USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 656 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 42 THR OG1 : rot -69:sc= 0.685 USER MOD Set 1.2: A 56 ASN : amide:sc= -1.44 K(o=-0.75,f=-9.1!) USER MOD Set 2.1: A 6 THR OG1 : rot 12:sc= -0.81 USER MOD Set 2.2: A 8 ASN : amide:sc= -1.41 K(o=-2.2,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.571) USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0172) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -157:sc= 0.579 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0326) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.2) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0037) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0313 K(o=-0.031,f=-0.9) USER MOD Single : A 78 GLN : amide:sc= -1.64 K(o=-1.6,f=-14!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.428 9.060 33.025 1.00 0.00 N ATOM 2 CA MET A 1 8.375 8.392 33.843 1.00 0.00 C ATOM 3 C MET A 1 7.332 7.740 32.932 1.00 0.00 C ATOM 4 O MET A 1 6.154 8.024 33.019 1.00 0.00 O ATOM 5 CB MET A 1 7.742 9.513 34.667 1.00 0.00 C ATOM 6 CG MET A 1 8.313 9.489 36.086 1.00 0.00 C ATOM 7 SD MET A 1 9.620 10.733 36.233 1.00 0.00 S ATOM 8 CE MET A 1 10.591 9.891 37.509 1.00 0.00 C ATOM 0 H1 MET A 1 10.130 9.499 33.654 1.00 0.00 H new ATOM 0 H2 MET A 1 9.897 8.356 32.421 1.00 0.00 H new ATOM 0 H3 MET A 1 8.992 9.792 32.429 1.00 0.00 H new ATOM 0 HA MET A 1 8.782 7.603 34.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.940 10.478 34.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.659 9.390 34.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.523 9.689 36.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.711 8.500 36.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.464 10.494 37.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.979 9.753 38.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.915 8.919 37.137 1.00 0.00 H new ATOM 20 N LYS A 2 7.754 6.868 32.056 1.00 0.00 N ATOM 21 CA LYS A 2 6.785 6.199 31.141 1.00 0.00 C ATOM 22 C LYS A 2 5.932 7.245 30.416 1.00 0.00 C ATOM 23 O LYS A 2 6.239 8.420 30.419 1.00 0.00 O ATOM 24 CB LYS A 2 5.912 5.333 32.049 1.00 0.00 C ATOM 25 CG LYS A 2 6.700 4.101 32.497 1.00 0.00 C ATOM 26 CD LYS A 2 7.562 4.460 33.708 1.00 0.00 C ATOM 27 CE LYS A 2 7.723 3.231 34.605 1.00 0.00 C ATOM 28 NZ LYS A 2 8.342 2.196 33.732 1.00 0.00 N ATOM 0 H LYS A 2 8.728 6.590 31.935 1.00 0.00 H new ATOM 0 HA LYS A 2 7.285 5.608 30.373 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.592 5.908 32.918 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.010 5.027 31.519 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.016 3.291 32.751 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.329 3.743 31.682 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.539 4.814 33.380 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.100 5.273 34.268 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.355 3.451 35.466 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.761 2.896 34.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.847 1.503 34.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.600 1.713 33.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.012 2.649 33.078 1.00 0.00 H new ATOM 42 N LEU A 3 4.864 6.826 29.793 1.00 0.00 N ATOM 43 CA LEU A 3 3.993 7.797 29.069 1.00 0.00 C ATOM 44 C LEU A 3 2.670 7.133 28.675 1.00 0.00 C ATOM 45 O LEU A 3 2.258 7.180 27.534 1.00 0.00 O ATOM 46 CB LEU A 3 4.787 8.189 27.823 1.00 0.00 C ATOM 47 CG LEU A 3 5.156 6.930 27.036 1.00 0.00 C ATOM 48 CD1 LEU A 3 5.174 7.249 25.540 1.00 0.00 C ATOM 49 CD2 LEU A 3 6.541 6.445 27.471 1.00 0.00 C ATOM 0 H LEU A 3 4.557 5.854 29.754 1.00 0.00 H new ATOM 0 HA LEU A 3 3.743 8.662 29.683 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.197 8.861 27.199 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.689 8.730 28.109 1.00 0.00 H new ATOM 0 HG LEU A 3 4.419 6.151 27.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.437 6.352 24.980 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.188 7.595 25.230 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.910 8.028 25.343 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.805 5.548 26.911 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.277 7.225 27.276 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.528 6.217 28.537 1.00 0.00 H new ATOM 61 N LYS A 4 2.003 6.517 29.612 1.00 0.00 N ATOM 62 CA LYS A 4 0.708 5.852 29.288 1.00 0.00 C ATOM 63 C LYS A 4 -0.281 6.024 30.444 1.00 0.00 C ATOM 64 O LYS A 4 -0.260 5.284 31.407 1.00 0.00 O ATOM 65 CB LYS A 4 1.057 4.376 29.098 1.00 0.00 C ATOM 66 CG LYS A 4 0.578 3.911 27.720 1.00 0.00 C ATOM 67 CD LYS A 4 1.231 2.569 27.378 1.00 0.00 C ATOM 68 CE LYS A 4 0.260 1.432 27.701 1.00 0.00 C ATOM 69 NZ LYS A 4 -0.651 1.356 26.524 1.00 0.00 N ATOM 0 H LYS A 4 2.297 6.445 30.586 1.00 0.00 H new ATOM 0 HA LYS A 4 0.237 6.278 28.402 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.134 4.231 29.188 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.588 3.777 29.879 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.507 3.811 27.715 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.833 4.654 26.965 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.501 2.542 26.322 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.153 2.446 27.946 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.790 0.491 27.851 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.295 1.635 28.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.621 1.165 26.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.629 2.259 26.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.340 0.590 25.893 1.00 0.00 H new ATOM 83 N VAL A 5 -1.149 6.995 30.353 1.00 0.00 N ATOM 84 CA VAL A 5 -2.142 7.212 31.445 1.00 0.00 C ATOM 85 C VAL A 5 -3.538 6.801 30.970 1.00 0.00 C ATOM 86 O VAL A 5 -3.863 6.923 29.807 1.00 0.00 O ATOM 87 CB VAL A 5 -2.095 8.714 31.736 1.00 0.00 C ATOM 88 CG1 VAL A 5 -2.972 9.025 32.949 1.00 0.00 C ATOM 89 CG2 VAL A 5 -0.652 9.136 32.030 1.00 0.00 C ATOM 0 H VAL A 5 -1.214 7.647 29.571 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.917 6.621 32.333 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.463 9.262 30.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.939 10.094 33.157 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.000 8.727 32.741 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.603 8.475 33.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.621 10.206 32.237 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.282 8.588 32.896 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.025 8.915 31.166 1.00 0.00 H new ATOM 99 N THR A 6 -4.362 6.310 31.865 1.00 0.00 N ATOM 100 CA THR A 6 -5.745 5.879 31.480 1.00 0.00 C ATOM 101 C THR A 6 -5.723 5.072 30.175 1.00 0.00 C ATOM 102 O THR A 6 -4.734 4.456 29.834 1.00 0.00 O ATOM 103 CB THR A 6 -6.539 7.177 31.299 1.00 0.00 C ATOM 104 OG1 THR A 6 -6.027 7.901 30.191 1.00 0.00 O ATOM 105 CG2 THR A 6 -6.426 8.028 32.564 1.00 0.00 C ATOM 0 H THR A 6 -4.135 6.188 32.852 1.00 0.00 H new ATOM 0 HA THR A 6 -6.190 5.232 32.236 1.00 0.00 H new ATOM 0 HB THR A 6 -7.586 6.935 31.118 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.416 7.329 29.681 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.991 8.951 32.433 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.827 7.474 33.412 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.379 8.267 32.749 1.00 0.00 H new ATOM 113 N VAL A 7 -6.805 5.073 29.446 1.00 0.00 N ATOM 114 CA VAL A 7 -6.842 4.308 28.167 1.00 0.00 C ATOM 115 C VAL A 7 -7.199 5.239 27.005 1.00 0.00 C ATOM 116 O VAL A 7 -8.176 5.038 26.312 1.00 0.00 O ATOM 117 CB VAL A 7 -7.933 3.255 28.365 1.00 0.00 C ATOM 118 CG1 VAL A 7 -7.521 2.300 29.488 1.00 0.00 C ATOM 119 CG2 VAL A 7 -9.248 3.945 28.737 1.00 0.00 C ATOM 0 H VAL A 7 -7.664 5.570 29.680 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.879 3.856 27.928 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.068 2.693 27.441 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.298 1.549 29.630 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.585 1.808 29.222 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.386 2.862 30.412 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.026 3.194 28.878 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.115 4.508 29.661 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.541 4.625 27.937 1.00 0.00 H new ATOM 129 N ASN A 8 -6.414 6.259 26.789 1.00 0.00 N ATOM 130 CA ASN A 8 -6.707 7.205 25.674 1.00 0.00 C ATOM 131 C ASN A 8 -5.443 7.467 24.853 1.00 0.00 C ATOM 132 O ASN A 8 -4.418 7.849 25.381 1.00 0.00 O ATOM 133 CB ASN A 8 -7.178 8.489 26.359 1.00 0.00 C ATOM 134 CG ASN A 8 -6.045 9.054 27.220 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.354 8.318 27.896 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.824 10.341 27.223 1.00 0.00 N ATOM 0 H ASN A 8 -5.582 6.479 27.337 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.454 6.811 24.985 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.481 9.222 25.612 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.052 8.284 26.978 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.072 10.728 27.793 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.404 10.959 26.656 1.00 0.00 H new ATOM 143 N GLY A 9 -5.506 7.266 23.566 1.00 0.00 N ATOM 144 CA GLY A 9 -4.306 7.505 22.715 1.00 0.00 C ATOM 145 C GLY A 9 -4.337 6.567 21.508 1.00 0.00 C ATOM 146 O GLY A 9 -4.183 5.368 21.637 1.00 0.00 O ATOM 0 H GLY A 9 -6.336 6.947 23.067 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.285 8.542 22.381 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.398 7.338 23.294 1.00 0.00 H new ATOM 150 N ALA A 10 -4.534 7.103 20.335 1.00 0.00 N ATOM 151 CA ALA A 10 -4.574 6.240 19.119 1.00 0.00 C ATOM 152 C ALA A 10 -3.324 6.472 18.267 1.00 0.00 C ATOM 153 O ALA A 10 -3.393 6.562 17.056 1.00 0.00 O ATOM 154 CB ALA A 10 -5.829 6.678 18.363 1.00 0.00 C ATOM 0 H ALA A 10 -4.669 8.100 20.165 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.598 5.178 19.365 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.930 6.088 17.452 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.705 6.525 18.993 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.748 7.734 18.104 1.00 0.00 H new ATOM 160 N GLY A 11 -2.181 6.570 18.888 1.00 0.00 N ATOM 161 CA GLY A 11 -0.928 6.795 18.114 1.00 0.00 C ATOM 162 C GLY A 11 -0.528 5.500 17.406 1.00 0.00 C ATOM 163 O GLY A 11 0.161 4.666 17.959 1.00 0.00 O ATOM 0 H GLY A 11 -2.061 6.504 19.899 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.077 7.591 17.384 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.129 7.119 18.781 1.00 0.00 H new ATOM 167 N LYS A 12 -0.954 5.324 16.186 1.00 0.00 N ATOM 168 CA LYS A 12 -0.599 4.081 15.444 1.00 0.00 C ATOM 169 C LYS A 12 0.092 4.434 14.123 1.00 0.00 C ATOM 170 O LYS A 12 -0.495 4.343 13.063 1.00 0.00 O ATOM 171 CB LYS A 12 -1.934 3.382 15.184 1.00 0.00 C ATOM 172 CG LYS A 12 -2.657 3.150 16.514 1.00 0.00 C ATOM 173 CD LYS A 12 -2.978 1.662 16.676 1.00 0.00 C ATOM 174 CE LYS A 12 -2.250 1.114 17.906 1.00 0.00 C ATOM 175 NZ LYS A 12 -3.196 0.129 18.502 1.00 0.00 N ATOM 0 H LYS A 12 -1.533 5.987 15.670 1.00 0.00 H new ATOM 0 HA LYS A 12 0.090 3.447 16.002 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.552 3.990 14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.766 2.431 14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.034 3.489 17.341 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.576 3.735 16.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.053 1.521 16.784 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.672 1.114 15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.308 0.640 17.629 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.011 1.910 18.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.769 -0.292 19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.081 0.610 18.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.399 -0.620 17.810 1.00 0.00 H new ATOM 189 N ALA A 13 1.332 4.837 14.179 1.00 0.00 N ATOM 190 CA ALA A 13 2.058 5.196 12.926 1.00 0.00 C ATOM 191 C ALA A 13 3.570 5.183 13.170 1.00 0.00 C ATOM 192 O ALA A 13 4.032 5.374 14.276 1.00 0.00 O ATOM 193 CB ALA A 13 1.580 6.608 12.585 1.00 0.00 C ATOM 0 H ALA A 13 1.874 4.933 15.038 1.00 0.00 H new ATOM 0 HA ALA A 13 1.862 4.493 12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.069 6.947 11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.500 6.601 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.829 7.284 13.403 1.00 0.00 H new ATOM 199 N GLY A 14 4.344 4.960 12.143 1.00 0.00 N ATOM 200 CA GLY A 14 5.825 4.937 12.318 1.00 0.00 C ATOM 201 C GLY A 14 6.501 4.695 10.967 1.00 0.00 C ATOM 202 O GLY A 14 5.858 4.668 9.936 1.00 0.00 O ATOM 0 H GLY A 14 4.016 4.793 11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.165 5.882 12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.105 4.153 13.021 1.00 0.00 H new ATOM 206 N GLU A 15 7.795 4.521 10.963 1.00 0.00 N ATOM 207 CA GLU A 15 8.512 4.284 9.675 1.00 0.00 C ATOM 208 C GLU A 15 8.057 2.960 9.053 1.00 0.00 C ATOM 209 O GLU A 15 7.937 1.957 9.726 1.00 0.00 O ATOM 210 CB GLU A 15 9.993 4.217 10.052 1.00 0.00 C ATOM 211 CG GLU A 15 10.670 5.541 9.696 1.00 0.00 C ATOM 212 CD GLU A 15 11.635 5.324 8.530 1.00 0.00 C ATOM 213 OE1 GLU A 15 12.667 4.709 8.746 1.00 0.00 O ATOM 214 OE2 GLU A 15 11.327 5.777 7.439 1.00 0.00 O ATOM 0 H GLU A 15 8.387 4.532 11.794 1.00 0.00 H new ATOM 0 HA GLU A 15 8.313 5.065 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.099 4.017 11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.477 3.395 9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.920 6.284 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.209 5.930 10.560 1.00 0.00 H new ATOM 221 N GLY A 16 7.806 2.951 7.772 1.00 0.00 N ATOM 222 CA GLY A 16 7.363 1.691 7.110 1.00 0.00 C ATOM 223 C GLY A 16 5.852 1.737 6.864 1.00 0.00 C ATOM 224 O GLY A 16 5.326 1.000 6.053 1.00 0.00 O ATOM 0 H GLY A 16 7.888 3.760 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.891 1.561 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.613 0.834 7.735 1.00 0.00 H new ATOM 228 N GLU A 17 5.146 2.591 7.557 1.00 0.00 N ATOM 229 CA GLU A 17 3.670 2.670 7.357 1.00 0.00 C ATOM 230 C GLU A 17 3.292 3.982 6.663 1.00 0.00 C ATOM 231 O GLU A 17 3.662 5.055 7.098 1.00 0.00 O ATOM 232 CB GLU A 17 3.075 2.624 8.764 1.00 0.00 C ATOM 233 CG GLU A 17 2.611 1.201 9.076 1.00 0.00 C ATOM 234 CD GLU A 17 3.642 0.510 9.969 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.291 1.201 10.738 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.765 -0.699 9.872 1.00 0.00 O ATOM 0 H GLU A 17 5.526 3.235 8.251 1.00 0.00 H new ATOM 0 HA GLU A 17 3.300 1.861 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.818 2.944 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.236 3.316 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.641 1.225 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.481 0.639 8.151 1.00 0.00 H new ATOM 243 N ILE A 18 2.550 3.905 5.593 1.00 0.00 N ATOM 244 CA ILE A 18 2.139 5.146 4.879 1.00 0.00 C ATOM 245 C ILE A 18 0.914 5.761 5.569 1.00 0.00 C ATOM 246 O ILE A 18 -0.156 5.189 5.540 1.00 0.00 O ATOM 247 CB ILE A 18 1.778 4.686 3.467 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.985 3.991 2.833 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.383 5.898 2.620 1.00 0.00 C ATOM 250 CD1 ILE A 18 2.637 2.530 2.545 1.00 0.00 C ATOM 0 H ILE A 18 2.210 3.035 5.182 1.00 0.00 H new ATOM 0 HA ILE A 18 2.923 5.904 4.874 1.00 0.00 H new ATOM 0 HB ILE A 18 0.941 3.989 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.267 4.498 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.844 4.047 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.126 5.570 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.523 6.393 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.219 6.596 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.496 2.034 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.376 2.028 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.791 2.486 1.860 1.00 0.00 H new ATOM 262 N PRO A 19 1.104 6.906 6.178 1.00 0.00 N ATOM 263 CA PRO A 19 -0.019 7.576 6.880 1.00 0.00 C ATOM 264 C PRO A 19 -1.032 8.127 5.872 1.00 0.00 C ATOM 265 O PRO A 19 -0.674 8.602 4.812 1.00 0.00 O ATOM 266 CB PRO A 19 0.661 8.708 7.648 1.00 0.00 C ATOM 267 CG PRO A 19 1.920 8.983 6.893 1.00 0.00 C ATOM 268 CD PRO A 19 2.350 7.680 6.272 1.00 0.00 C ATOM 0 HA PRO A 19 -0.578 6.904 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.026 9.593 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.873 8.416 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.753 9.740 6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.693 9.368 7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.800 7.834 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.092 7.170 6.886 1.00 0.00 H new ATOM 276 N ALA A 20 -2.296 8.067 6.195 1.00 0.00 N ATOM 277 CA ALA A 20 -3.332 8.585 5.257 1.00 0.00 C ATOM 278 C ALA A 20 -3.530 10.094 5.469 1.00 0.00 C ATOM 279 O ALA A 20 -3.607 10.549 6.592 1.00 0.00 O ATOM 280 CB ALA A 20 -4.608 7.824 5.619 1.00 0.00 C ATOM 0 H ALA A 20 -2.655 7.681 7.068 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.053 8.443 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.422 8.149 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.444 6.755 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.869 8.025 6.658 1.00 0.00 H new ATOM 286 N PRO A 21 -3.606 10.826 4.382 1.00 0.00 N ATOM 287 CA PRO A 21 -3.798 12.294 4.477 1.00 0.00 C ATOM 288 C PRO A 21 -5.242 12.623 4.868 1.00 0.00 C ATOM 289 O PRO A 21 -6.181 12.079 4.323 1.00 0.00 O ATOM 290 CB PRO A 21 -3.495 12.789 3.065 1.00 0.00 C ATOM 291 CG PRO A 21 -3.766 11.617 2.174 1.00 0.00 C ATOM 292 CD PRO A 21 -3.523 10.370 2.986 1.00 0.00 C ATOM 0 HA PRO A 21 -3.165 12.758 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.125 13.638 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.460 13.120 2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.792 11.643 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.114 11.640 1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.269 9.604 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.548 9.936 2.766 1.00 0.00 H new ATOM 300 N LEU A 22 -5.425 13.510 5.807 1.00 0.00 N ATOM 301 CA LEU A 22 -6.809 13.872 6.230 1.00 0.00 C ATOM 302 C LEU A 22 -7.596 12.612 6.602 1.00 0.00 C ATOM 303 O LEU A 22 -7.039 11.546 6.765 1.00 0.00 O ATOM 304 CB LEU A 22 -7.431 14.552 5.010 1.00 0.00 C ATOM 305 CG LEU A 22 -7.050 16.033 4.998 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.202 16.331 3.760 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.319 16.887 4.964 1.00 0.00 C ATOM 0 H LEU A 22 -4.678 14.000 6.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.816 14.520 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.084 14.070 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.515 14.445 5.035 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.478 16.268 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.930 17.386 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.297 15.723 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.774 16.096 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.047 17.943 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.891 16.652 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.924 16.675 5.846 1.00 0.00 H new ATOM 319 N ALA A 23 -8.890 12.729 6.739 1.00 0.00 N ATOM 320 CA ALA A 23 -9.712 11.540 7.103 1.00 0.00 C ATOM 321 C ALA A 23 -10.394 10.965 5.857 1.00 0.00 C ATOM 322 O ALA A 23 -10.899 11.690 5.024 1.00 0.00 O ATOM 323 CB ALA A 23 -10.754 12.068 8.090 1.00 0.00 C ATOM 0 H ALA A 23 -9.412 13.596 6.615 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.112 10.738 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.401 11.251 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.250 12.491 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.354 12.840 7.608 1.00 0.00 H new ATOM 329 N GLY A 24 -10.413 9.666 5.726 1.00 0.00 N ATOM 330 CA GLY A 24 -11.062 9.046 4.536 1.00 0.00 C ATOM 331 C GLY A 24 -11.490 7.618 4.873 1.00 0.00 C ATOM 332 O GLY A 24 -11.124 7.076 5.897 1.00 0.00 O ATOM 0 H GLY A 24 -10.007 9.008 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.928 9.634 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.370 9.040 3.693 1.00 0.00 H new ATOM 336 N THR A 25 -12.265 7.003 4.022 1.00 0.00 N ATOM 337 CA THR A 25 -12.715 5.608 4.297 1.00 0.00 C ATOM 338 C THR A 25 -12.309 4.682 3.147 1.00 0.00 C ATOM 339 O THR A 25 -12.509 4.990 1.988 1.00 0.00 O ATOM 340 CB THR A 25 -14.238 5.696 4.406 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.595 6.917 5.039 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.762 4.519 5.229 1.00 0.00 C ATOM 0 H THR A 25 -12.606 7.405 3.149 1.00 0.00 H new ATOM 0 HA THR A 25 -12.265 5.201 5.203 1.00 0.00 H new ATOM 0 HB THR A 25 -14.677 5.661 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.571 6.976 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.847 4.583 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.487 3.583 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.325 4.550 6.227 1.00 0.00 H new ATOM 350 N VAL A 26 -11.739 3.552 3.459 1.00 0.00 N ATOM 351 CA VAL A 26 -11.318 2.604 2.385 1.00 0.00 C ATOM 352 C VAL A 26 -12.544 2.032 1.669 1.00 0.00 C ATOM 353 O VAL A 26 -13.554 1.742 2.280 1.00 0.00 O ATOM 354 CB VAL A 26 -10.555 1.496 3.113 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.152 0.412 2.111 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.300 2.084 3.762 1.00 0.00 C ATOM 0 H VAL A 26 -11.545 3.242 4.411 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.707 3.089 1.624 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.192 1.060 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.608 -0.378 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.046 -0.006 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.514 0.847 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.755 1.295 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.662 2.519 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.587 2.857 4.475 1.00 0.00 H new ATOM 366 N SER A 27 -12.463 1.867 0.376 1.00 0.00 N ATOM 367 CA SER A 27 -13.623 1.313 -0.381 1.00 0.00 C ATOM 368 C SER A 27 -13.272 -0.068 -0.944 1.00 0.00 C ATOM 369 O SER A 27 -14.137 -0.884 -1.197 1.00 0.00 O ATOM 370 CB SER A 27 -13.870 2.308 -1.514 1.00 0.00 C ATOM 371 OG SER A 27 -14.730 3.341 -1.051 1.00 0.00 O ATOM 0 H SER A 27 -11.644 2.092 -0.189 1.00 0.00 H new ATOM 0 HA SER A 27 -14.505 1.187 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.925 2.731 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.319 1.801 -2.368 1.00 0.00 H new ATOM 0 HG SER A 27 -15.185 3.754 -1.814 1.00 0.00 H new ATOM 377 N LYS A 28 -12.010 -0.335 -1.138 1.00 0.00 N ATOM 378 CA LYS A 28 -11.602 -1.663 -1.682 1.00 0.00 C ATOM 379 C LYS A 28 -10.075 -1.772 -1.713 1.00 0.00 C ATOM 380 O LYS A 28 -9.381 -0.825 -2.024 1.00 0.00 O ATOM 381 CB LYS A 28 -12.173 -1.705 -3.100 1.00 0.00 C ATOM 382 CG LYS A 28 -13.191 -2.843 -3.206 1.00 0.00 C ATOM 383 CD LYS A 28 -13.196 -3.395 -4.632 1.00 0.00 C ATOM 384 CE LYS A 28 -14.574 -3.981 -4.949 1.00 0.00 C ATOM 385 NZ LYS A 28 -14.780 -3.719 -6.400 1.00 0.00 N ATOM 0 H LYS A 28 -11.243 0.308 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.968 -2.490 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.648 -0.754 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.370 -1.852 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.941 -3.635 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.185 -2.481 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.954 -2.603 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.430 -4.163 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.608 -5.049 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.351 -3.509 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.705 -4.093 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.749 -2.694 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.029 -4.187 -6.947 1.00 0.00 H new ATOM 399 N ILE A 29 -9.546 -2.921 -1.390 1.00 0.00 N ATOM 400 CA ILE A 29 -8.064 -3.088 -1.399 1.00 0.00 C ATOM 401 C ILE A 29 -7.615 -3.792 -2.684 1.00 0.00 C ATOM 402 O ILE A 29 -8.194 -4.776 -3.102 1.00 0.00 O ATOM 403 CB ILE A 29 -7.754 -3.951 -0.174 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.239 -4.123 -0.043 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.411 -5.326 -0.330 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.928 -4.987 1.180 1.00 0.00 C ATOM 0 H ILE A 29 -10.075 -3.750 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.542 -2.132 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.146 -3.464 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.836 -4.589 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.759 -3.149 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.188 -5.937 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.490 -5.205 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.023 -5.815 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.849 -5.110 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.317 -4.503 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.396 -5.965 1.063 1.00 0.00 H new ATOM 418 N LEU A 30 -6.587 -3.293 -3.314 1.00 0.00 N ATOM 419 CA LEU A 30 -6.100 -3.932 -4.571 1.00 0.00 C ATOM 420 C LEU A 30 -5.134 -5.074 -4.244 1.00 0.00 C ATOM 421 O LEU A 30 -5.329 -6.202 -4.653 1.00 0.00 O ATOM 422 CB LEU A 30 -5.371 -2.817 -5.325 1.00 0.00 C ATOM 423 CG LEU A 30 -6.194 -2.395 -6.544 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.420 -3.604 -7.455 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.547 -1.847 -6.083 1.00 0.00 C ATOM 0 H LEU A 30 -6.063 -2.471 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.913 -4.360 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.214 -1.962 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.386 -3.162 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.655 -1.622 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.006 -3.301 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.458 -3.995 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.957 -4.378 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.133 -1.546 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.084 -2.620 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.389 -0.984 -5.436 1.00 0.00 H new ATOM 437 N VAL A 31 -4.092 -4.788 -3.514 1.00 0.00 N ATOM 438 CA VAL A 31 -3.110 -5.856 -3.165 1.00 0.00 C ATOM 439 C VAL A 31 -3.621 -6.684 -1.982 1.00 0.00 C ATOM 440 O VAL A 31 -4.711 -6.473 -1.487 1.00 0.00 O ATOM 441 CB VAL A 31 -1.824 -5.113 -2.789 1.00 0.00 C ATOM 442 CG1 VAL A 31 -1.398 -4.204 -3.945 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.063 -4.264 -1.537 1.00 0.00 C ATOM 0 H VAL A 31 -3.877 -3.862 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.950 -6.550 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.037 -5.840 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.483 -3.677 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.220 -4.807 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.187 -3.480 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.146 -3.738 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.853 -3.540 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.361 -4.910 -0.711 1.00 0.00 H new ATOM 453 N LYS A 32 -2.840 -7.623 -1.525 1.00 0.00 N ATOM 454 CA LYS A 32 -3.276 -8.465 -0.374 1.00 0.00 C ATOM 455 C LYS A 32 -2.070 -8.836 0.490 1.00 0.00 C ATOM 456 O LYS A 32 -1.834 -9.993 0.780 1.00 0.00 O ATOM 457 CB LYS A 32 -3.887 -9.715 -1.009 1.00 0.00 C ATOM 458 CG LYS A 32 -4.809 -10.402 -0.001 1.00 0.00 C ATOM 459 CD LYS A 32 -5.953 -11.094 -0.745 1.00 0.00 C ATOM 460 CE LYS A 32 -6.511 -12.230 0.116 1.00 0.00 C ATOM 461 NZ LYS A 32 -7.343 -11.553 1.151 1.00 0.00 N ATOM 0 H LYS A 32 -1.917 -7.845 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.985 -7.949 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.447 -9.444 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.098 -10.399 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.248 -11.131 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.208 -9.670 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.740 -10.375 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.596 -11.487 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.107 -12.921 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.709 -12.811 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.047 -11.870 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.219 -10.523 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.344 -11.793 1.003 1.00 0.00 H new ATOM 475 N GLU A 33 -1.299 -7.862 0.901 1.00 0.00 N ATOM 476 CA GLU A 33 -0.099 -8.152 1.744 1.00 0.00 C ATOM 477 C GLU A 33 0.860 -9.074 0.989 1.00 0.00 C ATOM 478 O GLU A 33 0.473 -9.778 0.079 1.00 0.00 O ATOM 479 CB GLU A 33 -0.636 -8.845 2.999 1.00 0.00 C ATOM 480 CG GLU A 33 0.268 -8.521 4.188 1.00 0.00 C ATOM 481 CD GLU A 33 0.481 -9.783 5.026 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.430 -10.593 5.082 1.00 0.00 O ATOM 483 OE2 GLU A 33 1.551 -9.918 5.596 1.00 0.00 O ATOM 0 H GLU A 33 -1.449 -6.876 0.689 1.00 0.00 H new ATOM 0 HA GLU A 33 0.454 -7.247 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.654 -8.514 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.676 -9.923 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.226 -8.139 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.182 -7.738 4.798 1.00 0.00 H new ATOM 490 N GLY A 34 2.112 -9.072 1.356 1.00 0.00 N ATOM 491 CA GLY A 34 3.091 -9.946 0.652 1.00 0.00 C ATOM 492 C GLY A 34 3.073 -9.618 -0.841 1.00 0.00 C ATOM 493 O GLY A 34 3.371 -10.449 -1.674 1.00 0.00 O ATOM 0 H GLY A 34 2.498 -8.505 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.091 -9.794 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.840 -10.995 0.809 1.00 0.00 H new ATOM 497 N ASP A 35 2.720 -8.409 -1.184 1.00 0.00 N ATOM 498 CA ASP A 35 2.678 -8.022 -2.624 1.00 0.00 C ATOM 499 C ASP A 35 3.851 -7.097 -2.958 1.00 0.00 C ATOM 500 O ASP A 35 4.296 -6.325 -2.133 1.00 0.00 O ATOM 501 CB ASP A 35 1.347 -7.289 -2.795 1.00 0.00 C ATOM 502 CG ASP A 35 1.347 -6.015 -1.947 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.805 -4.998 -2.442 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.890 -6.077 -0.818 1.00 0.00 O ATOM 0 H ASP A 35 2.459 -7.672 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 35 2.757 -8.883 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.191 -7.039 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.523 -7.937 -2.496 1.00 0.00 H new ATOM 509 N THR A 36 4.355 -7.165 -4.160 1.00 0.00 N ATOM 510 CA THR A 36 5.498 -6.286 -4.537 1.00 0.00 C ATOM 511 C THR A 36 5.034 -5.202 -5.515 1.00 0.00 C ATOM 512 O THR A 36 4.496 -5.489 -6.566 1.00 0.00 O ATOM 513 CB THR A 36 6.514 -7.215 -5.203 1.00 0.00 C ATOM 514 OG1 THR A 36 6.907 -8.221 -4.281 1.00 0.00 O ATOM 515 CG2 THR A 36 7.740 -6.409 -5.636 1.00 0.00 C ATOM 0 H THR A 36 4.026 -7.790 -4.896 1.00 0.00 H new ATOM 0 HA THR A 36 5.924 -5.772 -3.675 1.00 0.00 H new ATOM 0 HB THR A 36 6.062 -7.680 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.557 -8.819 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.463 -7.073 -6.110 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.437 -5.637 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.195 -5.942 -4.763 1.00 0.00 H new ATOM 523 N VAL A 37 5.239 -3.957 -5.176 1.00 0.00 N ATOM 524 CA VAL A 37 4.811 -2.855 -6.084 1.00 0.00 C ATOM 525 C VAL A 37 6.037 -2.187 -6.715 1.00 0.00 C ATOM 526 O VAL A 37 7.157 -2.612 -6.516 1.00 0.00 O ATOM 527 CB VAL A 37 4.066 -1.868 -5.184 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.836 -2.554 -4.585 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.992 -1.407 -4.055 1.00 0.00 C ATOM 0 H VAL A 37 5.685 -3.656 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 37 4.186 -3.211 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 37 3.752 -1.005 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.304 -1.852 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.176 -2.884 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.151 -3.416 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.461 -0.704 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.306 -2.269 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.869 -0.920 -4.480 1.00 0.00 H new ATOM 539 N LYS A 38 5.834 -1.144 -7.475 1.00 0.00 N ATOM 540 CA LYS A 38 6.992 -0.454 -8.115 1.00 0.00 C ATOM 541 C LYS A 38 6.764 1.061 -8.134 1.00 0.00 C ATOM 542 O LYS A 38 6.914 1.708 -9.151 1.00 0.00 O ATOM 543 CB LYS A 38 7.044 -1.004 -9.540 1.00 0.00 C ATOM 544 CG LYS A 38 8.416 -0.707 -10.150 1.00 0.00 C ATOM 545 CD LYS A 38 8.406 -1.080 -11.633 1.00 0.00 C ATOM 546 CE LYS A 38 8.415 0.196 -12.480 1.00 0.00 C ATOM 547 NZ LYS A 38 9.428 -0.057 -13.542 1.00 0.00 N ATOM 0 H LYS A 38 4.920 -0.741 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 38 7.923 -0.628 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.862 -2.079 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.259 -0.551 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.658 0.349 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.188 -1.271 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.275 -1.693 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.523 -1.676 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.433 0.392 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.680 1.067 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.493 0.773 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.354 -0.234 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.145 -0.887 -14.101 1.00 0.00 H new ATOM 561 N ALA A 39 6.405 1.631 -7.016 1.00 0.00 N ATOM 562 CA ALA A 39 6.171 3.104 -6.968 1.00 0.00 C ATOM 563 C ALA A 39 5.149 3.518 -8.030 1.00 0.00 C ATOM 564 O ALA A 39 5.494 3.787 -9.165 1.00 0.00 O ATOM 565 CB ALA A 39 7.532 3.735 -7.264 1.00 0.00 C ATOM 0 H ALA A 39 6.263 1.141 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 39 5.773 3.423 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.441 4.821 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.252 3.419 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.875 3.416 -8.248 1.00 0.00 H new ATOM 571 N GLY A 40 3.897 3.580 -7.671 1.00 0.00 N ATOM 572 CA GLY A 40 2.859 3.985 -8.662 1.00 0.00 C ATOM 573 C GLY A 40 1.763 2.916 -8.753 1.00 0.00 C ATOM 574 O GLY A 40 0.712 3.145 -9.316 1.00 0.00 O ATOM 0 H GLY A 40 3.547 3.368 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.422 4.940 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.317 4.130 -9.640 1.00 0.00 H new ATOM 578 N GLN A 41 1.997 1.751 -8.211 1.00 0.00 N ATOM 579 CA GLN A 41 0.962 0.677 -8.281 1.00 0.00 C ATOM 580 C GLN A 41 -0.147 0.931 -7.255 1.00 0.00 C ATOM 581 O GLN A 41 0.092 0.980 -6.065 1.00 0.00 O ATOM 582 CB GLN A 41 1.711 -0.614 -7.951 1.00 0.00 C ATOM 583 CG GLN A 41 0.844 -1.819 -8.321 1.00 0.00 C ATOM 584 CD GLN A 41 1.740 -2.971 -8.780 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.543 -2.811 -9.677 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.636 -4.134 -8.197 1.00 0.00 N ATOM 0 H GLN A 41 2.856 1.496 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 41 0.481 0.635 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.653 -0.650 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.957 -0.642 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.247 -2.128 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.146 -1.549 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.962 -4.268 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.229 -4.909 -8.495 1.00 0.00 H new ATOM 595 N THR A 42 -1.364 1.085 -7.709 1.00 0.00 N ATOM 596 CA THR A 42 -2.491 1.329 -6.760 1.00 0.00 C ATOM 597 C THR A 42 -2.644 0.139 -5.811 1.00 0.00 C ATOM 598 O THR A 42 -3.165 -0.896 -6.176 1.00 0.00 O ATOM 599 CB THR A 42 -3.731 1.473 -7.644 1.00 0.00 C ATOM 600 OG1 THR A 42 -3.370 2.102 -8.867 1.00 0.00 O ATOM 601 CG2 THR A 42 -4.778 2.321 -6.920 1.00 0.00 C ATOM 0 H THR A 42 -1.626 1.052 -8.694 1.00 0.00 H new ATOM 0 HA THR A 42 -2.328 2.212 -6.142 1.00 0.00 H new ATOM 0 HB THR A 42 -4.146 0.487 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.136 3.038 -8.697 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.662 2.424 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.054 1.837 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.365 3.308 -6.710 1.00 0.00 H new ATOM 609 N VAL A 43 -2.194 0.279 -4.595 1.00 0.00 N ATOM 610 CA VAL A 43 -2.314 -0.845 -3.625 1.00 0.00 C ATOM 611 C VAL A 43 -3.672 -0.794 -2.920 1.00 0.00 C ATOM 612 O VAL A 43 -4.146 -1.783 -2.397 1.00 0.00 O ATOM 613 CB VAL A 43 -1.180 -0.632 -2.624 1.00 0.00 C ATOM 614 CG1 VAL A 43 0.164 -0.699 -3.353 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.331 0.739 -1.959 1.00 0.00 C ATOM 0 H VAL A 43 -1.749 1.122 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.247 -1.818 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.221 -1.410 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.973 -0.547 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.274 -1.676 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.203 0.078 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.521 0.888 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.293 1.519 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.287 0.787 -1.438 1.00 0.00 H new ATOM 625 N LEU A 44 -4.302 0.350 -2.902 1.00 0.00 N ATOM 626 CA LEU A 44 -5.628 0.452 -2.226 1.00 0.00 C ATOM 627 C LEU A 44 -6.480 1.544 -2.883 1.00 0.00 C ATOM 628 O LEU A 44 -6.042 2.228 -3.785 1.00 0.00 O ATOM 629 CB LEU A 44 -5.309 0.819 -0.776 1.00 0.00 C ATOM 630 CG LEU A 44 -5.228 -0.455 0.067 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.760 -0.798 0.334 1.00 0.00 C ATOM 632 CD2 LEU A 44 -5.950 -0.235 1.397 1.00 0.00 C ATOM 0 H LEU A 44 -3.959 1.213 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.196 -0.476 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.365 1.361 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.078 1.482 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.701 -1.276 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.702 -1.706 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.245 -0.956 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.286 0.024 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.892 -1.143 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.478 0.587 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.995 0.008 1.208 1.00 0.00 H new ATOM 644 N VAL A 45 -7.697 1.705 -2.435 1.00 0.00 N ATOM 645 CA VAL A 45 -8.580 2.750 -3.031 1.00 0.00 C ATOM 646 C VAL A 45 -9.283 3.538 -1.923 1.00 0.00 C ATOM 647 O VAL A 45 -10.044 2.995 -1.148 1.00 0.00 O ATOM 648 CB VAL A 45 -9.600 1.975 -3.866 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.573 2.959 -4.520 1.00 0.00 C ATOM 650 CG2 VAL A 45 -8.873 1.181 -4.952 1.00 0.00 C ATOM 0 H VAL A 45 -8.117 1.159 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.024 3.470 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.151 1.289 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.301 2.409 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.091 3.526 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.020 3.644 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.600 0.629 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.322 1.866 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.178 0.482 -4.488 1.00 0.00 H new ATOM 660 N LEU A 46 -9.035 4.817 -1.843 1.00 0.00 N ATOM 661 CA LEU A 46 -9.691 5.638 -0.785 1.00 0.00 C ATOM 662 C LEU A 46 -10.898 6.382 -1.364 1.00 0.00 C ATOM 663 O LEU A 46 -10.987 6.605 -2.555 1.00 0.00 O ATOM 664 CB LEU A 46 -8.619 6.628 -0.328 1.00 0.00 C ATOM 665 CG LEU A 46 -8.899 7.055 1.114 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.115 6.156 2.072 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.468 8.509 1.309 1.00 0.00 C ATOM 0 H LEU A 46 -8.407 5.329 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.060 5.029 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.632 6.170 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.612 7.500 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.965 6.963 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.314 6.459 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.424 5.120 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.049 6.248 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.668 8.813 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.402 8.603 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.027 9.149 0.626 1.00 0.00 H new ATOM 679 N GLU A 47 -11.826 6.767 -0.532 1.00 0.00 N ATOM 680 CA GLU A 47 -13.025 7.496 -1.039 1.00 0.00 C ATOM 681 C GLU A 47 -13.631 8.359 0.071 1.00 0.00 C ATOM 682 O GLU A 47 -14.119 7.858 1.064 1.00 0.00 O ATOM 683 CB GLU A 47 -14.005 6.401 -1.460 1.00 0.00 C ATOM 684 CG GLU A 47 -14.837 6.888 -2.648 1.00 0.00 C ATOM 685 CD GLU A 47 -16.033 5.955 -2.852 1.00 0.00 C ATOM 686 OE1 GLU A 47 -15.822 4.848 -3.322 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.138 6.363 -2.534 1.00 0.00 O ATOM 0 H GLU A 47 -11.807 6.609 0.476 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.781 8.166 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.461 5.496 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.658 6.143 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.183 7.906 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.224 6.913 -3.549 1.00 0.00 H new ATOM 694 N ALA A 48 -13.608 9.653 -0.093 1.00 0.00 N ATOM 695 CA ALA A 48 -14.184 10.548 0.951 1.00 0.00 C ATOM 696 C ALA A 48 -15.062 11.619 0.301 1.00 0.00 C ATOM 697 O ALA A 48 -14.608 12.401 -0.511 1.00 0.00 O ATOM 698 CB ALA A 48 -12.978 11.190 1.638 1.00 0.00 C ATOM 0 H ALA A 48 -13.215 10.130 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.812 10.005 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.322 11.865 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.353 10.413 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.398 11.751 0.905 1.00 0.00 H new ATOM 704 N MET A 49 -16.318 11.665 0.654 1.00 0.00 N ATOM 705 CA MET A 49 -17.229 12.688 0.060 1.00 0.00 C ATOM 706 C MET A 49 -17.232 12.581 -1.469 1.00 0.00 C ATOM 707 O MET A 49 -17.036 13.554 -2.169 1.00 0.00 O ATOM 708 CB MET A 49 -16.666 14.040 0.505 1.00 0.00 C ATOM 709 CG MET A 49 -17.481 14.570 1.688 1.00 0.00 C ATOM 710 SD MET A 49 -18.247 16.151 1.244 1.00 0.00 S ATOM 711 CE MET A 49 -19.925 15.525 0.994 1.00 0.00 C ATOM 0 H MET A 49 -16.754 11.037 1.329 1.00 0.00 H new ATOM 0 HA MET A 49 -18.260 12.552 0.386 1.00 0.00 H new ATOM 0 HB2 MET A 49 -15.619 13.934 0.790 1.00 0.00 H new ATOM 0 HB3 MET A 49 -16.701 14.750 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 49 -18.249 13.848 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 49 -16.836 14.699 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 49 -20.581 16.347 0.708 1.00 0.00 H new ATOM 0 HE2 MET A 49 -19.919 14.774 0.204 1.00 0.00 H new ATOM 0 HE3 MET A 49 -20.288 15.077 1.919 1.00 0.00 H new ATOM 721 N LYS A 50 -17.465 11.406 -1.988 1.00 0.00 N ATOM 722 CA LYS A 50 -17.494 11.233 -3.471 1.00 0.00 C ATOM 723 C LYS A 50 -16.234 11.824 -4.112 1.00 0.00 C ATOM 724 O LYS A 50 -16.310 12.652 -4.998 1.00 0.00 O ATOM 725 CB LYS A 50 -18.735 11.998 -3.931 1.00 0.00 C ATOM 726 CG LYS A 50 -19.990 11.281 -3.429 1.00 0.00 C ATOM 727 CD LYS A 50 -20.612 10.479 -4.574 1.00 0.00 C ATOM 728 CE LYS A 50 -21.745 11.290 -5.207 1.00 0.00 C ATOM 729 NZ LYS A 50 -21.228 11.694 -6.543 1.00 0.00 N ATOM 0 H LYS A 50 -17.637 10.557 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.525 10.182 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.709 13.019 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.752 12.065 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.737 10.618 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.708 12.007 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.855 10.246 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.995 9.529 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -22.653 10.695 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.994 12.161 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -21.962 12.226 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.386 12.293 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.974 10.845 -7.088 1.00 0.00 H new ATOM 743 N MET A 51 -15.077 11.402 -3.679 1.00 0.00 N ATOM 744 CA MET A 51 -13.820 11.939 -4.276 1.00 0.00 C ATOM 745 C MET A 51 -13.084 10.840 -5.049 1.00 0.00 C ATOM 746 O MET A 51 -12.459 11.093 -6.059 1.00 0.00 O ATOM 747 CB MET A 51 -12.982 12.411 -3.087 1.00 0.00 C ATOM 748 CG MET A 51 -13.143 13.923 -2.917 1.00 0.00 C ATOM 749 SD MET A 51 -11.522 14.675 -2.635 1.00 0.00 S ATOM 750 CE MET A 51 -12.057 15.931 -1.447 1.00 0.00 C ATOM 0 H MET A 51 -14.947 10.711 -2.940 1.00 0.00 H new ATOM 0 HA MET A 51 -14.015 12.746 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.297 11.897 -2.179 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.933 12.162 -3.246 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.605 14.352 -3.806 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.806 14.137 -2.078 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.198 16.524 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.796 16.582 -1.914 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.500 15.445 -0.578 1.00 0.00 H new ATOM 760 N GLU A 52 -13.151 9.621 -4.580 1.00 0.00 N ATOM 761 CA GLU A 52 -12.452 8.507 -5.288 1.00 0.00 C ATOM 762 C GLU A 52 -10.965 8.836 -5.454 1.00 0.00 C ATOM 763 O GLU A 52 -10.579 9.579 -6.334 1.00 0.00 O ATOM 764 CB GLU A 52 -13.135 8.405 -6.653 1.00 0.00 C ATOM 765 CG GLU A 52 -12.630 7.161 -7.388 1.00 0.00 C ATOM 766 CD GLU A 52 -13.073 5.905 -6.634 1.00 0.00 C ATOM 767 OE1 GLU A 52 -14.186 5.461 -6.867 1.00 0.00 O ATOM 768 OE2 GLU A 52 -12.293 5.408 -5.839 1.00 0.00 O ATOM 0 H GLU A 52 -13.659 9.349 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.511 7.569 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.216 8.351 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.927 9.298 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.021 7.144 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.543 7.187 -7.464 1.00 0.00 H new ATOM 775 N THR A 53 -10.130 8.289 -4.615 1.00 0.00 N ATOM 776 CA THR A 53 -8.670 8.572 -4.725 1.00 0.00 C ATOM 777 C THR A 53 -7.871 7.264 -4.710 1.00 0.00 C ATOM 778 O THR A 53 -7.739 6.618 -3.690 1.00 0.00 O ATOM 779 CB THR A 53 -8.335 9.419 -3.495 1.00 0.00 C ATOM 780 OG1 THR A 53 -9.021 10.660 -3.579 1.00 0.00 O ATOM 781 CG2 THR A 53 -6.827 9.671 -3.436 1.00 0.00 C ATOM 0 H THR A 53 -10.394 7.658 -3.858 1.00 0.00 H new ATOM 0 HA THR A 53 -8.420 9.085 -5.654 1.00 0.00 H new ATOM 0 HB THR A 53 -8.645 8.889 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.810 11.204 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.593 10.274 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.301 8.718 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.511 10.200 -4.335 1.00 0.00 H new ATOM 789 N GLU A 54 -7.336 6.873 -5.834 1.00 0.00 N ATOM 790 CA GLU A 54 -6.543 5.612 -5.883 1.00 0.00 C ATOM 791 C GLU A 54 -5.316 5.729 -4.973 1.00 0.00 C ATOM 792 O GLU A 54 -4.781 6.801 -4.775 1.00 0.00 O ATOM 793 CB GLU A 54 -6.117 5.470 -7.344 1.00 0.00 C ATOM 794 CG GLU A 54 -7.121 4.585 -8.086 1.00 0.00 C ATOM 795 CD GLU A 54 -6.756 4.533 -9.571 1.00 0.00 C ATOM 796 OE1 GLU A 54 -6.278 5.535 -10.078 1.00 0.00 O ATOM 797 OE2 GLU A 54 -6.960 3.493 -10.175 1.00 0.00 O ATOM 0 H GLU A 54 -7.414 7.372 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.113 4.748 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.064 6.451 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.120 5.034 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.117 3.580 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.130 4.979 -7.962 1.00 0.00 H new ATOM 804 N ILE A 55 -4.867 4.636 -4.415 1.00 0.00 N ATOM 805 CA ILE A 55 -3.677 4.699 -3.519 1.00 0.00 C ATOM 806 C ILE A 55 -2.481 3.988 -4.160 1.00 0.00 C ATOM 807 O ILE A 55 -2.233 2.822 -3.918 1.00 0.00 O ATOM 808 CB ILE A 55 -4.109 3.988 -2.234 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.226 4.791 -1.563 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.917 3.880 -1.279 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.669 4.083 -0.281 1.00 0.00 C ATOM 0 H ILE A 55 -5.271 3.708 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.360 5.725 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.469 2.988 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.876 5.797 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.071 4.896 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.228 3.373 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.119 3.311 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.555 4.879 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.464 4.656 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.036 3.086 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.822 4.001 0.401 1.00 0.00 H new ATOM 823 N ASN A 56 -1.737 4.692 -4.973 1.00 0.00 N ATOM 824 CA ASN A 56 -0.547 4.080 -5.633 1.00 0.00 C ATOM 825 C ASN A 56 0.664 4.144 -4.705 1.00 0.00 C ATOM 826 O ASN A 56 1.017 5.190 -4.199 1.00 0.00 O ATOM 827 CB ASN A 56 -0.306 4.928 -6.883 1.00 0.00 C ATOM 828 CG ASN A 56 -1.534 4.859 -7.793 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.585 4.410 -7.380 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.444 5.287 -9.021 1.00 0.00 N ATOM 0 H ASN A 56 -1.904 5.670 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.707 3.030 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.107 5.962 -6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.574 4.568 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.256 5.245 -9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.561 5.664 -9.366 1.00 0.00 H new ATOM 837 N ALA A 57 1.304 3.028 -4.485 1.00 0.00 N ATOM 838 CA ALA A 57 2.502 3.011 -3.592 1.00 0.00 C ATOM 839 C ALA A 57 3.463 4.148 -3.969 1.00 0.00 C ATOM 840 O ALA A 57 3.584 4.492 -5.129 1.00 0.00 O ATOM 841 CB ALA A 57 3.155 1.651 -3.839 1.00 0.00 C ATOM 0 H ALA A 57 1.050 2.125 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 57 2.240 3.155 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.046 1.557 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.451 0.858 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.434 1.567 -4.889 1.00 0.00 H new ATOM 847 N PRO A 58 4.112 4.704 -2.975 1.00 0.00 N ATOM 848 CA PRO A 58 5.059 5.818 -3.223 1.00 0.00 C ATOM 849 C PRO A 58 6.336 5.302 -3.892 1.00 0.00 C ATOM 850 O PRO A 58 6.827 5.881 -4.841 1.00 0.00 O ATOM 851 CB PRO A 58 5.356 6.356 -1.826 1.00 0.00 C ATOM 852 CG PRO A 58 5.093 5.207 -0.904 1.00 0.00 C ATOM 853 CD PRO A 58 4.032 4.355 -1.551 1.00 0.00 C ATOM 0 HA PRO A 58 4.656 6.579 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.388 6.698 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.719 7.207 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.003 4.630 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.760 5.563 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.220 3.294 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.044 4.570 -1.143 1.00 0.00 H new ATOM 861 N THR A 59 6.879 4.219 -3.408 1.00 0.00 N ATOM 862 CA THR A 59 8.123 3.676 -4.022 1.00 0.00 C ATOM 863 C THR A 59 8.036 2.152 -4.147 1.00 0.00 C ATOM 864 O THR A 59 7.277 1.503 -3.453 1.00 0.00 O ATOM 865 CB THR A 59 9.248 4.078 -3.067 1.00 0.00 C ATOM 866 OG1 THR A 59 10.496 3.665 -3.607 1.00 0.00 O ATOM 867 CG2 THR A 59 9.034 3.411 -1.707 1.00 0.00 C ATOM 0 H THR A 59 6.516 3.688 -2.616 1.00 0.00 H new ATOM 0 HA THR A 59 8.288 4.063 -5.028 1.00 0.00 H new ATOM 0 HB THR A 59 9.245 5.161 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.218 3.923 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.838 3.700 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.078 3.729 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.034 2.328 -1.829 1.00 0.00 H new ATOM 875 N ASP A 60 8.807 1.577 -5.029 1.00 0.00 N ATOM 876 CA ASP A 60 8.772 0.097 -5.202 1.00 0.00 C ATOM 877 C ASP A 60 9.074 -0.601 -3.872 1.00 0.00 C ATOM 878 O ASP A 60 9.638 -0.018 -2.968 1.00 0.00 O ATOM 879 CB ASP A 60 9.865 -0.206 -6.227 1.00 0.00 C ATOM 880 CG ASP A 60 11.219 0.246 -5.677 1.00 0.00 C ATOM 881 OD1 ASP A 60 11.870 -0.555 -5.026 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.581 1.387 -5.914 1.00 0.00 O ATOM 0 H ASP A 60 9.461 2.069 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 60 7.795 -0.257 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.887 -1.274 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.652 0.307 -7.165 1.00 0.00 H new ATOM 887 N GLY A 61 8.703 -1.847 -3.749 1.00 0.00 N ATOM 888 CA GLY A 61 8.971 -2.580 -2.477 1.00 0.00 C ATOM 889 C GLY A 61 7.870 -3.616 -2.241 1.00 0.00 C ATOM 890 O GLY A 61 6.854 -3.619 -2.907 1.00 0.00 O ATOM 0 H GLY A 61 8.228 -2.388 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.943 -3.072 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.010 -1.879 -1.643 1.00 0.00 H new ATOM 894 N LYS A 62 8.065 -4.496 -1.296 1.00 0.00 N ATOM 895 CA LYS A 62 7.030 -5.533 -1.015 1.00 0.00 C ATOM 896 C LYS A 62 6.350 -5.252 0.328 1.00 0.00 C ATOM 897 O LYS A 62 6.990 -4.873 1.289 1.00 0.00 O ATOM 898 CB LYS A 62 7.797 -6.855 -0.966 1.00 0.00 C ATOM 899 CG LYS A 62 6.809 -8.021 -0.895 1.00 0.00 C ATOM 900 CD LYS A 62 7.572 -9.345 -0.977 1.00 0.00 C ATOM 901 CE LYS A 62 8.110 -9.714 0.407 1.00 0.00 C ATOM 902 NZ LYS A 62 8.072 -11.203 0.448 1.00 0.00 N ATOM 0 H LYS A 62 8.896 -4.542 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 62 6.243 -5.548 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.428 -6.954 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.457 -6.872 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.241 -7.974 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.090 -7.952 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.915 -10.133 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.395 -9.259 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.124 -9.341 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.497 -9.281 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.426 -11.534 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.093 -11.529 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.670 -11.587 -0.312 1.00 0.00 H new ATOM 916 N VAL A 63 5.057 -5.432 0.407 1.00 0.00 N ATOM 917 CA VAL A 63 4.350 -5.170 1.695 1.00 0.00 C ATOM 918 C VAL A 63 4.831 -6.154 2.764 1.00 0.00 C ATOM 919 O VAL A 63 4.954 -7.339 2.527 1.00 0.00 O ATOM 920 CB VAL A 63 2.856 -5.363 1.384 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.053 -5.565 2.678 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.332 -4.117 0.673 1.00 0.00 C ATOM 0 H VAL A 63 4.463 -5.747 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 63 4.544 -4.170 2.083 1.00 0.00 H new ATOM 0 HB VAL A 63 2.741 -6.245 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.999 -5.700 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.421 -6.448 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.169 -4.691 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.273 -4.245 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.464 -3.248 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.884 -3.968 -0.255 1.00 0.00 H new ATOM 932 N GLU A 64 5.093 -5.666 3.944 1.00 0.00 N ATOM 933 CA GLU A 64 5.554 -6.564 5.037 1.00 0.00 C ATOM 934 C GLU A 64 4.392 -6.877 5.980 1.00 0.00 C ATOM 935 O GLU A 64 4.439 -7.819 6.745 1.00 0.00 O ATOM 936 CB GLU A 64 6.637 -5.773 5.771 1.00 0.00 C ATOM 937 CG GLU A 64 7.814 -5.519 4.827 1.00 0.00 C ATOM 938 CD GLU A 64 8.805 -6.683 4.915 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.716 -7.443 5.866 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.638 -6.793 4.030 1.00 0.00 O ATOM 0 H GLU A 64 5.007 -4.682 4.198 1.00 0.00 H new ATOM 0 HA GLU A 64 5.929 -7.516 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.232 -4.826 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.974 -6.325 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.455 -5.411 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.310 -4.585 5.091 1.00 0.00 H new ATOM 947 N LYS A 65 3.343 -6.094 5.935 1.00 0.00 N ATOM 948 CA LYS A 65 2.178 -6.352 6.836 1.00 0.00 C ATOM 949 C LYS A 65 1.083 -5.308 6.604 1.00 0.00 C ATOM 950 O LYS A 65 1.340 -4.213 6.147 1.00 0.00 O ATOM 951 CB LYS A 65 2.732 -6.231 8.260 1.00 0.00 C ATOM 952 CG LYS A 65 2.542 -7.557 8.998 1.00 0.00 C ATOM 953 CD LYS A 65 3.154 -7.455 10.397 1.00 0.00 C ATOM 954 CE LYS A 65 2.129 -7.917 11.436 1.00 0.00 C ATOM 955 NZ LYS A 65 1.761 -6.682 12.184 1.00 0.00 N ATOM 0 H LYS A 65 3.243 -5.290 5.315 1.00 0.00 H new ATOM 0 HA LYS A 65 1.733 -7.330 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.790 -5.969 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.221 -5.430 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.481 -7.796 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.014 -8.366 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.052 -8.069 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.456 -6.427 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.257 -8.365 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.552 -8.671 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.060 -6.915 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.610 -6.282 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.356 -5.986 11.526 1.00 0.00 H new ATOM 969 N VAL A 66 -0.138 -5.640 6.926 1.00 0.00 N ATOM 970 CA VAL A 66 -1.254 -4.670 6.737 1.00 0.00 C ATOM 971 C VAL A 66 -2.028 -4.507 8.049 1.00 0.00 C ATOM 972 O VAL A 66 -2.455 -5.472 8.651 1.00 0.00 O ATOM 973 CB VAL A 66 -2.147 -5.282 5.652 1.00 0.00 C ATOM 974 CG1 VAL A 66 -1.388 -5.307 4.324 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.536 -6.712 6.040 1.00 0.00 C ATOM 0 H VAL A 66 -0.411 -6.543 7.313 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.898 -3.681 6.448 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.050 -4.680 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.022 -5.742 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.116 -4.290 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.484 -5.907 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.171 -7.140 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.636 -7.317 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.079 -6.698 6.985 1.00 0.00 H new ATOM 985 N LEU A 67 -2.208 -3.297 8.504 1.00 0.00 N ATOM 986 CA LEU A 67 -2.950 -3.092 9.781 1.00 0.00 C ATOM 987 C LEU A 67 -4.364 -2.567 9.497 1.00 0.00 C ATOM 988 O LEU A 67 -5.278 -2.768 10.272 1.00 0.00 O ATOM 989 CB LEU A 67 -2.122 -2.067 10.571 1.00 0.00 C ATOM 990 CG LEU A 67 -2.250 -0.676 9.941 1.00 0.00 C ATOM 991 CD1 LEU A 67 -3.222 0.167 10.770 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.881 0.005 9.915 1.00 0.00 C ATOM 0 H LEU A 67 -1.876 -2.446 8.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.073 -4.019 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.461 -2.037 11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.075 -2.371 10.587 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.624 -0.772 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.316 1.158 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.199 -0.316 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.845 0.261 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.975 0.994 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.504 0.103 10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.187 -0.596 9.327 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.549 -1.900 8.390 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.901 -1.368 8.058 1.00 0.00 C ATOM 1006 C VAL A 68 -6.604 -2.305 7.074 1.00 0.00 C ATOM 1007 O VAL A 68 -5.973 -2.970 6.276 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.641 -0.004 7.413 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -6.961 0.586 6.911 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.024 0.938 8.447 1.00 0.00 C ATOM 0 H VAL A 68 -3.823 -1.701 7.702 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.544 -1.286 8.934 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.956 -0.125 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.774 1.557 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.402 -0.085 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.648 0.707 7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.838 1.910 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.710 1.057 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.083 0.520 8.805 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.906 -2.366 7.124 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.644 -3.264 6.190 1.00 0.00 C ATOM 1022 C LYS A 69 -9.703 -2.470 5.421 1.00 0.00 C ATOM 1023 O LYS A 69 -9.684 -1.256 5.394 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.304 -4.312 7.087 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.764 -5.699 6.736 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.924 -6.693 6.652 1.00 0.00 C ATOM 1027 CE LYS A 69 -9.374 -8.121 6.647 1.00 0.00 C ATOM 1028 NZ LYS A 69 -9.722 -8.661 5.304 1.00 0.00 N ATOM 0 H LYS A 69 -8.490 -1.834 7.769 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.988 -3.719 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.104 -4.087 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.386 -4.288 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.232 -5.664 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.047 -6.023 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.597 -6.554 7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.506 -6.513 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.296 -8.130 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.821 -8.719 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.377 -9.639 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.755 -8.646 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.277 -8.075 4.568 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.628 -3.147 4.795 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.686 -2.430 4.030 1.00 0.00 C ATOM 1044 C GLU A 70 -12.768 -1.914 4.983 1.00 0.00 C ATOM 1045 O GLU A 70 -13.008 -2.483 6.030 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.265 -3.476 3.077 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.165 -3.980 2.141 1.00 0.00 C ATOM 1048 CD GLU A 70 -10.754 -5.397 2.549 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.585 -6.284 2.455 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -9.614 -5.570 2.948 1.00 0.00 O ATOM 0 H GLU A 70 -10.696 -4.165 4.781 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.295 -1.565 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.684 -4.308 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.080 -3.043 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.520 -3.976 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.303 -3.314 2.184 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.421 -0.840 4.631 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.487 -0.289 5.520 1.00 0.00 C ATOM 1059 C ARG A 71 -13.946 -0.092 6.938 1.00 0.00 C ATOM 1060 O ARG A 71 -14.626 -0.340 7.914 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.595 -1.343 5.509 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.943 -0.666 5.258 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.677 -0.479 6.589 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.748 -1.514 6.586 1.00 0.00 N ATOM 1065 CZ ARG A 71 -19.734 -1.431 5.736 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -20.278 -0.272 5.481 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.179 -2.504 5.144 1.00 0.00 N ATOM 0 H ARG A 71 -13.264 -0.320 3.768 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.845 0.683 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.399 -2.084 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.615 -1.875 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.793 0.299 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.545 -1.271 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.002 -0.612 7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.097 0.524 6.671 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.710 -2.288 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.932 0.567 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.049 -0.206 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.756 -3.410 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.950 -2.437 4.480 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.725 0.354 7.059 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.139 0.567 8.414 1.00 0.00 C ATOM 1083 C ASP A 72 -12.185 2.053 8.786 1.00 0.00 C ATOM 1084 O ASP A 72 -12.098 2.410 9.942 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.693 0.084 8.299 1.00 0.00 C ATOM 1086 CG ASP A 72 -10.530 -1.228 9.069 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -11.479 -1.994 9.101 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -9.458 -1.445 9.612 1.00 0.00 O ATOM 0 H ASP A 72 -12.108 0.580 6.279 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.687 0.032 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.429 -0.062 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.014 0.838 8.697 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.325 2.917 7.810 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.382 4.385 8.093 1.00 0.00 C ATOM 1095 C ALA A 73 -11.136 4.843 8.863 1.00 0.00 C ATOM 1096 O ALA A 73 -10.946 4.508 10.015 1.00 0.00 O ATOM 1097 CB ALA A 73 -13.644 4.586 8.933 1.00 0.00 C ATOM 0 H ALA A 73 -12.403 2.667 6.824 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.408 4.972 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.752 5.642 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.514 4.254 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.566 4.005 9.852 1.00 0.00 H new ATOM 1103 N VAL A 74 -10.290 5.613 8.235 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.062 6.094 8.933 1.00 0.00 C ATOM 1105 C VAL A 74 -9.020 7.626 8.945 1.00 0.00 C ATOM 1106 O VAL A 74 -9.449 8.276 8.012 1.00 0.00 O ATOM 1107 CB VAL A 74 -7.897 5.530 8.117 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.032 4.009 8.020 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -7.914 6.132 6.711 1.00 0.00 C ATOM 0 H VAL A 74 -10.395 5.930 7.271 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.026 5.771 9.973 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.957 5.783 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.202 3.606 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.017 3.578 9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.973 3.758 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.083 5.728 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.854 5.882 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.817 7.216 6.778 1.00 0.00 H new ATOM 1119 N GLN A 75 -8.504 8.207 9.994 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.432 9.694 10.065 1.00 0.00 C ATOM 1121 C GLN A 75 -7.049 10.178 9.619 1.00 0.00 C ATOM 1122 O GLN A 75 -6.143 9.395 9.416 1.00 0.00 O ATOM 1123 CB GLN A 75 -8.672 10.032 11.537 1.00 0.00 C ATOM 1124 CG GLN A 75 -9.893 10.945 11.657 1.00 0.00 C ATOM 1125 CD GLN A 75 -9.724 11.873 12.862 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -9.014 11.553 13.795 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -10.350 13.017 12.881 1.00 0.00 N ATOM 0 H GLN A 75 -8.129 7.716 10.805 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.161 10.175 9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.830 9.118 12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.794 10.524 11.956 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.011 11.533 10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.797 10.347 11.770 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.946 13.285 12.098 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.244 13.643 13.679 1.00 0.00 H new ATOM 1136 N GLY A 76 -6.881 11.464 9.463 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.558 11.996 9.029 1.00 0.00 C ATOM 1138 C GLY A 76 -4.504 11.677 10.090 1.00 0.00 C ATOM 1139 O GLY A 76 -4.608 12.094 11.227 1.00 0.00 O ATOM 0 H GLY A 76 -7.603 12.168 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.273 11.555 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.620 13.073 8.876 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.488 10.942 9.729 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.429 10.598 10.719 1.00 0.00 C ATOM 1145 C GLY A 77 -2.654 9.176 11.231 1.00 0.00 C ATOM 1146 O GLY A 77 -2.571 8.910 12.413 1.00 0.00 O ATOM 0 H GLY A 77 -3.346 10.565 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.445 10.678 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.450 11.303 11.550 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.942 8.260 10.348 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.174 6.853 10.781 1.00 0.00 C ATOM 1152 C GLN A 78 -2.413 5.891 9.866 1.00 0.00 C ATOM 1153 O GLN A 78 -2.565 5.916 8.660 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.682 6.640 10.646 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.265 6.235 12.002 1.00 0.00 C ATOM 1156 CD GLN A 78 -6.037 7.413 12.598 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.724 8.124 11.891 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.955 7.651 13.878 1.00 0.00 N ATOM 0 H GLN A 78 -3.027 8.425 9.345 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.827 6.670 11.798 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.159 7.554 10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.886 5.867 9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.926 5.376 11.884 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.465 5.931 12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.379 7.055 14.472 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.467 8.433 14.285 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.594 5.043 10.427 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.828 4.082 9.583 1.00 0.00 C ATOM 1169 C GLY A 79 -1.796 3.285 8.707 1.00 0.00 C ATOM 1170 O GLY A 79 -2.857 2.887 9.145 1.00 0.00 O ATOM 0 H GLY A 79 -1.423 4.974 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.114 4.619 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.252 3.406 10.215 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.444 3.051 7.474 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.355 2.281 6.576 1.00 0.00 C ATOM 1176 C LEU A 80 -1.794 0.878 6.323 1.00 0.00 C ATOM 1177 O LEU A 80 -2.413 -0.117 6.649 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.403 3.082 5.274 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.396 4.237 5.421 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.980 5.389 4.505 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.796 3.757 5.035 1.00 0.00 C ATOM 0 H LEU A 80 -0.569 3.357 7.049 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.346 2.151 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.412 3.469 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.700 2.436 4.448 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.402 4.581 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.688 6.211 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.983 5.731 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.973 5.047 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.504 4.579 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.790 3.412 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.093 2.937 5.689 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.628 0.791 5.741 1.00 0.00 N ATOM 1194 CA ILE A 81 -0.031 -0.547 5.464 1.00 0.00 C ATOM 1195 C ILE A 81 1.489 -0.501 5.658 1.00 0.00 C ATOM 1196 O ILE A 81 2.115 0.525 5.483 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.376 -0.836 4.002 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.153 -2.219 3.617 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.269 0.223 3.106 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -0.629 -2.749 2.413 1.00 0.00 C ATOM 0 H ILE A 81 -0.064 1.588 5.446 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.412 -1.317 6.135 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.458 -0.811 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.215 -2.160 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.054 -2.905 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.023 0.017 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.107 1.209 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.351 0.199 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.252 -3.734 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.686 -2.824 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.507 -2.067 1.571 1.00 0.00 H new ATOM 1212 N LYS A 82 2.086 -1.605 6.014 1.00 0.00 N ATOM 1213 CA LYS A 82 3.565 -1.623 6.215 1.00 0.00 C ATOM 1214 C LYS A 82 4.263 -2.102 4.939 1.00 0.00 C ATOM 1215 O LYS A 82 3.771 -2.963 4.238 1.00 0.00 O ATOM 1216 CB LYS A 82 3.799 -2.613 7.357 1.00 0.00 C ATOM 1217 CG LYS A 82 5.224 -2.453 7.891 1.00 0.00 C ATOM 1218 CD LYS A 82 5.266 -2.849 9.370 1.00 0.00 C ATOM 1219 CE LYS A 82 5.969 -4.199 9.520 1.00 0.00 C ATOM 1220 NZ LYS A 82 7.020 -3.972 10.550 1.00 0.00 N ATOM 0 H LYS A 82 1.615 -2.495 6.175 1.00 0.00 H new ATOM 0 HA LYS A 82 3.963 -0.635 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.079 -2.439 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.644 -3.633 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.910 -3.076 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.554 -1.421 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.792 -2.088 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.254 -2.908 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.271 -4.975 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.405 -4.524 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.547 -4.855 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.674 -3.233 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.574 -3.670 11.440 1.00 0.00 H new ATOM 1234 N ILE A 83 5.406 -1.552 4.631 1.00 0.00 N ATOM 1235 CA ILE A 83 6.129 -1.980 3.398 1.00 0.00 C ATOM 1236 C ILE A 83 7.622 -2.159 3.694 1.00 0.00 C ATOM 1237 O ILE A 83 8.170 -1.525 4.574 1.00 0.00 O ATOM 1238 CB ILE A 83 5.903 -0.847 2.393 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.508 -1.234 1.041 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.569 0.435 2.897 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.894 -0.364 -0.057 1.00 0.00 C ATOM 0 H ILE A 83 5.870 -0.827 5.178 1.00 0.00 H new ATOM 0 HA ILE A 83 5.770 -2.936 3.017 1.00 0.00 H new ATOM 0 HB ILE A 83 4.832 -0.677 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.590 -1.102 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.320 -2.287 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.405 1.237 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.138 0.715 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.639 0.267 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.323 -0.638 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.815 -0.519 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.105 0.685 0.149 1.00 0.00 H new ATOM 1253 N GLY A 84 8.281 -3.019 2.967 1.00 0.00 N ATOM 1254 CA GLY A 84 9.736 -3.240 3.208 1.00 0.00 C ATOM 1255 C GLY A 84 10.519 -1.991 2.798 1.00 0.00 C ATOM 1256 O GLY A 84 11.720 -1.975 3.011 1.00 0.00 O ATOM 1257 OXT GLY A 84 9.904 -1.076 2.277 1.00 0.00 O ATOM 0 H GLY A 84 7.875 -3.578 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.911 -3.462 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.083 -4.102 2.638 1.00 0.00 H new TER 1261 GLY A 84