USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 141:sc= 1.14 (180deg=-0.565) USER MOD Single : A 2 THR OG1 : rot 84:sc= 0.933 USER MOD Single : A 4 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.581 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 33 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A 42 THR OG1 : rot -93:sc= -0.215 USER MOD Single : A 48 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.172) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0853) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0152 (180deg=-0.178) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.967 -3.162 1.026 1.00 0.00 N ATOM 2 CA LEU A 1 4.686 -3.856 0.996 1.00 0.00 C ATOM 3 C LEU A 1 4.894 -5.300 0.639 1.00 0.00 C ATOM 4 O LEU A 1 4.525 -6.191 1.390 1.00 0.00 O ATOM 5 CB LEU A 1 3.746 -3.215 -0.032 1.00 0.00 C ATOM 6 CG LEU A 1 3.192 -1.829 0.295 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.505 -1.260 -0.922 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.204 -1.909 1.442 1.00 0.00 C ATOM 0 H1 LEU A 1 5.856 -2.210 0.622 1.00 0.00 H new ATOM 0 HA LEU A 1 4.235 -3.781 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.278 -3.151 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.902 -3.888 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 1 4.019 -1.182 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.110 -0.271 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.221 -1.180 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.687 -1.917 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.820 -0.913 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.378 -2.564 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.703 -2.308 2.325 1.00 0.00 H new ATOM 20 N THR A 2 5.539 -5.510 -0.476 1.00 0.00 N ATOM 21 CA THR A 2 5.829 -6.826 -0.981 1.00 0.00 C ATOM 22 C THR A 2 6.579 -7.654 0.055 1.00 0.00 C ATOM 23 O THR A 2 6.159 -8.770 0.376 1.00 0.00 O ATOM 24 CB THR A 2 6.654 -6.705 -2.278 1.00 0.00 C ATOM 25 OG1 THR A 2 5.902 -6.010 -3.267 1.00 0.00 O ATOM 26 CG2 THR A 2 7.090 -8.051 -2.800 1.00 0.00 C ATOM 0 H THR A 2 5.885 -4.757 -1.071 1.00 0.00 H new ATOM 0 HA THR A 2 4.891 -7.337 -1.197 1.00 0.00 H new ATOM 0 HB THR A 2 7.557 -6.142 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.997 -5.044 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.668 -7.917 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.706 -8.550 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.212 -8.661 -3.012 1.00 0.00 H new ATOM 34 N ALA A 3 7.613 -7.056 0.611 1.00 0.00 N ATOM 35 CA ALA A 3 8.489 -7.686 1.583 1.00 0.00 C ATOM 36 C ALA A 3 7.771 -8.107 2.859 1.00 0.00 C ATOM 37 O ALA A 3 8.005 -9.206 3.371 1.00 0.00 O ATOM 38 CB ALA A 3 9.637 -6.749 1.923 1.00 0.00 C ATOM 0 H ALA A 3 7.876 -6.094 0.395 1.00 0.00 H new ATOM 0 HA ALA A 3 8.866 -8.598 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.292 -7.226 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.203 -6.525 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.240 -5.824 2.341 1.00 0.00 H new ATOM 44 N ASN A 4 6.903 -7.257 3.357 1.00 0.00 N ATOM 45 CA ASN A 4 6.244 -7.500 4.642 1.00 0.00 C ATOM 46 C ASN A 4 4.949 -8.260 4.509 1.00 0.00 C ATOM 47 O ASN A 4 4.596 -9.050 5.383 1.00 0.00 O ATOM 48 CB ASN A 4 6.012 -6.191 5.407 1.00 0.00 C ATOM 49 CG ASN A 4 7.295 -5.591 5.948 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.697 -5.867 7.074 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.954 -4.791 5.160 1.00 0.00 N ATOM 0 H ASN A 4 6.629 -6.387 2.900 1.00 0.00 H new ATOM 0 HA ASN A 4 6.928 -8.129 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.529 -5.470 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.326 -6.375 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.831 -4.374 5.473 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.594 -4.581 4.229 1.00 0.00 H new ATOM 58 N LEU A 5 4.238 -8.030 3.436 1.00 0.00 N ATOM 59 CA LEU A 5 2.959 -8.685 3.231 1.00 0.00 C ATOM 60 C LEU A 5 3.143 -10.002 2.511 1.00 0.00 C ATOM 61 O LEU A 5 2.326 -10.918 2.660 1.00 0.00 O ATOM 62 CB LEU A 5 2.066 -7.789 2.397 1.00 0.00 C ATOM 63 CG LEU A 5 1.815 -6.393 2.948 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.159 -5.550 1.890 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.954 -6.449 4.201 1.00 0.00 C ATOM 0 H LEU A 5 4.517 -7.396 2.687 1.00 0.00 H new ATOM 0 HA LEU A 5 2.505 -8.874 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.508 -7.692 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.104 -8.286 2.270 1.00 0.00 H new ATOM 0 HG LEU A 5 2.769 -5.944 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.978 -4.549 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.812 -5.486 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.211 -6.003 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.789 -5.438 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.005 -6.909 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.460 -7.040 4.964 1.00 0.00 H new ATOM 77 N GLY A 6 4.204 -10.095 1.721 1.00 0.00 N ATOM 78 CA GLY A 6 4.483 -11.308 0.988 1.00 0.00 C ATOM 79 C GLY A 6 3.627 -11.376 -0.233 1.00 0.00 C ATOM 80 O GLY A 6 3.068 -12.428 -0.566 1.00 0.00 O ATOM 0 H GLY A 6 4.879 -9.345 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.536 -11.338 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.297 -12.176 1.621 1.00 0.00 H new ATOM 84 N ILE A 7 3.510 -10.260 -0.901 1.00 0.00 N ATOM 85 CA ILE A 7 2.616 -10.148 -2.043 1.00 0.00 C ATOM 86 C ILE A 7 3.369 -10.039 -3.352 1.00 0.00 C ATOM 87 O ILE A 7 4.598 -10.050 -3.373 1.00 0.00 O ATOM 88 CB ILE A 7 1.631 -8.960 -1.913 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.382 -7.631 -1.718 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.645 -9.208 -0.783 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.486 -6.409 -1.687 1.00 0.00 C ATOM 0 H ILE A 7 4.022 -9.406 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 7 2.039 -11.073 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 7 1.068 -8.881 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.945 -7.678 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.108 -7.515 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.040 -8.363 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.079 -10.117 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.188 -9.322 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.094 -5.515 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.942 -6.333 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.777 -6.499 -0.864 1.00 0.00 H new ATOM 103 N SER A 8 2.628 -9.977 -4.431 1.00 0.00 N ATOM 104 CA SER A 8 3.197 -9.820 -5.733 1.00 0.00 C ATOM 105 C SER A 8 3.528 -8.352 -5.982 1.00 0.00 C ATOM 106 O SER A 8 2.907 -7.452 -5.386 1.00 0.00 O ATOM 107 CB SER A 8 2.222 -10.348 -6.794 1.00 0.00 C ATOM 108 OG SER A 8 0.943 -9.717 -6.687 1.00 0.00 O ATOM 0 H SER A 8 1.610 -10.035 -4.423 1.00 0.00 H new ATOM 0 HA SER A 8 4.121 -10.395 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.634 -10.173 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.108 -11.426 -6.681 1.00 0.00 H new ATOM 0 HG SER A 8 0.344 -10.072 -7.377 1.00 0.00 H new ATOM 114 N SER A 9 4.477 -8.116 -6.856 1.00 0.00 N ATOM 115 CA SER A 9 4.907 -6.790 -7.213 1.00 0.00 C ATOM 116 C SER A 9 3.757 -6.023 -7.891 1.00 0.00 C ATOM 117 O SER A 9 3.649 -4.787 -7.774 1.00 0.00 O ATOM 118 CB SER A 9 6.087 -6.938 -8.145 1.00 0.00 C ATOM 119 OG SER A 9 7.045 -7.823 -7.567 1.00 0.00 O ATOM 0 H SER A 9 4.980 -8.856 -7.347 1.00 0.00 H new ATOM 0 HA SER A 9 5.196 -6.221 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.756 -7.324 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.541 -5.965 -8.330 1.00 0.00 H new ATOM 0 HG SER A 9 7.809 -7.919 -8.173 1.00 0.00 H new ATOM 125 N TYR A 10 2.895 -6.774 -8.575 1.00 0.00 N ATOM 126 CA TYR A 10 1.712 -6.236 -9.211 1.00 0.00 C ATOM 127 C TYR A 10 0.771 -5.706 -8.133 1.00 0.00 C ATOM 128 O TYR A 10 0.307 -4.560 -8.205 1.00 0.00 O ATOM 129 CB TYR A 10 1.012 -7.347 -10.017 1.00 0.00 C ATOM 130 CG TYR A 10 -0.159 -6.892 -10.879 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.401 -6.586 -10.324 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.021 -6.784 -12.255 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.455 -6.186 -11.113 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.075 -6.383 -13.049 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.287 -6.087 -12.471 1.00 0.00 C ATOM 136 OH TYR A 10 -3.343 -5.684 -13.258 1.00 0.00 O ATOM 0 H TYR A 10 3.007 -7.780 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 10 1.987 -5.427 -9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.750 -7.825 -10.661 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.655 -8.107 -9.322 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.538 -6.664 -9.256 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.929 -7.018 -12.713 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.410 -5.951 -10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.949 -6.302 -14.119 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.062 -5.664 -14.197 1.00 0.00 H new ATOM 146 N ALA A 11 0.518 -6.541 -7.117 1.00 0.00 N ATOM 147 CA ALA A 11 -0.372 -6.183 -6.020 1.00 0.00 C ATOM 148 C ALA A 11 0.153 -4.983 -5.277 1.00 0.00 C ATOM 149 O ALA A 11 -0.603 -4.080 -4.966 1.00 0.00 O ATOM 150 CB ALA A 11 -0.571 -7.354 -5.072 1.00 0.00 C ATOM 0 H ALA A 11 0.923 -7.474 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.342 -5.926 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.239 -7.058 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.008 -8.192 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.391 -7.653 -4.656 1.00 0.00 H new ATOM 156 N ALA A 12 1.455 -4.963 -5.033 1.00 0.00 N ATOM 157 CA ALA A 12 2.097 -3.850 -4.349 1.00 0.00 C ATOM 158 C ALA A 12 1.872 -2.550 -5.102 1.00 0.00 C ATOM 159 O ALA A 12 1.538 -1.534 -4.508 1.00 0.00 O ATOM 160 CB ALA A 12 3.576 -4.109 -4.197 1.00 0.00 C ATOM 0 H ALA A 12 2.093 -5.712 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 12 1.650 -3.758 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.042 -3.268 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.728 -5.018 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.028 -4.228 -5.182 1.00 0.00 H new ATOM 166 N LYS A 13 2.004 -2.611 -6.416 1.00 0.00 N ATOM 167 CA LYS A 13 1.830 -1.445 -7.269 1.00 0.00 C ATOM 168 C LYS A 13 0.384 -0.961 -7.202 1.00 0.00 C ATOM 169 O LYS A 13 0.112 0.253 -7.209 1.00 0.00 O ATOM 170 CB LYS A 13 2.199 -1.798 -8.699 1.00 0.00 C ATOM 171 CG LYS A 13 2.302 -0.608 -9.634 1.00 0.00 C ATOM 172 CD LYS A 13 2.706 -1.052 -11.019 1.00 0.00 C ATOM 173 CE LYS A 13 2.914 0.128 -11.948 1.00 0.00 C ATOM 174 NZ LYS A 13 3.312 -0.301 -13.307 1.00 0.00 N ATOM 0 H LYS A 13 2.234 -3.467 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 13 2.483 -0.645 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.153 -2.325 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.455 -2.490 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.344 -0.089 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.032 0.103 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.625 -1.635 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.938 -1.707 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.994 0.710 -12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.681 0.784 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.444 0.536 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.203 -0.835 -13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.569 -0.906 -13.712 1.00 0.00 H new ATOM 188 N LYS A 14 -0.534 -1.916 -7.153 1.00 0.00 N ATOM 189 CA LYS A 14 -1.946 -1.626 -6.983 1.00 0.00 C ATOM 190 C LYS A 14 -2.181 -0.927 -5.659 1.00 0.00 C ATOM 191 O LYS A 14 -2.828 0.112 -5.620 1.00 0.00 O ATOM 192 CB LYS A 14 -2.776 -2.903 -7.047 1.00 0.00 C ATOM 193 CG LYS A 14 -2.794 -3.650 -8.389 1.00 0.00 C ATOM 194 CD LYS A 14 -3.588 -2.929 -9.495 1.00 0.00 C ATOM 195 CE LYS A 14 -2.768 -1.881 -10.243 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.585 -1.136 -11.224 1.00 0.00 N ATOM 0 H LYS A 14 -0.319 -2.910 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.257 -0.970 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.407 -3.587 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.804 -2.654 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.768 -3.794 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.221 -4.641 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.957 -3.667 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.461 -2.449 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.334 -1.182 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.939 -2.368 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.990 -0.435 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.979 -1.799 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.361 -0.650 -10.731 1.00 0.00 H new ATOM 210 N VAL A 15 -1.639 -1.500 -4.586 1.00 0.00 N ATOM 211 CA VAL A 15 -1.737 -0.907 -3.247 1.00 0.00 C ATOM 212 C VAL A 15 -1.223 0.524 -3.270 1.00 0.00 C ATOM 213 O VAL A 15 -1.886 1.426 -2.766 1.00 0.00 O ATOM 214 CB VAL A 15 -0.930 -1.701 -2.188 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.082 -1.076 -0.806 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.349 -3.154 -2.156 1.00 0.00 C ATOM 0 H VAL A 15 -1.124 -2.380 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.791 -0.935 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 15 0.121 -1.656 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.506 -1.652 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.715 -0.050 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.134 -1.079 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.765 -3.685 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.408 -3.222 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.176 -3.604 -3.133 1.00 0.00 H new ATOM 226 N ILE A 16 -0.058 0.717 -3.895 1.00 0.00 N ATOM 227 CA ILE A 16 0.558 2.035 -4.042 1.00 0.00 C ATOM 228 C ILE A 16 -0.397 2.998 -4.705 1.00 0.00 C ATOM 229 O ILE A 16 -0.609 4.101 -4.220 1.00 0.00 O ATOM 230 CB ILE A 16 1.862 1.968 -4.880 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.945 1.176 -4.148 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.362 3.363 -5.250 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.359 1.758 -2.811 1.00 0.00 C ATOM 0 H ILE A 16 0.484 -0.039 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 16 0.802 2.385 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 16 1.629 1.445 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.589 0.158 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.824 1.111 -4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.277 3.278 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.601 3.878 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.565 3.930 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.131 1.131 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.750 2.765 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.495 1.797 -2.148 1.00 0.00 H new ATOM 245 N ASP A 17 -0.987 2.560 -5.792 1.00 0.00 N ATOM 246 CA ASP A 17 -1.925 3.371 -6.542 1.00 0.00 C ATOM 247 C ASP A 17 -3.087 3.792 -5.670 1.00 0.00 C ATOM 248 O ASP A 17 -3.434 4.962 -5.605 1.00 0.00 O ATOM 249 CB ASP A 17 -2.436 2.611 -7.769 1.00 0.00 C ATOM 250 CG ASP A 17 -3.501 3.367 -8.531 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.166 4.316 -9.275 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.685 3.010 -8.416 1.00 0.00 O ATOM 0 H ASP A 17 -0.832 1.631 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.402 4.266 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.599 2.403 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.838 1.649 -7.452 1.00 0.00 H new ATOM 257 N ILE A 18 -3.623 2.855 -4.948 1.00 0.00 N ATOM 258 CA ILE A 18 -4.782 3.092 -4.121 1.00 0.00 C ATOM 259 C ILE A 18 -4.452 3.981 -2.907 1.00 0.00 C ATOM 260 O ILE A 18 -5.133 4.970 -2.661 1.00 0.00 O ATOM 261 CB ILE A 18 -5.387 1.772 -3.639 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.734 0.884 -4.832 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.624 2.047 -2.807 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.118 -0.527 -4.456 1.00 0.00 C ATOM 0 H ILE A 18 -3.272 1.898 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.509 3.618 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.656 1.250 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.557 1.339 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.879 0.849 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.051 1.104 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.354 2.656 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.358 2.580 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.350 -1.094 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.289 -1.002 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.993 -0.505 -3.806 1.00 0.00 H new ATOM 276 N ILE A 19 -3.405 3.640 -2.165 1.00 0.00 N ATOM 277 CA ILE A 19 -3.018 4.432 -0.974 1.00 0.00 C ATOM 278 C ILE A 19 -2.632 5.868 -1.355 1.00 0.00 C ATOM 279 O ILE A 19 -2.718 6.787 -0.531 1.00 0.00 O ATOM 280 CB ILE A 19 -1.840 3.804 -0.161 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.562 3.738 -1.015 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.220 2.424 0.373 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.657 3.226 -0.295 1.00 0.00 C ATOM 0 H ILE A 19 -2.808 2.834 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.905 4.433 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.637 4.447 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.752 3.099 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.347 4.735 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.384 2.008 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.088 2.513 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.460 1.765 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.506 3.216 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.880 3.876 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.469 2.214 0.065 1.00 0.00 H new ATOM 295 N ASN A 20 -2.200 6.040 -2.588 1.00 0.00 N ATOM 296 CA ASN A 20 -1.778 7.328 -3.090 1.00 0.00 C ATOM 297 C ASN A 20 -3.004 8.126 -3.574 1.00 0.00 C ATOM 298 O ASN A 20 -3.098 9.330 -3.352 1.00 0.00 O ATOM 299 CB ASN A 20 -0.795 7.101 -4.246 1.00 0.00 C ATOM 300 CG ASN A 20 0.147 8.251 -4.516 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.167 9.408 -4.289 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.322 7.922 -5.012 1.00 0.00 N ATOM 0 H ASN A 20 -2.132 5.286 -3.271 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.288 7.899 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.205 6.210 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.364 6.896 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.009 8.647 -5.221 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.545 6.942 -5.187 1.00 0.00 H new ATOM 309 N THR A 21 -3.960 7.434 -4.187 1.00 0.00 N ATOM 310 CA THR A 21 -5.167 8.073 -4.713 1.00 0.00 C ATOM 311 C THR A 21 -6.182 8.376 -3.606 1.00 0.00 C ATOM 312 O THR A 21 -6.807 9.457 -3.578 1.00 0.00 O ATOM 313 CB THR A 21 -5.841 7.190 -5.795 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.977 5.851 -5.311 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.030 7.151 -7.056 1.00 0.00 C ATOM 0 H THR A 21 -3.924 6.425 -4.333 1.00 0.00 H new ATOM 0 HA THR A 21 -4.850 9.015 -5.161 1.00 0.00 H new ATOM 0 HB THR A 21 -6.817 7.625 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.142 5.361 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.532 6.523 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.924 8.161 -7.452 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.043 6.740 -6.841 1.00 0.00 H new ATOM 323 N GLY A 22 -6.341 7.433 -2.711 1.00 0.00 N ATOM 324 CA GLY A 22 -7.277 7.564 -1.641 1.00 0.00 C ATOM 325 C GLY A 22 -6.830 8.555 -0.597 1.00 0.00 C ATOM 326 O GLY A 22 -5.620 8.688 -0.302 1.00 0.00 O ATOM 0 H GLY A 22 -5.821 6.555 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.241 7.875 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.426 6.591 -1.173 1.00 0.00 H new ATOM 330 N SER A 23 -7.777 9.244 -0.051 1.00 0.00 N ATOM 331 CA SER A 23 -7.548 10.238 0.943 1.00 0.00 C ATOM 332 C SER A 23 -7.744 9.645 2.327 1.00 0.00 C ATOM 333 O SER A 23 -6.778 9.434 3.075 1.00 0.00 O ATOM 334 CB SER A 23 -8.525 11.381 0.710 1.00 0.00 C ATOM 335 OG SER A 23 -8.283 12.018 -0.543 1.00 0.00 O ATOM 0 H SER A 23 -8.761 9.127 -0.292 1.00 0.00 H new ATOM 0 HA SER A 23 -6.525 10.608 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.546 11.001 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.435 12.110 1.515 1.00 0.00 H new ATOM 0 HG SER A 23 -8.925 12.747 -0.669 1.00 0.00 H new ATOM 341 N ALA A 24 -8.983 9.348 2.634 1.00 0.00 N ATOM 342 CA ALA A 24 -9.365 8.779 3.908 1.00 0.00 C ATOM 343 C ALA A 24 -8.883 7.351 4.024 1.00 0.00 C ATOM 344 O ALA A 24 -9.092 6.543 3.113 1.00 0.00 O ATOM 345 CB ALA A 24 -10.867 8.824 4.071 1.00 0.00 C ATOM 0 H ALA A 24 -9.767 9.496 1.999 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.900 9.370 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.142 8.393 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.207 9.859 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.337 8.253 3.270 1.00 0.00 H new ATOM 351 N VAL A 25 -8.277 7.039 5.151 1.00 0.00 N ATOM 352 CA VAL A 25 -7.706 5.721 5.414 1.00 0.00 C ATOM 353 C VAL A 25 -8.752 4.624 5.274 1.00 0.00 C ATOM 354 O VAL A 25 -8.517 3.631 4.587 1.00 0.00 O ATOM 355 CB VAL A 25 -7.033 5.663 6.814 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.471 4.275 7.110 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.926 6.703 6.910 1.00 0.00 C ATOM 0 H VAL A 25 -8.162 7.696 5.923 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.935 5.548 4.663 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.799 5.881 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.008 4.273 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.278 3.543 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.725 4.017 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.463 6.652 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.175 6.506 6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.347 7.697 6.758 1.00 0.00 H new ATOM 367 N ALA A 26 -9.917 4.835 5.872 1.00 0.00 N ATOM 368 CA ALA A 26 -11.020 3.873 5.804 1.00 0.00 C ATOM 369 C ALA A 26 -11.411 3.587 4.355 1.00 0.00 C ATOM 370 O ALA A 26 -11.685 2.429 3.983 1.00 0.00 O ATOM 371 CB ALA A 26 -12.221 4.379 6.588 1.00 0.00 C ATOM 0 H ALA A 26 -10.128 5.672 6.416 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.680 2.940 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.030 3.651 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.941 4.521 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.555 5.329 6.170 1.00 0.00 H new ATOM 377 N THR A 27 -11.355 4.620 3.533 1.00 0.00 N ATOM 378 CA THR A 27 -11.707 4.510 2.143 1.00 0.00 C ATOM 379 C THR A 27 -10.650 3.680 1.410 1.00 0.00 C ATOM 380 O THR A 27 -10.972 2.786 0.629 1.00 0.00 O ATOM 381 CB THR A 27 -11.832 5.921 1.525 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.835 6.659 2.264 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.225 5.854 0.053 1.00 0.00 C ATOM 0 H THR A 27 -11.063 5.555 3.818 1.00 0.00 H new ATOM 0 HA THR A 27 -12.669 4.007 2.044 1.00 0.00 H new ATOM 0 HB THR A 27 -10.864 6.419 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.925 7.558 1.885 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.304 6.864 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.467 5.301 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.186 5.349 -0.044 1.00 0.00 H new ATOM 391 N ILE A 28 -9.404 3.927 1.744 1.00 0.00 N ATOM 392 CA ILE A 28 -8.292 3.241 1.146 1.00 0.00 C ATOM 393 C ILE A 28 -8.334 1.769 1.478 1.00 0.00 C ATOM 394 O ILE A 28 -8.239 0.946 0.583 1.00 0.00 O ATOM 395 CB ILE A 28 -6.971 3.857 1.619 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.923 5.300 1.181 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.779 3.096 1.060 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.814 6.078 1.794 1.00 0.00 C ATOM 0 H ILE A 28 -9.136 4.617 2.446 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.361 3.351 0.064 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.919 3.796 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.824 5.337 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.870 5.777 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.856 3.556 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.819 2.060 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.806 3.126 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.846 7.105 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.922 6.073 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.860 5.627 1.523 1.00 0.00 H new ATOM 410 N ILE A 29 -8.540 1.445 2.759 1.00 0.00 N ATOM 411 CA ILE A 29 -8.597 0.051 3.207 1.00 0.00 C ATOM 412 C ILE A 29 -9.647 -0.715 2.405 1.00 0.00 C ATOM 413 O ILE A 29 -9.405 -1.834 1.968 1.00 0.00 O ATOM 414 CB ILE A 29 -8.958 -0.055 4.709 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.991 0.761 5.549 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.919 -1.518 5.167 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.449 0.939 6.966 1.00 0.00 C ATOM 0 H ILE A 29 -8.670 2.130 3.503 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.607 -0.377 3.051 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.966 0.337 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.016 0.273 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.858 1.741 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.175 -1.575 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.636 -2.100 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.918 -1.921 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.715 1.530 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.410 1.453 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.555 -0.037 7.439 1.00 0.00 H new ATOM 429 N ALA A 30 -10.784 -0.068 2.159 1.00 0.00 N ATOM 430 CA ALA A 30 -11.880 -0.686 1.425 1.00 0.00 C ATOM 431 C ALA A 30 -11.483 -0.961 -0.017 1.00 0.00 C ATOM 432 O ALA A 30 -11.820 -2.003 -0.583 1.00 0.00 O ATOM 433 CB ALA A 30 -13.118 0.198 1.477 1.00 0.00 C ATOM 0 H ALA A 30 -10.968 0.889 2.460 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.112 -1.640 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.928 -0.277 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.421 0.339 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.893 1.166 1.030 1.00 0.00 H new ATOM 439 N LEU A 31 -10.750 -0.048 -0.593 1.00 0.00 N ATOM 440 CA LEU A 31 -10.323 -0.167 -1.970 1.00 0.00 C ATOM 441 C LEU A 31 -9.213 -1.210 -2.106 1.00 0.00 C ATOM 442 O LEU A 31 -9.283 -2.108 -2.965 1.00 0.00 O ATOM 443 CB LEU A 31 -9.847 1.183 -2.480 1.00 0.00 C ATOM 444 CG LEU A 31 -10.871 2.318 -2.458 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.238 3.618 -2.915 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.057 1.978 -3.326 1.00 0.00 C ATOM 0 H LEU A 31 -10.429 0.800 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.171 -0.496 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.986 1.488 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.498 1.057 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.217 2.445 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.983 4.413 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.413 3.874 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.862 3.502 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.775 2.797 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.724 1.822 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.530 1.068 -2.956 1.00 0.00 H new ATOM 458 N VAL A 32 -8.221 -1.129 -1.228 1.00 0.00 N ATOM 459 CA VAL A 32 -7.095 -2.044 -1.275 1.00 0.00 C ATOM 460 C VAL A 32 -7.583 -3.466 -1.022 1.00 0.00 C ATOM 461 O VAL A 32 -7.208 -4.389 -1.733 1.00 0.00 O ATOM 462 CB VAL A 32 -5.961 -1.690 -0.262 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.728 -2.507 -0.541 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.599 -0.232 -0.308 1.00 0.00 C ATOM 0 H VAL A 32 -8.176 -0.440 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.661 -1.955 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.344 -1.920 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.949 -2.246 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.965 -3.567 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.376 -2.300 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.806 -0.031 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.253 0.026 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.475 0.368 -0.061 1.00 0.00 H new ATOM 474 N THR A 33 -8.474 -3.617 -0.061 1.00 0.00 N ATOM 475 CA THR A 33 -9.041 -4.908 0.269 1.00 0.00 C ATOM 476 C THR A 33 -9.887 -5.463 -0.897 1.00 0.00 C ATOM 477 O THR A 33 -9.932 -6.672 -1.124 1.00 0.00 O ATOM 478 CB THR A 33 -9.856 -4.809 1.576 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.973 -4.417 2.637 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.533 -6.116 1.936 1.00 0.00 C ATOM 0 H THR A 33 -8.824 -2.849 0.511 1.00 0.00 H new ATOM 0 HA THR A 33 -8.228 -5.616 0.431 1.00 0.00 H new ATOM 0 HB THR A 33 -10.644 -4.070 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.906 -3.440 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.093 -5.992 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.215 -6.405 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.779 -6.892 2.068 1.00 0.00 H new ATOM 488 N ALA A 34 -10.491 -4.578 -1.677 1.00 0.00 N ATOM 489 CA ALA A 34 -11.276 -5.000 -2.825 1.00 0.00 C ATOM 490 C ALA A 34 -10.367 -5.554 -3.922 1.00 0.00 C ATOM 491 O ALA A 34 -10.784 -6.387 -4.736 1.00 0.00 O ATOM 492 CB ALA A 34 -12.122 -3.856 -3.350 1.00 0.00 C ATOM 0 H ALA A 34 -10.452 -3.569 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.949 -5.796 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.701 -4.196 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.800 -3.516 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.474 -3.033 -3.652 1.00 0.00 H new ATOM 498 N VAL A 35 -9.131 -5.106 -3.928 1.00 0.00 N ATOM 499 CA VAL A 35 -8.166 -5.568 -4.897 1.00 0.00 C ATOM 500 C VAL A 35 -7.362 -6.773 -4.378 1.00 0.00 C ATOM 501 O VAL A 35 -7.296 -7.801 -5.038 1.00 0.00 O ATOM 502 CB VAL A 35 -7.212 -4.425 -5.335 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.142 -4.929 -6.300 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.009 -3.300 -5.979 1.00 0.00 C ATOM 0 H VAL A 35 -8.770 -4.418 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.729 -5.897 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.708 -4.048 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.492 -4.102 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.550 -5.705 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.619 -5.340 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.332 -2.502 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.536 -3.682 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.731 -2.909 -5.262 1.00 0.00 H new ATOM 514 N VAL A 36 -6.807 -6.664 -3.185 1.00 0.00 N ATOM 515 CA VAL A 36 -5.914 -7.721 -2.662 1.00 0.00 C ATOM 516 C VAL A 36 -6.656 -8.834 -1.921 1.00 0.00 C ATOM 517 O VAL A 36 -6.053 -9.823 -1.504 1.00 0.00 O ATOM 518 CB VAL A 36 -4.793 -7.161 -1.745 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.948 -6.129 -2.478 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.355 -6.591 -0.440 1.00 0.00 C ATOM 0 H VAL A 36 -6.946 -5.873 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.460 -8.151 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.146 -7.997 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.171 -5.755 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.486 -6.591 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.581 -5.302 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.538 -6.210 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.048 -5.780 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.880 -7.376 0.104 1.00 0.00 H new ATOM 551 N LEU A 40 -4.493 -8.158 4.482 1.00 0.00 N ATOM 552 CA LEU A 40 -3.169 -7.669 4.241 1.00 0.00 C ATOM 553 C LEU A 40 -3.039 -6.193 4.610 1.00 0.00 C ATOM 554 O LEU A 40 -2.578 -5.844 5.708 1.00 0.00 O ATOM 555 CB LEU A 40 -2.814 -7.896 2.776 1.00 0.00 C ATOM 556 CG LEU A 40 -2.761 -9.350 2.312 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.594 -9.414 0.812 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.626 -10.097 2.999 1.00 0.00 C ATOM 0 HA LEU A 40 -2.471 -8.217 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.542 -7.367 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.843 -7.440 2.584 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.701 -9.830 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.558 -10.456 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.436 -8.917 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.667 -8.915 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.608 -11.130 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.677 -9.618 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.779 -10.079 4.078 1.00 0.00 H new ATOM 570 N ILE A 41 -3.487 -5.332 3.735 1.00 0.00 N ATOM 571 CA ILE A 41 -3.334 -3.930 3.951 1.00 0.00 C ATOM 572 C ILE A 41 -4.451 -3.424 4.825 1.00 0.00 C ATOM 573 O ILE A 41 -5.577 -3.205 4.371 1.00 0.00 O ATOM 574 CB ILE A 41 -3.226 -3.091 2.638 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.050 -3.553 1.754 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.064 -1.612 2.961 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.291 -4.819 0.953 1.00 0.00 C ATOM 0 H ILE A 41 -3.960 -5.584 2.867 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.377 -3.796 4.456 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.151 -3.247 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.801 -2.748 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.179 -3.707 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.990 -1.043 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.927 -1.267 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.158 -1.465 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.402 -5.054 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.506 -5.644 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.138 -4.670 0.283 1.00 0.00 H new ATOM 589 N THR A 42 -4.153 -3.348 6.073 1.00 0.00 N ATOM 590 CA THR A 42 -5.052 -2.867 7.064 1.00 0.00 C ATOM 591 C THR A 42 -4.756 -1.398 7.356 1.00 0.00 C ATOM 592 O THR A 42 -3.875 -0.805 6.717 1.00 0.00 O ATOM 593 CB THR A 42 -4.832 -3.697 8.321 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.414 -3.758 8.577 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.377 -5.103 8.136 1.00 0.00 C ATOM 0 H THR A 42 -3.246 -3.628 6.446 1.00 0.00 H new ATOM 0 HA THR A 42 -6.084 -2.951 6.724 1.00 0.00 H new ATOM 0 HB THR A 42 -5.355 -3.237 9.160 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.041 -4.563 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.210 -5.680 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.446 -5.054 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.867 -5.584 7.302 1.00 0.00 H new ATOM 603 N ALA A 43 -5.463 -0.823 8.327 1.00 0.00 N ATOM 604 CA ALA A 43 -5.285 0.574 8.738 1.00 0.00 C ATOM 605 C ALA A 43 -3.839 0.863 9.117 1.00 0.00 C ATOM 606 O ALA A 43 -3.306 1.944 8.818 1.00 0.00 O ATOM 607 CB ALA A 43 -6.205 0.901 9.906 1.00 0.00 C ATOM 0 H ALA A 43 -6.182 -1.315 8.857 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.544 1.206 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.063 1.941 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.242 0.747 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.970 0.250 10.748 1.00 0.00 H new ATOM 613 N GLY A 44 -3.204 -0.104 9.753 1.00 0.00 N ATOM 614 CA GLY A 44 -1.827 0.039 10.138 1.00 0.00 C ATOM 615 C GLY A 44 -0.920 0.072 8.935 1.00 0.00 C ATOM 616 O GLY A 44 0.005 0.882 8.868 1.00 0.00 O ATOM 0 H GLY A 44 -3.627 -0.995 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.702 0.955 10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.542 -0.788 10.788 1.00 0.00 H new ATOM 620 N ILE A 45 -1.220 -0.758 7.950 1.00 0.00 N ATOM 621 CA ILE A 45 -0.392 -0.850 6.770 1.00 0.00 C ATOM 622 C ILE A 45 -0.570 0.391 5.896 1.00 0.00 C ATOM 623 O ILE A 45 0.412 0.950 5.416 1.00 0.00 O ATOM 624 CB ILE A 45 -0.683 -2.149 5.966 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.500 -3.391 6.862 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.213 -2.251 4.731 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.889 -3.535 7.466 1.00 0.00 C ATOM 0 H ILE A 45 -2.032 -1.376 7.949 1.00 0.00 H new ATOM 0 HA ILE A 45 0.648 -0.898 7.093 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.719 -2.106 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.231 -3.352 7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.721 -4.282 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.015 -3.170 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.035 -1.394 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.258 -2.262 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.927 -4.435 8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.627 -3.610 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.109 -2.664 8.084 1.00 0.00 H new ATOM 639 N VAL A 46 -1.821 0.844 5.744 1.00 0.00 N ATOM 640 CA VAL A 46 -2.134 2.047 4.956 1.00 0.00 C ATOM 641 C VAL A 46 -1.364 3.256 5.497 1.00 0.00 C ATOM 642 O VAL A 46 -0.681 3.964 4.747 1.00 0.00 O ATOM 643 CB VAL A 46 -3.661 2.393 4.977 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.939 3.695 4.231 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.486 1.276 4.373 1.00 0.00 C ATOM 0 H VAL A 46 -2.638 0.394 6.158 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.838 1.828 3.930 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.949 2.515 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.007 3.911 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.390 4.510 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.618 3.596 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.542 1.546 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.181 1.117 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.330 0.360 4.943 1.00 0.00 H new ATOM 655 N ALA A 47 -1.459 3.460 6.803 1.00 0.00 N ATOM 656 CA ALA A 47 -0.819 4.587 7.455 1.00 0.00 C ATOM 657 C ALA A 47 0.700 4.501 7.361 1.00 0.00 C ATOM 658 O ALA A 47 1.370 5.514 7.100 1.00 0.00 O ATOM 659 CB ALA A 47 -1.270 4.694 8.896 1.00 0.00 C ATOM 0 H ALA A 47 -1.979 2.851 7.435 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.125 5.493 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.779 5.545 9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.351 4.833 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.005 3.781 9.429 1.00 0.00 H new ATOM 665 N THR A 48 1.243 3.305 7.543 1.00 0.00 N ATOM 666 CA THR A 48 2.675 3.108 7.445 1.00 0.00 C ATOM 667 C THR A 48 3.149 3.405 6.021 1.00 0.00 C ATOM 668 O THR A 48 4.088 4.177 5.819 1.00 0.00 O ATOM 669 CB THR A 48 3.073 1.668 7.840 1.00 0.00 C ATOM 670 OG1 THR A 48 2.601 1.386 9.161 1.00 0.00 O ATOM 671 CG2 THR A 48 4.582 1.500 7.808 1.00 0.00 C ATOM 0 H THR A 48 0.712 2.461 7.759 1.00 0.00 H new ATOM 0 HA THR A 48 3.156 3.796 8.140 1.00 0.00 H new ATOM 0 HB THR A 48 2.624 0.978 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.641 1.191 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.840 0.479 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.949 1.703 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.041 2.197 8.510 1.00 0.00 H new ATOM 679 N ALA A 49 2.453 2.837 5.051 1.00 0.00 N ATOM 680 CA ALA A 49 2.773 3.014 3.651 1.00 0.00 C ATOM 681 C ALA A 49 2.720 4.488 3.246 1.00 0.00 C ATOM 682 O ALA A 49 3.590 4.954 2.521 1.00 0.00 O ATOM 683 CB ALA A 49 1.864 2.163 2.790 1.00 0.00 C ATOM 0 H ALA A 49 1.645 2.237 5.217 1.00 0.00 H new ATOM 0 HA ALA A 49 3.798 2.680 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.118 2.308 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.992 1.113 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.827 2.455 2.956 1.00 0.00 H new ATOM 689 N LYS A 50 1.724 5.226 3.755 1.00 0.00 N ATOM 690 CA LYS A 50 1.631 6.669 3.497 1.00 0.00 C ATOM 691 C LYS A 50 2.848 7.418 4.013 1.00 0.00 C ATOM 692 O LYS A 50 3.306 8.381 3.398 1.00 0.00 O ATOM 693 CB LYS A 50 0.376 7.294 4.090 1.00 0.00 C ATOM 694 CG LYS A 50 -0.891 7.067 3.298 1.00 0.00 C ATOM 695 CD LYS A 50 -2.012 7.910 3.873 1.00 0.00 C ATOM 696 CE LYS A 50 -3.248 7.899 3.000 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.000 8.456 1.644 1.00 0.00 N ATOM 0 H LYS A 50 0.978 4.852 4.342 1.00 0.00 H new ATOM 0 HA LYS A 50 1.583 6.764 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.233 6.899 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.536 8.368 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.728 7.326 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.165 6.012 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.268 7.540 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.666 8.936 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.612 6.876 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.036 8.475 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.833 8.995 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.172 9.084 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.821 7.679 0.977 1.00 0.00 H new ATOM 711 N SER A 51 3.366 6.983 5.127 1.00 0.00 N ATOM 712 CA SER A 51 4.533 7.598 5.689 1.00 0.00 C ATOM 713 C SER A 51 5.728 7.292 4.807 1.00 0.00 C ATOM 714 O SER A 51 6.479 8.196 4.423 1.00 0.00 O ATOM 715 CB SER A 51 4.751 7.104 7.133 1.00 0.00 C ATOM 716 OG SER A 51 5.874 7.711 7.752 1.00 0.00 O ATOM 0 H SER A 51 2.995 6.200 5.666 1.00 0.00 H new ATOM 0 HA SER A 51 4.402 8.679 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.859 7.312 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.884 6.022 7.127 1.00 0.00 H new ATOM 0 HG SER A 51 5.970 7.368 8.665 1.00 0.00 H new ATOM 722 N LEU A 52 5.848 6.037 4.424 1.00 0.00 N ATOM 723 CA LEU A 52 6.956 5.574 3.626 1.00 0.00 C ATOM 724 C LEU A 52 6.987 6.257 2.277 1.00 0.00 C ATOM 725 O LEU A 52 8.048 6.637 1.812 1.00 0.00 O ATOM 726 CB LEU A 52 6.892 4.070 3.445 1.00 0.00 C ATOM 727 CG LEU A 52 6.755 3.259 4.719 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.604 1.815 4.387 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.930 3.471 5.649 1.00 0.00 C ATOM 0 H LEU A 52 5.174 5.309 4.661 1.00 0.00 H new ATOM 0 HA LEU A 52 7.873 5.828 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.049 3.836 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.794 3.746 2.925 1.00 0.00 H new ATOM 0 HG LEU A 52 5.863 3.603 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.506 1.238 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.714 1.674 3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.481 1.474 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.794 2.873 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.850 3.168 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.994 4.525 5.920 1.00 0.00 H new ATOM 741 N ILE A 53 5.829 6.448 1.663 1.00 0.00 N ATOM 742 CA ILE A 53 5.781 7.096 0.361 1.00 0.00 C ATOM 743 C ILE A 53 6.081 8.582 0.468 1.00 0.00 C ATOM 744 O ILE A 53 6.646 9.171 -0.456 1.00 0.00 O ATOM 745 CB ILE A 53 4.441 6.877 -0.425 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.257 7.563 0.273 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.164 5.395 -0.592 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.930 7.420 -0.455 1.00 0.00 C ATOM 0 H ILE A 53 4.923 6.168 2.038 1.00 0.00 H new ATOM 0 HA ILE A 53 6.561 6.604 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 53 4.557 7.332 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.153 7.150 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.483 8.623 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.231 5.259 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.981 4.932 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.081 4.928 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.150 7.933 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.011 7.860 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.677 6.364 -0.545 1.00 0.00 H new ATOM 760 N LYS A 54 5.756 9.182 1.609 1.00 0.00 N ATOM 761 CA LYS A 54 5.973 10.594 1.781 1.00 0.00 C ATOM 762 C LYS A 54 7.464 10.899 1.872 1.00 0.00 C ATOM 763 O LYS A 54 7.944 11.849 1.271 1.00 0.00 O ATOM 764 CB LYS A 54 5.251 11.097 3.021 1.00 0.00 C ATOM 765 CG LYS A 54 5.267 12.613 3.171 1.00 0.00 C ATOM 766 CD LYS A 54 4.572 13.063 4.447 1.00 0.00 C ATOM 767 CE LYS A 54 3.120 12.596 4.511 1.00 0.00 C ATOM 768 NZ LYS A 54 2.314 13.074 3.362 1.00 0.00 N ATOM 0 H LYS A 54 5.346 8.709 2.414 1.00 0.00 H new ATOM 0 HA LYS A 54 5.568 11.112 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.216 10.755 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.709 10.649 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.298 12.967 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.777 13.068 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.114 12.676 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.605 14.151 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.094 11.507 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.669 12.950 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.317 12.816 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.396 14.108 3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.663 12.634 2.486 1.00 0.00 H new ATOM 782 N LYS A 55 8.185 10.068 2.584 1.00 0.00 N ATOM 783 CA LYS A 55 9.610 10.280 2.789 1.00 0.00 C ATOM 784 C LYS A 55 10.478 9.524 1.794 1.00 0.00 C ATOM 785 O LYS A 55 11.264 10.124 1.058 1.00 0.00 O ATOM 786 CB LYS A 55 10.003 9.941 4.239 1.00 0.00 C ATOM 787 CG LYS A 55 9.427 8.643 4.770 1.00 0.00 C ATOM 788 CD LYS A 55 9.663 8.480 6.252 1.00 0.00 C ATOM 789 CE LYS A 55 8.845 9.477 7.072 1.00 0.00 C ATOM 790 NZ LYS A 55 9.091 9.342 8.518 1.00 0.00 N ATOM 0 H LYS A 55 7.813 9.233 3.036 1.00 0.00 H new ATOM 0 HA LYS A 55 9.798 11.338 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.090 9.892 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.681 10.756 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.356 8.613 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.875 7.804 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.404 7.464 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.723 8.615 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.090 10.491 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.784 9.327 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.516 10.037 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.833 8.383 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.098 9.510 8.716 1.00 0.00 H new ATOM 804 N TYR A 56 10.316 8.230 1.756 1.00 0.00 N ATOM 805 CA TYR A 56 11.164 7.372 0.959 1.00 0.00 C ATOM 806 C TYR A 56 10.637 7.283 -0.469 1.00 0.00 C ATOM 807 O TYR A 56 11.405 7.365 -1.437 1.00 0.00 O ATOM 808 CB TYR A 56 11.233 5.977 1.600 1.00 0.00 C ATOM 809 CG TYR A 56 11.500 5.992 3.104 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.446 6.833 3.676 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.807 5.147 3.941 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.687 6.814 5.038 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.033 5.121 5.295 1.00 0.00 C ATOM 814 CZ TYR A 56 11.971 5.946 5.843 1.00 0.00 C ATOM 815 OH TYR A 56 12.203 5.890 7.209 1.00 0.00 O ATOM 0 H TYR A 56 9.592 7.735 2.276 1.00 0.00 H new ATOM 0 HA TYR A 56 12.168 7.794 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.293 5.457 1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.018 5.402 1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.002 7.513 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.064 4.485 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.428 7.471 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.469 4.449 5.925 1.00 0.00 H new ATOM 0 HH TYR A 56 11.608 5.225 7.615 1.00 0.00 H new ATOM 825 N GLY A 57 9.340 7.122 -0.600 1.00 0.00 N ATOM 826 CA GLY A 57 8.731 7.090 -1.906 1.00 0.00 C ATOM 827 C GLY A 57 7.889 5.859 -2.144 1.00 0.00 C ATOM 828 O GLY A 57 7.921 4.900 -1.356 1.00 0.00 O ATOM 0 H GLY A 57 8.691 7.012 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.109 7.976 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.512 7.139 -2.665 1.00 0.00 H new ATOM 832 N ALA A 58 7.148 5.882 -3.234 1.00 0.00 N ATOM 833 CA ALA A 58 6.245 4.810 -3.616 1.00 0.00 C ATOM 834 C ALA A 58 7.008 3.555 -4.013 1.00 0.00 C ATOM 835 O ALA A 58 6.577 2.443 -3.725 1.00 0.00 O ATOM 836 CB ALA A 58 5.330 5.278 -4.744 1.00 0.00 C ATOM 0 H ALA A 58 7.156 6.661 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 58 5.632 4.553 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.656 4.469 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.747 6.136 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.932 5.564 -5.606 1.00 0.00 H new ATOM 842 N LYS A 59 8.163 3.751 -4.629 1.00 0.00 N ATOM 843 CA LYS A 59 9.028 2.654 -5.071 1.00 0.00 C ATOM 844 C LYS A 59 9.488 1.873 -3.836 1.00 0.00 C ATOM 845 O LYS A 59 9.512 0.622 -3.829 1.00 0.00 O ATOM 846 CB LYS A 59 10.239 3.252 -5.852 1.00 0.00 C ATOM 847 CG LYS A 59 11.103 2.277 -6.679 1.00 0.00 C ATOM 848 CD LYS A 59 11.883 1.274 -5.839 1.00 0.00 C ATOM 849 CE LYS A 59 12.778 0.393 -6.698 1.00 0.00 C ATOM 850 NZ LYS A 59 13.871 1.158 -7.327 1.00 0.00 N ATOM 0 H LYS A 59 8.534 4.677 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 59 8.496 1.973 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.859 4.020 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.889 3.752 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.459 1.733 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.804 2.852 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.491 1.807 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.187 0.649 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.200 -0.403 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.179 -0.086 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.576 0.500 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.486 1.747 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.323 1.767 -6.615 1.00 0.00 H new ATOM 864 N TYR A 60 9.802 2.618 -2.784 1.00 0.00 N ATOM 865 CA TYR A 60 10.253 2.049 -1.541 1.00 0.00 C ATOM 866 C TYR A 60 9.132 1.263 -0.927 1.00 0.00 C ATOM 867 O TYR A 60 9.297 0.104 -0.571 1.00 0.00 O ATOM 868 CB TYR A 60 10.710 3.159 -0.566 1.00 0.00 C ATOM 869 CG TYR A 60 11.056 2.657 0.831 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.061 2.459 1.779 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.355 2.367 1.184 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.344 1.985 3.033 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.659 1.887 2.445 1.00 0.00 C ATOM 874 CZ TYR A 60 11.647 1.697 3.366 1.00 0.00 C ATOM 875 OH TYR A 60 11.946 1.230 4.631 1.00 0.00 O ATOM 0 H TYR A 60 9.748 3.637 -2.779 1.00 0.00 H new ATOM 0 HA TYR A 60 11.102 1.395 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.582 3.661 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.920 3.906 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.037 2.685 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.148 2.516 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.552 1.839 3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.682 1.662 2.708 1.00 0.00 H new ATOM 0 HH TYR A 60 12.911 1.075 4.703 1.00 0.00 H new ATOM 885 N ALA A 61 7.985 1.904 -0.821 1.00 0.00 N ATOM 886 CA ALA A 61 6.838 1.305 -0.196 1.00 0.00 C ATOM 887 C ALA A 61 6.379 0.074 -0.926 1.00 0.00 C ATOM 888 O ALA A 61 5.983 -0.867 -0.300 1.00 0.00 O ATOM 889 CB ALA A 61 5.726 2.283 -0.083 1.00 0.00 C ATOM 0 H ALA A 61 7.829 2.851 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 61 7.142 1.001 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.869 1.806 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.049 3.133 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.443 2.628 -1.077 1.00 0.00 H new ATOM 895 N ALA A 62 6.447 0.085 -2.246 1.00 0.00 N ATOM 896 CA ALA A 62 6.071 -1.077 -3.043 1.00 0.00 C ATOM 897 C ALA A 62 6.940 -2.273 -2.671 1.00 0.00 C ATOM 898 O ALA A 62 6.445 -3.398 -2.531 1.00 0.00 O ATOM 899 CB ALA A 62 6.178 -0.769 -4.527 1.00 0.00 C ATOM 0 H ALA A 62 6.760 0.887 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 62 5.032 -1.326 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.893 -1.650 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.513 0.058 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.205 -0.494 -4.768 1.00 0.00 H new ATOM 905 N ALA A 63 8.221 -2.014 -2.467 1.00 0.00 N ATOM 906 CA ALA A 63 9.149 -3.045 -2.058 1.00 0.00 C ATOM 907 C ALA A 63 8.842 -3.475 -0.627 1.00 0.00 C ATOM 908 O ALA A 63 8.765 -4.666 -0.336 1.00 0.00 O ATOM 909 CB ALA A 63 10.584 -2.558 -2.183 1.00 0.00 C ATOM 0 H ALA A 63 8.640 -1.091 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 63 9.033 -3.907 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.265 -3.349 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.789 -2.292 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.728 -1.683 -1.549 1.00 0.00 H new ATOM 915 N TRP A 64 8.624 -2.490 0.243 1.00 0.00 N ATOM 916 CA TRP A 64 8.276 -2.718 1.646 1.00 0.00 C ATOM 917 C TRP A 64 7.005 -3.562 1.762 1.00 0.00 C ATOM 918 O TRP A 64 6.972 -4.550 2.515 1.00 0.00 O ATOM 919 CB TRP A 64 8.094 -1.371 2.381 1.00 0.00 C ATOM 920 CG TRP A 64 7.667 -1.505 3.818 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.475 -1.598 4.900 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.319 -1.545 4.323 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.728 -1.707 6.046 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.400 -1.674 5.717 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.059 -1.484 3.727 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.268 -1.744 6.524 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.941 -1.552 4.529 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.051 -1.680 5.909 1.00 0.00 C ATOM 0 H TRP A 64 8.684 -1.503 -0.007 1.00 0.00 H new ATOM 0 HA TRP A 64 9.094 -3.266 2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.033 -0.819 2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.353 -0.776 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.554 -1.588 4.866 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.102 -1.798 6.991 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.962 -1.385 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.349 -1.845 7.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.961 -1.505 4.077 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.154 -1.730 6.508 1.00 0.00 H new