USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 11 CYS SG : rot 180:sc= -0.176 USER MOD Set 1.3: A 14 CYS SG : rot -150:sc= 0.249 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -132:sc= -0.898 (180deg=-1.43) USER MOD Single : A 12 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 13 HIS : no HD1:sc=-0.00156 X(o=-0.0016,f=0) USER MOD Single : A 16 MET CE :methyl -146:sc= 0 (180deg=-0.000153) USER MOD Single : A 19 THR OG1 : rot 58:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0332) USER MOD Single : A 23 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.389) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.244) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -0.0494 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.053 -3.115 7.020 1.00 0.00 N ATOM 2 CA MET A 1 -9.597 -2.939 6.955 1.00 0.00 C ATOM 3 C MET A 1 -8.992 -4.091 6.179 1.00 0.00 C ATOM 4 O MET A 1 -9.110 -5.256 6.578 1.00 0.00 O ATOM 5 CB MET A 1 -8.927 -2.777 8.329 1.00 0.00 C ATOM 6 CG MET A 1 -7.399 -2.955 8.268 1.00 0.00 C ATOM 7 SD MET A 1 -6.476 -2.374 9.714 1.00 0.00 S ATOM 8 CE MET A 1 -6.415 -0.610 9.312 1.00 0.00 C ATOM 0 H1 MET A 1 -11.475 -2.327 7.552 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.444 -3.131 6.056 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.273 -4.012 7.498 1.00 0.00 H new ATOM 0 HA MET A 1 -9.407 -1.998 6.438 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.158 -1.789 8.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.347 -3.506 9.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.182 -4.013 8.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.026 -2.430 7.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.878 -0.076 10.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.900 -0.471 8.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.430 -0.219 9.236 1.00 0.00 H new ATOM 18 N LEU A 2 -8.330 -3.758 5.077 1.00 0.00 N ATOM 19 CA LEU A 2 -7.666 -4.709 4.204 1.00 0.00 C ATOM 20 C LEU A 2 -6.192 -4.806 4.557 1.00 0.00 C ATOM 21 O LEU A 2 -5.665 -4.001 5.328 1.00 0.00 O ATOM 22 CB LEU A 2 -7.831 -4.258 2.748 1.00 0.00 C ATOM 23 CG LEU A 2 -9.174 -4.723 2.174 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.600 -3.815 1.024 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.118 -6.179 1.693 1.00 0.00 C ATOM 0 H LEU A 2 -8.240 -2.792 4.761 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.117 -5.693 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.765 -3.172 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.016 -4.659 2.145 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.909 -4.664 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.555 -4.156 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.703 -2.792 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.846 -3.847 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.090 -6.468 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.362 -6.276 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.862 -6.829 2.530 1.00 0.00 H new ATOM 37 N LYS A 3 -5.533 -5.795 3.960 1.00 0.00 N ATOM 38 CA LYS A 3 -4.118 -6.092 4.121 1.00 0.00 C ATOM 39 C LYS A 3 -3.540 -6.454 2.759 1.00 0.00 C ATOM 40 O LYS A 3 -4.073 -7.322 2.062 1.00 0.00 O ATOM 41 CB LYS A 3 -3.946 -7.229 5.137 1.00 0.00 C ATOM 42 CG LYS A 3 -2.471 -7.459 5.510 1.00 0.00 C ATOM 43 CD LYS A 3 -2.321 -8.556 6.574 1.00 0.00 C ATOM 44 CE LYS A 3 -2.675 -9.948 6.032 1.00 0.00 C ATOM 45 NZ LYS A 3 -3.119 -10.857 7.102 1.00 0.00 N ATOM 0 H LYS A 3 -5.996 -6.441 3.320 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.580 -5.225 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.515 -6.998 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.362 -8.148 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.909 -7.737 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.040 -6.529 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.295 -8.563 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.964 -8.325 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.462 -9.857 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.806 -10.374 5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.349 -11.786 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.359 -10.965 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.963 -10.463 7.564 1.00 0.00 H new ATOM 59 N LEU A 4 -2.440 -5.808 2.398 1.00 0.00 N ATOM 60 CA LEU A 4 -1.685 -5.965 1.166 1.00 0.00 C ATOM 61 C LEU A 4 -0.248 -6.256 1.527 1.00 0.00 C ATOM 62 O LEU A 4 0.234 -5.855 2.591 1.00 0.00 O ATOM 63 CB LEU A 4 -1.665 -4.643 0.355 1.00 0.00 C ATOM 64 CG LEU A 4 -2.590 -4.713 -0.878 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.301 -3.405 -1.245 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.803 -5.131 -2.110 1.00 0.00 C ATOM 0 H LEU A 4 -2.021 -5.106 3.008 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.146 -6.761 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.976 -3.818 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.646 -4.429 0.033 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.350 -5.438 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.925 -3.564 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.925 -3.084 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.559 -2.636 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.471 -5.175 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.013 -4.405 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.360 -6.113 -1.943 1.00 0.00 H new ATOM 78 N LYS A 5 0.438 -6.891 0.592 1.00 0.00 N ATOM 79 CA LYS A 5 1.837 -7.226 0.673 1.00 0.00 C ATOM 80 C LYS A 5 2.476 -6.387 -0.406 1.00 0.00 C ATOM 81 O LYS A 5 1.947 -6.323 -1.512 1.00 0.00 O ATOM 82 CB LYS A 5 2.040 -8.705 0.369 1.00 0.00 C ATOM 83 CG LYS A 5 3.521 -9.104 0.381 1.00 0.00 C ATOM 84 CD LYS A 5 3.600 -10.627 0.382 1.00 0.00 C ATOM 85 CE LYS A 5 5.039 -11.123 0.256 1.00 0.00 C ATOM 86 NZ LYS A 5 5.070 -12.589 0.385 1.00 0.00 N ATOM 0 H LYS A 5 0.009 -7.198 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 5 2.258 -7.041 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.499 -9.302 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.612 -8.935 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.032 -8.697 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.018 -8.696 1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.163 -11.013 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.006 -11.022 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.454 -10.824 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.660 -10.667 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.051 -12.924 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.690 -12.864 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.491 -13.016 -0.366 1.00 0.00 H new ATOM 100 N VAL A 6 3.598 -5.776 -0.086 1.00 0.00 N ATOM 101 CA VAL A 6 4.390 -4.945 -0.974 1.00 0.00 C ATOM 102 C VAL A 6 5.767 -5.575 -1.107 1.00 0.00 C ATOM 103 O VAL A 6 6.380 -5.986 -0.115 1.00 0.00 O ATOM 104 CB VAL A 6 4.561 -3.529 -0.403 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.057 -2.560 -1.487 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.284 -2.975 0.215 1.00 0.00 C ATOM 0 H VAL A 6 4.004 -5.848 0.847 1.00 0.00 H new ATOM 0 HA VAL A 6 3.884 -4.875 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 6 5.303 -3.615 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.171 -1.564 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.018 -2.903 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.334 -2.525 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.471 -1.973 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.502 -2.933 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.964 -3.623 1.031 1.00 0.00 H new ATOM 116 N GLU A 7 6.288 -5.600 -2.323 1.00 0.00 N ATOM 117 CA GLU A 7 7.592 -6.121 -2.661 1.00 0.00 C ATOM 118 C GLU A 7 8.224 -5.055 -3.554 1.00 0.00 C ATOM 119 O GLU A 7 7.593 -4.556 -4.493 1.00 0.00 O ATOM 120 CB GLU A 7 7.515 -7.520 -3.306 1.00 0.00 C ATOM 121 CG GLU A 7 6.843 -8.549 -2.377 1.00 0.00 C ATOM 122 CD GLU A 7 7.235 -9.999 -2.671 1.00 0.00 C ATOM 123 OE1 GLU A 7 6.578 -10.670 -3.503 1.00 0.00 O ATOM 124 OE2 GLU A 7 8.183 -10.504 -2.026 1.00 0.00 O ATOM 0 H GLU A 7 5.786 -5.240 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 7 8.210 -6.295 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.958 -7.458 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.520 -7.860 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.102 -8.315 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.761 -8.451 -2.464 1.00 0.00 H new ATOM 131 N GLY A 8 9.445 -4.649 -3.209 1.00 0.00 N ATOM 132 CA GLY A 8 10.209 -3.647 -3.930 1.00 0.00 C ATOM 133 C GLY A 8 10.653 -2.499 -3.032 1.00 0.00 C ATOM 134 O GLY A 8 11.501 -1.714 -3.467 1.00 0.00 O ATOM 0 H GLY A 8 9.938 -5.021 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.086 -4.115 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.606 -3.253 -4.748 1.00 0.00 H new ATOM 138 N MET A 9 10.093 -2.339 -1.825 1.00 0.00 N ATOM 139 CA MET A 9 10.519 -1.266 -0.933 1.00 0.00 C ATOM 140 C MET A 9 11.885 -1.665 -0.383 1.00 0.00 C ATOM 141 O MET A 9 12.057 -2.803 0.057 1.00 0.00 O ATOM 142 CB MET A 9 9.536 -1.047 0.228 1.00 0.00 C ATOM 143 CG MET A 9 8.135 -0.676 -0.252 1.00 0.00 C ATOM 144 SD MET A 9 6.952 -0.223 1.049 1.00 0.00 S ATOM 145 CE MET A 9 6.940 -1.739 2.040 1.00 0.00 C ATOM 0 H MET A 9 9.353 -2.934 -1.452 1.00 0.00 H new ATOM 0 HA MET A 9 10.559 -0.328 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.482 -1.954 0.829 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.915 -0.257 0.876 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.218 0.158 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.727 -1.518 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.910 -2.033 2.243 1.00 0.00 H new ATOM 0 HE2 MET A 9 7.443 -2.536 1.492 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.460 -1.562 2.982 1.00 0.00 H new ATOM 155 N THR A 10 12.851 -0.748 -0.385 1.00 0.00 N ATOM 156 CA THR A 10 14.194 -1.027 0.129 1.00 0.00 C ATOM 157 C THR A 10 14.624 0.004 1.174 1.00 0.00 C ATOM 158 O THR A 10 15.481 -0.299 2.010 1.00 0.00 O ATOM 159 CB THR A 10 15.197 -1.117 -1.031 1.00 0.00 C ATOM 160 OG1 THR A 10 15.225 0.094 -1.767 1.00 0.00 O ATOM 161 CG2 THR A 10 14.902 -2.295 -1.969 1.00 0.00 C ATOM 0 H THR A 10 12.729 0.201 -0.739 1.00 0.00 H new ATOM 0 HA THR A 10 14.173 -1.992 0.635 1.00 0.00 H new ATOM 0 HB THR A 10 16.177 -1.289 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.871 0.017 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.639 -2.314 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.952 -3.228 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.905 -2.180 -2.395 1.00 0.00 H new ATOM 169 N CYS A 11 14.024 1.200 1.148 1.00 0.00 N ATOM 170 CA CYS A 11 14.294 2.305 2.052 1.00 0.00 C ATOM 171 C CYS A 11 12.966 2.964 2.427 1.00 0.00 C ATOM 172 O CYS A 11 11.948 2.748 1.767 1.00 0.00 O ATOM 173 CB CYS A 11 15.224 3.311 1.366 1.00 0.00 C ATOM 174 SG CYS A 11 16.817 2.540 0.961 1.00 0.00 S ATOM 0 H CYS A 11 13.305 1.426 0.461 1.00 0.00 H new ATOM 0 HA CYS A 11 14.785 1.946 2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.754 3.686 0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 11 15.385 4.169 2.019 1.00 0.00 H new ATOM 0 HG CYS A 11 17.586 3.412 0.379 1.00 0.00 H new ATOM 180 N ASN A 12 12.996 3.830 3.441 1.00 0.00 N ATOM 181 CA ASN A 12 11.819 4.533 3.955 1.00 0.00 C ATOM 182 C ASN A 12 11.094 5.354 2.890 1.00 0.00 C ATOM 183 O ASN A 12 9.863 5.339 2.855 1.00 0.00 O ATOM 184 CB ASN A 12 12.187 5.383 5.177 1.00 0.00 C ATOM 185 CG ASN A 12 12.679 4.490 6.302 1.00 0.00 C ATOM 186 OD1 ASN A 12 11.884 3.896 7.027 1.00 0.00 O ATOM 187 ND2 ASN A 12 13.980 4.310 6.415 1.00 0.00 N ATOM 0 H ASN A 12 13.855 4.067 3.937 1.00 0.00 H new ATOM 0 HA ASN A 12 11.108 3.769 4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.960 6.104 4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.319 5.954 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.347 3.666 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.620 4.815 5.802 1.00 0.00 H new ATOM 194 N HIS A 13 11.824 5.994 1.967 1.00 0.00 N ATOM 195 CA HIS A 13 11.199 6.792 0.913 1.00 0.00 C ATOM 196 C HIS A 13 10.241 5.959 0.056 1.00 0.00 C ATOM 197 O HIS A 13 9.225 6.480 -0.400 1.00 0.00 O ATOM 198 CB HIS A 13 12.246 7.469 0.026 1.00 0.00 C ATOM 199 CG HIS A 13 13.071 8.492 0.758 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.618 9.679 1.299 1.00 0.00 N ATOM 201 CD2 HIS A 13 14.425 8.446 0.921 1.00 0.00 C ATOM 202 CE1 HIS A 13 13.682 10.338 1.787 1.00 0.00 C ATOM 203 NE2 HIS A 13 14.800 9.615 1.589 1.00 0.00 N ATOM 0 H HIS A 13 12.843 5.973 1.932 1.00 0.00 H new ATOM 0 HA HIS A 13 10.617 7.566 1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.907 6.709 -0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.745 7.950 -0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.084 7.655 0.595 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.646 11.305 2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.745 9.872 1.874 1.00 0.00 H new ATOM 211 N CYS A 14 10.530 4.670 -0.154 1.00 0.00 N ATOM 212 CA CYS A 14 9.667 3.803 -0.945 1.00 0.00 C ATOM 213 C CYS A 14 8.294 3.665 -0.283 1.00 0.00 C ATOM 214 O CYS A 14 7.274 3.555 -0.968 1.00 0.00 O ATOM 215 CB CYS A 14 10.296 2.410 -1.064 1.00 0.00 C ATOM 216 SG CYS A 14 12.006 2.487 -1.671 1.00 0.00 S ATOM 0 H CYS A 14 11.360 4.208 0.217 1.00 0.00 H new ATOM 0 HA CYS A 14 9.551 4.247 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.278 1.920 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.698 1.799 -1.740 1.00 0.00 H new ATOM 0 HG CYS A 14 12.279 1.404 -2.337 1.00 0.00 H new ATOM 222 N VAL A 15 8.292 3.651 1.051 1.00 0.00 N ATOM 223 CA VAL A 15 7.120 3.524 1.888 1.00 0.00 C ATOM 224 C VAL A 15 6.334 4.837 1.872 1.00 0.00 C ATOM 225 O VAL A 15 5.134 4.827 1.595 1.00 0.00 O ATOM 226 CB VAL A 15 7.503 3.122 3.328 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.303 2.422 3.963 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.692 2.160 3.433 1.00 0.00 C ATOM 0 H VAL A 15 9.152 3.732 1.593 1.00 0.00 H new ATOM 0 HA VAL A 15 6.488 2.730 1.490 1.00 0.00 H new ATOM 0 HB VAL A 15 7.792 4.045 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.551 2.128 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.451 3.102 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.049 1.536 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.887 1.935 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.462 1.237 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.575 2.623 2.991 1.00 0.00 H new ATOM 238 N MET A 16 6.979 5.982 2.131 1.00 0.00 N ATOM 239 CA MET A 16 6.263 7.259 2.131 1.00 0.00 C ATOM 240 C MET A 16 5.705 7.587 0.736 1.00 0.00 C ATOM 241 O MET A 16 4.621 8.169 0.646 1.00 0.00 O ATOM 242 CB MET A 16 7.089 8.377 2.779 1.00 0.00 C ATOM 243 CG MET A 16 8.242 8.899 1.924 1.00 0.00 C ATOM 244 SD MET A 16 7.864 10.329 0.878 1.00 0.00 S ATOM 245 CE MET A 16 7.883 11.633 2.137 1.00 0.00 C ATOM 0 H MET A 16 7.975 6.049 2.339 1.00 0.00 H new ATOM 0 HA MET A 16 5.385 7.167 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.426 9.209 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.492 8.011 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.068 9.164 2.584 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.592 8.088 1.285 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.144 12.393 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.644 11.203 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.873 12.088 2.175 1.00 0.00 H new ATOM 255 N ALA A 17 6.381 7.170 -0.346 1.00 0.00 N ATOM 256 CA ALA A 17 5.921 7.404 -1.711 1.00 0.00 C ATOM 257 C ALA A 17 4.615 6.637 -1.899 1.00 0.00 C ATOM 258 O ALA A 17 3.572 7.232 -2.171 1.00 0.00 O ATOM 259 CB ALA A 17 6.962 6.944 -2.740 1.00 0.00 C ATOM 0 H ALA A 17 7.263 6.661 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 17 5.768 8.472 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.587 7.133 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.891 7.495 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.149 5.877 -2.617 1.00 0.00 H new ATOM 265 N VAL A 18 4.651 5.315 -1.713 1.00 0.00 N ATOM 266 CA VAL A 18 3.467 4.485 -1.872 1.00 0.00 C ATOM 267 C VAL A 18 2.339 4.926 -0.946 1.00 0.00 C ATOM 268 O VAL A 18 1.183 4.899 -1.348 1.00 0.00 O ATOM 269 CB VAL A 18 3.827 3.002 -1.768 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.091 2.473 -0.357 1.00 0.00 C ATOM 271 CG2 VAL A 18 2.730 2.160 -2.396 1.00 0.00 C ATOM 0 H VAL A 18 5.492 4.801 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 18 3.070 4.626 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 18 4.775 2.918 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.336 1.412 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.925 3.018 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.200 2.611 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.992 1.105 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.790 2.339 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.620 2.431 -3.446 1.00 0.00 H new ATOM 281 N THR A 19 2.655 5.391 0.261 1.00 0.00 N ATOM 282 CA THR A 19 1.656 5.871 1.210 1.00 0.00 C ATOM 283 C THR A 19 0.848 6.989 0.533 1.00 0.00 C ATOM 284 O THR A 19 -0.376 7.028 0.647 1.00 0.00 O ATOM 285 CB THR A 19 2.360 6.348 2.490 1.00 0.00 C ATOM 286 OG1 THR A 19 3.000 5.262 3.126 1.00 0.00 O ATOM 287 CG2 THR A 19 1.414 6.945 3.526 1.00 0.00 C ATOM 0 H THR A 19 3.613 5.445 0.608 1.00 0.00 H new ATOM 0 HA THR A 19 0.966 5.078 1.499 1.00 0.00 H new ATOM 0 HB THR A 19 3.058 7.116 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.637 4.849 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.984 7.259 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.903 7.807 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.679 6.197 3.821 1.00 0.00 H new ATOM 295 N LYS A 20 1.508 7.910 -0.182 1.00 0.00 N ATOM 296 CA LYS A 20 0.805 8.987 -0.865 1.00 0.00 C ATOM 297 C LYS A 20 -0.055 8.452 -1.999 1.00 0.00 C ATOM 298 O LYS A 20 -1.200 8.881 -2.124 1.00 0.00 O ATOM 299 CB LYS A 20 1.780 10.032 -1.417 1.00 0.00 C ATOM 300 CG LYS A 20 2.498 10.830 -0.323 1.00 0.00 C ATOM 301 CD LYS A 20 3.282 12.009 -0.908 1.00 0.00 C ATOM 302 CE LYS A 20 2.385 13.080 -1.544 1.00 0.00 C ATOM 303 NZ LYS A 20 1.496 13.742 -0.564 1.00 0.00 N ATOM 0 H LYS A 20 2.521 7.925 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 20 0.162 9.463 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.523 9.533 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.235 10.722 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.768 11.199 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.178 10.174 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.879 12.467 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.979 11.636 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.011 13.832 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.779 12.622 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.988 14.522 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.810 13.052 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.064 14.117 0.222 1.00 0.00 H new ATOM 317 N ALA A 21 0.479 7.540 -2.806 1.00 0.00 N ATOM 318 CA ALA A 21 -0.241 6.958 -3.926 1.00 0.00 C ATOM 319 C ALA A 21 -1.486 6.216 -3.441 1.00 0.00 C ATOM 320 O ALA A 21 -2.565 6.331 -4.016 1.00 0.00 O ATOM 321 CB ALA A 21 0.685 6.012 -4.682 1.00 0.00 C ATOM 0 H ALA A 21 1.429 7.184 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.567 7.755 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.149 5.573 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.548 6.566 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.021 5.220 -4.013 1.00 0.00 H new ATOM 327 N LEU A 22 -1.356 5.475 -2.343 1.00 0.00 N ATOM 328 CA LEU A 22 -2.422 4.687 -1.751 1.00 0.00 C ATOM 329 C LEU A 22 -3.568 5.589 -1.309 1.00 0.00 C ATOM 330 O LEU A 22 -4.731 5.193 -1.347 1.00 0.00 O ATOM 331 CB LEU A 22 -1.840 3.914 -0.558 1.00 0.00 C ATOM 332 CG LEU A 22 -1.335 2.518 -0.942 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.540 1.958 0.238 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.474 1.543 -1.270 1.00 0.00 C ATOM 0 H LEU A 22 -0.478 5.408 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.823 3.986 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.019 4.486 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.603 3.819 0.215 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.723 2.619 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.170 0.964 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.302 2.615 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.185 1.895 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.056 0.572 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.122 1.435 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.054 1.929 -2.108 1.00 0.00 H new ATOM 346 N LYS A 23 -3.257 6.813 -0.882 1.00 0.00 N ATOM 347 CA LYS A 23 -4.246 7.786 -0.436 1.00 0.00 C ATOM 348 C LYS A 23 -4.939 8.497 -1.599 1.00 0.00 C ATOM 349 O LYS A 23 -5.831 9.302 -1.338 1.00 0.00 O ATOM 350 CB LYS A 23 -3.586 8.763 0.551 1.00 0.00 C ATOM 351 CG LYS A 23 -3.260 8.031 1.863 1.00 0.00 C ATOM 352 CD LYS A 23 -2.564 8.930 2.896 1.00 0.00 C ATOM 353 CE LYS A 23 -3.398 9.026 4.181 1.00 0.00 C ATOM 354 NZ LYS A 23 -4.663 9.759 3.971 1.00 0.00 N ATOM 0 H LYS A 23 -2.298 7.158 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.046 7.257 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.675 9.174 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.253 9.603 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.182 7.640 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.621 7.175 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.576 8.530 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.415 9.926 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.618 8.023 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.815 9.525 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.445 9.235 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.593 10.703 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.843 9.856 2.951 1.00 0.00 H new ATOM 368 N LYS A 24 -4.551 8.274 -2.860 1.00 0.00 N ATOM 369 CA LYS A 24 -5.231 8.929 -3.983 1.00 0.00 C ATOM 370 C LYS A 24 -6.526 8.189 -4.318 1.00 0.00 C ATOM 371 O LYS A 24 -7.435 8.789 -4.894 1.00 0.00 O ATOM 372 CB LYS A 24 -4.349 8.966 -5.241 1.00 0.00 C ATOM 373 CG LYS A 24 -2.939 9.541 -5.066 1.00 0.00 C ATOM 374 CD LYS A 24 -2.878 10.886 -4.333 1.00 0.00 C ATOM 375 CE LYS A 24 -1.455 11.464 -4.333 1.00 0.00 C ATOM 376 NZ LYS A 24 -0.991 11.809 -5.693 1.00 0.00 N ATOM 0 H LYS A 24 -3.784 7.657 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.446 9.952 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.259 7.950 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.865 9.550 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.333 8.818 -4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.486 9.659 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.558 11.592 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.219 10.757 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.427 12.354 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.771 10.740 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.151 12.418 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.749 10.939 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.746 12.313 -6.200 1.00 0.00 H new ATOM 390 N VAL A 25 -6.608 6.910 -3.952 1.00 0.00 N ATOM 391 CA VAL A 25 -7.739 6.038 -4.192 1.00 0.00 C ATOM 392 C VAL A 25 -9.027 6.610 -3.590 1.00 0.00 C ATOM 393 O VAL A 25 -9.058 6.910 -2.390 1.00 0.00 O ATOM 394 CB VAL A 25 -7.415 4.637 -3.643 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.590 3.662 -3.787 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.192 4.005 -4.314 1.00 0.00 C ATOM 0 H VAL A 25 -5.849 6.440 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.916 5.962 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.203 4.801 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.307 2.689 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.450 4.046 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.849 3.557 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.012 3.019 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.373 3.909 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.319 4.637 -4.149 1.00 0.00 H new ATOM 406 N PRO A 26 -10.099 6.752 -4.391 1.00 0.00 N ATOM 407 CA PRO A 26 -11.370 7.257 -3.915 1.00 0.00 C ATOM 408 C PRO A 26 -11.953 6.174 -3.007 1.00 0.00 C ATOM 409 O PRO A 26 -12.304 5.077 -3.452 1.00 0.00 O ATOM 410 CB PRO A 26 -12.210 7.546 -5.160 1.00 0.00 C ATOM 411 CG PRO A 26 -11.654 6.577 -6.201 1.00 0.00 C ATOM 412 CD PRO A 26 -10.186 6.433 -5.811 1.00 0.00 C ATOM 0 HA PRO A 26 -11.314 8.177 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.271 7.373 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.107 8.582 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.172 5.618 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.763 6.969 -7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.832 5.420 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.561 7.106 -6.398 1.00 0.00 H new ATOM 420 N GLY A 27 -11.990 6.483 -1.719 1.00 0.00 N ATOM 421 CA GLY A 27 -12.485 5.639 -0.646 1.00 0.00 C ATOM 422 C GLY A 27 -11.454 5.461 0.466 1.00 0.00 C ATOM 423 O GLY A 27 -11.752 4.772 1.441 1.00 0.00 O ATOM 0 H GLY A 27 -11.655 7.384 -1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.393 6.076 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.756 4.663 -1.048 1.00 0.00 H new ATOM 427 N VAL A 28 -10.249 6.034 0.353 1.00 0.00 N ATOM 428 CA VAL A 28 -9.209 5.908 1.367 1.00 0.00 C ATOM 429 C VAL A 28 -9.149 7.150 2.238 1.00 0.00 C ATOM 430 O VAL A 28 -9.114 8.271 1.736 1.00 0.00 O ATOM 431 CB VAL A 28 -7.843 5.677 0.701 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.714 5.606 1.740 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.883 4.358 -0.065 1.00 0.00 C ATOM 0 H VAL A 28 -9.973 6.599 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.453 5.052 1.997 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.645 6.514 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.763 5.442 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.672 6.542 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.905 4.783 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.918 4.185 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.098 3.543 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.661 4.403 -0.827 1.00 0.00 H new ATOM 443 N GLU A 29 -8.982 6.914 3.539 1.00 0.00 N ATOM 444 CA GLU A 29 -8.874 7.924 4.573 1.00 0.00 C ATOM 445 C GLU A 29 -7.565 7.756 5.344 1.00 0.00 C ATOM 446 O GLU A 29 -6.780 8.702 5.457 1.00 0.00 O ATOM 447 CB GLU A 29 -10.083 7.784 5.489 1.00 0.00 C ATOM 448 CG GLU A 29 -11.360 8.191 4.757 1.00 0.00 C ATOM 449 CD GLU A 29 -11.360 9.665 4.335 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.176 10.546 5.198 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.577 9.959 3.135 1.00 0.00 O ATOM 0 H GLU A 29 -8.916 5.966 3.911 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.861 8.923 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.168 6.754 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.950 8.407 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.482 7.565 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.218 8.003 5.402 1.00 0.00 H new ATOM 458 N LYS A 30 -7.292 6.549 5.849 1.00 0.00 N ATOM 459 CA LYS A 30 -6.085 6.227 6.599 1.00 0.00 C ATOM 460 C LYS A 30 -5.459 5.009 5.972 1.00 0.00 C ATOM 461 O LYS A 30 -6.169 4.180 5.385 1.00 0.00 O ATOM 462 CB LYS A 30 -6.426 5.936 8.069 1.00 0.00 C ATOM 463 CG LYS A 30 -6.443 7.233 8.866 1.00 0.00 C ATOM 464 CD LYS A 30 -7.091 7.055 10.252 1.00 0.00 C ATOM 465 CE LYS A 30 -6.114 6.484 11.288 1.00 0.00 C ATOM 466 NZ LYS A 30 -5.375 7.554 11.992 1.00 0.00 N ATOM 0 H LYS A 30 -7.922 5.754 5.742 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.396 7.071 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.397 5.446 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.693 5.249 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.423 7.596 8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.988 7.994 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.464 8.018 10.601 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.952 6.392 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.663 5.883 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.407 5.819 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.725 7.130 12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.831 8.112 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.048 8.174 12.485 1.00 0.00 H new ATOM 480 N VAL A 31 -4.135 4.956 6.065 1.00 0.00 N ATOM 481 CA VAL A 31 -3.343 3.875 5.547 1.00 0.00 C ATOM 482 C VAL A 31 -2.279 3.533 6.580 1.00 0.00 C ATOM 483 O VAL A 31 -2.026 4.323 7.495 1.00 0.00 O ATOM 484 CB VAL A 31 -2.771 4.209 4.154 1.00 0.00 C ATOM 485 CG1 VAL A 31 -3.854 4.584 3.142 1.00 0.00 C ATOM 486 CG2 VAL A 31 -1.763 5.359 4.162 1.00 0.00 C ATOM 0 H VAL A 31 -3.582 5.685 6.515 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.959 2.991 5.385 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.273 3.284 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.392 4.809 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.547 3.751 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.396 5.460 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.405 5.536 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.244 6.261 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.921 5.100 4.804 1.00 0.00 H new ATOM 496 N GLU A 32 -1.633 2.383 6.425 1.00 0.00 N ATOM 497 CA GLU A 32 -0.612 1.913 7.339 1.00 0.00 C ATOM 498 C GLU A 32 0.375 0.991 6.619 1.00 0.00 C ATOM 499 O GLU A 32 0.096 -0.197 6.450 1.00 0.00 O ATOM 500 CB GLU A 32 -1.350 1.175 8.470 1.00 0.00 C ATOM 501 CG GLU A 32 -0.494 1.036 9.715 1.00 0.00 C ATOM 502 CD GLU A 32 -0.201 2.398 10.333 1.00 0.00 C ATOM 503 OE1 GLU A 32 -1.160 3.100 10.717 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.987 2.790 10.424 1.00 0.00 O ATOM 0 H GLU A 32 -1.810 1.746 5.648 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.024 2.739 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.264 1.714 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.647 0.186 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.004 0.405 10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.442 0.538 9.463 1.00 0.00 H new ATOM 511 N VAL A 33 1.527 1.494 6.177 1.00 0.00 N ATOM 512 CA VAL A 33 2.534 0.695 5.471 1.00 0.00 C ATOM 513 C VAL A 33 3.780 0.565 6.363 1.00 0.00 C ATOM 514 O VAL A 33 3.976 1.396 7.259 1.00 0.00 O ATOM 515 CB VAL A 33 2.816 1.309 4.075 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.544 0.311 3.159 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.536 1.757 3.342 1.00 0.00 C ATOM 0 H VAL A 33 1.791 2.472 6.298 1.00 0.00 H new ATOM 0 HA VAL A 33 2.173 -0.316 5.281 1.00 0.00 H new ATOM 0 HB VAL A 33 3.439 2.181 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.726 0.774 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.495 0.029 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.928 -0.578 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.801 2.178 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.880 0.899 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.021 2.512 3.937 1.00 0.00 H new ATOM 527 N SER A 34 4.601 -0.472 6.159 1.00 0.00 N ATOM 528 CA SER A 34 5.826 -0.699 6.915 1.00 0.00 C ATOM 529 C SER A 34 6.901 -1.304 6.013 1.00 0.00 C ATOM 530 O SER A 34 6.611 -2.233 5.257 1.00 0.00 O ATOM 531 CB SER A 34 5.599 -1.628 8.117 1.00 0.00 C ATOM 532 OG SER A 34 6.701 -1.438 8.985 1.00 0.00 O ATOM 0 H SER A 34 4.425 -1.185 5.451 1.00 0.00 H new ATOM 0 HA SER A 34 6.153 0.271 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.662 -1.389 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.532 -2.668 7.797 1.00 0.00 H new ATOM 0 HG SER A 34 6.600 -2.012 9.773 1.00 0.00 H new ATOM 538 N LEU A 35 8.138 -0.797 6.111 1.00 0.00 N ATOM 539 CA LEU A 35 9.276 -1.285 5.332 1.00 0.00 C ATOM 540 C LEU A 35 9.621 -2.710 5.756 1.00 0.00 C ATOM 541 O LEU A 35 9.718 -3.604 4.919 1.00 0.00 O ATOM 542 CB LEU A 35 10.504 -0.376 5.545 1.00 0.00 C ATOM 543 CG LEU A 35 11.759 -0.785 4.746 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.509 -0.850 3.234 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.858 0.253 5.002 1.00 0.00 C ATOM 0 H LEU A 35 8.375 -0.030 6.740 1.00 0.00 H new ATOM 0 HA LEU A 35 9.004 -1.273 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.234 0.645 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.753 -0.368 6.606 1.00 0.00 H new ATOM 0 HG LEU A 35 12.047 -1.782 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.428 -1.143 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.729 -1.583 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.192 0.129 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.754 -0.020 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.514 1.235 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.089 0.284 6.067 1.00 0.00 H new ATOM 557 N GLU A 36 9.793 -2.888 7.068 1.00 0.00 N ATOM 558 CA GLU A 36 10.148 -4.124 7.746 1.00 0.00 C ATOM 559 C GLU A 36 9.198 -5.269 7.394 1.00 0.00 C ATOM 560 O GLU A 36 9.605 -6.259 6.786 1.00 0.00 O ATOM 561 CB GLU A 36 10.166 -3.827 9.256 1.00 0.00 C ATOM 562 CG GLU A 36 10.629 -5.013 10.107 1.00 0.00 C ATOM 563 CD GLU A 36 12.076 -5.410 9.787 1.00 0.00 C ATOM 564 OE1 GLU A 36 12.994 -4.585 9.994 1.00 0.00 O ATOM 565 OE2 GLU A 36 12.307 -6.536 9.287 1.00 0.00 O ATOM 0 H GLU A 36 9.679 -2.116 7.724 1.00 0.00 H new ATOM 0 HA GLU A 36 11.131 -4.463 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.823 -2.977 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.165 -3.532 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.547 -4.757 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.971 -5.864 9.933 1.00 0.00 H new ATOM 572 N LYS A 37 7.929 -5.141 7.786 1.00 0.00 N ATOM 573 CA LYS A 37 6.909 -6.154 7.530 1.00 0.00 C ATOM 574 C LYS A 37 6.539 -6.260 6.046 1.00 0.00 C ATOM 575 O LYS A 37 5.945 -7.267 5.666 1.00 0.00 O ATOM 576 CB LYS A 37 5.660 -5.827 8.365 1.00 0.00 C ATOM 577 CG LYS A 37 5.752 -6.286 9.829 1.00 0.00 C ATOM 578 CD LYS A 37 4.438 -6.006 10.582 1.00 0.00 C ATOM 579 CE LYS A 37 4.229 -4.522 10.909 1.00 0.00 C ATOM 580 NZ LYS A 37 2.856 -4.231 11.368 1.00 0.00 N ATOM 0 H LYS A 37 7.580 -4.327 8.292 1.00 0.00 H new ATOM 0 HA LYS A 37 7.319 -7.122 7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.491 -4.750 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.792 -6.296 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.976 -7.352 9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.575 -5.771 10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.601 -6.360 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.429 -6.580 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.938 -4.220 11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.447 -3.924 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.767 -3.216 11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.178 -4.493 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.654 -4.779 12.228 1.00 0.00 H new ATOM 594 N GLY A 38 6.854 -5.254 5.219 1.00 0.00 N ATOM 595 CA GLY A 38 6.529 -5.258 3.795 1.00 0.00 C ATOM 596 C GLY A 38 5.022 -5.387 3.575 1.00 0.00 C ATOM 597 O GLY A 38 4.584 -5.986 2.594 1.00 0.00 O ATOM 0 H GLY A 38 7.344 -4.413 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.890 -4.338 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.043 -6.084 3.304 1.00 0.00 H new ATOM 601 N GLU A 39 4.218 -4.851 4.495 1.00 0.00 N ATOM 602 CA GLU A 39 2.765 -4.916 4.441 1.00 0.00 C ATOM 603 C GLU A 39 2.177 -3.517 4.447 1.00 0.00 C ATOM 604 O GLU A 39 2.793 -2.573 4.957 1.00 0.00 O ATOM 605 CB GLU A 39 2.235 -5.697 5.649 1.00 0.00 C ATOM 606 CG GLU A 39 2.329 -7.216 5.469 1.00 0.00 C ATOM 607 CD GLU A 39 1.881 -7.985 6.717 1.00 0.00 C ATOM 608 OE1 GLU A 39 1.323 -7.363 7.656 1.00 0.00 O ATOM 609 OE2 GLU A 39 2.097 -9.221 6.732 1.00 0.00 O ATOM 0 H GLU A 39 4.570 -4.351 5.312 1.00 0.00 H new ATOM 0 HA GLU A 39 2.471 -5.423 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.796 -5.407 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.195 -5.421 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.714 -7.517 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.357 -7.487 5.229 1.00 0.00 H new ATOM 616 N ALA A 40 0.954 -3.411 3.934 1.00 0.00 N ATOM 617 CA ALA A 40 0.174 -2.198 3.815 1.00 0.00 C ATOM 618 C ALA A 40 -1.279 -2.484 4.185 1.00 0.00 C ATOM 619 O ALA A 40 -1.871 -3.443 3.693 1.00 0.00 O ATOM 620 CB ALA A 40 0.244 -1.728 2.367 1.00 0.00 C ATOM 0 H ALA A 40 0.457 -4.224 3.570 1.00 0.00 H new ATOM 0 HA ALA A 40 0.566 -1.432 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.338 -0.813 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.282 -1.534 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.162 -2.500 1.714 1.00 0.00 H new ATOM 626 N LEU A 41 -1.871 -1.668 5.049 1.00 0.00 N ATOM 627 CA LEU A 41 -3.255 -1.807 5.479 1.00 0.00 C ATOM 628 C LEU A 41 -3.967 -0.494 5.212 1.00 0.00 C ATOM 629 O LEU A 41 -3.318 0.552 5.129 1.00 0.00 O ATOM 630 CB LEU A 41 -3.381 -2.232 6.948 1.00 0.00 C ATOM 631 CG LEU A 41 -2.851 -3.650 7.225 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.382 -3.654 7.674 1.00 0.00 C ATOM 633 CD2 LEU A 41 -3.697 -4.300 8.315 1.00 0.00 C ATOM 0 H LEU A 41 -1.392 -0.876 5.478 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.723 -2.609 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.838 -1.522 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.429 -2.180 7.244 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.916 -4.207 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.060 -4.679 7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.762 -3.212 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.280 -3.074 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.325 -5.305 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.638 -3.704 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.734 -4.356 7.985 1.00 0.00 H new ATOM 645 N VAL A 42 -5.290 -0.545 5.108 1.00 0.00 N ATOM 646 CA VAL A 42 -6.139 0.603 4.835 1.00 0.00 C ATOM 647 C VAL A 42 -7.356 0.544 5.749 1.00 0.00 C ATOM 648 O VAL A 42 -7.901 -0.535 5.979 1.00 0.00 O ATOM 649 CB VAL A 42 -6.531 0.548 3.344 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.516 1.657 2.941 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.269 0.640 2.478 1.00 0.00 C ATOM 0 H VAL A 42 -5.815 -1.413 5.215 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.627 1.546 5.030 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.039 -0.403 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.753 1.565 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.430 1.562 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.064 2.631 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.547 0.601 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.755 1.579 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.607 -0.194 2.710 1.00 0.00 H new ATOM 661 N GLU A 43 -7.804 1.709 6.220 1.00 0.00 N ATOM 662 CA GLU A 43 -8.966 1.835 7.094 1.00 0.00 C ATOM 663 C GLU A 43 -10.187 2.363 6.331 1.00 0.00 C ATOM 664 O GLU A 43 -11.309 2.244 6.819 1.00 0.00 O ATOM 665 CB GLU A 43 -8.602 2.767 8.252 1.00 0.00 C ATOM 666 CG GLU A 43 -9.523 2.659 9.476 1.00 0.00 C ATOM 667 CD GLU A 43 -10.727 3.607 9.445 1.00 0.00 C ATOM 668 OE1 GLU A 43 -10.535 4.832 9.262 1.00 0.00 O ATOM 669 OE2 GLU A 43 -11.878 3.159 9.659 1.00 0.00 O ATOM 0 H GLU A 43 -7.362 2.602 6.001 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.236 0.852 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.579 2.555 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.618 3.796 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.885 1.634 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.939 2.861 10.374 1.00 0.00 H new ATOM 676 N GLY A 44 -9.997 2.964 5.153 1.00 0.00 N ATOM 677 CA GLY A 44 -11.098 3.486 4.352 1.00 0.00 C ATOM 678 C GLY A 44 -11.943 2.346 3.761 1.00 0.00 C ATOM 679 O GLY A 44 -11.693 1.165 4.019 1.00 0.00 O ATOM 0 H GLY A 44 -9.078 3.100 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.728 4.127 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.704 4.106 3.547 1.00 0.00 H new ATOM 683 N THR A 45 -12.959 2.679 2.969 1.00 0.00 N ATOM 684 CA THR A 45 -13.871 1.724 2.350 1.00 0.00 C ATOM 685 C THR A 45 -13.374 1.276 0.971 1.00 0.00 C ATOM 686 O THR A 45 -14.018 0.465 0.308 1.00 0.00 O ATOM 687 CB THR A 45 -15.274 2.373 2.347 1.00 0.00 C ATOM 688 OG1 THR A 45 -16.310 1.416 2.308 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.481 3.394 1.221 1.00 0.00 C ATOM 0 H THR A 45 -13.176 3.648 2.734 1.00 0.00 H new ATOM 0 HA THR A 45 -13.921 0.794 2.917 1.00 0.00 H new ATOM 0 HB THR A 45 -15.322 2.912 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.177 1.872 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.488 3.806 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.753 4.199 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.350 2.904 0.256 1.00 0.00 H new ATOM 697 N ALA A 46 -12.197 1.760 0.565 1.00 0.00 N ATOM 698 CA ALA A 46 -11.601 1.458 -0.724 1.00 0.00 C ATOM 699 C ALA A 46 -11.499 -0.045 -1.020 1.00 0.00 C ATOM 700 O ALA A 46 -11.324 -0.846 -0.096 1.00 0.00 O ATOM 701 CB ALA A 46 -10.230 2.109 -0.825 1.00 0.00 C ATOM 0 H ALA A 46 -11.628 2.383 1.138 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.270 1.870 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.788 1.878 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.332 3.189 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.586 1.726 -0.033 1.00 0.00 H new ATOM 707 N ASP A 47 -11.568 -0.405 -2.305 1.00 0.00 N ATOM 708 CA ASP A 47 -11.509 -1.787 -2.788 1.00 0.00 C ATOM 709 C ASP A 47 -10.068 -2.279 -2.887 1.00 0.00 C ATOM 710 O ASP A 47 -9.191 -1.496 -3.255 1.00 0.00 O ATOM 711 CB ASP A 47 -12.191 -1.911 -4.156 1.00 0.00 C ATOM 712 CG ASP A 47 -13.704 -1.793 -4.012 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.310 -2.722 -3.430 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.281 -0.781 -4.462 1.00 0.00 O ATOM 0 H ASP A 47 -11.669 0.276 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.038 -2.409 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.822 -1.133 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.937 -2.869 -4.610 1.00 0.00 H new ATOM 719 N PRO A 48 -9.789 -3.580 -2.677 1.00 0.00 N ATOM 720 CA PRO A 48 -8.424 -4.097 -2.719 1.00 0.00 C ATOM 721 C PRO A 48 -7.755 -3.912 -4.071 1.00 0.00 C ATOM 722 O PRO A 48 -6.593 -3.519 -4.134 1.00 0.00 O ATOM 723 CB PRO A 48 -8.498 -5.565 -2.297 1.00 0.00 C ATOM 724 CG PRO A 48 -9.967 -5.942 -2.469 1.00 0.00 C ATOM 725 CD PRO A 48 -10.716 -4.626 -2.279 1.00 0.00 C ATOM 0 HA PRO A 48 -7.790 -3.532 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.854 -6.189 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.173 -5.698 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.156 -6.369 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.276 -6.686 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.620 -4.599 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.026 -4.499 -1.242 1.00 0.00 H new ATOM 733 N LYS A 49 -8.504 -4.143 -5.149 1.00 0.00 N ATOM 734 CA LYS A 49 -8.006 -3.994 -6.506 1.00 0.00 C ATOM 735 C LYS A 49 -7.507 -2.567 -6.749 1.00 0.00 C ATOM 736 O LYS A 49 -6.467 -2.391 -7.376 1.00 0.00 O ATOM 737 CB LYS A 49 -9.067 -4.470 -7.507 1.00 0.00 C ATOM 738 CG LYS A 49 -10.383 -3.680 -7.437 1.00 0.00 C ATOM 739 CD LYS A 49 -11.542 -4.436 -8.091 1.00 0.00 C ATOM 740 CE LYS A 49 -12.030 -5.554 -7.158 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.298 -6.137 -7.622 1.00 0.00 N ATOM 0 H LYS A 49 -9.478 -4.440 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.135 -4.632 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.661 -4.394 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.277 -5.524 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.627 -3.474 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.254 -2.717 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.360 -3.749 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.221 -4.859 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.271 -6.334 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.159 -5.157 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.595 -6.888 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.028 -5.397 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.168 -6.538 -8.573 1.00 0.00 H new ATOM 755 N ALA A 50 -8.209 -1.541 -6.255 1.00 0.00 N ATOM 756 CA ALA A 50 -7.774 -0.161 -6.446 1.00 0.00 C ATOM 757 C ALA A 50 -6.539 0.140 -5.591 1.00 0.00 C ATOM 758 O ALA A 50 -5.705 0.963 -5.979 1.00 0.00 O ATOM 759 CB ALA A 50 -8.908 0.804 -6.089 1.00 0.00 C ATOM 0 H ALA A 50 -9.074 -1.643 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.510 -0.026 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.572 1.830 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.767 0.609 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.193 0.661 -5.047 1.00 0.00 H new ATOM 765 N LEU A 51 -6.444 -0.499 -4.420 1.00 0.00 N ATOM 766 CA LEU A 51 -5.344 -0.339 -3.481 1.00 0.00 C ATOM 767 C LEU A 51 -4.064 -0.910 -4.076 1.00 0.00 C ATOM 768 O LEU A 51 -3.084 -0.176 -4.173 1.00 0.00 O ATOM 769 CB LEU A 51 -5.678 -0.983 -2.124 1.00 0.00 C ATOM 770 CG LEU A 51 -6.822 -0.282 -1.371 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.176 -1.072 -0.107 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.439 1.152 -1.035 1.00 0.00 C ATOM 0 H LEU A 51 -7.152 -1.158 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.188 0.724 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.946 -2.027 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.785 -0.975 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.703 -0.249 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.987 -0.570 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.491 -2.078 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.302 -1.131 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.260 1.633 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.549 1.153 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.234 1.699 -1.955 1.00 0.00 H new ATOM 784 N VAL A 52 -4.052 -2.184 -4.479 1.00 0.00 N ATOM 785 CA VAL A 52 -2.888 -2.823 -5.076 1.00 0.00 C ATOM 786 C VAL A 52 -2.455 -2.037 -6.318 1.00 0.00 C ATOM 787 O VAL A 52 -1.267 -1.739 -6.460 1.00 0.00 O ATOM 788 CB VAL A 52 -3.195 -4.316 -5.349 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.211 -4.594 -6.449 1.00 0.00 C ATOM 790 CG2 VAL A 52 -1.941 -5.103 -5.702 1.00 0.00 C ATOM 0 H VAL A 52 -4.860 -2.801 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.040 -2.808 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.627 -4.638 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.348 -5.670 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.163 -4.130 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.850 -4.181 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.205 -6.145 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.487 -4.681 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.232 -5.048 -4.876 1.00 0.00 H new ATOM 800 N GLN A 53 -3.413 -1.608 -7.153 1.00 0.00 N ATOM 801 CA GLN A 53 -3.111 -0.860 -8.360 1.00 0.00 C ATOM 802 C GLN A 53 -2.339 0.413 -8.026 1.00 0.00 C ATOM 803 O GLN A 53 -1.373 0.711 -8.712 1.00 0.00 O ATOM 804 CB GLN A 53 -4.387 -0.539 -9.152 1.00 0.00 C ATOM 805 CG GLN A 53 -4.113 -0.335 -10.647 1.00 0.00 C ATOM 806 CD GLN A 53 -3.741 -1.653 -11.328 1.00 0.00 C ATOM 807 OE1 GLN A 53 -4.527 -2.600 -11.327 1.00 0.00 O ATOM 808 NE2 GLN A 53 -2.562 -1.760 -11.912 1.00 0.00 N ATOM 0 H GLN A 53 -4.408 -1.773 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.480 -1.485 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.104 -1.350 -9.024 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.848 0.361 -8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.996 0.088 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.304 0.385 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.917 -0.970 -11.908 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.296 -2.633 -12.368 1.00 0.00 H new ATOM 817 N ALA A 54 -2.702 1.142 -6.962 1.00 0.00 N ATOM 818 CA ALA A 54 -2.004 2.370 -6.584 1.00 0.00 C ATOM 819 C ALA A 54 -0.515 2.133 -6.280 1.00 0.00 C ATOM 820 O ALA A 54 0.268 3.078 -6.295 1.00 0.00 O ATOM 821 CB ALA A 54 -2.690 3.011 -5.376 1.00 0.00 C ATOM 0 H ALA A 54 -3.479 0.898 -6.348 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.054 3.044 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.164 3.925 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.723 3.249 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.673 2.316 -4.537 1.00 0.00 H new ATOM 827 N VAL A 55 -0.108 0.894 -6.007 1.00 0.00 N ATOM 828 CA VAL A 55 1.269 0.516 -5.717 1.00 0.00 C ATOM 829 C VAL A 55 1.933 0.058 -7.018 1.00 0.00 C ATOM 830 O VAL A 55 3.121 0.314 -7.232 1.00 0.00 O ATOM 831 CB VAL A 55 1.275 -0.548 -4.598 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.696 -0.832 -4.087 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.379 -0.096 -3.432 1.00 0.00 C ATOM 0 H VAL A 55 -0.751 0.102 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 55 1.854 1.356 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 55 0.883 -1.473 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.656 -1.586 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.312 -1.197 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.129 0.085 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.391 -0.854 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.752 0.846 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.642 0.041 -3.789 1.00 0.00 H new ATOM 843 N GLU A 56 1.184 -0.631 -7.887 1.00 0.00 N ATOM 844 CA GLU A 56 1.690 -1.092 -9.175 1.00 0.00 C ATOM 845 C GLU A 56 1.942 0.168 -10.037 1.00 0.00 C ATOM 846 O GLU A 56 2.901 0.226 -10.806 1.00 0.00 O ATOM 847 CB GLU A 56 0.716 -2.130 -9.775 1.00 0.00 C ATOM 848 CG GLU A 56 0.609 -3.443 -8.978 1.00 0.00 C ATOM 849 CD GLU A 56 -0.436 -4.447 -9.495 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.649 -4.129 -9.520 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.051 -5.601 -9.795 1.00 0.00 O ATOM 0 H GLU A 56 0.211 -0.882 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 56 2.638 -1.625 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.275 -1.681 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.034 -2.362 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.585 -3.928 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.373 -3.201 -7.942 1.00 0.00 H new ATOM 858 N GLU A 57 1.158 1.234 -9.840 1.00 0.00 N ATOM 859 CA GLU A 57 1.267 2.522 -10.523 1.00 0.00 C ATOM 860 C GLU A 57 2.512 3.290 -10.037 1.00 0.00 C ATOM 861 O GLU A 57 2.943 4.237 -10.697 1.00 0.00 O ATOM 862 CB GLU A 57 -0.001 3.356 -10.261 1.00 0.00 C ATOM 863 CG GLU A 57 -1.254 2.790 -10.949 1.00 0.00 C ATOM 864 CD GLU A 57 -1.387 3.195 -12.410 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.561 2.733 -13.229 1.00 0.00 O ATOM 866 OE2 GLU A 57 -2.362 3.906 -12.746 1.00 0.00 O ATOM 0 H GLU A 57 0.393 1.218 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 57 1.368 2.344 -11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.177 3.409 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.166 4.376 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.233 1.702 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.138 3.125 -10.407 1.00 0.00 H new ATOM 873 N GLU A 58 3.082 2.916 -8.886 1.00 0.00 N ATOM 874 CA GLU A 58 4.281 3.513 -8.295 1.00 0.00 C ATOM 875 C GLU A 58 5.535 2.718 -8.713 1.00 0.00 C ATOM 876 O GLU A 58 6.651 3.109 -8.352 1.00 0.00 O ATOM 877 CB GLU A 58 4.168 3.539 -6.760 1.00 0.00 C ATOM 878 CG GLU A 58 3.389 4.710 -6.163 1.00 0.00 C ATOM 879 CD GLU A 58 4.070 6.062 -6.368 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.275 6.177 -6.045 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.362 7.019 -6.761 1.00 0.00 O ATOM 0 H GLU A 58 2.703 2.158 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 58 4.371 4.536 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.696 2.612 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.175 3.548 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.395 4.741 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.253 4.539 -5.095 1.00 0.00 H new ATOM 888 N GLY A 59 5.373 1.606 -9.444 1.00 0.00 N ATOM 889 CA GLY A 59 6.453 0.753 -9.927 1.00 0.00 C ATOM 890 C GLY A 59 6.838 -0.385 -8.985 1.00 0.00 C ATOM 891 O GLY A 59 7.890 -1.000 -9.187 1.00 0.00 O ATOM 0 H GLY A 59 4.451 1.269 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.160 0.328 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.333 1.371 -10.107 1.00 0.00 H new ATOM 895 N TYR A 60 6.066 -0.656 -7.934 1.00 0.00 N ATOM 896 CA TYR A 60 6.351 -1.733 -6.981 1.00 0.00 C ATOM 897 C TYR A 60 5.498 -2.948 -7.355 1.00 0.00 C ATOM 898 O TYR A 60 4.799 -2.915 -8.375 1.00 0.00 O ATOM 899 CB TYR A 60 6.093 -1.231 -5.555 1.00 0.00 C ATOM 900 CG TYR A 60 6.945 -0.040 -5.152 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.287 -0.217 -4.769 1.00 0.00 C ATOM 902 CD2 TYR A 60 6.391 1.251 -5.158 1.00 0.00 C ATOM 903 CE1 TYR A 60 9.080 0.890 -4.411 1.00 0.00 C ATOM 904 CE2 TYR A 60 7.171 2.364 -4.796 1.00 0.00 C ATOM 905 CZ TYR A 60 8.524 2.189 -4.438 1.00 0.00 C ATOM 906 OH TYR A 60 9.300 3.273 -4.176 1.00 0.00 O ATOM 0 H TYR A 60 5.218 -0.132 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 60 7.397 -2.038 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.041 -0.960 -5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.275 -2.047 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.712 -1.210 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.358 1.390 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.109 0.747 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.734 3.352 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 60 8.757 4.087 -4.239 1.00 0.00 H new ATOM 916 N LYS A 61 5.550 -4.029 -6.576 1.00 0.00 N ATOM 917 CA LYS A 61 4.763 -5.238 -6.816 1.00 0.00 C ATOM 918 C LYS A 61 3.943 -5.459 -5.566 1.00 0.00 C ATOM 919 O LYS A 61 4.543 -5.639 -4.505 1.00 0.00 O ATOM 920 CB LYS A 61 5.665 -6.450 -7.068 1.00 0.00 C ATOM 921 CG LYS A 61 6.398 -6.298 -8.393 1.00 0.00 C ATOM 922 CD LYS A 61 7.333 -7.482 -8.637 1.00 0.00 C ATOM 923 CE LYS A 61 8.024 -7.384 -9.997 1.00 0.00 C ATOM 924 NZ LYS A 61 8.655 -6.067 -10.229 1.00 0.00 N ATOM 0 H LYS A 61 6.147 -4.090 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 61 4.138 -5.119 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.385 -6.551 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.067 -7.361 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.676 -6.226 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.971 -5.371 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.085 -7.521 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.766 -8.411 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.783 -8.163 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.295 -7.575 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.247 -6.111 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.917 -5.346 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.246 -5.816 -9.411 1.00 0.00 H new ATOM 938 N ALA A 62 2.616 -5.456 -5.659 1.00 0.00 N ATOM 939 CA ALA A 62 1.791 -5.672 -4.489 1.00 0.00 C ATOM 940 C ALA A 62 0.739 -6.734 -4.772 1.00 0.00 C ATOM 941 O ALA A 62 0.434 -7.010 -5.930 1.00 0.00 O ATOM 942 CB ALA A 62 1.211 -4.329 -4.017 1.00 0.00 C ATOM 0 H ALA A 62 2.099 -5.307 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 62 2.389 -6.061 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.590 -4.490 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.025 -3.649 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.606 -3.894 -4.813 1.00 0.00 H new ATOM 948 N GLU A 63 0.167 -7.314 -3.718 1.00 0.00 N ATOM 949 CA GLU A 63 -0.868 -8.333 -3.781 1.00 0.00 C ATOM 950 C GLU A 63 -1.658 -8.332 -2.465 1.00 0.00 C ATOM 951 O GLU A 63 -1.088 -8.164 -1.387 1.00 0.00 O ATOM 952 CB GLU A 63 -0.246 -9.713 -4.051 1.00 0.00 C ATOM 953 CG GLU A 63 -1.308 -10.793 -3.826 1.00 0.00 C ATOM 954 CD GLU A 63 -0.986 -12.121 -4.485 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.224 -12.283 -5.701 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.612 -13.066 -3.748 1.00 0.00 O ATOM 0 H GLU A 63 0.425 -7.074 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.550 -8.111 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.130 -9.763 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.605 -9.878 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.430 -10.951 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.264 -10.433 -4.206 1.00 0.00 H new ATOM 963 N VAL A 64 -2.984 -8.464 -2.544 1.00 0.00 N ATOM 964 CA VAL A 64 -3.856 -8.502 -1.379 1.00 0.00 C ATOM 965 C VAL A 64 -3.602 -9.823 -0.637 1.00 0.00 C ATOM 966 O VAL A 64 -3.537 -10.892 -1.246 1.00 0.00 O ATOM 967 CB VAL A 64 -5.317 -8.266 -1.819 1.00 0.00 C ATOM 968 CG1 VAL A 64 -5.851 -9.313 -2.806 1.00 0.00 C ATOM 969 CG2 VAL A 64 -6.256 -8.149 -0.614 1.00 0.00 C ATOM 0 H VAL A 64 -3.483 -8.548 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.642 -7.701 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.299 -7.317 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.883 -9.076 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.240 -9.307 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.810 -10.300 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.276 -7.983 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.216 -9.069 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.945 -7.311 0.010 1.00 0.00 H new ATOM 979 N LEU A 65 -3.453 -9.763 0.688 1.00 0.00 N ATOM 980 CA LEU A 65 -3.198 -10.929 1.538 1.00 0.00 C ATOM 981 C LEU A 65 -4.487 -11.603 2.025 1.00 0.00 C ATOM 982 O LEU A 65 -4.506 -12.184 3.110 1.00 0.00 O ATOM 983 CB LEU A 65 -2.246 -10.557 2.693 1.00 0.00 C ATOM 984 CG LEU A 65 -0.791 -10.298 2.262 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.061 -10.088 3.520 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.214 -11.459 1.437 1.00 0.00 C ATOM 0 H LEU A 65 -3.507 -8.888 1.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.699 -11.680 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.629 -9.665 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.256 -11.361 3.429 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.775 -9.412 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.096 -9.903 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.319 -9.232 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.012 -10.979 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.814 -11.230 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.233 -12.372 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.813 -11.599 0.537 1.00 0.00 H new ATOM 998 N ALA A 66 -5.594 -11.435 1.307 1.00 0.00 N ATOM 999 CA ALA A 66 -6.899 -12.022 1.579 1.00 0.00 C ATOM 1000 C ALA A 66 -7.346 -12.649 0.273 1.00 0.00 C ATOM 1001 O ALA A 66 -8.027 -13.689 0.298 1.00 0.00 O ATOM 1002 CB ALA A 66 -7.915 -10.989 2.069 1.00 0.00 C ATOM 0 H ALA A 66 -5.603 -10.851 0.471 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.829 -12.756 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.870 -11.479 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.554 -10.532 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.046 -10.218 1.309 1.00 0.00 H new TER 1008 ALA A 66