USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-3.3!) USER MOD Single : A 14 ASN : amide:sc= 0.0491 X(o=0.049,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 53:sc= 0.304 USER MOD Single : A 30 THR OG1 : rot 33:sc= 0.235 USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= -0.203 (180deg=-1) USER MOD Single : A 37 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 45 N ALA A 5 8.576 5.442 0.851 1.00 0.00 N ATOM 46 CA ALA A 5 9.151 4.148 1.332 1.00 0.00 C ATOM 47 C ALA A 5 8.267 2.979 0.885 1.00 0.00 C ATOM 48 O ALA A 5 8.677 1.837 0.920 1.00 0.00 O ATOM 49 CB ALA A 5 9.224 4.167 2.859 1.00 0.00 C ATOM 0 HA ALA A 5 10.149 4.023 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.643 3.226 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.859 4.992 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.223 4.297 3.270 1.00 0.00 H new ATOM 55 N ILE A 6 7.055 3.247 0.474 1.00 0.00 N ATOM 56 CA ILE A 6 6.156 2.138 0.039 1.00 0.00 C ATOM 57 C ILE A 6 6.689 1.528 -1.247 1.00 0.00 C ATOM 58 O ILE A 6 6.526 0.349 -1.493 1.00 0.00 O ATOM 59 CB ILE A 6 4.732 2.674 -0.154 1.00 0.00 C ATOM 60 CG1 ILE A 6 4.211 3.150 1.211 1.00 0.00 C ATOM 61 CG2 ILE A 6 3.818 1.564 -0.702 1.00 0.00 C ATOM 62 CD1 ILE A 6 2.884 3.896 1.040 1.00 0.00 C ATOM 0 H ILE A 6 6.650 4.182 0.421 1.00 0.00 H new ATOM 0 HA ILE A 6 6.128 1.362 0.803 1.00 0.00 H new ATOM 0 HB ILE A 6 4.737 3.499 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.074 2.296 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.946 3.803 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.810 1.956 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.202 1.217 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.794 0.732 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.525 4.228 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.034 4.761 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.148 3.230 0.590 1.00 0.00 H new ATOM 74 N ARG A 7 7.355 2.302 -2.058 1.00 0.00 N ATOM 75 CA ARG A 7 7.931 1.729 -3.313 1.00 0.00 C ATOM 76 C ARG A 7 8.799 0.533 -2.912 1.00 0.00 C ATOM 77 O ARG A 7 8.925 -0.441 -3.628 1.00 0.00 O ATOM 78 CB ARG A 7 8.787 2.783 -4.024 1.00 0.00 C ATOM 79 CG ARG A 7 7.882 3.864 -4.621 1.00 0.00 C ATOM 80 CD ARG A 7 8.744 4.961 -5.248 1.00 0.00 C ATOM 81 NE ARG A 7 9.502 4.394 -6.403 1.00 0.00 N ATOM 82 CZ ARG A 7 10.088 5.186 -7.265 1.00 0.00 C ATOM 83 NH1 ARG A 7 10.011 6.482 -7.125 1.00 0.00 N ATOM 84 NH2 ARG A 7 10.749 4.679 -8.270 1.00 0.00 N ATOM 0 H ARG A 7 7.526 3.297 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 7 7.139 1.419 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.489 3.230 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.379 2.315 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.225 3.428 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.243 4.287 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.116 5.787 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.435 5.364 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 7 9.564 3.383 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.493 6.880 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.469 7.096 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.808 3.667 -8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.206 5.295 -8.942 1.00 0.00 H new ATOM 98 N ARG A 8 9.372 0.608 -1.738 1.00 0.00 N ATOM 99 CA ARG A 8 10.216 -0.511 -1.225 1.00 0.00 C ATOM 100 C ARG A 8 9.304 -1.632 -0.710 1.00 0.00 C ATOM 101 O ARG A 8 9.201 -2.668 -1.316 1.00 0.00 O ATOM 102 CB ARG A 8 11.102 -0.005 -0.082 1.00 0.00 C ATOM 103 CG ARG A 8 12.087 -1.101 0.331 1.00 0.00 C ATOM 104 CD ARG A 8 13.042 -0.556 1.394 1.00 0.00 C ATOM 105 NE ARG A 8 12.256 -0.097 2.579 1.00 0.00 N ATOM 106 CZ ARG A 8 12.853 0.148 3.717 1.00 0.00 C ATOM 107 NH1 ARG A 8 14.146 -0.007 3.828 1.00 0.00 N ATOM 108 NH2 ARG A 8 12.157 0.548 4.745 1.00 0.00 N ATOM 0 H ARG A 8 9.290 1.405 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 8 10.848 -0.891 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.645 0.886 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.485 0.283 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.546 -1.963 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.650 -1.444 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.752 -1.328 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.623 0.271 0.987 1.00 0.00 H new ATOM 0 HE ARG A 8 11.247 0.026 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.693 -0.320 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.608 0.185 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.148 0.670 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.622 0.739 5.633 1.00 0.00 H new ATOM 122 N LEU A 9 8.644 -1.424 0.408 1.00 0.00 N ATOM 123 CA LEU A 9 7.725 -2.468 0.991 1.00 0.00 C ATOM 124 C LEU A 9 6.878 -3.136 -0.109 1.00 0.00 C ATOM 125 O LEU A 9 6.881 -4.342 -0.254 1.00 0.00 O ATOM 126 CB LEU A 9 6.797 -1.766 2.034 1.00 0.00 C ATOM 127 CG LEU A 9 6.504 -2.684 3.256 1.00 0.00 C ATOM 128 CD1 LEU A 9 7.646 -2.607 4.286 1.00 0.00 C ATOM 129 CD2 LEU A 9 5.172 -2.269 3.923 1.00 0.00 C ATOM 0 H LEU A 9 8.702 -0.563 0.952 1.00 0.00 H new ATOM 0 HA LEU A 9 8.315 -3.250 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.267 -0.844 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.858 -1.487 1.556 1.00 0.00 H new ATOM 0 HG LEU A 9 6.426 -3.711 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.418 -3.257 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.578 -2.929 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.751 -1.580 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.975 -2.917 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.241 -1.235 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.360 -2.362 3.202 1.00 0.00 H new ATOM 141 N LEU A 10 6.148 -2.368 -0.872 1.00 0.00 N ATOM 142 CA LEU A 10 5.297 -2.972 -1.941 1.00 0.00 C ATOM 143 C LEU A 10 6.159 -3.896 -2.822 1.00 0.00 C ATOM 144 O LEU A 10 5.825 -5.041 -3.049 1.00 0.00 O ATOM 145 CB LEU A 10 4.664 -1.833 -2.780 1.00 0.00 C ATOM 146 CG LEU A 10 3.316 -2.264 -3.421 1.00 0.00 C ATOM 147 CD1 LEU A 10 3.486 -3.585 -4.189 1.00 0.00 C ATOM 148 CD2 LEU A 10 2.203 -2.414 -2.351 1.00 0.00 C ATOM 0 H LEU A 10 6.103 -1.351 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 10 4.499 -3.569 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.502 -0.962 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.358 -1.531 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 10 3.015 -1.481 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.533 -3.873 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.228 -3.455 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.818 -4.364 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.273 -2.716 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.497 -3.170 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.055 -1.461 -1.844 1.00 0.00 H new ATOM 160 N ALA A 11 7.271 -3.409 -3.309 1.00 0.00 N ATOM 161 CA ALA A 11 8.152 -4.264 -4.163 1.00 0.00 C ATOM 162 C ALA A 11 8.915 -5.260 -3.286 1.00 0.00 C ATOM 163 O ALA A 11 9.431 -6.252 -3.763 1.00 0.00 O ATOM 164 CB ALA A 11 9.148 -3.377 -4.912 1.00 0.00 C ATOM 0 H ALA A 11 7.607 -2.459 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 11 7.539 -4.812 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.791 -3.998 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.605 -2.671 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.758 -2.829 -4.194 1.00 0.00 H new ATOM 170 N GLU A 12 8.990 -5.008 -2.009 1.00 0.00 N ATOM 171 CA GLU A 12 9.718 -5.940 -1.107 1.00 0.00 C ATOM 172 C GLU A 12 8.931 -7.257 -1.046 1.00 0.00 C ATOM 173 O GLU A 12 9.376 -8.284 -1.521 1.00 0.00 O ATOM 174 CB GLU A 12 9.806 -5.333 0.303 1.00 0.00 C ATOM 175 CG GLU A 12 10.840 -6.100 1.137 1.00 0.00 C ATOM 176 CD GLU A 12 10.869 -5.536 2.559 1.00 0.00 C ATOM 177 OE1 GLU A 12 9.816 -5.161 3.048 1.00 0.00 O ATOM 178 OE2 GLU A 12 11.944 -5.487 3.134 1.00 0.00 O ATOM 0 H GLU A 12 8.577 -4.195 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 12 10.727 -6.115 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.085 -4.281 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.831 -5.375 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.590 -7.161 1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.826 -6.015 0.681 1.00 0.00 H new ATOM 185 N HIS A 13 7.757 -7.226 -0.455 1.00 0.00 N ATOM 186 CA HIS A 13 6.931 -8.455 -0.347 1.00 0.00 C ATOM 187 C HIS A 13 6.631 -9.041 -1.741 1.00 0.00 C ATOM 188 O HIS A 13 6.558 -10.242 -1.897 1.00 0.00 O ATOM 189 CB HIS A 13 5.644 -8.073 0.366 1.00 0.00 C ATOM 190 CG HIS A 13 5.998 -7.400 1.665 1.00 0.00 C ATOM 191 ND1 HIS A 13 6.728 -8.039 2.660 1.00 0.00 N ATOM 192 CD2 HIS A 13 5.754 -6.135 2.140 1.00 0.00 C ATOM 193 CE1 HIS A 13 6.891 -7.159 3.668 1.00 0.00 C ATOM 194 NE2 HIS A 13 6.315 -5.994 3.403 1.00 0.00 N ATOM 0 H HIS A 13 7.340 -6.391 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 13 7.464 -9.224 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.050 -7.404 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.037 -8.959 0.552 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.076 -8.997 2.633 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.209 -5.367 1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.426 -7.376 4.581 1.00 0.00 H new ATOM 202 N ASN A 14 6.478 -8.206 -2.750 1.00 0.00 N ATOM 203 CA ASN A 14 6.212 -8.688 -4.151 1.00 0.00 C ATOM 204 C ASN A 14 4.731 -9.073 -4.360 1.00 0.00 C ATOM 205 O ASN A 14 4.401 -10.233 -4.511 1.00 0.00 O ATOM 206 CB ASN A 14 7.132 -9.891 -4.496 1.00 0.00 C ATOM 207 CG ASN A 14 7.340 -9.985 -6.014 1.00 0.00 C ATOM 208 OD1 ASN A 14 8.339 -9.527 -6.533 1.00 0.00 O ATOM 209 ND2 ASN A 14 6.430 -10.563 -6.750 1.00 0.00 N ATOM 0 H ASN A 14 6.527 -7.191 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 14 6.435 -7.861 -4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.094 -9.777 -3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.688 -10.815 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.558 -10.630 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.591 -10.948 -6.315 1.00 0.00 H new ATOM 216 N LEU A 15 3.845 -8.099 -4.416 1.00 0.00 N ATOM 217 CA LEU A 15 2.384 -8.380 -4.670 1.00 0.00 C ATOM 218 C LEU A 15 1.861 -7.341 -5.665 1.00 0.00 C ATOM 219 O LEU A 15 2.083 -6.156 -5.512 1.00 0.00 O ATOM 220 CB LEU A 15 1.573 -8.272 -3.363 1.00 0.00 C ATOM 221 CG LEU A 15 1.884 -9.467 -2.417 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.565 -9.079 -0.967 1.00 0.00 C ATOM 223 CD2 LEU A 15 1.033 -10.696 -2.789 1.00 0.00 C ATOM 0 H LEU A 15 4.072 -7.112 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 15 2.276 -9.390 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.809 -7.334 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.508 -8.252 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 15 2.941 -9.713 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.785 -9.920 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.174 -8.222 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.510 -8.819 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.268 -11.519 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.024 -10.446 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.253 -10.994 -3.814 1.00 0.00 H new ATOM 235 N ASP A 16 1.165 -7.774 -6.680 1.00 0.00 N ATOM 236 CA ASP A 16 0.628 -6.807 -7.677 1.00 0.00 C ATOM 237 C ASP A 16 -0.294 -5.811 -6.969 1.00 0.00 C ATOM 238 O ASP A 16 -1.307 -6.182 -6.411 1.00 0.00 O ATOM 239 CB ASP A 16 -0.164 -7.564 -8.746 1.00 0.00 C ATOM 240 CG ASP A 16 -1.244 -8.415 -8.075 1.00 0.00 C ATOM 241 OD1 ASP A 16 -0.885 -9.303 -7.320 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.410 -8.164 -8.327 1.00 0.00 O ATOM 0 H ASP A 16 0.946 -8.753 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 16 1.452 -6.271 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.621 -6.860 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.505 -8.199 -9.328 1.00 0.00 H new ATOM 247 N ALA A 17 0.057 -4.550 -6.978 1.00 0.00 N ATOM 248 CA ALA A 17 -0.792 -3.521 -6.297 1.00 0.00 C ATOM 249 C ALA A 17 -2.274 -3.698 -6.671 1.00 0.00 C ATOM 250 O ALA A 17 -3.149 -3.143 -6.036 1.00 0.00 O ATOM 251 CB ALA A 17 -0.324 -2.125 -6.718 1.00 0.00 C ATOM 0 H ALA A 17 0.897 -4.186 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.691 -3.642 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.938 -1.371 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.718 -1.988 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.418 -2.020 -7.799 1.00 0.00 H new ATOM 257 N SER A 18 -2.566 -4.467 -7.690 1.00 0.00 N ATOM 258 CA SER A 18 -3.990 -4.674 -8.086 1.00 0.00 C ATOM 259 C SER A 18 -4.681 -5.558 -7.045 1.00 0.00 C ATOM 260 O SER A 18 -5.891 -5.564 -6.927 1.00 0.00 O ATOM 261 CB SER A 18 -4.044 -5.359 -9.452 1.00 0.00 C ATOM 262 OG SER A 18 -5.401 -5.584 -9.811 1.00 0.00 O ATOM 0 H SER A 18 -1.880 -4.959 -8.263 1.00 0.00 H new ATOM 0 HA SER A 18 -4.497 -3.711 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.555 -4.738 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.503 -6.305 -9.419 1.00 0.00 H new ATOM 0 HG SER A 18 -5.439 -6.022 -10.687 1.00 0.00 H new ATOM 268 N ALA A 19 -3.922 -6.306 -6.286 1.00 0.00 N ATOM 269 CA ALA A 19 -4.530 -7.192 -5.248 1.00 0.00 C ATOM 270 C ALA A 19 -4.952 -6.351 -4.041 1.00 0.00 C ATOM 271 O ALA A 19 -5.068 -6.847 -2.937 1.00 0.00 O ATOM 272 CB ALA A 19 -3.503 -8.236 -4.805 1.00 0.00 C ATOM 0 H ALA A 19 -2.904 -6.341 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.403 -7.693 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.945 -8.883 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.201 -8.836 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.630 -7.734 -4.388 1.00 0.00 H new ATOM 278 N ILE A 20 -5.184 -5.078 -4.248 1.00 0.00 N ATOM 279 CA ILE A 20 -5.606 -4.164 -3.134 1.00 0.00 C ATOM 280 C ILE A 20 -6.718 -3.245 -3.668 1.00 0.00 C ATOM 281 O ILE A 20 -6.933 -3.147 -4.860 1.00 0.00 O ATOM 282 CB ILE A 20 -4.378 -3.333 -2.662 1.00 0.00 C ATOM 283 CG1 ILE A 20 -3.428 -4.226 -1.806 1.00 0.00 C ATOM 284 CG2 ILE A 20 -4.830 -2.124 -1.824 1.00 0.00 C ATOM 285 CD1 ILE A 20 -2.005 -3.644 -1.748 1.00 0.00 C ATOM 0 H ILE A 20 -5.098 -4.623 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.982 -4.731 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.849 -2.974 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.826 -4.317 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.394 -5.231 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.956 -1.556 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.477 -1.486 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.377 -2.473 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.371 -4.292 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.598 -3.577 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.036 -2.650 -1.303 1.00 0.00 H new ATOM 297 N LYS A 21 -7.420 -2.574 -2.783 1.00 0.00 N ATOM 298 CA LYS A 21 -8.528 -1.646 -3.192 1.00 0.00 C ATOM 299 C LYS A 21 -8.314 -0.303 -2.496 1.00 0.00 C ATOM 300 O LYS A 21 -8.466 -0.183 -1.296 1.00 0.00 O ATOM 301 CB LYS A 21 -9.873 -2.236 -2.752 1.00 0.00 C ATOM 302 CG LYS A 21 -10.118 -3.569 -3.477 1.00 0.00 C ATOM 303 CD LYS A 21 -11.305 -4.309 -2.836 1.00 0.00 C ATOM 304 CE LYS A 21 -12.605 -3.508 -3.017 1.00 0.00 C ATOM 305 NZ LYS A 21 -13.771 -4.401 -2.764 1.00 0.00 N ATOM 0 H LYS A 21 -7.269 -2.631 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.529 -1.514 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.877 -2.392 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.678 -1.536 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.320 -3.386 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.223 -4.189 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.413 -5.295 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.113 -4.465 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.624 -2.662 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.657 -3.100 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.653 -3.863 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.754 -5.194 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.721 -4.770 -1.793 1.00 0.00 H new ATOM 319 N GLY A 22 -7.945 0.707 -3.237 1.00 0.00 N ATOM 320 CA GLY A 22 -7.698 2.045 -2.619 1.00 0.00 C ATOM 321 C GLY A 22 -8.853 2.452 -1.729 1.00 0.00 C ATOM 322 O GLY A 22 -9.844 3.000 -2.162 1.00 0.00 O ATOM 0 H GLY A 22 -7.803 0.665 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.777 2.016 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.557 2.791 -3.401 1.00 0.00 H new ATOM 326 N THR A 23 -8.719 2.167 -0.475 1.00 0.00 N ATOM 327 CA THR A 23 -9.778 2.504 0.501 1.00 0.00 C ATOM 328 C THR A 23 -9.660 3.990 0.922 1.00 0.00 C ATOM 329 O THR A 23 -10.256 4.423 1.888 1.00 0.00 O ATOM 330 CB THR A 23 -9.567 1.554 1.689 1.00 0.00 C ATOM 331 OG1 THR A 23 -10.002 0.255 1.313 1.00 0.00 O ATOM 332 CG2 THR A 23 -10.346 1.995 2.944 1.00 0.00 C ATOM 0 H THR A 23 -7.902 1.704 -0.075 1.00 0.00 H new ATOM 0 HA THR A 23 -10.779 2.382 0.086 1.00 0.00 H new ATOM 0 HB THR A 23 -8.506 1.565 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.559 -0.010 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.161 1.289 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.016 2.989 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.412 2.020 2.720 1.00 0.00 H new ATOM 340 N GLY A 24 -8.908 4.789 0.199 1.00 0.00 N ATOM 341 CA GLY A 24 -8.769 6.229 0.564 1.00 0.00 C ATOM 342 C GLY A 24 -9.980 7.008 0.025 1.00 0.00 C ATOM 343 O GLY A 24 -11.057 6.958 0.583 1.00 0.00 O ATOM 0 H GLY A 24 -8.386 4.501 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.705 6.337 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.847 6.634 0.148 1.00 0.00 H new ATOM 347 N VAL A 25 -9.815 7.699 -1.085 1.00 0.00 N ATOM 348 CA VAL A 25 -10.963 8.461 -1.712 1.00 0.00 C ATOM 349 C VAL A 25 -10.848 8.308 -3.235 1.00 0.00 C ATOM 350 O VAL A 25 -9.758 8.205 -3.762 1.00 0.00 O ATOM 351 CB VAL A 25 -10.927 9.969 -1.349 1.00 0.00 C ATOM 352 CG1 VAL A 25 -11.289 10.180 0.130 1.00 0.00 C ATOM 353 CG2 VAL A 25 -9.536 10.566 -1.627 1.00 0.00 C ATOM 0 H VAL A 25 -8.931 7.771 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.902 8.056 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.662 10.478 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.258 11.244 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.292 9.796 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.574 9.649 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.535 11.624 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.790 10.043 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.297 10.454 -2.685 1.00 0.00 H new ATOM 363 N GLY A 26 -11.948 8.283 -3.962 1.00 0.00 N ATOM 364 CA GLY A 26 -11.845 8.126 -5.443 1.00 0.00 C ATOM 365 C GLY A 26 -11.018 6.875 -5.766 1.00 0.00 C ATOM 366 O GLY A 26 -10.626 6.652 -6.894 1.00 0.00 O ATOM 0 H GLY A 26 -12.896 8.364 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.840 8.041 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.378 9.008 -5.882 1.00 0.00 H new ATOM 370 N GLY A 27 -10.750 6.054 -4.776 1.00 0.00 N ATOM 371 CA GLY A 27 -9.949 4.813 -5.010 1.00 0.00 C ATOM 372 C GLY A 27 -8.452 5.121 -4.904 1.00 0.00 C ATOM 373 O GLY A 27 -7.652 4.603 -5.659 1.00 0.00 O ATOM 0 H GLY A 27 -11.054 6.193 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.223 4.051 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.175 4.406 -5.996 1.00 0.00 H new ATOM 377 N ARG A 28 -8.057 5.950 -3.967 1.00 0.00 N ATOM 378 CA ARG A 28 -6.604 6.276 -3.807 1.00 0.00 C ATOM 379 C ARG A 28 -5.956 5.204 -2.928 1.00 0.00 C ATOM 380 O ARG A 28 -6.581 4.650 -2.045 1.00 0.00 O ATOM 381 CB ARG A 28 -6.460 7.660 -3.142 1.00 0.00 C ATOM 382 CG ARG A 28 -6.797 8.795 -4.150 1.00 0.00 C ATOM 383 CD ARG A 28 -5.567 9.157 -5.001 1.00 0.00 C ATOM 384 NE ARG A 28 -5.912 10.299 -5.901 1.00 0.00 N ATOM 385 CZ ARG A 28 -4.969 10.971 -6.512 1.00 0.00 C ATOM 386 NH1 ARG A 28 -3.715 10.656 -6.329 1.00 0.00 N ATOM 387 NH2 ARG A 28 -5.283 11.960 -7.302 1.00 0.00 N ATOM 0 H ARG A 28 -8.679 6.415 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.113 6.299 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.123 7.725 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.443 7.786 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.613 8.479 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.142 9.676 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.730 9.426 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.251 8.296 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.889 10.557 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.468 9.885 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.982 11.181 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.262 12.209 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.550 12.485 -7.779 1.00 0.00 H new ATOM 401 N LEU A 29 -4.708 4.900 -3.170 1.00 0.00 N ATOM 402 CA LEU A 29 -4.003 3.853 -2.361 1.00 0.00 C ATOM 403 C LEU A 29 -3.348 4.513 -1.139 1.00 0.00 C ATOM 404 O LEU A 29 -2.498 5.373 -1.272 1.00 0.00 O ATOM 405 CB LEU A 29 -2.949 3.192 -3.264 1.00 0.00 C ATOM 406 CG LEU A 29 -2.501 1.831 -2.703 1.00 0.00 C ATOM 407 CD1 LEU A 29 -1.535 1.181 -3.703 1.00 0.00 C ATOM 408 CD2 LEU A 29 -1.804 2.005 -1.334 1.00 0.00 C ATOM 0 H LEU A 29 -4.140 5.333 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.700 3.095 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.359 3.057 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.085 3.850 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.375 1.196 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.209 0.215 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.041 1.039 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.668 1.827 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.496 1.030 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.928 2.643 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.496 2.465 -0.629 1.00 0.00 H new ATOM 420 N THR A 30 -3.750 4.115 0.053 1.00 0.00 N ATOM 421 CA THR A 30 -3.182 4.699 1.315 1.00 0.00 C ATOM 422 C THR A 30 -2.322 3.642 2.026 1.00 0.00 C ATOM 423 O THR A 30 -2.469 2.456 1.810 1.00 0.00 O ATOM 424 CB THR A 30 -4.348 5.139 2.218 1.00 0.00 C ATOM 425 OG1 THR A 30 -5.347 4.132 2.216 1.00 0.00 O ATOM 426 CG2 THR A 30 -4.957 6.437 1.682 1.00 0.00 C ATOM 0 H THR A 30 -4.460 3.398 0.204 1.00 0.00 H new ATOM 0 HA THR A 30 -2.554 5.560 1.087 1.00 0.00 H new ATOM 0 HB THR A 30 -3.976 5.298 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.924 3.252 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.782 6.744 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.196 7.218 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.327 6.274 0.670 1.00 0.00 H new ATOM 434 N ARG A 31 -1.411 4.073 2.857 1.00 0.00 N ATOM 435 CA ARG A 31 -0.512 3.115 3.570 1.00 0.00 C ATOM 436 C ARG A 31 -1.302 2.243 4.565 1.00 0.00 C ATOM 437 O ARG A 31 -0.891 1.152 4.911 1.00 0.00 O ATOM 438 CB ARG A 31 0.546 3.915 4.344 1.00 0.00 C ATOM 439 CG ARG A 31 1.631 2.971 4.872 1.00 0.00 C ATOM 440 CD ARG A 31 2.695 3.780 5.616 1.00 0.00 C ATOM 441 NE ARG A 31 3.311 4.767 4.678 1.00 0.00 N ATOM 442 CZ ARG A 31 4.039 5.753 5.136 1.00 0.00 C ATOM 443 NH1 ARG A 31 4.235 5.883 6.421 1.00 0.00 N ATOM 444 NH2 ARG A 31 4.571 6.608 4.306 1.00 0.00 N ATOM 0 H ARG A 31 -1.249 5.056 3.075 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.046 2.462 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.992 4.668 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.078 4.446 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.190 2.230 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.086 2.425 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.247 4.298 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.460 3.115 6.016 1.00 0.00 H new ATOM 0 HE ARG A 31 3.163 4.671 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.820 5.215 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.803 6.653 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.419 6.507 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.139 7.377 4.661 1.00 0.00 H new ATOM 458 N GLU A 32 -2.404 2.737 5.062 1.00 0.00 N ATOM 459 CA GLU A 32 -3.193 1.971 6.077 1.00 0.00 C ATOM 460 C GLU A 32 -3.761 0.657 5.517 1.00 0.00 C ATOM 461 O GLU A 32 -4.156 -0.208 6.273 1.00 0.00 O ATOM 462 CB GLU A 32 -4.348 2.848 6.580 1.00 0.00 C ATOM 463 CG GLU A 32 -5.326 3.144 5.433 1.00 0.00 C ATOM 464 CD GLU A 32 -6.321 4.224 5.868 1.00 0.00 C ATOM 465 OE1 GLU A 32 -6.719 4.206 7.021 1.00 0.00 O ATOM 466 OE2 GLU A 32 -6.667 5.051 5.040 1.00 0.00 O ATOM 0 H GLU A 32 -2.796 3.644 4.808 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.516 1.711 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.871 2.343 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.956 3.782 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.778 3.475 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.860 2.236 5.154 1.00 0.00 H new ATOM 473 N ASP A 33 -3.824 0.485 4.218 1.00 0.00 N ATOM 474 CA ASP A 33 -4.388 -0.785 3.655 1.00 0.00 C ATOM 475 C ASP A 33 -3.261 -1.803 3.464 1.00 0.00 C ATOM 476 O ASP A 33 -3.264 -2.848 4.084 1.00 0.00 O ATOM 477 CB ASP A 33 -5.035 -0.488 2.301 1.00 0.00 C ATOM 478 CG ASP A 33 -6.046 0.648 2.459 1.00 0.00 C ATOM 479 OD1 ASP A 33 -6.812 0.606 3.407 1.00 0.00 O ATOM 480 OD2 ASP A 33 -6.037 1.542 1.628 1.00 0.00 O ATOM 0 H ASP A 33 -3.511 1.165 3.525 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.132 -1.191 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.272 -0.212 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.531 -1.380 1.919 1.00 0.00 H new ATOM 485 N VAL A 34 -2.290 -1.514 2.607 1.00 0.00 N ATOM 486 CA VAL A 34 -1.161 -2.475 2.386 1.00 0.00 C ATOM 487 C VAL A 34 -0.664 -3.020 3.737 1.00 0.00 C ATOM 488 O VAL A 34 -0.190 -4.135 3.835 1.00 0.00 O ATOM 489 CB VAL A 34 -0.023 -1.743 1.656 1.00 0.00 C ATOM 490 CG1 VAL A 34 0.964 -2.765 1.072 1.00 0.00 C ATOM 491 CG2 VAL A 34 -0.622 -0.891 0.523 1.00 0.00 C ATOM 0 H VAL A 34 -2.239 -0.656 2.058 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.502 -3.315 1.780 1.00 0.00 H new ATOM 0 HB VAL A 34 0.509 -1.100 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.768 -2.240 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.383 -3.368 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.443 -3.413 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.178 -0.368 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.152 -1.537 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.317 -0.164 0.943 1.00 0.00 H new ATOM 501 N GLU A 35 -0.800 -2.241 4.787 1.00 0.00 N ATOM 502 CA GLU A 35 -0.372 -2.704 6.138 1.00 0.00 C ATOM 503 C GLU A 35 -1.505 -3.543 6.755 1.00 0.00 C ATOM 504 O GLU A 35 -1.259 -4.624 7.252 1.00 0.00 O ATOM 505 CB GLU A 35 -0.084 -1.490 7.024 1.00 0.00 C ATOM 506 CG GLU A 35 1.146 -0.747 6.492 1.00 0.00 C ATOM 507 CD GLU A 35 1.508 0.391 7.446 1.00 0.00 C ATOM 508 OE1 GLU A 35 0.597 1.045 7.930 1.00 0.00 O ATOM 509 OE2 GLU A 35 2.688 0.592 7.678 1.00 0.00 O ATOM 0 H GLU A 35 -1.192 -1.300 4.760 1.00 0.00 H new ATOM 0 HA GLU A 35 0.532 -3.308 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.947 -0.824 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.088 -1.810 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.986 -1.435 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.942 -0.351 5.497 1.00 0.00 H new ATOM 516 N LYS A 36 -2.756 -3.071 6.728 1.00 0.00 N ATOM 517 CA LYS A 36 -3.879 -3.884 7.312 1.00 0.00 C ATOM 518 C LYS A 36 -3.759 -5.340 6.831 1.00 0.00 C ATOM 519 O LYS A 36 -4.012 -6.274 7.564 1.00 0.00 O ATOM 520 CB LYS A 36 -5.228 -3.295 6.857 1.00 0.00 C ATOM 521 CG LYS A 36 -6.412 -3.949 7.622 1.00 0.00 C ATOM 522 CD LYS A 36 -6.635 -3.262 8.981 1.00 0.00 C ATOM 523 CE LYS A 36 -7.866 -3.867 9.660 1.00 0.00 C ATOM 524 NZ LYS A 36 -9.055 -3.706 8.775 1.00 0.00 N ATOM 0 H LYS A 36 -3.031 -2.172 6.331 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.823 -3.858 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.233 -2.218 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.353 -3.451 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.320 -3.881 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.210 -5.009 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.757 -3.390 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.773 -2.190 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.696 -4.923 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.044 -3.377 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.881 -3.440 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.867 -2.962 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.248 -4.603 8.286 1.00 0.00 H new ATOM 538 N HIS A 37 -3.329 -5.527 5.612 1.00 0.00 N ATOM 539 CA HIS A 37 -3.139 -6.901 5.087 1.00 0.00 C ATOM 540 C HIS A 37 -1.965 -7.503 5.851 1.00 0.00 C ATOM 541 O HIS A 37 -2.121 -8.402 6.653 1.00 0.00 O ATOM 542 CB HIS A 37 -2.813 -6.831 3.588 1.00 0.00 C ATOM 543 CG HIS A 37 -2.612 -8.218 3.045 1.00 0.00 C ATOM 544 ND1 HIS A 37 -2.831 -9.352 3.811 1.00 0.00 N ATOM 545 CD2 HIS A 37 -2.210 -8.670 1.811 1.00 0.00 C ATOM 546 CE1 HIS A 37 -2.564 -10.421 3.038 1.00 0.00 C ATOM 547 NE2 HIS A 37 -2.181 -10.062 1.810 1.00 0.00 N ATOM 0 H HIS A 37 -3.101 -4.779 4.957 1.00 0.00 H new ATOM 0 HA HIS A 37 -4.036 -7.507 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.623 -6.335 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.914 -6.235 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.955 -8.041 0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.649 -11.445 3.371 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.923 -10.676 1.037 1.00 0.00 H new ATOM 555 N LEU A 38 -0.790 -6.980 5.630 1.00 0.00 N ATOM 556 CA LEU A 38 0.405 -7.488 6.372 1.00 0.00 C ATOM 557 C LEU A 38 0.247 -7.111 7.867 1.00 0.00 C ATOM 558 O LEU A 38 -0.580 -7.683 8.549 1.00 0.00 O ATOM 559 CB LEU A 38 1.673 -6.836 5.804 1.00 0.00 C ATOM 560 CG LEU A 38 1.849 -7.197 4.307 1.00 0.00 C ATOM 561 CD1 LEU A 38 2.795 -6.185 3.646 1.00 0.00 C ATOM 562 CD2 LEU A 38 2.441 -8.614 4.155 1.00 0.00 C ATOM 0 H LEU A 38 -0.603 -6.225 4.970 1.00 0.00 H new ATOM 0 HA LEU A 38 0.485 -8.570 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.614 -5.754 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.544 -7.169 6.369 1.00 0.00 H new ATOM 0 HG LEU A 38 0.872 -7.168 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.920 -6.438 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.374 -5.183 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.764 -6.214 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.557 -8.848 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.414 -8.656 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.771 -9.340 4.616 1.00 0.00 H new ATOM 574 N ALA A 39 1.008 -6.147 8.403 1.00 0.00 N ATOM 575 CA ALA A 39 0.832 -5.780 9.841 1.00 0.00 C ATOM 576 C ALA A 39 0.853 -7.037 10.718 1.00 0.00 C ATOM 577 O ALA A 39 -0.104 -7.345 11.401 1.00 0.00 O ATOM 578 CB ALA A 39 -0.504 -5.050 10.019 1.00 0.00 C ATOM 0 H ALA A 39 1.723 -5.620 7.902 1.00 0.00 H new ATOM 0 HA ALA A 39 1.651 -5.128 10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.635 -4.781 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.509 -4.146 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.320 -5.703 9.707 1.00 0.00 H new