU A 70 7.991 -3.011 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 70 9.601 -2.968 -15.139 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.639 -2.376 -14.685 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.390 -3.068 -16.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.146 -4.458 -13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.143 -4.790 -14.792 1.00 0.00 H new ATOM 554 N ASP A 71 9.777 -0.536 -15.415 1.00 0.00 N ATOM 555 CA ASP A 71 9.899 0.943 -15.559 1.00 0.00 C ATOM 556 C ASP A 71 10.055 1.313 -17.035 1.00 0.00 C ATOM 557 O ASP A 71 11.008 0.932 -17.686 1.00 0.00 O ATOM 558 CB ASP A 71 11.151 1.333 -14.767 1.00 0.00 C ATOM 559 CG ASP A 71 12.236 0.265 -14.937 1.00 0.00 C ATOM 560 OD1 ASP A 71 12.094 -0.793 -14.347 1.00 0.00 O ATOM 561 OD2 ASP A 71 13.188 0.524 -15.654 1.00 0.00 O ATOM 0 H ASP A 71 10.447 -1.082 -15.957 1.00 0.00 H new ATOM 0 HA ASP A 71 9.017 1.465 -15.189 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.523 2.298 -15.112 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.903 1.445 -13.712 1.00 0.00 H new ATOM 566 N LYS A 72 9.123 2.052 -17.571 1.00 0.00 N ATOM 567 CA LYS A 72 9.216 2.441 -19.008 1.00 0.00 C ATOM 568 C LYS A 72 8.862 3.920 -19.180 1.00 0.00 C ATOM 569 O LYS A 72 8.251 4.527 -18.322 1.00 0.00 O ATOM 570 CB LYS A 72 8.193 1.558 -19.723 1.00 0.00 C ATOM 571 CG LYS A 72 8.849 0.236 -20.129 1.00 0.00 C ATOM 572 CD LYS A 72 8.358 -0.172 -21.519 1.00 0.00 C ATOM 573 CE LYS A 72 9.414 0.198 -22.561 1.00 0.00 C ATOM 574 NZ LYS A 72 9.512 -0.993 -23.449 1.00 0.00 N ATOM 0 H LYS A 72 8.302 2.403 -17.078 1.00 0.00 H new ATOM 0 HA LYS A 72 10.221 2.307 -19.408 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.342 1.367 -19.069 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.809 2.071 -20.605 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.934 0.342 -20.132 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.606 -0.540 -19.404 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.163 -1.244 -21.548 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.417 0.329 -21.746 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.121 1.086 -23.122 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.372 0.420 -22.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.218 -0.815 -24.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.799 -1.821 -22.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.587 -1.176 -23.888 1.00 0.00 H new ATOM 588 N ALA A 73 9.242 4.507 -20.282 1.00 0.00 N ATOM 589 CA ALA A 73 8.928 5.947 -20.506 1.00 0.00 C ATOM 590 C ALA A 73 7.450 6.216 -20.209 1.00 0.00 C ATOM 591 O ALA A 73 6.576 5.852 -20.969 1.00 0.00 O ATOM 592 CB ALA A 73 9.235 6.197 -21.983 1.00 0.00 C ATOM 0 H ALA A 73 9.756 4.052 -21.037 1.00 0.00 H new ATOM 0 HA ALA A 73 9.507 6.603 -19.856 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.028 7.239 -22.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.285 5.980 -22.178 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.611 5.550 -22.599 1.00 0.00 H new ATOM 598 N GLY A 74 7.170 6.852 -19.105 1.00 0.00 N ATOM 599 CA GLY A 74 5.753 7.149 -18.750 1.00 0.00 C ATOM 600 C GLY A 74 5.051 5.862 -18.352 1.00 0.00 C ATOM 601 O GLY A 74 3.917 5.613 -18.710 1.00 0.00 O ATOM 0 H GLY A 74 7.863 7.180 -18.432 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.715 7.865 -17.929 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.243 7.607 -19.597 1.00 0.00 H new ATOM 605 N PHE A 75 5.726 5.053 -17.608 1.00 0.00 N ATOM 606 CA PHE A 75 5.128 3.767 -17.157 1.00 0.00 C ATOM 607 C PHE A 75 5.886 3.221 -15.945 1.00 0.00 C ATOM 608 O PHE A 75 6.955 2.656 -16.069 1.00 0.00 O ATOM 609 CB PHE A 75 5.276 2.816 -18.347 1.00 0.00 C ATOM 610 CG PHE A 75 4.277 3.172 -19.422 1.00 0.00 C ATOM 611 CD1 PHE A 75 2.907 3.018 -19.183 1.00 0.00 C ATOM 612 CD2 PHE A 75 4.723 3.649 -20.661 1.00 0.00 C ATOM 613 CE1 PHE A 75 1.982 3.342 -20.184 1.00 0.00 C ATOM 614 CE2 PHE A 75 3.799 3.973 -21.661 1.00 0.00 C ATOM 615 CZ PHE A 75 2.428 3.820 -21.422 1.00 0.00 C ATOM 0 H PHE A 75 6.679 5.222 -17.285 1.00 0.00 H new ATOM 0 HA PHE A 75 4.088 3.886 -16.855 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.288 2.875 -18.746 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.121 1.787 -18.022 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.563 2.650 -18.228 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.781 3.767 -20.845 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.924 3.223 -20.001 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.143 4.341 -22.616 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.714 4.071 -22.193 1.00 0.00 H new ATOM 625 N TRP A 76 5.333 3.375 -14.778 1.00 0.00 N ATOM 626 CA TRP A 76 6.001 2.857 -13.551 1.00 0.00 C ATOM 627 C TRP A 76 5.269 1.593 -13.091 1.00 0.00 C ATOM 628 O TRP A 76 4.522 1.605 -12.134 1.00 0.00 O ATOM 629 CB TRP A 76 5.851 3.993 -12.536 1.00 0.00 C ATOM 630 CG TRP A 76 6.217 3.526 -11.178 1.00 0.00 C ATOM 631 CD1 TRP A 76 7.148 2.598 -10.904 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.697 3.982 -9.899 1.00 0.00 C ATOM 633 NE1 TRP A 76 7.223 2.438 -9.542 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.340 3.261 -8.875 1.00 0.00 C ATOM 635 CE3 TRP A 76 4.735 4.933 -9.538 1.00 0.00 C ATOM 636 CZ2 TRP A 76 6.041 3.475 -7.531 1.00 0.00 C ATOM 637 CZ3 TRP A 76 4.428 5.158 -8.188 1.00 0.00 C ATOM 638 CH2 TRP A 76 5.078 4.427 -7.184 1.00 0.00 C ATOM 0 H TRP A 76 4.440 3.841 -14.618 1.00 0.00 H new ATOM 0 HA TRP A 76 7.047 2.587 -13.694 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.486 4.831 -12.822 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.824 4.357 -12.537 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.740 2.066 -11.634 1.00 0.00 H new ATOM 0 HE1 TRP A 76 7.857 1.787 -9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 76 4.225 5.498 -10.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.549 2.910 -6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 3.688 5.898 -7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.836 4.599 -6.146 1.00 0.00 H new ATOM 649 N TRP A 77 5.463 0.509 -13.796 1.00 0.00 N ATOM 650 CA TRP A 77 4.763 -0.759 -13.442 1.00 0.00 C ATOM 651 C TRP A 77 5.640 -1.640 -12.542 1.00 0.00 C ATOM 652 O TRP A 77 6.838 -1.726 -12.712 1.00 0.00 O ATOM 653 CB TRP A 77 4.518 -1.451 -14.788 1.00 0.00 C ATOM 654 CG TRP A 77 3.452 -0.725 -15.545 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.220 0.607 -15.476 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.479 -1.259 -16.492 1.00 0.00 C ATOM 657 NE1 TRP A 77 2.160 0.919 -16.304 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.673 -0.193 -16.956 1.00 0.00 C ATOM 659 CE3 TRP A 77 2.215 -2.549 -16.984 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.642 -0.398 -17.871 1.00 0.00 C ATOM 661 CZ3 TRP A 77 1.178 -2.760 -17.909 1.00 0.00 C ATOM 662 CH2 TRP A 77 0.393 -1.685 -18.351 1.00 0.00 C ATOM 0 H TRP A 77 6.080 0.448 -14.606 1.00 0.00 H new ATOM 0 HA TRP A 77 3.842 -0.576 -12.889 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.440 -1.472 -15.370 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.220 -2.487 -14.626 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.774 1.311 -14.872 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.783 1.860 -16.419 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.813 -3.384 -16.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.040 0.433 -18.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.985 -3.755 -18.281 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.403 -1.853 -19.062 1.00 0.00 H new ATOM 673 N ILE A 78 5.046 -2.301 -11.591 1.00 0.00 N ATOM 674 CA ILE A 78 5.836 -3.188 -10.691 1.00 0.00 C ATOM 675 C ILE A 78 4.978 -4.383 -10.271 1.00 0.00 C ATOM 676 O ILE A 78 3.801 -4.251 -10.000 1.00 0.00 O ATOM 677 CB ILE A 78 6.212 -2.311 -9.492 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.518 -1.581 -9.806 1.00 0.00 C ATOM 679 CG2 ILE A 78 6.408 -3.176 -8.242 1.00 0.00 C ATOM 680 CD1 ILE A 78 7.216 -0.135 -10.177 1.00 0.00 C ATOM 0 H ILE A 78 4.045 -2.266 -11.396 1.00 0.00 H new ATOM 0 HA ILE A 78 6.727 -3.595 -11.169 1.00 0.00 H new ATOM 0 HB ILE A 78 5.412 -1.595 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.182 -1.615 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.036 -2.077 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.675 -2.540 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.483 -3.707 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.206 -3.897 -8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.147 0.385 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.568 -0.112 -11.053 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.716 0.358 -9.343 1.00 0.00 H new ATOM 692 N LYS A 79 5.556 -5.552 -10.224 1.00 0.00 N ATOM 693 CA LYS A 79 4.767 -6.750 -9.831 1.00 0.00 C ATOM 694 C LYS A 79 5.305 -7.334 -8.524 1.00 0.00 C ATOM 695 O LYS A 79 6.485 -7.575 -8.376 1.00 0.00 O ATOM 696 CB LYS A 79 4.898 -7.721 -11.023 1.00 0.00 C ATOM 697 CG LYS A 79 5.544 -9.053 -10.606 1.00 0.00 C ATOM 698 CD LYS A 79 5.089 -10.176 -11.549 1.00 0.00 C ATOM 699 CE LYS A 79 5.013 -9.663 -12.991 1.00 0.00 C ATOM 700 NZ LYS A 79 5.174 -10.874 -13.842 1.00 0.00 N ATOM 0 H LYS A 79 6.537 -5.728 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 79 3.718 -6.527 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.912 -7.912 -11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.497 -7.256 -11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.630 -8.963 -10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.268 -9.295 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.784 -11.013 -11.490 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.114 -10.549 -11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.061 -9.169 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.797 -8.933 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.133 -10.602 -14.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.092 -11.319 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.410 -11.548 -13.635 1.00 0.00 H new ATOM 714 N ALA A 80 4.435 -7.571 -7.584 1.00 0.00 N ATOM 715 CA ALA A 80 4.876 -8.147 -6.290 1.00 0.00 C ATOM 716 C ALA A 80 4.361 -9.585 -6.159 1.00 0.00 C ATOM 717 O ALA A 80 3.367 -9.949 -6.756 1.00 0.00 O ATOM 718 CB ALA A 80 4.246 -7.253 -5.224 1.00 0.00 C ATOM 0 H ALA A 80 3.434 -7.389 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 80 5.961 -8.184 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.526 -7.614 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.601 -6.230 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.161 -7.276 -5.325 1.00 0.00 H new ATOM 724 N ASP A 81 5.021 -10.407 -5.388 1.00 0.00 N ATOM 725 CA ASP A 81 4.545 -11.812 -5.236 1.00 0.00 C ATOM 726 C ASP A 81 3.725 -11.954 -3.955 1.00 0.00 C ATOM 727 O ASP A 81 3.862 -12.904 -3.209 1.00 0.00 O ATOM 728 CB ASP A 81 5.811 -12.668 -5.174 1.00 0.00 C ATOM 729 CG ASP A 81 5.633 -13.906 -6.054 1.00 0.00 C ATOM 730 OD1 ASP A 81 4.808 -14.737 -5.716 1.00 0.00 O ATOM 731 OD2 ASP A 81 6.327 -14.003 -7.054 1.00 0.00 O ATOM 0 H ASP A 81 5.862 -10.169 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 81 3.899 -12.119 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.671 -12.089 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.011 -12.966 -4.145 1.00 0.00 H new ATOM 736 N GLY A 82 2.870 -11.009 -3.710 1.00 0.00 N ATOM 737 CA GLY A 82 2.020 -11.049 -2.503 1.00 0.00 C ATOM 738 C GLY A 82 0.981 -9.931 -2.585 1.00 0.00 C ATOM 739 O GLY A 82 0.128 -9.920 -3.451 1.00 0.00 O ATOM 0 H GLY A 82 2.724 -10.196 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.525 -12.017 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.631 -10.929 -1.609 1.00 0.00 H new ATOM 743 N ALA A 83 1.059 -8.981 -1.696 1.00 0.00 N ATOM 744 CA ALA A 83 0.095 -7.845 -1.721 1.00 0.00 C ATOM 745 C ALA A 83 0.848 -6.554 -2.034 1.00 0.00 C ATOM 746 O ALA A 83 2.060 -6.503 -1.959 1.00 0.00 O ATOM 747 CB ALA A 83 -0.502 -7.793 -0.313 1.00 0.00 C ATOM 0 H ALA A 83 1.753 -8.942 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.680 -7.966 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.224 -6.978 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.002 -8.737 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.293 -7.627 0.414 1.00 0.00 H new ATOM 753 N ILE A 84 0.158 -5.507 -2.388 1.00 0.00 N ATOM 754 CA ILE A 84 0.870 -4.238 -2.703 1.00 0.00 C ATOM 755 C ILE A 84 -0.007 -3.025 -2.399 1.00 0.00 C ATOM 756 O ILE A 84 -1.025 -2.808 -3.027 1.00 0.00 O ATOM 757 CB ILE A 84 1.172 -4.308 -4.195 1.00 0.00 C ATOM 758 CG1 ILE A 84 1.830 -3.002 -4.626 1.00 0.00 C ATOM 759 CG2 ILE A 84 -0.125 -4.514 -4.978 1.00 0.00 C ATOM 760 CD1 ILE A 84 3.273 -2.996 -4.137 1.00 0.00 C ATOM 0 H ILE A 84 -0.858 -5.474 -2.472 1.00 0.00 H new ATOM 0 HA ILE A 84 1.773 -4.128 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 84 1.842 -5.144 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.799 -2.903 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.288 -2.152 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.097 -4.563 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.597 -5.445 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.802 -3.681 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.756 -2.066 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.289 -3.077 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.808 -3.840 -4.572 1.00 0.00 H new ATOM 772 N GLU A 85 0.382 -2.231 -1.442 1.00 0.00 N ATOM 773 CA GLU A 85 -0.415 -1.040 -1.102 1.00 0.00 C ATOM 774 C GLU A 85 -0.221 0.047 -2.162 1.00 0.00 C ATOM 775 O GLU A 85 0.788 0.092 -2.839 1.00 0.00 O ATOM 776 CB GLU A 85 0.110 -0.576 0.257 1.00 0.00 C ATOM 777 CG GLU A 85 -0.289 -1.588 1.332 1.00 0.00 C ATOM 778 CD GLU A 85 0.757 -1.591 2.448 1.00 0.00 C ATOM 779 OE1 GLU A 85 1.867 -1.152 2.193 1.00 0.00 O ATOM 780 OE2 GLU A 85 0.431 -2.030 3.539 1.00 0.00 O ATOM 0 H GLU A 85 1.224 -2.364 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.483 -1.256 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.195 -0.474 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.296 0.406 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.268 -1.335 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.373 -2.583 0.896 1.00 0.00 H new ATOM 787 N ILE A 86 -1.176 0.922 -2.316 1.00 0.00 N ATOM 788 CA ILE A 86 -1.047 1.991 -3.323 1.00 0.00 C ATOM 789 C ILE A 86 -2.019 3.143 -3.020 1.00 0.00 C ATOM 790 O ILE A 86 -3.196 2.935 -2.801 1.00 0.00 O ATOM 791 CB ILE A 86 -1.347 1.307 -4.653 1.00 0.00 C ATOM 792 CG1 ILE A 86 -0.669 2.064 -5.768 1.00 0.00 C ATOM 793 CG2 ILE A 86 -2.834 1.319 -4.898 1.00 0.00 C ATOM 794 CD1 ILE A 86 -1.271 3.445 -5.793 1.00 0.00 C ATOM 0 H ILE A 86 -2.043 0.935 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.058 2.449 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.982 0.280 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.407 2.115 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.819 1.560 -6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.050 0.831 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.340 0.786 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.189 2.349 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.808 4.029 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.343 3.371 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.098 3.935 -4.835 1.00 0.00 H new ATOM 806 N ASP A 87 -1.530 4.355 -3.006 1.00 0.00 N ATOM 807 CA ASP A 87 -2.417 5.521 -2.718 1.00 0.00 C ATOM 808 C ASP A 87 -2.261 6.596 -3.784 1.00 0.00 C ATOM 809 O ASP A 87 -1.395 6.529 -4.633 1.00 0.00 O ATOM 810 CB ASP A 87 -1.916 6.088 -1.399 1.00 0.00 C ATOM 811 CG ASP A 87 -1.968 5.012 -0.314 1.00 0.00 C ATOM 812 OD1 ASP A 87 -1.587 3.890 -0.600 1.00 0.00 O ATOM 813 OD2 ASP A 87 -2.384 5.329 0.788 1.00 0.00 O ATOM 0 H ASP A 87 -0.553 4.588 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.463 5.217 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.895 6.451 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.526 6.942 -1.105 1.00 0.00 H new ATOM 818 N ALA A 88 -3.075 7.612 -3.719 1.00 0.00 N ATOM 819 CA ALA A 88 -2.947 8.718 -4.703 1.00 0.00 C ATOM 820 C ALA A 88 -3.420 10.049 -4.101 1.00 0.00 C ATOM 821 O ALA A 88 -2.956 11.104 -4.483 1.00 0.00 O ATOM 822 CB ALA A 88 -3.818 8.326 -5.899 1.00 0.00 C ATOM 0 H ALA A 88 -3.819 7.723 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.907 8.862 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.764 9.105 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.460 7.385 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.852 8.208 -5.573 1.00 0.00 H new ATOM 828 N ALA A 89 -4.340 10.011 -3.171 1.00 0.00 N ATOM 829 CA ALA A 89 -4.841 11.273 -2.555 1.00 0.00 C ATOM 830 C ALA A 89 -3.674 12.220 -2.301 1.00 0.00 C ATOM 831 O ALA A 89 -3.668 13.355 -2.735 1.00 0.00 O ATOM 832 CB ALA A 89 -5.481 10.837 -1.241 1.00 0.00 C ATOM 0 H ALA A 89 -4.766 9.157 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.548 11.803 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.877 11.710 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.292 10.138 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.732 10.351 -0.615 1.00 0.00 H new ATOM 838 N GLU A 90 -2.676 11.750 -1.617 1.00 0.00 N ATOM 839 CA GLU A 90 -1.492 12.611 -1.348 1.00 0.00 C ATOM 840 C GLU A 90 -1.037 13.244 -2.658 1.00 0.00 C ATOM 841 O GLU A 90 -0.986 14.450 -2.796 1.00 0.00 O ATOM 842 CB GLU A 90 -0.421 11.665 -0.807 1.00 0.00 C ATOM 843 CG GLU A 90 0.675 12.476 -0.115 1.00 0.00 C ATOM 844 CD GLU A 90 1.420 11.583 0.877 1.00 0.00 C ATOM 845 OE1 GLU A 90 2.151 10.715 0.428 1.00 0.00 O ATOM 846 OE2 GLU A 90 1.248 11.779 2.068 1.00 0.00 O ATOM 0 H GLU A 90 -2.626 10.807 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.702 13.415 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.865 10.960 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.005 11.078 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.369 12.874 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.238 13.329 0.404 1.00 0.00 H new ATOM 853 N ALA A 91 -0.732 12.435 -3.629 1.00 0.00 N ATOM 854 CA ALA A 91 -0.308 12.984 -4.945 1.00 0.00 C ATOM 855 C ALA A 91 -1.375 13.952 -5.441 1.00 0.00 C ATOM 856 O ALA A 91 -1.090 14.915 -6.116 1.00 0.00 O ATOM 857 CB ALA A 91 -0.201 11.772 -5.870 1.00 0.00 C ATOM 0 H ALA A 91 -0.757 11.417 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 91 0.636 13.527 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.108 12.098 -6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.535 11.074 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.170 11.278 -5.936 1.00 0.00 H new ATOM 863 N GLY A 92 -2.606 13.711 -5.091 1.00 0.00 N ATOM 864 CA GLY A 92 -3.686 14.633 -5.528 1.00 0.00 C ATOM 865 C GLY A 92 -3.449 15.992 -4.879 1.00 0.00 C ATOM 866 O GLY A 92 -3.327 16.998 -5.545 1.00 0.00 O ATOM 0 H GLY A 92 -2.909 12.919 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.689 14.726 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.661 14.240 -5.239 1.00 0.00 H new ATOM 870 N GLU A 93 -3.364 16.022 -3.582 1.00 0.00 N ATOM 871 CA GLU A 93 -3.120 17.315 -2.882 1.00 0.00 C ATOM 872 C GLU A 93 -1.765 17.876 -3.307 1.00 0.00 C ATOM 873 O GLU A 93 -1.460 19.032 -3.091 1.00 0.00 O ATOM 874 CB GLU A 93 -3.123 16.974 -1.391 1.00 0.00 C ATOM 875 CG GLU A 93 -4.270 16.007 -1.092 1.00 0.00 C ATOM 876 CD GLU A 93 -4.808 16.268 0.317 1.00 0.00 C ATOM 877 OE1 GLU A 93 -4.374 17.232 0.925 1.00 0.00 O ATOM 878 OE2 GLU A 93 -5.643 15.499 0.762 1.00 0.00 O ATOM 0 H GLU A 93 -3.453 15.208 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.872 18.068 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.171 16.525 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.235 17.883 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.066 16.134 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.922 14.977 -1.174 1.00 0.00 H new ATOM 885 N LEU A 94 -0.954 17.062 -3.927 1.00 0.00 N ATOM 886 CA LEU A 94 0.377 17.544 -4.387 1.00 0.00 C ATOM 887 C LEU A 94 0.192 18.399 -5.636 1.00 0.00 C ATOM 888 O LEU A 94 0.572 19.553 -5.670 1.00 0.00 O ATOM 889 CB LEU A 94 1.168 16.277 -4.715 1.00 0.00 C ATOM 890 CG LEU A 94 2.594 16.641 -5.136 1.00 0.00 C ATOM 891 CD1 LEU A 94 3.425 15.364 -5.224 1.00 0.00 C ATOM 892 CD2 LEU A 94 2.571 17.323 -6.509 1.00 0.00 C ATOM 0 H LEU A 94 -1.157 16.084 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 94 0.889 18.152 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.194 15.620 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.673 15.727 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 94 3.028 17.321 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.443 15.612 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.442 14.873 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.984 14.693 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.588 17.580 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.140 16.644 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.969 18.230 -6.455 1.00 0.00 H new ATOM 904 N LEU A 95 -0.399 17.847 -6.664 1.00 0.00 N ATOM 905 CA LEU A 95 -0.609 18.659 -7.904 1.00 0.00 C ATOM 906 C LEU A 95 -1.993 19.303 -7.882 1.00 0.00 C ATOM 907 O LEU A 95 -2.172 20.414 -8.342 1.00 0.00 O ATOM 908 CB LEU A 95 -0.461 17.746 -9.134 1.00 0.00 C ATOM 909 CG LEU A 95 -0.347 16.278 -8.750 1.00 0.00 C ATOM 910 CD1 LEU A 95 -1.734 15.744 -8.415 1.00 0.00 C ATOM 911 CD2 LEU A 95 0.227 15.508 -9.934 1.00 0.00 C ATOM 0 H LEU A 95 -0.741 16.887 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 95 0.136 19.453 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.320 17.882 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.423 18.042 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 95 0.305 16.161 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.662 14.692 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.151 16.310 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.383 15.847 -9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.315 14.453 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.435 15.616 -10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.212 15.904 -10.182 1.00 0.00 H new ATOM 923 N GLY A 96 -2.977 18.631 -7.350 1.00 0.00 N ATOM 924 CA GLY A 96 -4.335 19.245 -7.314 1.00 0.00 C ATOM 925 C GLY A 96 -5.200 18.551 -6.265 1.00 0.00 C ATOM 926 O GLY A 96 -5.500 19.108 -5.227 1.00 0.00 O ATOM 0 H GLY A 96 -2.903 17.698 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.256 20.308 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.805 19.164 -8.294 1.00 0.00 H new ATOM 930 N LYS A 97 -5.602 17.339 -6.530 1.00 0.00 N ATOM 931 CA LYS A 97 -6.458 16.593 -5.554 1.00 0.00 C ATOM 932 C LYS A 97 -7.091 15.381 -6.239 1.00 0.00 C ATOM 933 O LYS A 97 -6.879 14.256 -5.831 1.00 0.00 O ATOM 934 CB LYS A 97 -7.550 17.573 -5.118 1.00 0.00 C ATOM 935 CG LYS A 97 -7.422 17.851 -3.618 1.00 0.00 C ATOM 936 CD LYS A 97 -8.598 17.205 -2.882 1.00 0.00 C ATOM 937 CE LYS A 97 -9.115 18.155 -1.798 1.00 0.00 C ATOM 938 NZ LYS A 97 -9.922 17.292 -0.889 1.00 0.00 N ATOM 0 H LYS A 97 -5.376 16.828 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.879 16.232 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.463 18.503 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.534 17.159 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.480 17.453 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.410 18.926 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.397 16.973 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.285 16.262 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.293 18.631 -1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.721 18.953 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.312 17.870 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.701 16.857 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.317 16.546 -0.491 1.00 0.00 H new ATOM 952 N PRO A 98 -7.847 15.656 -7.270 1.00 0.00 N ATOM 953 CA PRO A 98 -8.519 14.577 -8.033 1.00 0.00 C ATOM 954 C PRO A 98 -7.480 13.747 -8.780 1.00 0.00 C ATOM 955 O PRO A 98 -7.745 12.636 -9.196 1.00 0.00 O ATOM 956 CB PRO A 98 -9.430 15.331 -9.001 1.00 0.00 C ATOM 957 CG PRO A 98 -8.800 16.679 -9.142 1.00 0.00 C ATOM 958 CD PRO A 98 -8.142 16.983 -7.822 1.00 0.00 C ATOM 0 HA PRO A 98 -9.074 13.879 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.495 14.821 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.445 15.407 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.069 16.683 -9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.548 17.433 -9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.235 17.574 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.801 17.552 -7.167 1.00 0.00 H new ATOM 966 N PHE A 99 -6.291 14.262 -8.940 1.00 0.00 N ATOM 967 CA PHE A 99 -5.253 13.472 -9.640 1.00 0.00 C ATOM 968 C PHE A 99 -5.217 12.075 -9.029 1.00 0.00 C ATOM 969 O PHE A 99 -5.264 11.078 -9.716 1.00 0.00 O ATOM 970 CB PHE A 99 -3.942 14.206 -9.384 1.00 0.00 C ATOM 971 CG PHE A 99 -2.784 13.253 -9.569 1.00 0.00 C ATOM 972 CD1 PHE A 99 -2.398 12.407 -8.521 1.00 0.00 C ATOM 973 CD2 PHE A 99 -2.098 13.221 -10.785 1.00 0.00 C ATOM 974 CE1 PHE A 99 -1.319 11.531 -8.694 1.00 0.00 C ATOM 975 CE2 PHE A 99 -1.020 12.344 -10.959 1.00 0.00 C ATOM 976 CZ PHE A 99 -0.630 11.499 -9.913 1.00 0.00 C ATOM 0 H PHE A 99 -6.001 15.185 -8.618 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.440 13.370 -10.709 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.846 15.049 -10.068 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.933 14.614 -8.373 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.931 12.430 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.399 13.873 -11.592 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.018 10.880 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.490 12.320 -11.900 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.202 10.823 -10.046 1.00 0.00 H new ATOM 986 N SER A 100 -5.136 12.028 -7.727 1.00 0.00 N ATOM 987 CA SER A 100 -5.092 10.732 -6.990 1.00 0.00 C ATOM 988 C SER A 100 -5.856 9.638 -7.732 1.00 0.00 C ATOM 989 O SER A 100 -5.326 8.588 -8.046 1.00 0.00 O ATOM 990 CB SER A 100 -5.783 11.033 -5.664 1.00 0.00 C ATOM 991 OG SER A 100 -5.303 12.272 -5.163 1.00 0.00 O ATOM 0 H SER A 100 -5.098 12.854 -7.129 1.00 0.00 H new ATOM 0 HA SER A 100 -4.071 10.369 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.863 11.077 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.586 10.236 -4.947 1.00 0.00 H new ATOM 0 HG SER A 100 -6.048 12.903 -5.082 1.00 0.00 H new ATOM 997 N VAL A 101 -7.106 9.869 -7.987 1.00 0.00 N ATOM 998 CA VAL A 101 -7.925 8.842 -8.673 1.00 0.00 C ATOM 999 C VAL A 101 -7.781 8.892 -10.190 1.00 0.00 C ATOM 1000 O VAL A 101 -7.457 7.908 -10.811 1.00 0.00 O ATOM 1001 CB VAL A 101 -9.317 9.135 -8.254 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -10.234 8.064 -8.832 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -9.376 9.125 -6.729 1.00 0.00 C ATOM 0 H VAL A 101 -7.599 10.729 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.607 7.835 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.638 10.111 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.263 8.265 -8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.164 8.074 -9.920 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.932 7.086 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.394 9.339 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.075 8.145 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.701 9.884 -6.334 1.00 0.00 H new ATOM 1013 N TYR A 102 -8.003 10.005 -10.819 1.00 0.00 N ATOM 1014 CA TYR A 102 -7.828 10.009 -12.296 1.00 0.00 C ATOM 1015 C TYR A 102 -6.444 9.418 -12.586 1.00 0.00 C ATOM 1016 O TYR A 102 -6.251 8.615 -13.491 1.00 0.00 O ATOM 1017 CB TYR A 102 -7.911 11.479 -12.714 1.00 0.00 C ATOM 1018 CG TYR A 102 -7.784 11.603 -14.217 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -8.007 10.491 -15.040 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -7.448 12.838 -14.785 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -7.893 10.615 -16.431 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -7.333 12.961 -16.176 1.00 0.00 C ATOM 1023 CZ TYR A 102 -7.556 11.850 -16.998 1.00 0.00 C ATOM 1024 OH TYR A 102 -7.445 11.972 -18.369 1.00 0.00 O ATOM 0 H TYR A 102 -8.289 10.887 -10.395 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.573 9.426 -12.837 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.859 11.905 -12.385 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.120 12.048 -12.227 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.267 9.538 -14.602 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.278 13.696 -14.151 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.065 9.758 -17.066 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.072 13.913 -16.614 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.206 12.895 -18.597 1.00 0.00 H new ATOM 1034 N ASP A 103 -5.486 9.782 -11.772 1.00 0.00 N ATOM 1035 CA ASP A 103 -4.112 9.240 -11.933 1.00 0.00 C ATOM 1036 C ASP A 103 -4.150 7.720 -11.867 1.00 0.00 C ATOM 1037 O ASP A 103 -3.570 7.049 -12.699 1.00 0.00 O ATOM 1038 CB ASP A 103 -3.311 9.801 -10.759 1.00 0.00 C ATOM 1039 CG ASP A 103 -1.924 9.157 -10.733 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -1.106 9.528 -11.557 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -1.704 8.304 -9.889 1.00 0.00 O ATOM 0 H ASP A 103 -5.602 10.437 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.670 9.517 -12.890 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.219 10.883 -10.852 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.832 9.604 -9.822 1.00 0.00 H new ATOM 1046 N LEU A 104 -4.835 7.151 -10.904 1.00 0.00 N ATOM 1047 CA LEU A 104 -4.879 5.668 -10.865 1.00 0.00 C ATOM 1048 C LEU A 104 -5.921 5.193 -11.879 1.00 0.00 C ATOM 1049 O LEU A 104 -5.803 4.151 -12.465 1.00 0.00 O ATOM 1050 CB LEU A 104 -5.232 5.283 -9.417 1.00 0.00 C ATOM 1051 CG LEU A 104 -6.631 5.773 -9.051 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -7.691 4.849 -9.658 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -6.784 5.787 -7.529 1.00 0.00 C ATOM 0 H LEU A 104 -5.348 7.636 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.934 5.197 -11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.179 4.201 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.501 5.713 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.768 6.780 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.684 5.209 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.589 4.841 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.556 3.838 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.783 6.137 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.639 4.779 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.040 6.455 -7.095 1.00 0.00 H new ATOM 1065 N LEU A 105 -6.922 5.970 -12.133 1.00 0.00 N ATOM 1066 CA LEU A 105 -7.928 5.543 -13.140 1.00 0.00 C ATOM 1067 C LEU A 105 -7.214 5.098 -14.420 1.00 0.00 C ATOM 1068 O LEU A 105 -7.735 4.323 -15.196 1.00 0.00 O ATOM 1069 CB LEU A 105 -8.774 6.790 -13.413 1.00 0.00 C ATOM 1070 CG LEU A 105 -10.202 6.598 -12.899 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -10.721 5.220 -13.301 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -10.214 6.727 -11.376 1.00 0.00 C ATOM 0 H LEU A 105 -7.092 6.875 -11.695 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.536 4.708 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.321 7.656 -12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.792 6.996 -14.483 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.847 7.361 -13.336 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.738 5.092 -12.931 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.716 5.132 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.079 4.450 -12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.231 6.591 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.565 5.967 -10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.855 7.716 -11.092 1.00 0.00 H new ATOM 1084 N ILE A 106 -6.027 5.590 -14.646 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.280 5.203 -15.878 1.00 0.00 C ATOM 1086 C ILE A 106 -4.180 4.187 -15.541 1.00 0.00 C ATOM 1087 O ILE A 106 -3.905 3.282 -16.303 1.00 0.00 O ATOM 1088 CB ILE A 106 -4.703 6.519 -16.408 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -5.540 6.995 -17.597 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -3.254 6.334 -16.865 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -7.004 7.126 -17.175 1.00 0.00 C ATOM 0 H ILE A 106 -5.541 6.243 -14.031 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.911 4.717 -16.622 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.728 7.255 -15.605 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.167 7.954 -17.956 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.451 6.289 -18.423 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.866 7.282 -17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.647 5.999 -16.024 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.215 5.589 -17.660 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.598 7.465 -18.023 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.373 6.158 -16.837 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.085 7.849 -16.363 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.540 4.340 -14.416 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.450 3.391 -14.052 1.00 0.00 C ATOM 1105 C ASN A 107 -2.955 2.329 -13.068 1.00 0.00 C ATOM 1106 O ASN A 107 -2.302 1.333 -12.833 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.364 4.266 -13.414 1.00 0.00 C ATOM 1108 CG ASN A 107 -1.707 4.553 -11.953 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.854 3.646 -11.158 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -1.837 5.789 -11.566 1.00 0.00 N ATOM 0 H ASN A 107 -3.723 5.077 -13.735 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.075 2.844 -14.917 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.399 3.763 -13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -1.272 5.203 -13.964 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.063 5.998 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.713 6.549 -12.235 1.00 0.00 H new ATOM 1117 N VAL A 108 -4.111 2.523 -12.492 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.632 1.512 -11.532 1.00 0.00 C ATOM 1119 C VAL A 108 -4.947 0.215 -12.268 1.00 0.00 C ATOM 1120 O VAL A 108 -5.237 -0.797 -11.663 1.00 0.00 O ATOM 1121 CB VAL A 108 -5.907 2.114 -10.938 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -7.056 2.024 -11.950 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -6.293 1.343 -9.677 1.00 0.00 C ATOM 0 H VAL A 108 -4.712 3.333 -12.644 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.906 1.279 -10.753 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.723 3.160 -10.695 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.958 2.456 -11.516 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.789 2.573 -12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.238 0.979 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.201 1.771 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.468 0.297 -9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.485 1.410 -8.948 1.00 0.00 H new ATOM 1133 N SER A 109 -4.898 0.242 -13.573 1.00 0.00 N ATOM 1134 CA SER A 109 -5.195 -0.997 -14.357 1.00 0.00 C ATOM 1135 C SER A 109 -4.586 -2.224 -13.679 1.00 0.00 C ATOM 1136 O SER A 109 -5.056 -3.332 -13.848 1.00 0.00 O ATOM 1137 CB SER A 109 -4.565 -0.766 -15.730 1.00 0.00 C ATOM 1138 OG SER A 109 -5.332 -1.439 -16.719 1.00 0.00 O ATOM 0 H SER A 109 -4.666 1.064 -14.130 1.00 0.00 H new ATOM 0 HA SER A 109 -6.266 -1.184 -14.430 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.524 0.301 -15.949 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.539 -1.133 -15.738 1.00 0.00 H new ATOM 0 HG SER A 109 -4.931 -1.291 -17.601 1.00 0.00 H new ATOM 1144 N SER A 110 -3.564 -2.039 -12.895 1.00 0.00 N ATOM 1145 CA SER A 110 -2.951 -3.193 -12.189 1.00 0.00 C ATOM 1146 C SER A 110 -3.858 -3.670 -11.054 1.00 0.00 C ATOM 1147 O SER A 110 -3.456 -4.472 -10.233 1.00 0.00 O ATOM 1148 CB SER A 110 -1.662 -2.640 -11.598 1.00 0.00 C ATOM 1149 OG SER A 110 -1.852 -1.270 -11.270 1.00 0.00 O ATOM 0 H SER A 110 -3.126 -1.136 -12.713 1.00 0.00 H new ATOM 0 HA SER A 110 -2.789 -4.038 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.383 -3.205 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.845 -2.746 -12.312 1.00 0.00 H new ATOM 0 HG SER A 110 -2.181 -1.197 -10.350 1.00 0.00 H new ATOM 1155 N THR A 111 -5.067 -3.179 -10.971 1.00 0.00 N ATOM 1156 CA THR A 111 -5.943 -3.622 -9.853 1.00 0.00 C ATOM 1157 C THR A 111 -6.677 -4.919 -10.213 1.00 0.00 C ATOM 1158 O THR A 111 -7.738 -5.202 -9.693 1.00 0.00 O ATOM 1159 CB THR A 111 -6.940 -2.480 -9.643 1.00 0.00 C ATOM 1160 OG1 THR A 111 -7.313 -1.940 -10.904 1.00 0.00 O ATOM 1161 CG2 THR A 111 -6.298 -1.393 -8.778 1.00 0.00 C ATOM 0 H THR A 111 -5.477 -2.504 -11.616 1.00 0.00 H new ATOM 0 HA THR A 111 -5.368 -3.832 -8.951 1.00 0.00 H new ATOM 0 HB THR A 111 -7.829 -2.858 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.707 -1.206 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.008 -0.580 -8.629 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.020 -1.814 -7.812 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.408 -1.010 -9.277 1.00 0.00 H new ATOM 1169 N VAL A 112 -6.124 -5.715 -11.087 1.00 0.00 N ATOM 1170 CA VAL A 112 -6.802 -6.992 -11.455 1.00 0.00 C ATOM 1171 C VAL A 112 -7.029 -7.827 -10.195 1.00 0.00 C ATOM 1172 O VAL A 112 -7.845 -8.727 -10.169 1.00 0.00 O ATOM 1173 CB VAL A 112 -5.838 -7.703 -12.404 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -4.478 -7.867 -11.724 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -6.397 -9.084 -12.758 1.00 0.00 C ATOM 0 H VAL A 112 -5.238 -5.539 -11.560 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.774 -6.831 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.722 -7.111 -13.312 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.791 -8.374 -12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -4.078 -6.886 -11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.594 -8.458 -10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.710 -9.592 -13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.513 -9.674 -11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.367 -8.971 -13.243 1.00 0.00 H new ATOM 1185 N GLY A 113 -6.313 -7.525 -9.146 1.00 0.00 N ATOM 1186 CA GLY A 113 -6.483 -8.287 -7.879 1.00 0.00 C ATOM 1187 C GLY A 113 -7.390 -7.496 -6.937 1.00 0.00 C ATOM 1188 O GLY A 113 -7.066 -7.289 -5.785 1.00 0.00 O ATOM 0 H GLY A 113 -5.616 -6.781 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -6.916 -9.266 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.514 -8.459 -7.411 1.00 0.00 H new ATOM 1192 N ARG A 114 -8.531 -7.074 -7.426 1.00 0.00 N ATOM 1193 CA ARG A 114 -9.501 -6.309 -6.595 1.00 0.00 C ATOM 1194 C ARG A 114 -8.792 -5.509 -5.496 1.00 0.00 C ATOM 1195 O ARG A 114 -8.483 -6.020 -4.438 1.00 0.00 O ATOM 1196 CB ARG A 114 -10.382 -7.398 -6.021 1.00 0.00 C ATOM 1197 CG ARG A 114 -11.478 -6.787 -5.153 1.00 0.00 C ATOM 1198 CD ARG A 114 -12.087 -7.876 -4.270 1.00 0.00 C ATOM 1199 NE ARG A 114 -12.598 -8.905 -5.219 1.00 0.00 N ATOM 1200 CZ ARG A 114 -13.843 -9.289 -5.155 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -14.799 -8.445 -5.427 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -14.131 -10.517 -4.820 1.00 0.00 N ATOM 0 H ARG A 114 -8.833 -7.233 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 114 -10.059 -5.562 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -10.829 -7.978 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.781 -8.088 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -11.066 -5.989 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -12.248 -6.339 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -11.343 -8.298 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.890 -7.478 -3.650 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.975 -9.309 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.573 -7.486 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.773 -8.744 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.382 -11.177 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.105 -10.817 -4.770 1.00 0.00 H new ATOM 1216 N ALA A 115 -8.526 -4.256 -5.750 1.00 0.00 N ATOM 1217 CA ALA A 115 -7.826 -3.409 -4.738 1.00 0.00 C ATOM 1218 C ALA A 115 -8.767 -3.021 -3.598 1.00 0.00 C ATOM 1219 O ALA A 115 -9.811 -2.438 -3.811 1.00 0.00 O ATOM 1220 CB ALA A 115 -7.394 -2.161 -5.507 1.00 0.00 C ATOM 0 H ALA A 115 -8.764 -3.779 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.987 -3.936 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.870 -1.482 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.730 -2.448 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.273 -1.661 -5.913 1.00 0.00 H new ATOM 1226 N TYR A 116 -8.388 -3.314 -2.383 1.00 0.00 N ATOM 1227 CA TYR A 116 -9.249 -2.929 -1.230 1.00 0.00 C ATOM 1228 C TYR A 116 -9.208 -1.408 -1.094 1.00 0.00 C ATOM 1229 O TYR A 116 -8.169 -0.827 -0.853 1.00 0.00 O ATOM 1230 CB TYR A 116 -8.617 -3.604 -0.012 1.00 0.00 C ATOM 1231 CG TYR A 116 -9.667 -3.812 1.056 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -10.328 -2.712 1.615 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -9.973 -5.108 1.490 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -11.297 -2.907 2.608 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -10.940 -5.303 2.483 1.00 0.00 C ATOM 1236 CZ TYR A 116 -11.602 -4.203 3.041 1.00 0.00 C ATOM 1237 OH TYR A 116 -12.555 -4.397 4.021 1.00 0.00 O ATOM 0 H TYR A 116 -7.525 -3.800 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 116 -10.290 -3.231 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.182 -4.561 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.806 -2.989 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.091 -1.713 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.463 -5.957 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -11.808 -2.059 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.175 -6.302 2.819 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.646 -5.356 4.204 1.00 0.00 H new ATOM 1247 N THR A 117 -10.315 -0.753 -1.283 1.00 0.00 N ATOM 1248 CA THR A 117 -10.311 0.732 -1.203 1.00 0.00 C ATOM 1249 C THR A 117 -10.320 1.217 0.249 1.00 0.00 C ATOM 1250 O THR A 117 -10.609 0.480 1.170 1.00 0.00 O ATOM 1251 CB THR A 117 -11.588 1.170 -1.919 1.00 0.00 C ATOM 1252 OG1 THR A 117 -11.658 0.536 -3.188 1.00 0.00 O ATOM 1253 CG2 THR A 117 -11.576 2.689 -2.104 1.00 0.00 C ATOM 0 H THR A 117 -11.219 -1.178 -1.489 1.00 0.00 H new ATOM 0 HA THR A 117 -9.413 1.152 -1.656 1.00 0.00 H new ATOM 0 HB THR A 117 -12.455 0.886 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 117 -12.477 0.814 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.487 3.001 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.523 3.174 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.710 2.976 -2.700 1.00 0.00 H new ATOM 1261 N LEU A 118 -10.002 2.467 0.440 1.00 0.00 N ATOM 1262 CA LEU A 118 -9.976 3.057 1.806 1.00 0.00 C ATOM 1263 C LEU A 118 -10.439 4.498 1.737 1.00 0.00 C ATOM 1264 O LEU A 118 -9.805 5.388 2.266 1.00 0.00 O ATOM 1265 CB LEU A 118 -8.518 2.980 2.256 1.00 0.00 C ATOM 1266 CG LEU A 118 -8.366 1.886 3.312 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -7.915 0.587 2.641 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -7.319 2.315 4.342 1.00 0.00 C ATOM 0 H LEU A 118 -9.755 3.116 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.632 2.533 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.874 2.768 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.201 3.940 2.664 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.323 1.726 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.807 -0.193 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.659 0.280 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.958 0.747 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.210 1.535 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.363 2.475 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.638 3.241 4.821 1.00 0.00 H new ATOM 1280 N GLY A 119 -11.541 4.734 1.083 1.00 0.00 N ATOM 1281 CA GLY A 119 -12.050 6.122 0.971 1.00 0.00 C ATOM 1282 C GLY A 119 -11.094 6.942 0.121 1.00 0.00 C ATOM 1283 O GLY A 119 -11.449 7.471 -0.914 1.00 0.00 O ATOM 0 H GLY A 119 -12.109 4.023 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.044 6.122 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.147 6.567 1.961 1.00 0.00 H new ATOM 1287 N THR A 120 -9.883 7.051 0.563 1.00 0.00 N ATOM 1288 CA THR A 120 -8.878 7.847 -0.204 1.00 0.00 C ATOM 1289 C THR A 120 -7.711 6.968 -0.687 1.00 0.00 C ATOM 1290 O THR A 120 -6.977 7.345 -1.578 1.00 0.00 O ATOM 1291 CB THR A 120 -8.409 8.942 0.766 1.00 0.00 C ATOM 1292 OG1 THR A 120 -7.986 10.075 0.022 1.00 0.00 O ATOM 1293 CG2 THR A 120 -7.250 8.437 1.624 1.00 0.00 C ATOM 0 H THR A 120 -9.536 6.626 1.423 1.00 0.00 H new ATOM 0 HA THR A 120 -9.305 8.274 -1.111 1.00 0.00 H new ATOM 0 HB THR A 120 -9.237 9.213 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 120 -7.687 10.777 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 120 -6.931 9.226 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 120 -7.574 7.570 2.200 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.417 8.154 0.980 1.00 0.00 H new ATOM 1301 N LYS A 121 -7.527 5.805 -0.115 1.00 0.00 N ATOM 1302 CA LYS A 121 -6.396 4.927 -0.568 1.00 0.00 C ATOM 1303 C LYS A 121 -6.923 3.561 -1.017 1.00 0.00 C ATOM 1304 O LYS A 121 -8.011 3.165 -0.666 1.00 0.00 O ATOM 1305 CB LYS A 121 -5.485 4.748 0.652 1.00 0.00 C ATOM 1306 CG LYS A 121 -5.407 6.046 1.455 1.00 0.00 C ATOM 1307 CD LYS A 121 -4.432 5.868 2.623 1.00 0.00 C ATOM 1308 CE LYS A 121 -5.208 5.483 3.885 1.00 0.00 C ATOM 1309 NZ LYS A 121 -4.346 5.923 5.016 1.00 0.00 N ATOM 0 H LYS A 121 -8.101 5.425 0.638 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.868 5.372 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.866 3.945 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.487 4.453 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.077 6.863 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -6.395 6.314 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.700 5.097 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.878 6.792 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -6.181 5.974 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.392 4.409 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -4.811 5.693 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.430 5.434 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.194 6.950 4.957 1.00 0.00 H new ATOM 1323 N PHE A 122 -6.151 2.825 -1.772 1.00 0.00 N ATOM 1324 CA PHE A 122 -6.609 1.475 -2.209 1.00 0.00 C ATOM 1325 C PHE A 122 -5.465 0.472 -2.030 1.00 0.00 C ATOM 1326 O PHE A 122 -4.317 0.848 -1.883 1.00 0.00 O ATOM 1327 CB PHE A 122 -7.034 1.588 -3.687 1.00 0.00 C ATOM 1328 CG PHE A 122 -6.257 2.663 -4.423 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -6.392 4.012 -4.064 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -5.423 2.308 -5.491 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -5.686 4.998 -4.763 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -4.722 3.296 -6.194 1.00 0.00 C ATOM 1333 CZ PHE A 122 -4.853 4.640 -5.829 1.00 0.00 C ATOM 0 H PHE A 122 -5.226 3.100 -2.104 1.00 0.00 H new ATOM 0 HA PHE A 122 -7.452 1.124 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.882 0.629 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.100 1.810 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -7.041 4.290 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.320 1.271 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.784 6.036 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.080 3.020 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 122 -4.311 5.402 -6.370 1.00 0.00 H new ATOM 1343 N THR A 123 -5.761 -0.799 -2.018 1.00 0.00 N ATOM 1344 CA THR A 123 -4.695 -1.796 -1.822 1.00 0.00 C ATOM 1345 C THR A 123 -4.940 -3.028 -2.702 1.00 0.00 C ATOM 1346 O THR A 123 -5.932 -3.714 -2.563 1.00 0.00 O ATOM 1347 CB THR A 123 -4.750 -2.125 -0.317 1.00 0.00 C ATOM 1348 OG1 THR A 123 -3.613 -1.563 0.322 1.00 0.00 O ATOM 1349 CG2 THR A 123 -4.764 -3.638 -0.080 1.00 0.00 C ATOM 0 H THR A 123 -6.699 -1.181 -2.136 1.00 0.00 H new ATOM 0 HA THR A 123 -3.709 -1.432 -2.111 1.00 0.00 H new ATOM 0 HB THR A 123 -5.667 -1.705 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.642 -1.767 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.803 -3.838 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.639 -4.074 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.860 -4.080 -0.499 1.00 0.00 H new ATOM 1357 N ILE A 124 -4.034 -3.312 -3.595 1.00 0.00 N ATOM 1358 CA ILE A 124 -4.198 -4.499 -4.483 1.00 0.00 C ATOM 1359 C ILE A 124 -3.627 -5.745 -3.796 1.00 0.00 C ATOM 1360 O ILE A 124 -2.537 -5.723 -3.262 1.00 0.00 O ATOM 1361 CB ILE A 124 -3.396 -4.157 -5.741 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -4.172 -3.139 -6.582 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -3.167 -5.426 -6.562 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -4.113 -1.761 -5.913 1.00 0.00 C ATOM 0 H ILE A 124 -3.183 -2.771 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.242 -4.713 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.434 -3.732 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -3.750 -3.085 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.209 -3.457 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.596 -5.182 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.613 -6.151 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.128 -5.852 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -4.666 -1.040 -6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.556 -1.820 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -3.074 -1.442 -5.829 1.00 0.00 H new ATOM 1376 N THR A 125 -4.355 -6.830 -3.800 1.00 0.00 N ATOM 1377 CA THR A 125 -3.846 -8.067 -3.139 1.00 0.00 C ATOM 1378 C THR A 125 -4.527 -9.310 -3.722 1.00 0.00 C ATOM 1379 O THR A 125 -5.591 -9.233 -4.304 1.00 0.00 O ATOM 1380 CB THR A 125 -4.211 -7.902 -1.663 1.00 0.00 C ATOM 1381 OG1 THR A 125 -3.758 -9.034 -0.935 1.00 0.00 O ATOM 1382 CG2 THR A 125 -5.730 -7.775 -1.526 1.00 0.00 C ATOM 0 H THR A 125 -5.276 -6.913 -4.230 1.00 0.00 H new ATOM 0 HA THR A 125 -2.774 -8.199 -3.287 1.00 0.00 H new ATOM 0 HB THR A 125 -3.736 -7.004 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.990 -8.929 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 125 -5.992 -7.657 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.074 -6.905 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.207 -8.672 -1.921 1.00 0.00 H new ATOM 1390 N SER A 126 -3.919 -10.456 -3.566 1.00 0.00 N ATOM 1391 CA SER A 126 -4.527 -11.707 -4.107 1.00 0.00 C ATOM 1392 C SER A 126 -5.578 -12.246 -3.132 1.00 0.00 C ATOM 1393 O SER A 126 -6.754 -11.962 -3.250 1.00 0.00 O ATOM 1394 CB SER A 126 -3.363 -12.690 -4.237 1.00 0.00 C ATOM 1395 OG SER A 126 -3.840 -14.012 -4.023 1.00 0.00 O ATOM 0 H SER A 126 -3.027 -10.580 -3.087 1.00 0.00 H new ATOM 0 HA SER A 126 -5.030 -11.544 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.912 -12.609 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 126 -2.586 -12.449 -3.512 1.00 0.00 H new ATOM 0 HG SER A 126 -3.821 -14.508 -4.868 1.00 0.00 H new ATOM 1401 N GLU A 127 -5.162 -13.021 -2.168 1.00 0.00 N ATOM 1402 CA GLU A 127 -6.136 -13.580 -1.184 1.00 0.00 C ATOM 1403 C GLU A 127 -6.197 -12.689 0.060 1.00 0.00 C ATOM 1404 O GLU A 127 -5.630 -11.617 0.095 1.00 0.00 O ATOM 1405 CB GLU A 127 -5.586 -14.960 -0.819 1.00 0.00 C ATOM 1406 CG GLU A 127 -5.141 -15.686 -2.090 1.00 0.00 C ATOM 1407 CD GLU A 127 -3.616 -15.792 -2.110 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -2.971 -14.862 -1.653 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -3.116 -16.800 -2.583 1.00 0.00 O ATOM 0 H GLU A 127 -4.190 -13.292 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.146 -13.636 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -4.745 -14.858 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.349 -15.543 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.586 -16.680 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.490 -15.147 -2.971 1.00 0.00 H new ATOM 1416 N LEU A 128 -6.888 -13.128 1.077 1.00 0.00 N ATOM 1417 CA LEU A 128 -6.996 -12.322 2.314 1.00 0.00 C ATOM 1418 C LEU A 128 -5.631 -11.747 2.703 1.00 0.00 C ATOM 1419 O LEU A 128 -4.616 -12.078 2.123 1.00 0.00 O ATOM 1420 CB LEU A 128 -7.495 -13.298 3.380 1.00 0.00 C ATOM 1421 CG LEU A 128 -8.953 -13.663 3.093 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -9.520 -14.465 4.265 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -9.771 -12.382 2.911 1.00 0.00 C ATOM 0 H LEU A 128 -7.384 -14.019 1.098 1.00 0.00 H new ATOM 0 HA LEU A 128 -7.668 -11.472 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.878 -14.196 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.409 -12.848 4.369 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.005 -14.263 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.559 -14.725 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -8.938 -15.377 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -9.469 -13.866 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.810 -12.640 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.718 -11.784 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.368 -11.809 2.076 1.00 0.00 H new TER 1435 LEU A 128