USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 48 LYS NZ :NH3+ 161:sc= 0.262 (180deg=0.139) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -164:sc= 0.522 (180deg=0.149) USER MOD Set 2.1: A 10 TYR OH : rot -55:sc= 0.155 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -1.48 K(o=-1.3,f=-0.78) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 HIS : no HD1:sc= -0.815 K(o=-0.81,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.484 K(o=-0.48,f=0.12) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -69:sc= 1.8 USER MOD Single : A 39 TYR OH : rot 155:sc= 0.00252 USER MOD Single : A 42 THR OG1 : rot 0:sc= -1.62 USER MOD Single : A 43 TYR OH : rot -159:sc= 0.217 USER MOD Single : A 44 TYR OH : rot 62:sc= 0.312 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 63 TYR OH : rot 144:sc= -2.04! USER MOD Single : A 65 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.0211 USER MOD Single : A 76 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.99! K(o=-2!,f=-0.85) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00702) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.933 1.262 8.816 1.00 0.00 N ATOM 72 CA PRO A 6 -9.686 1.410 8.029 1.00 0.00 C ATOM 73 C PRO A 6 -8.397 1.102 8.819 1.00 0.00 C ATOM 74 O PRO A 6 -7.624 0.218 8.432 1.00 0.00 O ATOM 75 CB PRO A 6 -9.722 2.890 7.574 1.00 0.00 C ATOM 76 CG PRO A 6 -11.176 3.198 7.429 1.00 0.00 C ATOM 77 CD PRO A 6 -11.885 2.374 8.493 1.00 0.00 C ATOM 0 HA PRO A 6 -9.654 0.692 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.249 3.543 8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.190 3.030 6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.366 4.262 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.533 2.939 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.106 2.974 9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.835 1.987 8.125 1.00 0.00 H new ATOM 85 N PHE A 7 -8.195 1.819 9.936 1.00 0.00 N ATOM 86 CA PHE A 7 -6.988 1.680 10.768 1.00 0.00 C ATOM 87 C PHE A 7 -6.859 0.267 11.374 1.00 0.00 C ATOM 88 O PHE A 7 -5.743 -0.239 11.485 1.00 0.00 O ATOM 89 CB PHE A 7 -6.963 2.742 11.895 1.00 0.00 C ATOM 90 CG PHE A 7 -5.678 2.723 12.735 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.489 3.251 12.224 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.649 2.154 14.012 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.322 3.219 12.964 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.480 2.122 14.746 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.318 2.656 14.224 1.00 0.00 C ATOM 0 H PHE A 7 -8.860 2.508 10.287 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.134 1.841 10.109 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.082 3.731 11.452 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.818 2.582 12.552 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.482 3.690 11.237 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.552 1.734 14.429 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.413 3.635 12.556 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.474 1.678 15.731 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.406 2.633 14.802 1.00 0.00 H new ATOM 105 N THR A 8 -7.993 -0.343 11.781 1.00 0.00 N ATOM 106 CA THR A 8 -7.978 -1.653 12.463 1.00 0.00 C ATOM 107 C THR A 8 -7.372 -2.752 11.561 1.00 0.00 C ATOM 108 O THR A 8 -6.431 -3.426 11.974 1.00 0.00 O ATOM 109 CB THR A 8 -9.398 -2.086 12.945 1.00 0.00 C ATOM 110 OG1 THR A 8 -10.044 -0.984 13.595 1.00 0.00 O ATOM 111 CG2 THR A 8 -9.332 -3.277 13.930 1.00 0.00 C ATOM 0 H THR A 8 -8.925 0.049 11.650 1.00 0.00 H new ATOM 0 HA THR A 8 -7.347 -1.532 13.343 1.00 0.00 H new ATOM 0 HB THR A 8 -9.962 -2.397 12.066 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.936 -1.258 13.895 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.341 -3.548 14.242 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.863 -4.130 13.439 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.746 -2.994 14.804 1.00 0.00 H new ATOM 119 N ARG A 9 -7.892 -2.894 10.314 1.00 0.00 N ATOM 120 CA ARG A 9 -7.393 -3.917 9.356 1.00 0.00 C ATOM 121 C ARG A 9 -5.984 -3.547 8.849 1.00 0.00 C ATOM 122 O ARG A 9 -5.214 -4.429 8.492 1.00 0.00 O ATOM 123 CB ARG A 9 -8.353 -4.106 8.141 1.00 0.00 C ATOM 124 CG ARG A 9 -8.406 -2.913 7.139 1.00 0.00 C ATOM 125 CD ARG A 9 -9.742 -2.165 7.111 1.00 0.00 C ATOM 126 NE ARG A 9 -10.802 -2.913 6.416 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.662 -2.383 5.540 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.561 -1.110 5.183 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.614 -3.131 5.011 1.00 0.00 N ATOM 0 H ARG A 9 -8.651 -2.318 9.950 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.349 -4.861 9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.052 -5.002 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.359 -4.286 8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.614 -2.208 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.192 -3.287 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.059 -1.960 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.603 -1.201 6.621 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.887 -3.909 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.823 -0.527 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.221 -0.714 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.694 -4.114 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.269 -2.725 4.343 1.00 0.00 H new ATOM 143 N TYR A 10 -5.684 -2.235 8.818 1.00 0.00 N ATOM 144 CA TYR A 10 -4.374 -1.697 8.396 1.00 0.00 C ATOM 145 C TYR A 10 -3.261 -2.156 9.350 1.00 0.00 C ATOM 146 O TYR A 10 -2.256 -2.739 8.926 1.00 0.00 O ATOM 147 CB TYR A 10 -4.461 -0.142 8.334 1.00 0.00 C ATOM 148 CG TYR A 10 -3.124 0.596 8.145 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.422 0.534 6.935 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.561 1.345 9.185 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.220 1.190 6.777 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.360 1.997 9.024 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.696 1.917 7.825 1.00 0.00 C ATOM 154 OH TYR A 10 0.508 2.556 7.672 1.00 0.00 O ATOM 0 H TYR A 10 -6.350 -1.511 9.087 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.125 -2.079 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.126 0.134 7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.924 0.214 9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.829 -0.036 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.078 1.412 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.691 1.135 5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.941 2.570 9.838 1.00 0.00 H new ATOM 0 HH TYR A 10 1.188 1.909 7.389 1.00 0.00 H new ATOM 164 N ALA A 11 -3.482 -1.898 10.641 1.00 0.00 N ATOM 165 CA ALA A 11 -2.544 -2.231 11.715 1.00 0.00 C ATOM 166 C ALA A 11 -2.478 -3.750 11.916 1.00 0.00 C ATOM 167 O ALA A 11 -1.405 -4.297 12.160 1.00 0.00 O ATOM 168 CB ALA A 11 -2.958 -1.503 13.003 1.00 0.00 C ATOM 0 H ALA A 11 -4.332 -1.444 10.975 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.543 -1.897 11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.259 -1.751 13.802 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.946 -0.427 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.963 -1.814 13.290 1.00 0.00 H new ATOM 174 N LEU A 12 -3.644 -4.416 11.768 1.00 0.00 N ATOM 175 CA LEU A 12 -3.772 -5.884 11.873 1.00 0.00 C ATOM 176 C LEU A 12 -3.009 -6.578 10.734 1.00 0.00 C ATOM 177 O LEU A 12 -2.444 -7.654 10.923 1.00 0.00 O ATOM 178 CB LEU A 12 -5.272 -6.286 11.857 1.00 0.00 C ATOM 179 CG LEU A 12 -5.605 -7.807 12.017 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.060 -8.378 13.344 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.127 -8.058 11.886 1.00 0.00 C ATOM 0 H LEU A 12 -4.528 -3.946 11.571 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.333 -6.209 12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.776 -5.744 12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.704 -5.942 10.917 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.103 -8.336 11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.313 -9.436 13.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.977 -8.261 13.373 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.506 -7.841 14.181 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.331 -9.122 12.001 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.656 -7.501 12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.467 -7.727 10.905 1.00 0.00 H new ATOM 193 N ALA A 13 -3.005 -5.932 9.554 1.00 0.00 N ATOM 194 CA ALA A 13 -2.251 -6.390 8.376 1.00 0.00 C ATOM 195 C ALA A 13 -0.743 -6.329 8.647 1.00 0.00 C ATOM 196 O ALA A 13 -0.017 -7.272 8.351 1.00 0.00 O ATOM 197 CB ALA A 13 -2.615 -5.565 7.137 1.00 0.00 C ATOM 0 H ALA A 13 -3.529 -5.072 9.391 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.523 -7.427 8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.044 -5.924 6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.681 -5.668 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.380 -4.516 7.316 1.00 0.00 H new ATOM 203 N GLN A 14 -0.297 -5.212 9.242 1.00 0.00 N ATOM 204 CA GLN A 14 1.115 -5.021 9.621 1.00 0.00 C ATOM 205 C GLN A 14 1.532 -6.009 10.738 1.00 0.00 C ATOM 206 O GLN A 14 2.699 -6.403 10.817 1.00 0.00 O ATOM 207 CB GLN A 14 1.363 -3.545 10.035 1.00 0.00 C ATOM 208 CG GLN A 14 1.032 -2.522 8.926 1.00 0.00 C ATOM 209 CD GLN A 14 1.424 -1.089 9.284 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.640 -0.341 9.864 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.646 -0.699 8.951 1.00 0.00 N ATOM 0 H GLN A 14 -0.898 -4.421 9.473 1.00 0.00 H new ATOM 0 HA GLN A 14 1.741 -5.238 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.762 -3.319 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.408 -3.429 10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.545 -2.813 8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.037 -2.557 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.274 -1.343 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.959 0.245 9.176 1.00 0.00 H new ATOM 220 N GLU A 15 0.557 -6.421 11.579 1.00 0.00 N ATOM 221 CA GLU A 15 0.761 -7.483 12.586 1.00 0.00 C ATOM 222 C GLU A 15 0.944 -8.846 11.897 1.00 0.00 C ATOM 223 O GLU A 15 1.775 -9.647 12.321 1.00 0.00 O ATOM 224 CB GLU A 15 -0.425 -7.550 13.586 1.00 0.00 C ATOM 225 CG GLU A 15 -0.559 -6.329 14.521 1.00 0.00 C ATOM 226 CD GLU A 15 -1.746 -6.438 15.491 1.00 0.00 C ATOM 227 OE1 GLU A 15 -1.581 -7.019 16.588 1.00 0.00 O ATOM 228 OE2 GLU A 15 -2.852 -5.958 15.161 1.00 0.00 O ATOM 0 H GLU A 15 -0.385 -6.030 11.578 1.00 0.00 H new ATOM 0 HA GLU A 15 1.664 -7.240 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.351 -7.660 13.022 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.316 -8.446 14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.361 -6.215 15.094 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.672 -5.428 13.918 1.00 0.00 H new ATOM 235 N HIS A 16 0.130 -9.111 10.852 1.00 0.00 N ATOM 236 CA HIS A 16 0.242 -10.330 10.027 1.00 0.00 C ATOM 237 C HIS A 16 1.629 -10.432 9.372 1.00 0.00 C ATOM 238 O HIS A 16 2.156 -11.521 9.230 1.00 0.00 O ATOM 239 CB HIS A 16 -0.875 -10.384 8.956 1.00 0.00 C ATOM 240 CG HIS A 16 -2.273 -10.456 9.518 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.571 -11.032 10.728 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.453 -10.016 9.025 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.861 -10.949 10.949 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.420 -10.329 9.939 1.00 0.00 N ATOM 0 H HIS A 16 -0.621 -8.486 10.559 1.00 0.00 H new ATOM 0 HA HIS A 16 0.118 -11.187 10.688 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.796 -9.501 8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.708 -11.251 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.604 -9.510 8.083 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.377 -11.328 11.819 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.413 -10.115 9.850 1.00 0.00 H new ATOM 253 N LEU A 17 2.213 -9.281 9.000 1.00 0.00 N ATOM 254 CA LEU A 17 3.584 -9.225 8.452 1.00 0.00 C ATOM 255 C LEU A 17 4.630 -9.633 9.514 1.00 0.00 C ATOM 256 O LEU A 17 5.640 -10.263 9.187 1.00 0.00 O ATOM 257 CB LEU A 17 3.878 -7.814 7.890 1.00 0.00 C ATOM 258 CG LEU A 17 3.008 -7.397 6.659 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.295 -5.950 6.227 1.00 0.00 C ATOM 260 CD2 LEU A 17 3.217 -8.362 5.471 1.00 0.00 C ATOM 0 H LEU A 17 1.757 -8.371 9.068 1.00 0.00 H new ATOM 0 HA LEU A 17 3.656 -9.943 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.728 -7.084 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.929 -7.764 7.606 1.00 0.00 H new ATOM 0 HG LEU A 17 1.965 -7.456 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.672 -5.696 5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.071 -5.273 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.346 -5.854 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.598 -8.045 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.266 -8.351 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.935 -9.372 5.769 1.00 0.00 H new ATOM 272 N LYS A 18 4.351 -9.286 10.784 1.00 0.00 N ATOM 273 CA LYS A 18 5.202 -9.665 11.934 1.00 0.00 C ATOM 274 C LYS A 18 5.073 -11.178 12.238 1.00 0.00 C ATOM 275 O LYS A 18 6.033 -11.811 12.681 1.00 0.00 O ATOM 276 CB LYS A 18 4.814 -8.815 13.178 1.00 0.00 C ATOM 277 CG LYS A 18 4.977 -7.291 12.972 1.00 0.00 C ATOM 278 CD LYS A 18 4.485 -6.437 14.174 1.00 0.00 C ATOM 279 CE LYS A 18 5.294 -6.686 15.460 1.00 0.00 C ATOM 280 NZ LYS A 18 4.912 -5.761 16.561 1.00 0.00 N ATOM 0 H LYS A 18 3.532 -8.736 11.045 1.00 0.00 H new ATOM 0 HA LYS A 18 6.244 -9.465 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.778 -9.027 13.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.428 -9.125 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.028 -7.070 12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.427 -6.994 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.546 -5.381 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.435 -6.658 14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.144 -7.715 15.786 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.356 -6.571 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.485 -5.969 17.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.079 -4.779 16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.905 -5.888 16.787 1.00 0.00 H new ATOM 294 N HIS A 19 3.867 -11.739 12.000 1.00 0.00 N ATOM 295 CA HIS A 19 3.588 -13.191 12.164 1.00 0.00 C ATOM 296 C HIS A 19 3.786 -13.982 10.846 1.00 0.00 C ATOM 297 O HIS A 19 3.453 -15.172 10.796 1.00 0.00 O ATOM 298 CB HIS A 19 2.147 -13.402 12.707 1.00 0.00 C ATOM 299 CG HIS A 19 1.934 -12.963 14.134 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.896 -13.848 15.191 1.00 0.00 N ATOM 301 CD2 HIS A 19 1.740 -11.739 14.674 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.685 -13.187 16.310 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.585 -11.906 16.027 1.00 0.00 N ATOM 0 H HIS A 19 3.057 -11.202 11.689 1.00 0.00 H new ATOM 0 HA HIS A 19 4.308 -13.579 12.884 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.451 -12.859 12.068 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.896 -14.460 12.626 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.712 -10.801 14.139 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.607 -13.623 17.295 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.419 -11.160 16.702 1.00 0.00 H new ATOM 312 N ASP A 20 4.318 -13.309 9.797 1.00 0.00 N ATOM 313 CA ASP A 20 4.675 -13.922 8.483 1.00 0.00 C ATOM 314 C ASP A 20 3.448 -14.353 7.642 1.00 0.00 C ATOM 315 O ASP A 20 3.608 -14.985 6.587 1.00 0.00 O ATOM 316 CB ASP A 20 5.671 -15.109 8.653 1.00 0.00 C ATOM 317 CG ASP A 20 6.989 -14.687 9.312 1.00 0.00 C ATOM 318 OD1 ASP A 20 7.842 -14.087 8.624 1.00 0.00 O ATOM 319 OD2 ASP A 20 7.176 -14.938 10.525 1.00 0.00 O ATOM 0 H ASP A 20 4.516 -12.309 9.835 1.00 0.00 H new ATOM 0 HA ASP A 20 5.169 -13.129 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.202 -15.888 9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.881 -15.544 7.676 1.00 0.00 H new ATOM 324 N ASN A 21 2.243 -13.980 8.090 1.00 0.00 N ATOM 325 CA ASN A 21 0.981 -14.187 7.354 1.00 0.00 C ATOM 326 C ASN A 21 0.770 -13.037 6.338 1.00 0.00 C ATOM 327 O ASN A 21 -0.249 -12.328 6.367 1.00 0.00 O ATOM 328 CB ASN A 21 -0.204 -14.280 8.357 1.00 0.00 C ATOM 329 CG ASN A 21 -0.050 -15.417 9.372 1.00 0.00 C ATOM 330 OD1 ASN A 21 0.523 -15.227 10.443 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.546 -16.601 9.051 1.00 0.00 N ATOM 0 H ASN A 21 2.111 -13.517 8.989 1.00 0.00 H new ATOM 0 HA ASN A 21 1.030 -15.124 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.294 -13.334 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.131 -14.421 7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.458 -17.384 9.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.017 -16.731 8.156 1.00 0.00 H new ATOM 338 N ALA A 22 1.755 -12.886 5.426 1.00 0.00 N ATOM 339 CA ALA A 22 1.779 -11.822 4.402 1.00 0.00 C ATOM 340 C ALA A 22 0.569 -11.914 3.458 1.00 0.00 C ATOM 341 O ALA A 22 0.117 -10.900 2.950 1.00 0.00 O ATOM 342 CB ALA A 22 3.087 -11.872 3.609 1.00 0.00 C ATOM 0 H ALA A 22 2.563 -13.506 5.381 1.00 0.00 H new ATOM 0 HA ALA A 22 1.718 -10.864 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.088 -11.081 2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.929 -11.730 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.177 -12.840 3.116 1.00 0.00 H new ATOM 348 N SER A 23 0.090 -13.151 3.227 1.00 0.00 N ATOM 349 CA SER A 23 -1.153 -13.433 2.486 1.00 0.00 C ATOM 350 C SER A 23 -2.370 -12.695 3.094 1.00 0.00 C ATOM 351 O SER A 23 -3.106 -12.003 2.383 1.00 0.00 O ATOM 352 CB SER A 23 -1.382 -14.960 2.477 1.00 0.00 C ATOM 353 OG SER A 23 -1.328 -15.492 3.796 1.00 0.00 O ATOM 0 H SER A 23 0.562 -13.994 3.554 1.00 0.00 H new ATOM 0 HA SER A 23 -1.048 -13.065 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.351 -15.183 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.626 -15.441 1.856 1.00 0.00 H new ATOM 0 HG SER A 23 -1.478 -16.460 3.765 1.00 0.00 H new ATOM 359 N ARG A 24 -2.550 -12.837 4.418 1.00 0.00 N ATOM 360 CA ARG A 24 -3.661 -12.212 5.161 1.00 0.00 C ATOM 361 C ARG A 24 -3.487 -10.683 5.248 1.00 0.00 C ATOM 362 O ARG A 24 -4.470 -9.938 5.266 1.00 0.00 O ATOM 363 CB ARG A 24 -3.768 -12.840 6.577 1.00 0.00 C ATOM 364 CG ARG A 24 -4.216 -14.318 6.590 1.00 0.00 C ATOM 365 CD ARG A 24 -5.626 -14.508 5.990 1.00 0.00 C ATOM 366 NE ARG A 24 -6.052 -15.923 6.011 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.988 -16.472 5.220 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.558 -15.781 4.242 1.00 0.00 N ATOM 369 NH2 ARG A 24 -7.334 -17.739 5.398 1.00 0.00 N ATOM 0 H ARG A 24 -1.927 -13.390 5.007 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.588 -12.403 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.798 -12.763 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.473 -12.255 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.500 -14.917 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.207 -14.689 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.342 -13.906 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.635 -14.142 4.963 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.595 -16.536 6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.288 -14.811 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.267 -16.219 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.890 -18.291 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.044 -18.162 4.801 1.00 0.00 H new ATOM 383 N ALA A 25 -2.223 -10.239 5.311 1.00 0.00 N ATOM 384 CA ALA A 25 -1.867 -8.811 5.292 1.00 0.00 C ATOM 385 C ALA A 25 -2.224 -8.181 3.942 1.00 0.00 C ATOM 386 O ALA A 25 -2.785 -7.088 3.886 1.00 0.00 O ATOM 387 CB ALA A 25 -0.375 -8.648 5.572 1.00 0.00 C ATOM 0 H ALA A 25 -1.417 -10.860 5.377 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.436 -8.299 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.116 -7.589 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.141 -9.065 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.198 -9.173 4.808 1.00 0.00 H new ATOM 393 N LEU A 26 -1.931 -8.938 2.872 1.00 0.00 N ATOM 394 CA LEU A 26 -2.126 -8.515 1.478 1.00 0.00 C ATOM 395 C LEU A 26 -3.621 -8.312 1.207 1.00 0.00 C ATOM 396 O LEU A 26 -4.024 -7.333 0.587 1.00 0.00 O ATOM 397 CB LEU A 26 -1.536 -9.582 0.518 1.00 0.00 C ATOM 398 CG LEU A 26 -1.407 -9.169 -0.977 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.354 -8.055 -1.164 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.091 -10.393 -1.872 1.00 0.00 C ATOM 0 H LEU A 26 -1.545 -9.878 2.955 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.608 -7.571 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.547 -9.861 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.159 -10.474 0.574 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.371 -8.768 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.288 -7.790 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.646 -7.178 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.617 -8.410 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.007 -10.072 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.151 -10.843 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.893 -11.126 -1.782 1.00 0.00 H new ATOM 412 N ALA A 27 -4.412 -9.277 1.708 1.00 0.00 N ATOM 413 CA ALA A 27 -5.878 -9.253 1.657 1.00 0.00 C ATOM 414 C ALA A 27 -6.465 -8.012 2.355 1.00 0.00 C ATOM 415 O ALA A 27 -7.337 -7.361 1.789 1.00 0.00 O ATOM 416 CB ALA A 27 -6.428 -10.547 2.273 1.00 0.00 C ATOM 0 H ALA A 27 -4.040 -10.109 2.167 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.183 -9.190 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.517 -10.533 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.057 -11.404 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.100 -10.624 3.310 1.00 0.00 H new ATOM 422 N LEU A 28 -5.965 -7.687 3.571 1.00 0.00 N ATOM 423 CA LEU A 28 -6.462 -6.533 4.365 1.00 0.00 C ATOM 424 C LEU A 28 -6.067 -5.184 3.732 1.00 0.00 C ATOM 425 O LEU A 28 -6.824 -4.213 3.834 1.00 0.00 O ATOM 426 CB LEU A 28 -5.964 -6.597 5.835 1.00 0.00 C ATOM 427 CG LEU A 28 -6.557 -7.740 6.725 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.948 -7.715 8.141 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.102 -7.662 6.797 1.00 0.00 C ATOM 0 H LEU A 28 -5.216 -8.208 4.026 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.550 -6.602 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.879 -6.702 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.187 -5.643 6.312 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.291 -8.686 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.379 -8.520 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.868 -7.850 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.166 -6.757 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.478 -8.471 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.398 -6.704 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.518 -7.756 5.794 1.00 0.00 H new ATOM 441 N PHE A 29 -4.885 -5.128 3.089 1.00 0.00 N ATOM 442 CA PHE A 29 -4.413 -3.916 2.390 1.00 0.00 C ATOM 443 C PHE A 29 -5.205 -3.700 1.074 1.00 0.00 C ATOM 444 O PHE A 29 -5.496 -2.568 0.694 1.00 0.00 O ATOM 445 CB PHE A 29 -2.889 -3.988 2.102 1.00 0.00 C ATOM 446 CG PHE A 29 -1.951 -3.828 3.309 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.155 -2.814 4.251 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.849 -4.674 3.488 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.293 -2.658 5.326 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.009 -4.512 4.560 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.212 -3.508 5.479 1.00 0.00 C ATOM 0 H PHE A 29 -4.236 -5.913 3.039 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.590 -3.064 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.677 -4.948 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.643 -3.214 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.995 -2.144 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.667 -5.466 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.466 -1.871 6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.855 -5.174 4.678 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.458 -3.385 6.317 1.00 0.00 H new ATOM 461 N GLU A 30 -5.527 -4.799 0.374 1.00 0.00 N ATOM 462 CA GLU A 30 -6.415 -4.768 -0.813 1.00 0.00 C ATOM 463 C GLU A 30 -7.870 -4.477 -0.415 1.00 0.00 C ATOM 464 O GLU A 30 -8.614 -3.863 -1.188 1.00 0.00 O ATOM 465 CB GLU A 30 -6.328 -6.098 -1.598 1.00 0.00 C ATOM 466 CG GLU A 30 -5.020 -6.274 -2.388 1.00 0.00 C ATOM 467 CD GLU A 30 -4.970 -7.582 -3.179 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.718 -7.718 -4.168 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.180 -8.480 -2.830 1.00 0.00 O ATOM 0 H GLU A 30 -5.185 -5.731 0.608 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.073 -3.959 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.433 -6.928 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.169 -6.155 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.901 -5.436 -3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.178 -6.241 -1.697 1.00 0.00 H new ATOM 476 N GLU A 31 -8.257 -4.911 0.796 1.00 0.00 N ATOM 477 CA GLU A 31 -9.595 -4.658 1.349 1.00 0.00 C ATOM 478 C GLU A 31 -9.726 -3.163 1.670 1.00 0.00 C ATOM 479 O GLU A 31 -10.788 -2.568 1.501 1.00 0.00 O ATOM 480 CB GLU A 31 -9.824 -5.521 2.611 1.00 0.00 C ATOM 481 CG GLU A 31 -11.250 -5.481 3.178 1.00 0.00 C ATOM 482 CD GLU A 31 -11.377 -6.288 4.474 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.948 -5.780 5.531 1.00 0.00 O ATOM 484 OE2 GLU A 31 -11.880 -7.435 4.436 1.00 0.00 O ATOM 0 H GLU A 31 -7.651 -5.446 1.417 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.356 -4.932 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.572 -6.555 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.132 -5.193 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.536 -4.446 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.946 -5.874 2.437 1.00 0.00 H new ATOM 491 N LEU A 32 -8.598 -2.581 2.102 1.00 0.00 N ATOM 492 CA LEU A 32 -8.449 -1.146 2.299 1.00 0.00 C ATOM 493 C LEU A 32 -8.639 -0.369 0.983 1.00 0.00 C ATOM 494 O LEU A 32 -9.317 0.625 0.994 1.00 0.00 O ATOM 495 CB LEU A 32 -7.062 -0.831 2.908 1.00 0.00 C ATOM 496 CG LEU A 32 -6.923 -0.952 4.445 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.440 -0.937 4.871 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.709 0.174 5.149 1.00 0.00 C ATOM 0 H LEU A 32 -7.755 -3.109 2.326 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.227 -0.824 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.332 -1.497 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.790 0.185 2.623 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.347 -1.909 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.372 -1.023 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.920 -1.775 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.979 -0.002 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.600 0.073 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.319 1.142 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.764 0.103 4.882 1.00 0.00 H new ATOM 510 N VAL A 33 -8.023 -0.819 -0.135 1.00 0.00 N ATOM 511 CA VAL A 33 -8.143 -0.117 -1.450 1.00 0.00 C ATOM 512 C VAL A 33 -9.616 -0.061 -1.916 1.00 0.00 C ATOM 513 O VAL A 33 -10.141 1.015 -2.218 1.00 0.00 O ATOM 514 CB VAL A 33 -7.263 -0.790 -2.588 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.452 -0.095 -3.962 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.774 -0.804 -2.214 1.00 0.00 C ATOM 0 H VAL A 33 -7.441 -1.656 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.768 0.893 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.613 -1.818 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.831 -0.590 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.498 -0.159 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.160 0.952 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.202 -1.272 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.426 0.219 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.636 -1.369 -1.292 1.00 0.00 H new ATOM 526 N GLU A 34 -10.253 -1.243 -1.962 1.00 0.00 N ATOM 527 CA GLU A 34 -11.614 -1.408 -2.513 1.00 0.00 C ATOM 528 C GLU A 34 -12.695 -0.651 -1.700 1.00 0.00 C ATOM 529 O GLU A 34 -13.643 -0.123 -2.290 1.00 0.00 O ATOM 530 CB GLU A 34 -11.969 -2.913 -2.620 1.00 0.00 C ATOM 531 CG GLU A 34 -12.021 -3.650 -1.274 1.00 0.00 C ATOM 532 CD GLU A 34 -12.410 -5.122 -1.401 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.594 -5.400 -1.688 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.543 -6.002 -1.222 1.00 0.00 O ATOM 0 H GLU A 34 -9.842 -2.111 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.608 -0.963 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.937 -3.011 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.235 -3.402 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.046 -3.580 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.735 -3.148 -0.621 1.00 0.00 H new ATOM 541 N THR A 35 -12.583 -0.630 -0.351 1.00 0.00 N ATOM 542 CA THR A 35 -13.574 0.046 0.517 1.00 0.00 C ATOM 543 C THR A 35 -13.168 1.500 0.819 1.00 0.00 C ATOM 544 O THR A 35 -14.027 2.363 1.027 1.00 0.00 O ATOM 545 CB THR A 35 -13.763 -0.721 1.871 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.524 -0.768 2.596 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.273 -2.156 1.662 1.00 0.00 C ATOM 0 H THR A 35 -11.818 -1.073 0.158 1.00 0.00 H new ATOM 0 HA THR A 35 -14.516 0.048 -0.032 1.00 0.00 H new ATOM 0 HB THR A 35 -14.513 -0.172 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.892 -1.350 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.388 -2.646 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.236 -2.129 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.557 -2.712 1.056 1.00 0.00 H new ATOM 555 N ASP A 36 -11.851 1.753 0.851 1.00 0.00 N ATOM 556 CA ASP A 36 -11.262 3.062 1.239 1.00 0.00 C ATOM 557 C ASP A 36 -10.170 3.482 0.218 1.00 0.00 C ATOM 558 O ASP A 36 -8.968 3.376 0.507 1.00 0.00 O ATOM 559 CB ASP A 36 -10.661 2.990 2.680 1.00 0.00 C ATOM 560 CG ASP A 36 -11.707 2.746 3.774 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.433 3.701 4.138 1.00 0.00 O ATOM 562 OD2 ASP A 36 -11.833 1.601 4.262 1.00 0.00 O ATOM 0 H ASP A 36 -11.150 1.053 0.607 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.053 3.812 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.919 2.192 2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.137 3.922 2.892 1.00 0.00 H new ATOM 567 N PRO A 37 -10.564 3.964 -1.006 1.00 0.00 N ATOM 568 CA PRO A 37 -9.604 4.439 -2.036 1.00 0.00 C ATOM 569 C PRO A 37 -8.912 5.754 -1.622 1.00 0.00 C ATOM 570 O PRO A 37 -7.937 6.183 -2.242 1.00 0.00 O ATOM 571 CB PRO A 37 -10.483 4.639 -3.309 1.00 0.00 C ATOM 572 CG PRO A 37 -11.789 3.963 -2.988 1.00 0.00 C ATOM 573 CD PRO A 37 -11.956 4.093 -1.493 1.00 0.00 C ATOM 0 HA PRO A 37 -8.790 3.731 -2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.629 5.697 -3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.014 4.195 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.616 4.436 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.774 2.916 -3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.397 5.050 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.602 3.315 -1.087 1.00 0.00 H new ATOM 581 N ASP A 38 -9.475 6.378 -0.584 1.00 0.00 N ATOM 582 CA ASP A 38 -9.023 7.647 -0.017 1.00 0.00 C ATOM 583 C ASP A 38 -7.764 7.456 0.859 1.00 0.00 C ATOM 584 O ASP A 38 -6.899 8.341 0.918 1.00 0.00 O ATOM 585 CB ASP A 38 -10.198 8.200 0.832 1.00 0.00 C ATOM 586 CG ASP A 38 -10.045 9.665 1.247 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.469 10.541 0.475 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.550 9.945 2.359 1.00 0.00 O ATOM 0 H ASP A 38 -10.288 5.998 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.748 8.342 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.123 8.091 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.300 7.590 1.729 1.00 0.00 H new ATOM 593 N TYR A 39 -7.705 6.296 1.552 1.00 0.00 N ATOM 594 CA TYR A 39 -6.631 5.962 2.508 1.00 0.00 C ATOM 595 C TYR A 39 -5.289 5.787 1.754 1.00 0.00 C ATOM 596 O TYR A 39 -5.100 4.808 1.030 1.00 0.00 O ATOM 597 CB TYR A 39 -7.019 4.671 3.303 1.00 0.00 C ATOM 598 CG TYR A 39 -6.405 4.560 4.719 1.00 0.00 C ATOM 599 CD1 TYR A 39 -7.061 5.102 5.836 1.00 0.00 C ATOM 600 CD2 TYR A 39 -5.188 3.906 4.950 1.00 0.00 C ATOM 601 CE1 TYR A 39 -6.529 4.991 7.112 1.00 0.00 C ATOM 602 CE2 TYR A 39 -4.656 3.797 6.226 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.329 4.339 7.303 1.00 0.00 C ATOM 604 OH TYR A 39 -4.802 4.219 8.572 1.00 0.00 O ATOM 0 H TYR A 39 -8.407 5.562 1.461 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.506 6.775 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.105 4.630 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.713 3.801 2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.000 5.617 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.652 3.477 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.054 5.415 7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.715 3.288 6.377 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.216 3.434 8.610 1.00 0.00 H new ATOM 614 N VAL A 40 -4.387 6.767 1.918 1.00 0.00 N ATOM 615 CA VAL A 40 -3.105 6.832 1.184 1.00 0.00 C ATOM 616 C VAL A 40 -2.091 5.788 1.708 1.00 0.00 C ATOM 617 O VAL A 40 -1.342 5.182 0.919 1.00 0.00 O ATOM 618 CB VAL A 40 -2.483 8.269 1.298 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.191 8.400 0.463 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.511 9.352 0.900 1.00 0.00 C ATOM 0 H VAL A 40 -4.523 7.543 2.566 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.318 6.606 0.139 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.214 8.424 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.791 9.408 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.454 7.679 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.414 8.206 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.054 10.338 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.829 9.190 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.376 9.293 1.561 1.00 0.00 H new ATOM 630 N GLY A 41 -2.096 5.583 3.044 1.00 0.00 N ATOM 631 CA GLY A 41 -1.167 4.662 3.712 1.00 0.00 C ATOM 632 C GLY A 41 -1.368 3.218 3.281 1.00 0.00 C ATOM 633 O GLY A 41 -0.443 2.405 3.347 1.00 0.00 O ATOM 0 H GLY A 41 -2.742 6.051 3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.142 4.963 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.299 4.737 4.791 1.00 0.00 H new ATOM 637 N THR A 42 -2.596 2.915 2.830 1.00 0.00 N ATOM 638 CA THR A 42 -2.931 1.659 2.171 1.00 0.00 C ATOM 639 C THR A 42 -1.984 1.387 0.992 1.00 0.00 C ATOM 640 O THR A 42 -1.290 0.374 0.968 1.00 0.00 O ATOM 641 CB THR A 42 -4.393 1.720 1.642 1.00 0.00 C ATOM 642 OG1 THR A 42 -5.302 1.825 2.741 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.745 0.502 0.783 1.00 0.00 C ATOM 0 H THR A 42 -3.389 3.550 2.918 1.00 0.00 H new ATOM 0 HA THR A 42 -2.827 0.854 2.899 1.00 0.00 H new ATOM 0 HB THR A 42 -4.479 2.602 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.799 1.833 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.775 0.587 0.436 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.075 0.456 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.636 -0.406 1.377 1.00 0.00 H new ATOM 651 N TYR A 43 -1.953 2.349 0.053 1.00 0.00 N ATOM 652 CA TYR A 43 -1.255 2.214 -1.230 1.00 0.00 C ATOM 653 C TYR A 43 0.251 2.000 -1.058 1.00 0.00 C ATOM 654 O TYR A 43 0.848 1.199 -1.794 1.00 0.00 O ATOM 655 CB TYR A 43 -1.536 3.439 -2.127 1.00 0.00 C ATOM 656 CG TYR A 43 -3.008 3.542 -2.567 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.489 2.786 -3.642 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.914 4.387 -1.918 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.801 2.870 -4.048 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.226 4.467 -2.328 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.661 3.709 -3.393 1.00 0.00 C ATOM 662 OH TYR A 43 -6.960 3.800 -3.808 1.00 0.00 O ATOM 0 H TYR A 43 -2.418 3.250 0.168 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.646 1.320 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.260 4.346 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.902 3.387 -3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.816 2.122 -4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.580 4.985 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.150 2.276 -4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.913 5.123 -1.815 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.345 4.646 -3.496 1.00 0.00 H new ATOM 672 N TYR A 44 0.865 2.745 -0.119 1.00 0.00 N ATOM 673 CA TYR A 44 2.272 2.543 0.242 1.00 0.00 C ATOM 674 C TYR A 44 2.523 1.094 0.684 1.00 0.00 C ATOM 675 O TYR A 44 3.131 0.331 -0.051 1.00 0.00 O ATOM 676 CB TYR A 44 2.701 3.542 1.353 1.00 0.00 C ATOM 677 CG TYR A 44 4.203 3.485 1.687 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.151 3.949 0.780 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.676 2.947 2.893 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.498 3.889 1.063 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.026 2.885 3.175 1.00 0.00 C ATOM 682 CZ TYR A 44 6.933 3.358 2.256 1.00 0.00 C ATOM 683 OH TYR A 44 8.282 3.299 2.525 1.00 0.00 O ATOM 0 H TYR A 44 0.404 3.492 0.401 1.00 0.00 H new ATOM 0 HA TYR A 44 2.880 2.734 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.445 4.554 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.128 3.335 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.825 4.364 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.968 2.573 3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.215 4.260 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.367 2.468 4.111 1.00 0.00 H new ATOM 0 HH TYR A 44 8.652 4.206 2.543 1.00 0.00 H new ATOM 693 N HIS A 45 1.948 0.719 1.838 1.00 0.00 N ATOM 694 CA HIS A 45 2.257 -0.559 2.527 1.00 0.00 C ATOM 695 C HIS A 45 1.853 -1.802 1.691 1.00 0.00 C ATOM 696 O HIS A 45 2.549 -2.831 1.718 1.00 0.00 O ATOM 697 CB HIS A 45 1.618 -0.564 3.943 1.00 0.00 C ATOM 698 CG HIS A 45 2.195 0.492 4.873 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.121 0.218 5.852 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.001 1.828 4.935 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.461 1.330 6.461 1.00 0.00 C ATOM 702 NE2 HIS A 45 2.793 2.321 5.927 1.00 0.00 N ATOM 0 H HIS A 45 1.255 1.288 2.325 1.00 0.00 H new ATOM 0 HA HIS A 45 3.339 -0.629 2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.544 -0.406 3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.757 -1.547 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.335 2.403 4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.173 1.413 7.268 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.855 3.300 6.207 1.00 0.00 H new ATOM 711 N LEU A 46 0.766 -1.676 0.908 1.00 0.00 N ATOM 712 CA LEU A 46 0.316 -2.724 -0.035 1.00 0.00 C ATOM 713 C LEU A 46 1.346 -2.924 -1.156 1.00 0.00 C ATOM 714 O LEU A 46 1.704 -4.065 -1.490 1.00 0.00 O ATOM 715 CB LEU A 46 -1.058 -2.356 -0.661 1.00 0.00 C ATOM 716 CG LEU A 46 -1.614 -3.355 -1.736 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.818 -4.775 -1.172 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.914 -2.834 -2.371 1.00 0.00 C ATOM 0 H LEU A 46 0.173 -0.846 0.909 1.00 0.00 H new ATOM 0 HA LEU A 46 0.213 -3.651 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.790 -2.273 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.974 -1.370 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.854 -3.421 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.204 -5.426 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.865 -5.164 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.529 -4.740 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.270 -3.551 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.671 -2.705 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.724 -1.877 -2.856 1.00 0.00 H new ATOM 730 N GLY A 47 1.821 -1.799 -1.721 1.00 0.00 N ATOM 731 CA GLY A 47 2.751 -1.825 -2.839 1.00 0.00 C ATOM 732 C GLY A 47 4.125 -2.313 -2.425 1.00 0.00 C ATOM 733 O GLY A 47 4.788 -3.000 -3.198 1.00 0.00 O ATOM 0 H GLY A 47 1.568 -0.861 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.357 -2.472 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.835 -0.825 -3.264 1.00 0.00 H new ATOM 737 N LYS A 48 4.550 -1.949 -1.190 1.00 0.00 N ATOM 738 CA LYS A 48 5.846 -2.379 -0.627 1.00 0.00 C ATOM 739 C LYS A 48 5.873 -3.905 -0.485 1.00 0.00 C ATOM 740 O LYS A 48 6.903 -4.547 -0.716 1.00 0.00 O ATOM 741 CB LYS A 48 6.124 -1.730 0.759 1.00 0.00 C ATOM 742 CG LYS A 48 6.076 -0.184 0.806 1.00 0.00 C ATOM 743 CD LYS A 48 7.006 0.515 -0.214 1.00 0.00 C ATOM 744 CE LYS A 48 8.498 0.335 0.084 1.00 0.00 C ATOM 745 NZ LYS A 48 9.325 0.949 -0.986 1.00 0.00 N ATOM 0 H LYS A 48 4.007 -1.354 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 48 6.625 -2.051 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.397 -2.118 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.108 -2.054 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.051 0.141 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.345 0.146 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.795 0.126 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.775 1.580 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.740 0.791 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.732 -0.726 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.290 1.108 -0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.359 0.312 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.907 1.858 -1.270 1.00 0.00 H new ATOM 759 N LEU A 49 4.707 -4.464 -0.114 1.00 0.00 N ATOM 760 CA LEU A 49 4.530 -5.909 0.021 1.00 0.00 C ATOM 761 C LEU A 49 4.552 -6.575 -1.374 1.00 0.00 C ATOM 762 O LEU A 49 5.116 -7.656 -1.527 1.00 0.00 O ATOM 763 CB LEU A 49 3.223 -6.226 0.802 1.00 0.00 C ATOM 764 CG LEU A 49 2.956 -7.737 1.132 1.00 0.00 C ATOM 765 CD1 LEU A 49 4.178 -8.395 1.830 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.681 -7.896 1.997 1.00 0.00 C ATOM 0 H LEU A 49 3.868 -3.924 0.098 1.00 0.00 H new ATOM 0 HA LEU A 49 5.356 -6.324 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.242 -5.670 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.380 -5.848 0.224 1.00 0.00 H new ATOM 0 HG LEU A 49 2.798 -8.255 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.956 -9.441 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.047 -8.335 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.390 -7.872 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.517 -8.952 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.805 -7.350 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.822 -7.498 1.456 1.00 0.00 H new ATOM 778 N TYR A 50 3.977 -5.886 -2.389 1.00 0.00 N ATOM 779 CA TYR A 50 4.001 -6.345 -3.799 1.00 0.00 C ATOM 780 C TYR A 50 5.442 -6.452 -4.334 1.00 0.00 C ATOM 781 O TYR A 50 5.779 -7.435 -4.984 1.00 0.00 O ATOM 782 CB TYR A 50 3.153 -5.419 -4.723 1.00 0.00 C ATOM 783 CG TYR A 50 1.638 -5.676 -4.701 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.133 -6.981 -4.652 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.712 -4.629 -4.768 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.222 -7.226 -4.664 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.645 -4.880 -4.783 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.103 -6.178 -4.729 1.00 0.00 C ATOM 789 OH TYR A 50 -2.454 -6.429 -4.738 1.00 0.00 O ATOM 0 H TYR A 50 3.486 -5.002 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 50 3.554 -7.339 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.333 -4.383 -4.435 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.509 -5.532 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.820 -7.813 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.065 -3.609 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.589 -8.241 -4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.346 -4.060 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.944 -5.582 -4.786 1.00 0.00 H new ATOM 799 N GLU A 51 6.285 -5.446 -4.037 1.00 0.00 N ATOM 800 CA GLU A 51 7.715 -5.433 -4.449 1.00 0.00 C ATOM 801 C GLU A 51 8.454 -6.675 -3.905 1.00 0.00 C ATOM 802 O GLU A 51 9.311 -7.255 -4.578 1.00 0.00 O ATOM 803 CB GLU A 51 8.410 -4.142 -3.949 1.00 0.00 C ATOM 804 CG GLU A 51 7.783 -2.832 -4.471 1.00 0.00 C ATOM 805 CD GLU A 51 8.427 -1.554 -3.893 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.771 -1.529 -2.689 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.553 -0.549 -4.613 1.00 0.00 O ATOM 0 H GLU A 51 6.004 -4.620 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 51 7.754 -5.456 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.387 -4.131 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.458 -4.171 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.866 -2.809 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.719 -2.830 -4.233 1.00 0.00 H new ATOM 814 N ARG A 52 8.065 -7.081 -2.684 1.00 0.00 N ATOM 815 CA ARG A 52 8.631 -8.246 -1.980 1.00 0.00 C ATOM 816 C ARG A 52 8.106 -9.570 -2.563 1.00 0.00 C ATOM 817 O ARG A 52 8.830 -10.568 -2.601 1.00 0.00 O ATOM 818 CB ARG A 52 8.294 -8.131 -0.478 1.00 0.00 C ATOM 819 CG ARG A 52 8.915 -6.890 0.197 1.00 0.00 C ATOM 820 CD ARG A 52 8.484 -6.728 1.657 1.00 0.00 C ATOM 821 NE ARG A 52 8.928 -7.848 2.506 1.00 0.00 N ATOM 822 CZ ARG A 52 8.802 -7.899 3.838 1.00 0.00 C ATOM 823 NH1 ARG A 52 8.214 -6.908 4.503 1.00 0.00 N ATOM 824 NH2 ARG A 52 9.268 -8.946 4.503 1.00 0.00 N ATOM 0 H ARG A 52 7.339 -6.603 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 52 9.713 -8.251 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.211 -8.097 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.643 -9.027 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.002 -6.963 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.631 -5.998 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.889 -5.796 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.398 -6.649 1.705 1.00 0.00 H new ATOM 0 HE ARG A 52 9.365 -8.645 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.853 -6.098 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.124 -6.958 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.721 -9.709 4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.174 -8.989 5.518 1.00 0.00 H new ATOM 838 N LEU A 53 6.845 -9.556 -3.031 1.00 0.00 N ATOM 839 CA LEU A 53 6.193 -10.725 -3.668 1.00 0.00 C ATOM 840 C LEU A 53 6.516 -10.803 -5.178 1.00 0.00 C ATOM 841 O LEU A 53 5.891 -11.593 -5.903 1.00 0.00 O ATOM 842 CB LEU A 53 4.659 -10.637 -3.450 1.00 0.00 C ATOM 843 CG LEU A 53 4.180 -10.638 -1.964 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.664 -10.385 -1.867 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.573 -11.944 -1.235 1.00 0.00 C ATOM 0 H LEU A 53 6.244 -8.734 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 53 6.581 -11.632 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.295 -9.727 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.190 -11.476 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 53 4.691 -9.818 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.360 -10.391 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.428 -9.416 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.129 -11.168 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.222 -11.905 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.117 -12.795 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.657 -12.054 -1.245 1.00 0.00 H new ATOM 857 N ASP A 54 7.489 -9.974 -5.635 1.00 0.00 N ATOM 858 CA ASP A 54 7.928 -9.882 -7.056 1.00 0.00 C ATOM 859 C ASP A 54 6.770 -9.406 -7.992 1.00 0.00 C ATOM 860 O ASP A 54 6.852 -9.477 -9.218 1.00 0.00 O ATOM 861 CB ASP A 54 8.561 -11.244 -7.497 1.00 0.00 C ATOM 862 CG ASP A 54 9.276 -11.210 -8.858 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.312 -10.517 -8.977 1.00 0.00 O ATOM 864 OD2 ASP A 54 8.815 -11.884 -9.810 1.00 0.00 O ATOM 0 H ASP A 54 7.999 -9.341 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 54 8.698 -9.116 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.273 -11.561 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.776 -11.999 -7.533 1.00 0.00 H new ATOM 869 N ARG A 55 5.718 -8.856 -7.374 1.00 0.00 N ATOM 870 CA ARG A 55 4.545 -8.294 -8.061 1.00 0.00 C ATOM 871 C ARG A 55 4.793 -6.800 -8.334 1.00 0.00 C ATOM 872 O ARG A 55 4.028 -5.931 -7.897 1.00 0.00 O ATOM 873 CB ARG A 55 3.267 -8.499 -7.194 1.00 0.00 C ATOM 874 CG ARG A 55 2.913 -9.962 -6.852 1.00 0.00 C ATOM 875 CD ARG A 55 2.731 -10.846 -8.098 1.00 0.00 C ATOM 876 NE ARG A 55 1.759 -10.272 -9.053 1.00 0.00 N ATOM 877 CZ ARG A 55 0.727 -10.917 -9.608 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.440 -12.164 -9.271 1.00 0.00 N ATOM 879 NH2 ARG A 55 -0.046 -10.273 -10.480 1.00 0.00 N ATOM 0 H ARG A 55 5.656 -8.787 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 55 4.390 -8.807 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.391 -7.948 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.421 -8.053 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.700 -10.383 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.995 -9.980 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.693 -10.974 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.396 -11.837 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 55 1.887 -9.294 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.010 -12.649 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.351 -12.640 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.152 -9.301 -10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.837 -10.752 -10.911 1.00 0.00 H new ATOM 893 N THR A 56 5.883 -6.521 -9.060 1.00 0.00 N ATOM 894 CA THR A 56 6.342 -5.161 -9.344 1.00 0.00 C ATOM 895 C THR A 56 5.308 -4.392 -10.186 1.00 0.00 C ATOM 896 O THR A 56 5.062 -3.224 -9.924 1.00 0.00 O ATOM 897 CB THR A 56 7.724 -5.193 -10.060 1.00 0.00 C ATOM 898 OG1 THR A 56 8.653 -5.953 -9.264 1.00 0.00 O ATOM 899 CG2 THR A 56 8.295 -3.784 -10.311 1.00 0.00 C ATOM 0 H THR A 56 6.475 -7.243 -9.470 1.00 0.00 H new ATOM 0 HA THR A 56 6.456 -4.636 -8.396 1.00 0.00 H new ATOM 0 HB THR A 56 7.577 -5.660 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.524 -5.977 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.259 -3.866 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.606 -3.219 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.424 -3.269 -9.359 1.00 0.00 H new ATOM 907 N ASP A 57 4.666 -5.095 -11.143 1.00 0.00 N ATOM 908 CA ASP A 57 3.640 -4.505 -12.040 1.00 0.00 C ATOM 909 C ASP A 57 2.466 -3.950 -11.210 1.00 0.00 C ATOM 910 O ASP A 57 1.971 -2.840 -11.445 1.00 0.00 O ATOM 911 CB ASP A 57 3.125 -5.587 -13.037 1.00 0.00 C ATOM 912 CG ASP A 57 2.329 -5.004 -14.224 1.00 0.00 C ATOM 913 OD1 ASP A 57 1.105 -4.789 -14.101 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.929 -4.766 -15.293 1.00 0.00 O ATOM 0 H ASP A 57 4.841 -6.085 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 57 4.089 -3.687 -12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.976 -6.149 -13.422 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.493 -6.294 -12.499 1.00 0.00 H new ATOM 919 N ASP A 58 2.073 -4.751 -10.213 1.00 0.00 N ATOM 920 CA ASP A 58 0.988 -4.436 -9.278 1.00 0.00 C ATOM 921 C ASP A 58 1.382 -3.267 -8.372 1.00 0.00 C ATOM 922 O ASP A 58 0.554 -2.418 -8.068 1.00 0.00 O ATOM 923 CB ASP A 58 0.653 -5.688 -8.430 1.00 0.00 C ATOM 924 CG ASP A 58 0.260 -6.901 -9.287 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.147 -7.494 -9.938 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.932 -7.268 -9.323 1.00 0.00 O ATOM 0 H ASP A 58 2.510 -5.655 -10.030 1.00 0.00 H new ATOM 0 HA ASP A 58 0.105 -4.143 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.516 -5.947 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.164 -5.451 -7.748 1.00 0.00 H new ATOM 931 N ALA A 59 2.664 -3.255 -7.950 1.00 0.00 N ATOM 932 CA ALA A 59 3.232 -2.201 -7.095 1.00 0.00 C ATOM 933 C ALA A 59 3.112 -0.823 -7.771 1.00 0.00 C ATOM 934 O ALA A 59 2.538 0.095 -7.186 1.00 0.00 O ATOM 935 CB ALA A 59 4.696 -2.525 -6.745 1.00 0.00 C ATOM 0 H ALA A 59 3.335 -3.983 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 59 2.662 -2.164 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.102 -1.736 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.741 -3.476 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.283 -2.593 -7.661 1.00 0.00 H new ATOM 941 N ILE A 60 3.597 -0.720 -9.032 1.00 0.00 N ATOM 942 CA ILE A 60 3.628 0.553 -9.809 1.00 0.00 C ATOM 943 C ILE A 60 2.205 1.131 -9.951 1.00 0.00 C ATOM 944 O ILE A 60 1.993 2.344 -9.828 1.00 0.00 O ATOM 945 CB ILE A 60 4.243 0.358 -11.260 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.567 -0.465 -11.233 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.470 1.721 -11.962 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.656 0.077 -10.337 1.00 0.00 C ATOM 0 H ILE A 60 3.979 -1.515 -9.544 1.00 0.00 H new ATOM 0 HA ILE A 60 4.265 1.242 -9.254 1.00 0.00 H new ATOM 0 HB ILE A 60 3.512 -0.212 -11.834 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.335 -1.482 -10.918 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.955 -0.527 -12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.892 1.554 -12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.519 2.245 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.159 2.324 -11.371 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.530 -0.571 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.927 1.082 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.297 0.112 -9.308 1.00 0.00 H new ATOM 960 N ASP A 61 1.253 0.214 -10.201 1.00 0.00 N ATOM 961 CA ASP A 61 -0.182 0.516 -10.342 1.00 0.00 C ATOM 962 C ASP A 61 -0.746 1.108 -9.032 1.00 0.00 C ATOM 963 O ASP A 61 -1.406 2.155 -9.043 1.00 0.00 O ATOM 964 CB ASP A 61 -0.940 -0.790 -10.725 1.00 0.00 C ATOM 965 CG ASP A 61 -2.450 -0.587 -10.943 1.00 0.00 C ATOM 966 OD1 ASP A 61 -3.225 -0.693 -9.965 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.868 -0.299 -12.084 1.00 0.00 O ATOM 0 H ASP A 61 1.465 -0.778 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.320 1.259 -11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.502 -1.200 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.792 -1.530 -9.938 1.00 0.00 H new ATOM 972 N THR A 62 -0.465 0.415 -7.912 1.00 0.00 N ATOM 973 CA THR A 62 -0.929 0.797 -6.569 1.00 0.00 C ATOM 974 C THR A 62 -0.414 2.205 -6.180 1.00 0.00 C ATOM 975 O THR A 62 -1.167 3.031 -5.656 1.00 0.00 O ATOM 976 CB THR A 62 -0.467 -0.271 -5.514 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.898 -1.575 -5.929 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.030 -0.003 -4.115 1.00 0.00 C ATOM 0 H THR A 62 0.098 -0.436 -7.917 1.00 0.00 H new ATOM 0 HA THR A 62 -2.018 0.832 -6.581 1.00 0.00 H new ATOM 0 HB THR A 62 0.620 -0.210 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.279 -1.925 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.678 -0.772 -3.428 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.694 0.974 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.119 -0.020 -4.152 1.00 0.00 H new ATOM 986 N TYR A 63 0.869 2.462 -6.479 1.00 0.00 N ATOM 987 CA TYR A 63 1.509 3.756 -6.197 1.00 0.00 C ATOM 988 C TYR A 63 0.923 4.872 -7.071 1.00 0.00 C ATOM 989 O TYR A 63 0.754 5.976 -6.585 1.00 0.00 O ATOM 990 CB TYR A 63 3.033 3.689 -6.405 1.00 0.00 C ATOM 991 CG TYR A 63 3.760 2.682 -5.506 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.500 2.607 -4.135 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.723 1.821 -6.024 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.177 1.722 -3.330 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.388 0.932 -5.223 1.00 0.00 C ATOM 996 CZ TYR A 63 5.109 0.890 -3.882 1.00 0.00 C ATOM 997 OH TYR A 63 5.791 0.031 -3.083 1.00 0.00 O ATOM 0 H TYR A 63 1.489 1.783 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 63 1.307 3.984 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.233 3.436 -7.446 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.453 4.680 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.754 3.256 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.950 1.855 -7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.974 1.685 -2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.128 0.268 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 63 5.939 -0.812 -3.560 1.00 0.00 H new ATOM 1007 N ALA A 64 0.655 4.571 -8.363 1.00 0.00 N ATOM 1008 CA ALA A 64 0.050 5.525 -9.330 1.00 0.00 C ATOM 1009 C ALA A 64 -1.276 6.111 -8.797 1.00 0.00 C ATOM 1010 O ALA A 64 -1.466 7.337 -8.792 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.160 4.838 -10.693 1.00 0.00 C ATOM 0 H ALA A 64 0.852 3.656 -8.769 1.00 0.00 H new ATOM 0 HA ALA A 64 0.741 6.358 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.604 5.546 -11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.800 4.498 -11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.825 3.983 -10.571 1.00 0.00 H new ATOM 1017 N GLN A 65 -2.168 5.220 -8.322 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.461 5.612 -7.707 1.00 0.00 C ATOM 1019 C GLN A 65 -3.195 6.359 -6.380 1.00 0.00 C ATOM 1020 O GLN A 65 -3.867 7.350 -6.063 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.374 4.343 -7.474 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.823 4.413 -8.058 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.857 5.279 -7.291 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -8.033 4.935 -7.246 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.486 6.442 -6.784 1.00 0.00 N ATOM 0 H GLN A 65 -2.018 4.212 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.994 6.280 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.873 3.477 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.446 4.166 -6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.758 4.790 -9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.212 3.397 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.507 6.726 -6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.179 7.055 -6.354 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.197 5.863 -5.635 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.794 6.442 -4.357 1.00 0.00 C ATOM 1036 C GLY A 66 -1.353 7.892 -4.465 1.00 0.00 C ATOM 1037 O GLY A 66 -1.662 8.689 -3.595 1.00 0.00 O ATOM 0 H GLY A 66 -1.649 5.047 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.627 6.374 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.978 5.852 -3.940 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.621 8.215 -5.541 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.096 9.567 -5.821 1.00 0.00 C ATOM 1043 C ILE A 67 -1.236 10.598 -5.948 1.00 0.00 C ATOM 1044 O ILE A 67 -1.135 11.712 -5.411 1.00 0.00 O ATOM 1045 CB ILE A 67 0.792 9.531 -7.133 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.138 8.778 -6.853 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.060 10.943 -7.719 1.00 0.00 C ATOM 1048 CD1 ILE A 67 2.963 8.478 -8.091 1.00 0.00 C ATOM 0 H ILE A 67 -0.370 7.533 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 67 0.526 9.881 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 67 0.226 8.987 -7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.739 9.377 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.915 7.840 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.673 10.854 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.112 11.418 -7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.584 11.550 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.875 7.956 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.385 7.851 -8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.221 9.411 -8.591 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.322 10.192 -6.629 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.507 11.043 -6.853 1.00 0.00 C ATOM 1062 C GLU A 68 -4.132 11.466 -5.512 1.00 0.00 C ATOM 1063 O GLU A 68 -4.426 12.636 -5.287 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.564 10.286 -7.693 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.040 9.684 -9.013 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.125 8.957 -9.827 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.815 8.074 -9.263 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.273 9.234 -11.039 1.00 0.00 O ATOM 0 H GLU A 68 -2.404 9.263 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.185 11.933 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.981 9.483 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.381 10.970 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.612 10.480 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.234 8.985 -8.790 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.291 10.481 -4.618 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.906 10.685 -3.297 1.00 0.00 C ATOM 1077 C VAL A 69 -3.884 11.236 -2.272 1.00 0.00 C ATOM 1078 O VAL A 69 -4.279 11.754 -1.246 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.626 9.389 -2.765 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.766 8.956 -3.726 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.637 8.226 -2.533 1.00 0.00 C ATOM 0 H VAL A 69 -3.997 9.519 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.681 11.441 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.062 9.640 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.248 8.059 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.500 9.758 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.351 8.747 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.180 7.355 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.142 7.977 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.890 8.525 -1.797 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.573 11.090 -2.546 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.503 11.561 -1.633 1.00 0.00 C ATOM 1093 C ALA A 70 -1.388 13.092 -1.631 1.00 0.00 C ATOM 1094 O ALA A 70 -1.256 13.712 -0.581 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.162 10.933 -2.007 1.00 0.00 C ATOM 0 H ALA A 70 -2.224 10.648 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.775 11.246 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.610 11.291 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.235 9.848 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.098 11.211 -3.028 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.421 13.683 -2.829 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.340 15.151 -2.996 1.00 0.00 C ATOM 1103 C ARG A 71 -2.637 15.856 -2.557 1.00 0.00 C ATOM 1104 O ARG A 71 -2.600 17.035 -2.185 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.990 15.512 -4.466 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.953 14.923 -5.510 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.618 15.348 -6.948 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.398 14.581 -7.940 1.00 0.00 N ATOM 1109 CZ ARG A 71 -3.581 14.935 -8.457 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -4.221 16.025 -8.045 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.134 14.169 -9.386 1.00 0.00 N ATOM 0 H ARG A 71 -1.504 13.170 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.543 15.510 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.981 16.597 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.020 15.163 -4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.929 13.835 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.970 15.234 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.821 16.412 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.553 15.203 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.998 13.699 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.812 16.613 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.121 16.273 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.659 13.322 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.035 14.426 -9.789 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.783 15.143 -2.629 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.091 15.703 -2.236 1.00 0.00 C ATOM 1127 C GLU A 72 -5.401 15.461 -0.741 1.00 0.00 C ATOM 1128 O GLU A 72 -5.699 16.402 0.008 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.211 15.106 -3.131 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.002 15.316 -4.648 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.772 16.784 -5.043 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.732 17.577 -5.000 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.635 17.152 -5.411 1.00 0.00 O ATOM 0 H GLU A 72 -3.826 14.178 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.049 16.782 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.286 14.037 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.164 15.551 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.147 14.723 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.874 14.938 -5.182 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.325 14.190 -0.328 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.749 13.724 1.013 1.00 0.00 C ATOM 1142 C GLU A 73 -4.578 13.532 1.983 1.00 0.00 C ATOM 1143 O GLU A 73 -4.715 13.811 3.182 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.519 12.383 0.864 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.758 12.469 -0.043 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.786 13.497 0.462 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.411 13.256 1.517 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.981 14.550 -0.184 1.00 0.00 O ATOM 0 H GLU A 73 -4.964 13.441 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.387 14.500 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.841 11.629 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.828 12.042 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.447 12.736 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.229 11.488 -0.103 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.439 13.030 1.482 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.298 12.697 2.345 1.00 0.00 C ATOM 1157 C GLY A 74 -1.318 13.854 2.484 1.00 0.00 C ATOM 1158 O GLY A 74 -1.656 15.005 2.176 1.00 0.00 O ATOM 0 H GLY A 74 -3.285 12.847 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.663 12.413 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.778 11.831 1.936 1.00 0.00 H new ATOM 1162 N THR A 75 -0.106 13.557 2.972 1.00 0.00 N ATOM 1163 CA THR A 75 0.982 14.544 3.094 1.00 0.00 C ATOM 1164 C THR A 75 1.915 14.499 1.866 1.00 0.00 C ATOM 1165 O THR A 75 1.809 13.602 1.013 1.00 0.00 O ATOM 1166 CB THR A 75 1.812 14.301 4.396 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.335 12.961 4.411 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.975 14.536 5.664 1.00 0.00 C ATOM 0 H THR A 75 0.151 12.624 3.295 1.00 0.00 H new ATOM 0 HA THR A 75 0.523 15.531 3.147 1.00 0.00 H new ATOM 0 HB THR A 75 2.632 15.019 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.716 12.768 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.591 14.356 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.615 15.565 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.125 13.854 5.670 1.00 0.00 H new ATOM 1176 N GLN A 76 2.835 15.479 1.798 1.00 0.00 N ATOM 1177 CA GLN A 76 3.889 15.545 0.767 1.00 0.00 C ATOM 1178 C GLN A 76 4.904 14.402 0.973 1.00 0.00 C ATOM 1179 O GLN A 76 5.539 13.950 0.013 1.00 0.00 O ATOM 1180 CB GLN A 76 4.582 16.936 0.820 1.00 0.00 C ATOM 1181 CG GLN A 76 5.626 17.206 -0.290 1.00 0.00 C ATOM 1182 CD GLN A 76 5.050 17.160 -1.708 1.00 0.00 C ATOM 1183 OE1 GLN A 76 3.901 17.521 -1.940 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.846 16.715 -2.661 1.00 0.00 N ATOM 0 H GLN A 76 2.869 16.253 2.461 1.00 0.00 H new ATOM 0 HA GLN A 76 3.445 15.421 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.813 17.707 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.072 17.041 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.075 18.185 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.426 16.470 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.797 16.422 -2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.511 16.664 -3.623 1.00 0.00 H new ATOM 1193 N LYS A 77 5.030 13.950 2.243 1.00 0.00 N ATOM 1194 CA LYS A 77 5.841 12.788 2.621 1.00 0.00 C ATOM 1195 C LYS A 77 5.285 11.521 1.958 1.00 0.00 C ATOM 1196 O LYS A 77 6.034 10.786 1.320 1.00 0.00 O ATOM 1197 CB LYS A 77 5.857 12.608 4.161 1.00 0.00 C ATOM 1198 CG LYS A 77 6.535 11.300 4.653 1.00 0.00 C ATOM 1199 CD LYS A 77 6.326 11.056 6.163 1.00 0.00 C ATOM 1200 CE LYS A 77 6.819 9.673 6.624 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.576 9.440 8.067 1.00 0.00 N ATOM 0 H LYS A 77 4.564 14.392 3.035 1.00 0.00 H new ATOM 0 HA LYS A 77 6.862 12.957 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.372 13.459 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.830 12.629 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.135 10.455 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.603 11.346 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.850 11.828 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.266 11.154 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.316 8.899 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.886 9.583 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.925 8.496 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.076 10.162 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.556 9.498 8.261 1.00 0.00 H new ATOM 1215 N ASP A 78 3.957 11.296 2.114 1.00 0.00 N ATOM 1216 CA ASP A 78 3.260 10.122 1.534 1.00 0.00 C ATOM 1217 C ASP A 78 3.460 10.107 0.021 1.00 0.00 C ATOM 1218 O ASP A 78 3.807 9.080 -0.562 1.00 0.00 O ATOM 1219 CB ASP A 78 1.739 10.139 1.863 1.00 0.00 C ATOM 1220 CG ASP A 78 1.413 10.064 3.364 1.00 0.00 C ATOM 1221 OD1 ASP A 78 2.165 9.413 4.132 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.402 10.657 3.800 1.00 0.00 O ATOM 0 H ASP A 78 3.344 11.918 2.641 1.00 0.00 H new ATOM 0 HA ASP A 78 3.688 9.222 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.301 11.049 1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.261 9.300 1.357 1.00 0.00 H new ATOM 1227 N LEU A 79 3.266 11.291 -0.578 1.00 0.00 N ATOM 1228 CA LEU A 79 3.429 11.533 -2.011 1.00 0.00 C ATOM 1229 C LEU A 79 4.851 11.172 -2.482 1.00 0.00 C ATOM 1230 O LEU A 79 5.016 10.477 -3.485 1.00 0.00 O ATOM 1231 CB LEU A 79 3.101 13.025 -2.292 1.00 0.00 C ATOM 1232 CG LEU A 79 3.071 13.471 -3.783 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.056 12.642 -4.593 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.768 14.982 -3.891 1.00 0.00 C ATOM 0 H LEU A 79 2.984 12.125 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 79 2.746 10.895 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.129 13.247 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.835 13.638 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 79 4.057 13.290 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.058 12.977 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.331 11.588 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.060 12.774 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.751 15.276 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.798 15.192 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.541 15.546 -3.369 1.00 0.00 H new ATOM 1246 N SER A 80 5.859 11.622 -1.711 1.00 0.00 N ATOM 1247 CA SER A 80 7.287 11.415 -2.018 1.00 0.00 C ATOM 1248 C SER A 80 7.659 9.919 -1.941 1.00 0.00 C ATOM 1249 O SER A 80 8.415 9.420 -2.776 1.00 0.00 O ATOM 1250 CB SER A 80 8.156 12.247 -1.040 1.00 0.00 C ATOM 1251 OG SER A 80 9.542 12.151 -1.342 1.00 0.00 O ATOM 0 H SER A 80 5.703 12.145 -0.849 1.00 0.00 H new ATOM 0 HA SER A 80 7.478 11.750 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.848 13.292 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.983 11.904 -0.020 1.00 0.00 H new ATOM 0 HG SER A 80 10.054 12.690 -0.704 1.00 0.00 H new ATOM 1257 N GLU A 81 7.082 9.220 -0.945 1.00 0.00 N ATOM 1258 CA GLU A 81 7.326 7.788 -0.695 1.00 0.00 C ATOM 1259 C GLU A 81 6.785 6.912 -1.844 1.00 0.00 C ATOM 1260 O GLU A 81 7.442 5.952 -2.267 1.00 0.00 O ATOM 1261 CB GLU A 81 6.668 7.383 0.656 1.00 0.00 C ATOM 1262 CG GLU A 81 7.332 7.969 1.920 1.00 0.00 C ATOM 1263 CD GLU A 81 8.771 7.471 2.139 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.949 6.281 2.478 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.727 8.258 1.985 1.00 0.00 O ATOM 0 H GLU A 81 6.427 9.639 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 81 8.402 7.624 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.623 7.693 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.677 6.296 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.339 9.057 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.729 7.711 2.791 1.00 0.00 H new ATOM 1272 N LEU A 82 5.583 7.260 -2.328 1.00 0.00 N ATOM 1273 CA LEU A 82 4.889 6.527 -3.407 1.00 0.00 C ATOM 1274 C LEU A 82 5.605 6.698 -4.760 1.00 0.00 C ATOM 1275 O LEU A 82 5.806 5.713 -5.490 1.00 0.00 O ATOM 1276 CB LEU A 82 3.428 7.024 -3.497 1.00 0.00 C ATOM 1277 CG LEU A 82 2.550 6.727 -2.235 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.285 7.589 -2.216 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.183 5.234 -2.142 1.00 0.00 C ATOM 0 H LEU A 82 5.058 8.063 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 82 4.901 5.463 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.436 8.100 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.956 6.564 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 82 3.150 6.985 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.700 7.356 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.563 8.643 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.690 7.382 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.574 5.064 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.622 4.941 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.094 4.639 -2.076 1.00 0.00 H new ATOM 1291 N GLN A 83 5.989 7.957 -5.065 1.00 0.00 N ATOM 1292 CA GLN A 83 6.708 8.312 -6.306 1.00 0.00 C ATOM 1293 C GLN A 83 8.062 7.592 -6.373 1.00 0.00 C ATOM 1294 O GLN A 83 8.411 7.005 -7.403 1.00 0.00 O ATOM 1295 CB GLN A 83 6.916 9.851 -6.401 1.00 0.00 C ATOM 1296 CG GLN A 83 5.622 10.663 -6.585 1.00 0.00 C ATOM 1297 CD GLN A 83 5.855 12.175 -6.643 1.00 0.00 C ATOM 1298 OE1 GLN A 83 6.057 12.750 -7.711 1.00 0.00 O ATOM 1299 NE2 GLN A 83 5.858 12.823 -5.494 1.00 0.00 N ATOM 0 H GLN A 83 5.808 8.755 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 83 6.100 7.990 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.418 10.193 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.584 10.063 -7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.129 10.344 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.942 10.439 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.687 12.319 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.031 13.828 -5.476 1.00 0.00 H new ATOM 1308 N ASP A 84 8.795 7.629 -5.242 1.00 0.00 N ATOM 1309 CA ASP A 84 10.110 6.985 -5.092 1.00 0.00 C ATOM 1310 C ASP A 84 10.017 5.476 -5.316 1.00 0.00 C ATOM 1311 O ASP A 84 10.790 4.911 -6.092 1.00 0.00 O ATOM 1312 CB ASP A 84 10.677 7.266 -3.684 1.00 0.00 C ATOM 1313 CG ASP A 84 12.012 6.552 -3.382 1.00 0.00 C ATOM 1314 OD1 ASP A 84 13.069 7.029 -3.846 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.008 5.515 -2.676 1.00 0.00 O ATOM 0 H ASP A 84 8.485 8.113 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 84 10.777 7.403 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.820 8.341 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.940 6.962 -2.941 1.00 0.00 H new ATOM 1320 N ALA A 85 9.046 4.852 -4.632 1.00 0.00 N ATOM 1321 CA ALA A 85 8.905 3.397 -4.594 1.00 0.00 C ATOM 1322 C ALA A 85 8.644 2.812 -5.990 1.00 0.00 C ATOM 1323 O ALA A 85 9.250 1.806 -6.348 1.00 0.00 O ATOM 1324 CB ALA A 85 7.813 3.004 -3.596 1.00 0.00 C ATOM 0 H ALA A 85 8.338 5.347 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 85 9.848 2.969 -4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.714 1.919 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.081 3.365 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.865 3.448 -3.900 1.00 0.00 H new ATOM 1330 N LYS A 86 7.757 3.454 -6.776 1.00 0.00 N ATOM 1331 CA LYS A 86 7.439 2.982 -8.138 1.00 0.00 C ATOM 1332 C LYS A 86 8.626 3.158 -9.107 1.00 0.00 C ATOM 1333 O LYS A 86 8.913 2.241 -9.885 1.00 0.00 O ATOM 1334 CB LYS A 86 6.150 3.640 -8.710 1.00 0.00 C ATOM 1335 CG LYS A 86 6.158 5.175 -8.804 1.00 0.00 C ATOM 1336 CD LYS A 86 4.858 5.744 -9.424 1.00 0.00 C ATOM 1337 CE LYS A 86 4.610 5.252 -10.857 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.433 5.892 -11.493 1.00 0.00 N ATOM 0 H LYS A 86 7.252 4.294 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 86 7.244 1.914 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.972 3.236 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.306 3.339 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.294 5.595 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.011 5.494 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.011 5.464 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.908 6.833 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.495 5.450 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.467 4.171 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.285 5.485 -12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.589 5.726 -10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.598 6.915 -11.579 1.00 0.00 H new ATOM 1352 N LEU A 87 9.332 4.315 -9.052 1.00 0.00 N ATOM 1353 CA LEU A 87 10.430 4.593 -10.002 1.00 0.00 C ATOM 1354 C LEU A 87 11.610 3.631 -9.765 1.00 0.00 C ATOM 1355 O LEU A 87 12.216 3.160 -10.725 1.00 0.00 O ATOM 1356 CB LEU A 87 10.848 6.106 -10.012 1.00 0.00 C ATOM 1357 CG LEU A 87 11.400 6.773 -8.693 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.892 6.456 -8.433 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.175 8.303 -8.704 1.00 0.00 C ATOM 0 H LEU A 87 9.163 5.056 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 87 10.061 4.400 -11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.610 6.228 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.979 6.682 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 87 10.831 6.334 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.212 6.943 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.024 5.378 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.492 6.823 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.566 8.735 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.692 8.741 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.108 8.513 -8.780 1.00 0.00 H new ATOM 1371 N LYS A 88 11.910 3.327 -8.480 1.00 0.00 N ATOM 1372 CA LYS A 88 12.997 2.391 -8.114 1.00 0.00 C ATOM 1373 C LYS A 88 12.595 0.924 -8.363 1.00 0.00 C ATOM 1374 O LYS A 88 13.450 0.106 -8.699 1.00 0.00 O ATOM 1375 CB LYS A 88 13.488 2.644 -6.648 1.00 0.00 C ATOM 1376 CG LYS A 88 12.480 2.363 -5.498 1.00 0.00 C ATOM 1377 CD LYS A 88 12.501 0.912 -4.980 1.00 0.00 C ATOM 1378 CE LYS A 88 11.515 0.683 -3.824 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.522 -0.722 -3.346 1.00 0.00 N ATOM 0 H LYS A 88 11.413 3.718 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 88 13.845 2.588 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.373 2.030 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.803 3.685 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.696 3.036 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.474 2.598 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.259 0.234 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.509 0.663 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.768 1.347 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.509 0.948 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.674 -0.897 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.525 -1.366 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.372 -0.889 -2.770 1.00 0.00 H new ATOM 1393 N ALA A 89 11.298 0.592 -8.182 1.00 0.00 N ATOM 1394 CA ALA A 89 10.769 -0.767 -8.457 1.00 0.00 C ATOM 1395 C ALA A 89 10.924 -1.150 -9.943 1.00 0.00 C ATOM 1396 O ALA A 89 11.141 -2.323 -10.261 1.00 0.00 O ATOM 1397 CB ALA A 89 9.304 -0.874 -8.007 1.00 0.00 C ATOM 0 H ALA A 89 10.593 1.248 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 89 11.360 -1.478 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.932 -1.877 -8.216 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.237 -0.678 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.703 -0.144 -8.548 1.00 0.00 H new