USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.0948 X(o=-0.83,f=-0.62) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.732 X(o=-0.83,f=-0.62) USER MOD Set 2.1: A 43 TYR OH : rot -141:sc= -0.371 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.371 X(o=-0.74,f=-0.28) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.317 X(o=-0.55,f=-0.23) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.231 X(o=-0.55,f=-0.22) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 0.79 (180deg=0.658) USER MOD Single : A 19 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.048) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -26:sc= -0.207 USER MOD Single : A 42 THR OG1 : rot 94:sc= 0.555! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -0.215 (180deg=-1.4!) 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 77:sc= 1.03 USER MOD Single : A 63 TYR OH : rot -140:sc= -1.17 USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.0504 USER MOD Single : A 76 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.101) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0243) USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= 0.114 (180deg=0.0295) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.760 0.923 9.551 1.00 0.00 N ATOM 72 CA PRO A 6 -9.660 0.905 8.550 1.00 0.00 C ATOM 73 C PRO A 6 -8.259 0.806 9.174 1.00 0.00 C ATOM 74 O PRO A 6 -7.473 -0.064 8.799 1.00 0.00 O ATOM 75 CB PRO A 6 -9.836 2.242 7.780 1.00 0.00 C ATOM 76 CG PRO A 6 -11.285 2.561 7.929 1.00 0.00 C ATOM 77 CD PRO A 6 -11.671 2.075 9.311 1.00 0.00 C ATOM 0 HA PRO A 6 -9.724 0.022 7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.210 3.029 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.557 2.138 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.463 3.631 7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.876 2.064 7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.536 2.854 10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.717 1.772 9.351 1.00 0.00 H new ATOM 85 N PHE A 7 -7.977 1.691 10.147 1.00 0.00 N ATOM 86 CA PHE A 7 -6.671 1.744 10.832 1.00 0.00 C ATOM 87 C PHE A 7 -6.401 0.472 11.665 1.00 0.00 C ATOM 88 O PHE A 7 -5.245 0.038 11.779 1.00 0.00 O ATOM 89 CB PHE A 7 -6.590 3.014 11.720 1.00 0.00 C ATOM 90 CG PHE A 7 -5.277 3.162 12.495 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.089 3.456 11.825 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.230 3.008 13.884 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.899 3.583 12.512 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.036 3.137 14.570 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.874 3.430 13.884 1.00 0.00 C ATOM 0 H PHE A 7 -8.644 2.387 10.480 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.895 1.793 10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.727 3.893 11.089 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.417 2.999 12.430 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.101 3.586 10.753 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.136 2.786 14.427 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.987 3.802 11.976 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.012 3.009 15.642 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.944 3.540 14.422 1.00 0.00 H new ATOM 105 N THR A 8 -7.470 -0.123 12.229 1.00 0.00 N ATOM 106 CA THR A 8 -7.346 -1.321 13.077 1.00 0.00 C ATOM 107 C THR A 8 -6.891 -2.542 12.240 1.00 0.00 C ATOM 108 O THR A 8 -5.940 -3.228 12.623 1.00 0.00 O ATOM 109 CB THR A 8 -8.683 -1.627 13.839 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.081 -0.459 14.572 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.546 -2.811 14.821 1.00 0.00 C ATOM 0 H THR A 8 -8.428 0.207 12.112 1.00 0.00 H new ATOM 0 HA THR A 8 -6.582 -1.119 13.827 1.00 0.00 H new ATOM 0 HB THR A 8 -9.431 -1.900 13.094 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.917 -0.642 15.050 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.499 -2.980 15.322 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.260 -3.708 14.272 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.782 -2.581 15.564 1.00 0.00 H new ATOM 119 N ARG A 9 -7.560 -2.784 11.084 1.00 0.00 N ATOM 120 CA ARG A 9 -7.209 -3.900 10.162 1.00 0.00 C ATOM 121 C ARG A 9 -5.925 -3.594 9.365 1.00 0.00 C ATOM 122 O ARG A 9 -5.286 -4.508 8.862 1.00 0.00 O ATOM 123 CB ARG A 9 -8.383 -4.270 9.220 1.00 0.00 C ATOM 124 CG ARG A 9 -8.810 -3.166 8.231 1.00 0.00 C ATOM 125 CD ARG A 9 -10.269 -3.318 7.741 1.00 0.00 C ATOM 126 NE ARG A 9 -10.565 -4.655 7.163 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.444 -5.546 7.673 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.038 -5.331 8.830 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.708 -6.662 7.034 1.00 0.00 N ATOM 0 H ARG A 9 -8.348 -2.220 10.766 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.012 -4.773 10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.104 -5.157 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.245 -4.541 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.694 -2.194 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.141 -3.180 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.945 -3.134 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.473 -2.554 6.991 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.065 -4.921 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.837 -4.481 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.699 -6.015 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.248 -6.862 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.373 -7.329 7.426 1.00 0.00 H new ATOM 143 N TYR A 10 -5.617 -2.296 9.204 1.00 0.00 N ATOM 144 CA TYR A 10 -4.337 -1.816 8.628 1.00 0.00 C ATOM 145 C TYR A 10 -3.141 -2.282 9.478 1.00 0.00 C ATOM 146 O TYR A 10 -2.202 -2.909 8.970 1.00 0.00 O ATOM 147 CB TYR A 10 -4.367 -0.263 8.529 1.00 0.00 C ATOM 148 CG TYR A 10 -3.042 0.406 8.126 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.595 0.393 6.803 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.246 1.062 9.074 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.410 1.002 6.444 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.058 1.669 8.713 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.648 1.636 7.399 1.00 0.00 C ATOM 154 OH TYR A 10 0.530 2.244 7.034 1.00 0.00 O ATOM 0 H TYR A 10 -6.249 -1.541 9.470 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.217 -2.239 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.131 0.022 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.676 0.138 9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.187 -0.102 6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.566 1.094 10.105 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.081 0.981 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.454 2.167 9.458 1.00 0.00 H new ATOM 0 HH TYR A 10 0.949 2.647 7.823 1.00 0.00 H new ATOM 164 N ALA A 11 -3.215 -1.979 10.782 1.00 0.00 N ATOM 165 CA ALA A 11 -2.180 -2.348 11.763 1.00 0.00 C ATOM 166 C ALA A 11 -2.183 -3.872 12.003 1.00 0.00 C ATOM 167 O ALA A 11 -1.132 -4.468 12.247 1.00 0.00 O ATOM 168 CB ALA A 11 -2.407 -1.578 13.075 1.00 0.00 C ATOM 0 H ALA A 11 -3.998 -1.468 11.190 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.201 -2.076 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.639 -1.855 13.797 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.354 -0.507 12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.389 -1.826 13.477 1.00 0.00 H new ATOM 174 N LEU A 12 -3.386 -4.484 11.889 1.00 0.00 N ATOM 175 CA LEU A 12 -3.581 -5.946 12.010 1.00 0.00 C ATOM 176 C LEU A 12 -2.995 -6.672 10.786 1.00 0.00 C ATOM 177 O LEU A 12 -2.512 -7.791 10.907 1.00 0.00 O ATOM 178 CB LEU A 12 -5.085 -6.296 12.158 1.00 0.00 C ATOM 179 CG LEU A 12 -5.431 -7.812 12.304 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.881 -8.414 13.621 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.949 -8.051 12.148 1.00 0.00 C ATOM 0 H LEU A 12 -4.251 -3.974 11.710 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.057 -6.279 12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.474 -5.771 13.030 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.614 -5.906 11.288 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.929 -8.340 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.147 -9.470 13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.796 -8.311 13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.313 -7.885 14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.163 -9.115 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.486 -7.495 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.271 -7.713 11.163 1.00 0.00 H new ATOM 193 N ALA A 13 -3.059 -6.025 9.610 1.00 0.00 N ATOM 194 CA ALA A 13 -2.447 -6.543 8.372 1.00 0.00 C ATOM 195 C ALA A 13 -0.928 -6.606 8.542 1.00 0.00 C ATOM 196 O ALA A 13 -0.290 -7.587 8.164 1.00 0.00 O ATOM 197 CB ALA A 13 -2.828 -5.678 7.160 1.00 0.00 C ATOM 0 H ALA A 13 -3.535 -5.131 9.490 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.827 -7.547 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.362 -6.084 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.911 -5.678 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.481 -4.657 7.318 1.00 0.00 H new ATOM 203 N GLN A 14 -0.380 -5.563 9.174 1.00 0.00 N ATOM 204 CA GLN A 14 1.047 -5.490 9.500 1.00 0.00 C ATOM 205 C GLN A 14 1.438 -6.520 10.586 1.00 0.00 C ATOM 206 O GLN A 14 2.593 -6.968 10.630 1.00 0.00 O ATOM 207 CB GLN A 14 1.418 -4.050 9.908 1.00 0.00 C ATOM 208 CG GLN A 14 1.188 -3.010 8.793 1.00 0.00 C ATOM 209 CD GLN A 14 1.766 -1.640 9.132 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.085 -0.779 9.696 1.00 0.00 O ATOM 211 NE2 GLN A 14 3.044 -1.446 8.825 1.00 0.00 N ATOM 0 H GLN A 14 -0.913 -4.747 9.473 1.00 0.00 H new ATOM 0 HA GLN A 14 1.621 -5.751 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.832 -3.767 10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.466 -4.025 10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.639 -3.370 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.118 -2.912 8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.574 -2.182 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.495 -0.561 9.056 1.00 0.00 H new ATOM 220 N GLU A 15 0.467 -6.903 11.444 1.00 0.00 N ATOM 221 CA GLU A 15 0.638 -8.026 12.383 1.00 0.00 C ATOM 222 C GLU A 15 0.719 -9.351 11.608 1.00 0.00 C ATOM 223 O GLU A 15 1.604 -10.155 11.869 1.00 0.00 O ATOM 224 CB GLU A 15 -0.514 -8.091 13.426 1.00 0.00 C ATOM 225 CG GLU A 15 -0.594 -6.892 14.390 1.00 0.00 C ATOM 226 CD GLU A 15 0.722 -6.640 15.146 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.174 -7.537 15.888 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.328 -5.559 14.988 1.00 0.00 O ATOM 0 H GLU A 15 -0.444 -6.448 11.503 1.00 0.00 H new ATOM 0 HA GLU A 15 1.568 -7.862 12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.461 -8.172 12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.400 -9.002 14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.860 -5.997 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.393 -7.065 15.111 1.00 0.00 H new ATOM 235 N HIS A 16 -0.210 -9.546 10.640 1.00 0.00 N ATOM 236 CA HIS A 16 -0.266 -10.752 9.783 1.00 0.00 C ATOM 237 C HIS A 16 1.060 -10.956 9.024 1.00 0.00 C ATOM 238 O HIS A 16 1.529 -12.077 8.913 1.00 0.00 O ATOM 239 CB HIS A 16 -1.467 -10.693 8.783 1.00 0.00 C ATOM 240 CG HIS A 16 -2.820 -10.986 9.392 1.00 0.00 C ATOM 241 ND1 HIS A 16 -3.227 -12.261 9.731 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.852 -10.175 9.719 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.444 -12.214 10.240 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.839 -10.960 10.242 1.00 0.00 N ATOM 0 H HIS A 16 -0.943 -8.868 10.433 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.421 -11.608 10.440 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.496 -9.702 8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.286 -11.405 7.978 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.888 -9.103 9.590 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.016 -13.059 10.594 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.741 -10.626 10.581 1.00 0.00 H new ATOM 253 N LEU A 17 1.662 -9.848 8.553 1.00 0.00 N ATOM 254 CA LEU A 17 2.987 -9.854 7.887 1.00 0.00 C ATOM 255 C LEU A 17 4.049 -10.509 8.778 1.00 0.00 C ATOM 256 O LEU A 17 4.725 -11.458 8.368 1.00 0.00 O ATOM 257 CB LEU A 17 3.424 -8.404 7.554 1.00 0.00 C ATOM 258 CG LEU A 17 2.617 -7.695 6.435 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.995 -6.207 6.336 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.812 -8.421 5.090 1.00 0.00 C ATOM 0 H LEU A 17 1.246 -8.919 8.622 1.00 0.00 H new ATOM 0 HA LEU A 17 2.896 -10.432 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.352 -7.806 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.475 -8.419 7.264 1.00 0.00 H new ATOM 0 HG LEU A 17 1.558 -7.741 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.414 -5.736 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.782 -5.714 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.057 -6.116 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.239 -7.911 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.869 -8.415 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.466 -9.451 5.179 1.00 0.00 H new ATOM 272 N LYS A 18 4.150 -10.003 10.015 1.00 0.00 N ATOM 273 CA LYS A 18 5.124 -10.480 11.009 1.00 0.00 C ATOM 274 C LYS A 18 4.801 -11.922 11.458 1.00 0.00 C ATOM 275 O LYS A 18 5.692 -12.679 11.842 1.00 0.00 O ATOM 276 CB LYS A 18 5.157 -9.507 12.217 1.00 0.00 C ATOM 277 CG LYS A 18 5.570 -8.061 11.834 1.00 0.00 C ATOM 278 CD LYS A 18 5.594 -7.079 13.032 1.00 0.00 C ATOM 279 CE LYS A 18 4.215 -6.902 13.690 1.00 0.00 C ATOM 280 NZ LYS A 18 4.219 -5.813 14.702 1.00 0.00 N ATOM 0 H LYS A 18 3.556 -9.248 10.357 1.00 0.00 H new ATOM 0 HA LYS A 18 6.113 -10.501 10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.172 -9.484 12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.853 -9.890 12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.559 -8.085 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.879 -7.683 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.303 -7.441 13.777 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.956 -6.109 12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.472 -6.682 12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.916 -7.837 14.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.240 -5.553 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.705 -6.139 15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.715 -4.984 14.318 1.00 0.00 H new ATOM 294 N HIS A 19 3.509 -12.296 11.381 1.00 0.00 N ATOM 295 CA HIS A 19 3.022 -13.661 11.696 1.00 0.00 C ATOM 296 C HIS A 19 2.982 -14.556 10.431 1.00 0.00 C ATOM 297 O HIS A 19 2.234 -15.544 10.392 1.00 0.00 O ATOM 298 CB HIS A 19 1.614 -13.560 12.340 1.00 0.00 C ATOM 299 CG HIS A 19 1.540 -12.678 13.567 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.388 -12.035 13.968 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.489 -12.320 14.465 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.634 -11.326 15.049 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.902 -11.481 15.375 1.00 0.00 N ATOM 0 H HIS A 19 2.766 -11.658 11.097 1.00 0.00 H new ATOM 0 HA HIS A 19 3.714 -14.128 12.397 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.915 -13.181 11.594 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.280 -14.562 12.609 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.521 -12.638 14.464 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.083 -10.718 15.581 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.368 -11.048 16.172 1.00 0.00 H new ATOM 312 N ASP A 20 3.754 -14.153 9.390 1.00 0.00 N ATOM 313 CA ASP A 20 4.005 -14.939 8.144 1.00 0.00 C ATOM 314 C ASP A 20 2.825 -14.889 7.135 1.00 0.00 C ATOM 315 O ASP A 20 3.003 -15.208 5.954 1.00 0.00 O ATOM 316 CB ASP A 20 4.436 -16.409 8.470 1.00 0.00 C ATOM 317 CG ASP A 20 4.784 -17.262 7.231 1.00 0.00 C ATOM 318 OD1 ASP A 20 5.855 -17.027 6.623 1.00 0.00 O ATOM 319 OD2 ASP A 20 3.989 -18.151 6.840 1.00 0.00 O ATOM 0 H ASP A 20 4.233 -13.252 9.389 1.00 0.00 H new ATOM 0 HA ASP A 20 4.841 -14.452 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.301 -16.382 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.630 -16.898 9.018 1.00 0.00 H new ATOM 324 N ASN A 21 1.633 -14.449 7.589 1.00 0.00 N ATOM 325 CA ASN A 21 0.412 -14.364 6.752 1.00 0.00 C ATOM 326 C ASN A 21 0.451 -13.112 5.847 1.00 0.00 C ATOM 327 O ASN A 21 -0.287 -12.140 6.070 1.00 0.00 O ATOM 328 CB ASN A 21 -0.876 -14.338 7.642 1.00 0.00 C ATOM 329 CG ASN A 21 -1.012 -15.485 8.652 1.00 0.00 C ATOM 330 OD1 ASN A 21 -1.678 -15.324 9.673 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.412 -16.639 8.389 1.00 0.00 N ATOM 0 H ASN A 21 1.487 -14.141 8.550 1.00 0.00 H new ATOM 0 HA ASN A 21 0.382 -15.252 6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.899 -13.394 8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.748 -14.350 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.498 -17.419 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.135 -16.746 7.535 1.00 0.00 H new ATOM 338 N ALA A 22 1.333 -13.135 4.838 1.00 0.00 N ATOM 339 CA ALA A 22 1.443 -12.059 3.847 1.00 0.00 C ATOM 340 C ALA A 22 0.204 -12.055 2.937 1.00 0.00 C ATOM 341 O ALA A 22 -0.232 -11.001 2.505 1.00 0.00 O ATOM 342 CB ALA A 22 2.735 -12.210 3.032 1.00 0.00 C ATOM 0 H ALA A 22 1.990 -13.901 4.687 1.00 0.00 H new ATOM 0 HA ALA A 22 1.488 -11.101 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.801 -11.404 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.594 -12.165 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.728 -13.169 2.514 1.00 0.00 H new ATOM 348 N SER A 23 -0.332 -13.262 2.669 1.00 0.00 N ATOM 349 CA SER A 23 -1.590 -13.477 1.918 1.00 0.00 C ATOM 350 C SER A 23 -2.796 -12.763 2.570 1.00 0.00 C ATOM 351 O SER A 23 -3.561 -12.068 1.890 1.00 0.00 O ATOM 352 CB SER A 23 -1.857 -14.997 1.817 1.00 0.00 C ATOM 353 OG SER A 23 -1.869 -15.594 3.109 1.00 0.00 O ATOM 0 H SER A 23 0.104 -14.133 2.973 1.00 0.00 H new ATOM 0 HA SER A 23 -1.471 -13.045 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.812 -15.171 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.089 -15.466 1.202 1.00 0.00 H new ATOM 0 HG SER A 23 -2.041 -16.555 3.024 1.00 0.00 H new ATOM 359 N ARG A 24 -2.953 -12.946 3.898 1.00 0.00 N ATOM 360 CA ARG A 24 -4.048 -12.336 4.684 1.00 0.00 C ATOM 361 C ARG A 24 -3.864 -10.817 4.808 1.00 0.00 C ATOM 362 O ARG A 24 -4.841 -10.061 4.776 1.00 0.00 O ATOM 363 CB ARG A 24 -4.114 -12.989 6.090 1.00 0.00 C ATOM 364 CG ARG A 24 -4.623 -14.446 6.092 1.00 0.00 C ATOM 365 CD ARG A 24 -6.112 -14.539 5.702 1.00 0.00 C ATOM 366 NE ARG A 24 -6.615 -15.928 5.703 1.00 0.00 N ATOM 367 CZ ARG A 24 -7.786 -16.337 5.173 1.00 0.00 C ATOM 368 NH1 ARG A 24 -8.595 -15.486 4.539 1.00 0.00 N ATOM 369 NH2 ARG A 24 -8.135 -17.606 5.274 1.00 0.00 N ATOM 0 H ARG A 24 -2.323 -13.522 4.457 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.987 -12.516 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.120 -12.963 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.764 -12.389 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.029 -15.038 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.480 -14.878 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.703 -13.942 6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.252 -14.107 4.711 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.027 -16.637 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.332 -14.505 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.476 -15.817 4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.521 -18.267 5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.018 -17.925 4.877 1.00 0.00 H new ATOM 383 N ALA A 25 -2.598 -10.395 4.942 1.00 0.00 N ATOM 384 CA ALA A 25 -2.215 -8.975 4.988 1.00 0.00 C ATOM 385 C ALA A 25 -2.487 -8.299 3.639 1.00 0.00 C ATOM 386 O ALA A 25 -2.938 -7.155 3.588 1.00 0.00 O ATOM 387 CB ALA A 25 -0.733 -8.857 5.348 1.00 0.00 C ATOM 0 H ALA A 25 -1.806 -11.033 5.022 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.813 -8.472 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.449 -7.805 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.558 -9.312 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.134 -9.370 4.596 1.00 0.00 H new ATOM 393 N LEU A 26 -2.237 -9.066 2.561 1.00 0.00 N ATOM 394 CA LEU A 26 -2.398 -8.616 1.170 1.00 0.00 C ATOM 395 C LEU A 26 -3.874 -8.299 0.915 1.00 0.00 C ATOM 396 O LEU A 26 -4.207 -7.226 0.439 1.00 0.00 O ATOM 397 CB LEU A 26 -1.891 -9.719 0.187 1.00 0.00 C ATOM 398 CG LEU A 26 -1.732 -9.315 -1.310 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.646 -8.237 -1.480 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.433 -10.552 -2.196 1.00 0.00 C ATOM 0 H LEU A 26 -1.913 -10.030 2.636 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.806 -7.716 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.925 -10.075 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.580 -10.562 0.239 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.680 -8.890 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.556 -7.974 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.920 -7.351 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.308 -8.622 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.327 -10.239 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.508 -11.023 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.253 -11.265 -2.114 1.00 0.00 H new ATOM 412 N ALA A 27 -4.737 -9.261 1.299 1.00 0.00 N ATOM 413 CA ALA A 27 -6.203 -9.147 1.202 1.00 0.00 C ATOM 414 C ALA A 27 -6.739 -7.920 1.966 1.00 0.00 C ATOM 415 O ALA A 27 -7.552 -7.168 1.427 1.00 0.00 O ATOM 416 CB ALA A 27 -6.859 -10.439 1.723 1.00 0.00 C ATOM 0 H ALA A 27 -4.429 -10.151 1.691 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.461 -9.006 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.943 -10.352 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.522 -11.285 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.577 -10.596 2.764 1.00 0.00 H new ATOM 422 N LEU A 28 -6.260 -7.734 3.216 1.00 0.00 N ATOM 423 CA LEU A 28 -6.660 -6.595 4.080 1.00 0.00 C ATOM 424 C LEU A 28 -6.280 -5.234 3.456 1.00 0.00 C ATOM 425 O LEU A 28 -7.084 -4.306 3.489 1.00 0.00 O ATOM 426 CB LEU A 28 -6.052 -6.734 5.510 1.00 0.00 C ATOM 427 CG LEU A 28 -6.714 -7.805 6.443 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.941 -7.950 7.776 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.200 -7.464 6.704 1.00 0.00 C ATOM 0 H LEU A 28 -5.589 -8.364 3.655 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.746 -6.625 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.993 -6.974 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.114 -5.764 6.004 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.668 -8.765 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.427 -8.701 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.916 -8.258 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.935 -6.994 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.638 -8.221 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.270 -6.488 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.740 -7.442 5.757 1.00 0.00 H new ATOM 441 N PHE A 29 -5.062 -5.131 2.884 1.00 0.00 N ATOM 442 CA PHE A 29 -4.584 -3.895 2.230 1.00 0.00 C ATOM 443 C PHE A 29 -5.370 -3.609 0.918 1.00 0.00 C ATOM 444 O PHE A 29 -5.844 -2.491 0.709 1.00 0.00 O ATOM 445 CB PHE A 29 -3.059 -3.959 1.941 1.00 0.00 C ATOM 446 CG PHE A 29 -2.129 -3.833 3.156 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.301 -2.808 4.087 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.059 -4.716 3.343 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.444 -2.677 5.165 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.205 -4.584 4.426 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.399 -3.564 5.336 1.00 0.00 C ATOM 0 H PHE A 29 -4.387 -5.896 2.862 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.765 -3.074 2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.845 -4.905 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.811 -3.165 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.114 -2.108 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.897 -5.513 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.593 -1.878 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.612 -5.278 4.558 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.266 -3.460 6.181 1.00 0.00 H new ATOM 461 N GLU A 30 -5.525 -4.633 0.058 1.00 0.00 N ATOM 462 CA GLU A 30 -6.298 -4.538 -1.210 1.00 0.00 C ATOM 463 C GLU A 30 -7.761 -4.132 -0.941 1.00 0.00 C ATOM 464 O GLU A 30 -8.400 -3.451 -1.752 1.00 0.00 O ATOM 465 CB GLU A 30 -6.262 -5.898 -1.954 1.00 0.00 C ATOM 466 CG GLU A 30 -4.877 -6.303 -2.495 1.00 0.00 C ATOM 467 CD GLU A 30 -4.894 -7.684 -3.169 1.00 0.00 C ATOM 468 OE1 GLU A 30 -4.983 -8.705 -2.450 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.860 -7.759 -4.415 1.00 0.00 O ATOM 0 H GLU A 30 -5.119 -5.555 0.217 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.837 -3.769 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.613 -6.676 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.964 -5.859 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.537 -5.556 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.158 -6.310 -1.676 1.00 0.00 H new ATOM 476 N GLU A 31 -8.254 -4.565 0.222 1.00 0.00 N ATOM 477 CA GLU A 31 -9.589 -4.244 0.717 1.00 0.00 C ATOM 478 C GLU A 31 -9.665 -2.781 1.154 1.00 0.00 C ATOM 479 O GLU A 31 -10.602 -2.081 0.787 1.00 0.00 O ATOM 480 CB GLU A 31 -9.913 -5.189 1.879 1.00 0.00 C ATOM 481 CG GLU A 31 -11.238 -4.945 2.618 1.00 0.00 C ATOM 482 CD GLU A 31 -11.454 -5.977 3.730 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.523 -6.179 4.536 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.520 -6.623 3.777 1.00 0.00 O ATOM 0 H GLU A 31 -7.723 -5.161 0.857 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.324 -4.379 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.920 -6.209 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.102 -5.126 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.239 -3.942 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.066 -4.992 1.910 1.00 0.00 H new ATOM 491 N LEU A 32 -8.654 -2.336 1.922 1.00 0.00 N ATOM 492 CA LEU A 32 -8.542 -0.944 2.404 1.00 0.00 C ATOM 493 C LEU A 32 -8.549 0.056 1.244 1.00 0.00 C ATOM 494 O LEU A 32 -9.083 1.148 1.381 1.00 0.00 O ATOM 495 CB LEU A 32 -7.262 -0.769 3.257 1.00 0.00 C ATOM 496 CG LEU A 32 -7.307 -1.397 4.675 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.916 -1.388 5.338 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.363 -0.680 5.541 1.00 0.00 C ATOM 0 H LEU A 32 -7.887 -2.934 2.228 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.413 -0.738 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.423 -1.204 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.058 0.297 3.358 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.602 -2.442 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.983 -1.835 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.218 -1.962 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.561 -0.361 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.385 -1.129 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.107 0.376 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.344 -0.779 5.076 1.00 0.00 H new ATOM 510 N VAL A 33 -7.939 -0.340 0.119 1.00 0.00 N ATOM 511 CA VAL A 33 -7.980 0.427 -1.130 1.00 0.00 C ATOM 512 C VAL A 33 -9.419 0.508 -1.669 1.00 0.00 C ATOM 513 O VAL A 33 -9.958 1.607 -1.828 1.00 0.00 O ATOM 514 CB VAL A 33 -7.023 -0.217 -2.213 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.195 0.429 -3.614 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.550 -0.151 -1.748 1.00 0.00 C ATOM 0 H VAL A 33 -7.402 -1.204 0.051 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.632 1.438 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.310 -1.264 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.516 -0.048 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.223 0.296 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.967 1.493 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.908 -0.599 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.262 0.890 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.439 -0.697 -0.811 1.00 0.00 H new ATOM 526 N GLU A 34 -10.040 -0.666 -1.920 1.00 0.00 N ATOM 527 CA GLU A 34 -11.330 -0.757 -2.642 1.00 0.00 C ATOM 528 C GLU A 34 -12.498 -0.099 -1.866 1.00 0.00 C ATOM 529 O GLU A 34 -13.444 0.394 -2.486 1.00 0.00 O ATOM 530 CB GLU A 34 -11.672 -2.231 -3.010 1.00 0.00 C ATOM 531 CG GLU A 34 -12.013 -3.136 -1.810 1.00 0.00 C ATOM 532 CD GLU A 34 -12.369 -4.581 -2.193 1.00 0.00 C ATOM 533 OE1 GLU A 34 -13.517 -4.814 -2.629 1.00 0.00 O ATOM 534 OE2 GLU A 34 -11.518 -5.489 -2.051 1.00 0.00 O ATOM 0 H GLU A 34 -9.666 -1.570 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.204 -0.192 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.517 -2.232 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.825 -2.663 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.163 -3.152 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.850 -2.699 -1.266 1.00 0.00 H new ATOM 541 N THR A 35 -12.437 -0.097 -0.514 1.00 0.00 N ATOM 542 CA THR A 35 -13.480 0.527 0.328 1.00 0.00 C ATOM 543 C THR A 35 -13.126 1.992 0.655 1.00 0.00 C ATOM 544 O THR A 35 -14.007 2.857 0.646 1.00 0.00 O ATOM 545 CB THR A 35 -13.759 -0.287 1.649 1.00 0.00 C ATOM 546 OG1 THR A 35 -14.838 0.325 2.381 1.00 0.00 O ATOM 547 CG2 THR A 35 -12.533 -0.405 2.579 1.00 0.00 C ATOM 0 H THR A 35 -11.675 -0.521 0.016 1.00 0.00 H new ATOM 0 HA THR A 35 -14.401 0.513 -0.256 1.00 0.00 H new ATOM 0 HB THR A 35 -14.018 -1.297 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.008 -0.185 3.200 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.803 -0.978 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.724 -0.911 2.052 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.205 0.591 2.876 1.00 0.00 H new ATOM 555 N ASP A 36 -11.832 2.269 0.903 1.00 0.00 N ATOM 556 CA ASP A 36 -11.341 3.596 1.348 1.00 0.00 C ATOM 557 C ASP A 36 -10.152 4.015 0.453 1.00 0.00 C ATOM 558 O ASP A 36 -8.990 3.881 0.855 1.00 0.00 O ATOM 559 CB ASP A 36 -10.945 3.569 2.861 1.00 0.00 C ATOM 560 CG ASP A 36 -12.150 3.644 3.828 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.884 2.641 3.988 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.376 4.718 4.440 1.00 0.00 O ATOM 0 H ASP A 36 -11.090 1.577 0.801 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.137 4.334 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.386 2.655 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.275 4.404 3.066 1.00 0.00 H new ATOM 567 N PRO A 37 -10.427 4.522 -0.798 1.00 0.00 N ATOM 568 CA PRO A 37 -9.370 4.870 -1.785 1.00 0.00 C ATOM 569 C PRO A 37 -8.505 6.076 -1.354 1.00 0.00 C ATOM 570 O PRO A 37 -7.439 6.309 -1.905 1.00 0.00 O ATOM 571 CB PRO A 37 -10.166 5.183 -3.094 1.00 0.00 C ATOM 572 CG PRO A 37 -11.552 4.669 -2.844 1.00 0.00 C ATOM 573 CD PRO A 37 -11.770 4.811 -1.357 1.00 0.00 C ATOM 0 HA PRO A 37 -8.652 4.058 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.175 6.253 -3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.714 4.693 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.290 5.241 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.648 3.630 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.111 5.812 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.520 4.111 -0.990 1.00 0.00 H new ATOM 581 N ASP A 38 -8.985 6.801 -0.344 1.00 0.00 N ATOM 582 CA ASP A 38 -8.326 8.004 0.197 1.00 0.00 C ATOM 583 C ASP A 38 -7.214 7.619 1.197 1.00 0.00 C ATOM 584 O ASP A 38 -6.327 8.436 1.474 1.00 0.00 O ATOM 585 CB ASP A 38 -9.379 8.913 0.882 1.00 0.00 C ATOM 586 CG ASP A 38 -9.974 8.273 2.145 1.00 0.00 C ATOM 587 OD1 ASP A 38 -10.679 7.248 2.027 1.00 0.00 O ATOM 588 OD2 ASP A 38 -9.734 8.778 3.259 1.00 0.00 O ATOM 0 H ASP A 38 -9.856 6.571 0.134 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.864 8.549 -0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.917 9.865 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.181 9.131 0.176 1.00 0.00 H new ATOM 593 N TYR A 39 -7.300 6.388 1.764 1.00 0.00 N ATOM 594 CA TYR A 39 -6.324 5.875 2.743 1.00 0.00 C ATOM 595 C TYR A 39 -4.950 5.656 2.055 1.00 0.00 C ATOM 596 O TYR A 39 -4.671 4.569 1.531 1.00 0.00 O ATOM 597 CB TYR A 39 -6.831 4.542 3.390 1.00 0.00 C ATOM 598 CG TYR A 39 -6.295 4.270 4.813 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.030 3.716 5.014 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.039 4.592 5.953 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.534 3.483 6.276 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.545 4.355 7.221 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.294 3.800 7.377 1.00 0.00 C ATOM 604 OH TYR A 39 -4.806 3.558 8.641 1.00 0.00 O ATOM 0 H TYR A 39 -8.049 5.729 1.551 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.209 6.612 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.920 4.562 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.548 3.710 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.424 3.463 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.018 5.034 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.551 3.053 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.138 4.604 8.088 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.156 2.825 8.606 1.00 0.00 H new ATOM 614 N VAL A 40 -4.123 6.710 2.052 1.00 0.00 N ATOM 615 CA VAL A 40 -2.817 6.733 1.355 1.00 0.00 C ATOM 616 C VAL A 40 -1.818 5.723 1.974 1.00 0.00 C ATOM 617 O VAL A 40 -1.027 5.092 1.251 1.00 0.00 O ATOM 618 CB VAL A 40 -2.198 8.181 1.382 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.864 8.237 0.619 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.194 9.224 0.824 1.00 0.00 C ATOM 0 H VAL A 40 -4.338 7.582 2.536 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.998 6.439 0.321 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.996 8.429 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.465 9.251 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.153 7.549 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.027 7.951 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.739 10.214 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.445 8.972 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.100 9.222 1.429 1.00 0.00 H new ATOM 630 N GLY A 41 -1.898 5.559 3.312 1.00 0.00 N ATOM 631 CA GLY A 41 -0.982 4.689 4.066 1.00 0.00 C ATOM 632 C GLY A 41 -1.034 3.235 3.625 1.00 0.00 C ATOM 633 O GLY A 41 -0.036 2.511 3.719 1.00 0.00 O ATOM 0 H GLY A 41 -2.596 6.024 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.037 5.060 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.226 4.749 5.127 1.00 0.00 H new ATOM 637 N THR A 42 -2.216 2.809 3.149 1.00 0.00 N ATOM 638 CA THR A 42 -2.410 1.481 2.572 1.00 0.00 C ATOM 639 C THR A 42 -1.541 1.287 1.319 1.00 0.00 C ATOM 640 O THR A 42 -0.818 0.306 1.235 1.00 0.00 O ATOM 641 CB THR A 42 -3.903 1.233 2.202 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.703 1.284 3.383 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.105 -0.119 1.516 1.00 0.00 C ATOM 0 H THR A 42 -3.060 3.381 3.156 1.00 0.00 H new ATOM 0 HA THR A 42 -2.109 0.760 3.332 1.00 0.00 H new ATOM 0 HB THR A 42 -4.204 2.014 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.053 2.192 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.160 -0.251 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.517 -0.153 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.783 -0.918 2.184 1.00 0.00 H new ATOM 651 N TYR A 43 -1.600 2.253 0.380 1.00 0.00 N ATOM 652 CA TYR A 43 -0.976 2.130 -0.955 1.00 0.00 C ATOM 653 C TYR A 43 0.539 1.898 -0.879 1.00 0.00 C ATOM 654 O TYR A 43 1.079 1.074 -1.629 1.00 0.00 O ATOM 655 CB TYR A 43 -1.282 3.371 -1.820 1.00 0.00 C ATOM 656 CG TYR A 43 -2.758 3.482 -2.232 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.220 2.892 -3.412 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.683 4.172 -1.449 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.536 2.995 -3.793 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.003 4.270 -1.829 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.420 3.684 -3.001 1.00 0.00 C ATOM 662 OH TYR A 43 -6.729 3.797 -3.392 1.00 0.00 O ATOM 0 H TYR A 43 -2.081 3.141 0.525 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.415 1.249 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.999 4.267 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.664 3.340 -2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.529 2.345 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.359 4.637 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.873 2.536 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.708 4.805 -1.209 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.060 4.693 -3.172 1.00 0.00 H new ATOM 672 N TYR A 44 1.222 2.638 0.009 1.00 0.00 N ATOM 673 CA TYR A 44 2.651 2.417 0.280 1.00 0.00 C ATOM 674 C TYR A 44 2.918 0.957 0.705 1.00 0.00 C ATOM 675 O TYR A 44 3.554 0.213 -0.032 1.00 0.00 O ATOM 676 CB TYR A 44 3.156 3.416 1.360 1.00 0.00 C ATOM 677 CG TYR A 44 4.685 3.419 1.540 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.513 4.000 0.578 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.300 2.840 2.657 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.887 4.005 0.724 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.673 2.847 2.807 1.00 0.00 C ATOM 682 CZ TYR A 44 7.462 3.429 1.839 1.00 0.00 C ATOM 683 OH TYR A 44 8.832 3.436 1.983 1.00 0.00 O ATOM 0 H TYR A 44 0.807 3.395 0.552 1.00 0.00 H new ATOM 0 HA TYR A 44 3.206 2.597 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.829 4.421 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.688 3.172 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.071 4.454 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.688 2.378 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.510 4.459 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.126 2.398 3.679 1.00 0.00 H new ATOM 0 HH TYR A 44 9.075 2.992 2.822 1.00 0.00 H new ATOM 693 N HIS A 45 2.339 0.565 1.854 1.00 0.00 N ATOM 694 CA HIS A 45 2.599 -0.740 2.512 1.00 0.00 C ATOM 695 C HIS A 45 2.175 -1.939 1.632 1.00 0.00 C ATOM 696 O HIS A 45 2.871 -2.957 1.584 1.00 0.00 O ATOM 697 CB HIS A 45 1.907 -0.776 3.909 1.00 0.00 C ATOM 698 CG HIS A 45 2.490 0.216 4.889 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.012 -0.137 6.110 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.662 1.558 4.802 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.479 0.931 6.713 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.279 1.971 5.945 1.00 0.00 N ATOM 0 H HIS A 45 1.671 1.146 2.361 1.00 0.00 H new ATOM 0 HA HIS A 45 3.676 -0.837 2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.843 -0.572 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.993 -1.780 4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.364 2.187 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.951 0.948 7.684 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.541 2.932 6.165 1.00 0.00 H new ATOM 711 N LEU A 46 1.064 -1.782 0.904 1.00 0.00 N ATOM 712 CA LEU A 46 0.554 -2.790 -0.050 1.00 0.00 C ATOM 713 C LEU A 46 1.558 -2.986 -1.204 1.00 0.00 C ATOM 714 O LEU A 46 1.832 -4.121 -1.616 1.00 0.00 O ATOM 715 CB LEU A 46 -0.842 -2.363 -0.597 1.00 0.00 C ATOM 716 CG LEU A 46 -1.498 -3.287 -1.683 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.597 -4.758 -1.224 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.884 -2.753 -2.110 1.00 0.00 C ATOM 0 H LEU A 46 0.483 -0.945 0.956 1.00 0.00 H new ATOM 0 HA LEU A 46 0.439 -3.741 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.529 -2.293 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.749 -1.361 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.838 -3.265 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.058 -5.355 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.598 -5.142 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.205 -4.817 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.313 -3.414 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.543 -2.716 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.776 -1.751 -2.526 1.00 0.00 H new ATOM 730 N GLY A 47 2.127 -1.864 -1.684 1.00 0.00 N ATOM 731 CA GLY A 47 3.099 -1.886 -2.768 1.00 0.00 C ATOM 732 C GLY A 47 4.445 -2.450 -2.326 1.00 0.00 C ATOM 733 O GLY A 47 5.137 -3.090 -3.119 1.00 0.00 O ATOM 0 H GLY A 47 1.921 -0.930 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.709 -2.485 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.239 -0.874 -3.149 1.00 0.00 H new ATOM 737 N LYS A 48 4.823 -2.194 -1.052 1.00 0.00 N ATOM 738 CA LYS A 48 6.083 -2.709 -0.470 1.00 0.00 C ATOM 739 C LYS A 48 5.990 -4.236 -0.335 1.00 0.00 C ATOM 740 O LYS A 48 6.979 -4.947 -0.505 1.00 0.00 O ATOM 741 CB LYS A 48 6.387 -2.088 0.929 1.00 0.00 C ATOM 742 CG LYS A 48 6.409 -0.545 1.003 1.00 0.00 C ATOM 743 CD LYS A 48 7.442 0.157 0.083 1.00 0.00 C ATOM 744 CE LYS A 48 8.914 -0.026 0.516 1.00 0.00 C ATOM 745 NZ LYS A 48 9.443 -1.380 0.214 1.00 0.00 N ATOM 0 H LYS A 48 4.270 -1.631 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 48 6.895 -2.427 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.641 -2.454 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.354 -2.460 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.415 -0.173 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.609 -0.252 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.325 -0.225 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.216 1.223 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.530 0.719 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.998 0.161 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.427 -1.303 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.408 -1.966 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.865 -1.821 -0.530 1.00 0.00 H new ATOM 759 N LEU A 49 4.767 -4.712 -0.026 1.00 0.00 N ATOM 760 CA LEU A 49 4.452 -6.145 0.055 1.00 0.00 C ATOM 761 C LEU A 49 4.531 -6.780 -1.344 1.00 0.00 C ATOM 762 O LEU A 49 4.978 -7.915 -1.488 1.00 0.00 O ATOM 763 CB LEU A 49 3.055 -6.355 0.702 1.00 0.00 C ATOM 764 CG LEU A 49 2.591 -7.836 0.910 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.671 -8.691 1.618 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.245 -7.883 1.677 1.00 0.00 C ATOM 0 H LEU A 49 3.970 -4.108 0.174 1.00 0.00 H new ATOM 0 HA LEU A 49 5.186 -6.640 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.051 -5.858 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.314 -5.850 0.082 1.00 0.00 H new ATOM 0 HG LEU A 49 2.440 -8.274 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.305 -9.710 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.579 -8.702 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.890 -8.264 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.939 -8.920 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.365 -7.411 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.483 -7.351 1.107 1.00 0.00 H new ATOM 778 N TYR A 50 4.121 -6.018 -2.365 1.00 0.00 N ATOM 779 CA TYR A 50 4.295 -6.411 -3.770 1.00 0.00 C ATOM 780 C TYR A 50 5.794 -6.476 -4.158 1.00 0.00 C ATOM 781 O TYR A 50 6.191 -7.351 -4.930 1.00 0.00 O ATOM 782 CB TYR A 50 3.523 -5.455 -4.707 1.00 0.00 C ATOM 783 CG TYR A 50 1.997 -5.611 -4.688 1.00 0.00 C ATOM 784 CD1 TYR A 50 1.414 -6.875 -4.676 1.00 0.00 C ATOM 785 CD2 TYR A 50 1.142 -4.508 -4.738 1.00 0.00 C ATOM 786 CE1 TYR A 50 0.054 -7.037 -4.713 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.228 -4.674 -4.763 1.00 0.00 C ATOM 788 CZ TYR A 50 -0.764 -5.936 -4.755 1.00 0.00 C ATOM 789 OH TYR A 50 -2.130 -6.105 -4.792 1.00 0.00 O ATOM 0 H TYR A 50 3.661 -5.116 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 50 3.881 -7.412 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.770 -4.429 -4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.875 -5.609 -5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.048 -7.748 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.558 -3.512 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.373 -8.029 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.877 -3.811 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.567 -5.228 -4.818 1.00 0.00 H new ATOM 799 N GLU A 51 6.621 -5.560 -3.602 1.00 0.00 N ATOM 800 CA GLU A 51 8.093 -5.590 -3.799 1.00 0.00 C ATOM 801 C GLU A 51 8.729 -6.831 -3.119 1.00 0.00 C ATOM 802 O GLU A 51 9.812 -7.268 -3.516 1.00 0.00 O ATOM 803 CB GLU A 51 8.793 -4.290 -3.303 1.00 0.00 C ATOM 804 CG GLU A 51 8.447 -3.003 -4.085 1.00 0.00 C ATOM 805 CD GLU A 51 9.410 -1.832 -3.765 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.205 -1.122 -2.753 1.00 0.00 O ATOM 807 OE2 GLU A 51 10.397 -1.637 -4.508 1.00 0.00 O ATOM 0 H GLU A 51 6.297 -4.792 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 51 8.252 -5.656 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.534 -4.137 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.872 -4.441 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.479 -3.213 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.426 -2.703 -3.850 1.00 0.00 H new ATOM 814 N ARG A 52 8.040 -7.381 -2.099 1.00 0.00 N ATOM 815 CA ARG A 52 8.458 -8.615 -1.397 1.00 0.00 C ATOM 816 C ARG A 52 8.029 -9.880 -2.173 1.00 0.00 C ATOM 817 O ARG A 52 8.782 -10.850 -2.264 1.00 0.00 O ATOM 818 CB ARG A 52 7.850 -8.642 0.026 1.00 0.00 C ATOM 819 CG ARG A 52 8.344 -7.513 0.955 1.00 0.00 C ATOM 820 CD ARG A 52 7.587 -7.471 2.294 1.00 0.00 C ATOM 821 NE ARG A 52 7.705 -8.734 3.044 1.00 0.00 N ATOM 822 CZ ARG A 52 7.056 -9.026 4.181 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.239 -8.146 4.761 1.00 0.00 N ATOM 824 NH2 ARG A 52 7.244 -10.203 4.747 1.00 0.00 N ATOM 0 H ARG A 52 7.174 -6.982 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 52 9.546 -8.612 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.765 -8.580 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.081 -9.602 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.408 -7.647 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.230 -6.555 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.974 -6.653 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.534 -7.259 2.107 1.00 0.00 H new ATOM 0 HE ARG A 52 8.332 -9.445 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.097 -7.228 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.756 -8.391 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.877 -10.879 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.756 -10.437 5.612 1.00 0.00 H new ATOM 838 N LEU A 53 6.805 -9.851 -2.725 1.00 0.00 N ATOM 839 CA LEU A 53 6.179 -11.016 -3.400 1.00 0.00 C ATOM 840 C LEU A 53 6.505 -11.074 -4.914 1.00 0.00 C ATOM 841 O LEU A 53 5.839 -11.804 -5.654 1.00 0.00 O ATOM 842 CB LEU A 53 4.639 -10.956 -3.172 1.00 0.00 C ATOM 843 CG LEU A 53 4.153 -11.064 -1.687 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.619 -10.889 -1.581 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.619 -12.391 -1.033 1.00 0.00 C ATOM 0 H LEU A 53 6.214 -9.020 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 53 6.592 -11.926 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.268 -10.018 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.177 -11.762 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 53 4.614 -10.247 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.315 -10.969 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.337 -9.909 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.123 -11.665 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.265 -12.433 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.213 -13.234 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.708 -12.439 -1.044 1.00 0.00 H new ATOM 857 N ASP A 54 7.535 -10.311 -5.357 1.00 0.00 N ATOM 858 CA ASP A 54 7.967 -10.218 -6.790 1.00 0.00 C ATOM 859 C ASP A 54 6.834 -9.715 -7.724 1.00 0.00 C ATOM 860 O ASP A 54 6.897 -9.871 -8.951 1.00 0.00 O ATOM 861 CB ASP A 54 8.553 -11.567 -7.293 1.00 0.00 C ATOM 862 CG ASP A 54 9.758 -12.042 -6.462 1.00 0.00 C ATOM 863 OD1 ASP A 54 10.826 -11.397 -6.538 1.00 0.00 O ATOM 864 OD2 ASP A 54 9.645 -13.051 -5.727 1.00 0.00 O ATOM 0 H ASP A 54 8.099 -9.735 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 54 8.759 -9.470 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.774 -12.329 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.856 -11.460 -8.335 1.00 0.00 H new ATOM 869 N ARG A 55 5.831 -9.064 -7.122 1.00 0.00 N ATOM 870 CA ARG A 55 4.674 -8.491 -7.822 1.00 0.00 C ATOM 871 C ARG A 55 4.956 -7.005 -8.145 1.00 0.00 C ATOM 872 O ARG A 55 4.125 -6.135 -7.877 1.00 0.00 O ATOM 873 CB ARG A 55 3.407 -8.615 -6.919 1.00 0.00 C ATOM 874 CG ARG A 55 3.002 -10.037 -6.487 1.00 0.00 C ATOM 875 CD ARG A 55 2.663 -10.940 -7.679 1.00 0.00 C ATOM 876 NE ARG A 55 1.651 -10.351 -8.575 1.00 0.00 N ATOM 877 CZ ARG A 55 0.900 -11.026 -9.456 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.916 -12.348 -9.503 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.106 -10.360 -10.278 1.00 0.00 N ATOM 0 H ARG A 55 5.800 -8.918 -6.113 1.00 0.00 H new ATOM 0 HA ARG A 55 4.500 -9.031 -8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.570 -8.020 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.566 -8.168 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.815 -10.485 -5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.140 -9.979 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.572 -11.140 -8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.300 -11.899 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 55 1.510 -9.342 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.508 -12.874 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.336 -12.841 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.069 -9.341 -10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.469 -10.865 -10.952 1.00 0.00 H new ATOM 893 N THR A 56 6.136 -6.738 -8.735 1.00 0.00 N ATOM 894 CA THR A 56 6.628 -5.373 -9.010 1.00 0.00 C ATOM 895 C THR A 56 5.647 -4.573 -9.885 1.00 0.00 C ATOM 896 O THR A 56 5.415 -3.392 -9.639 1.00 0.00 O ATOM 897 CB THR A 56 8.008 -5.421 -9.723 1.00 0.00 C ATOM 898 OG1 THR A 56 8.924 -6.258 -8.997 1.00 0.00 O ATOM 899 CG2 THR A 56 8.622 -4.027 -9.889 1.00 0.00 C ATOM 0 H THR A 56 6.781 -7.469 -9.037 1.00 0.00 H new ATOM 0 HA THR A 56 6.723 -4.874 -8.046 1.00 0.00 H new ATOM 0 HB THR A 56 7.834 -5.837 -10.715 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.787 -6.278 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.585 -4.111 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.955 -3.404 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.763 -3.573 -8.908 1.00 0.00 H new ATOM 907 N ASP A 57 5.059 -5.249 -10.877 1.00 0.00 N ATOM 908 CA ASP A 57 4.105 -4.629 -11.813 1.00 0.00 C ATOM 909 C ASP A 57 2.866 -4.103 -11.056 1.00 0.00 C ATOM 910 O ASP A 57 2.390 -2.987 -11.299 1.00 0.00 O ATOM 911 CB ASP A 57 3.689 -5.664 -12.883 1.00 0.00 C ATOM 912 CG ASP A 57 2.819 -5.073 -14.003 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.351 -4.313 -14.845 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.605 -5.347 -14.046 1.00 0.00 O ATOM 0 H ASP A 57 5.228 -6.239 -11.057 1.00 0.00 H new ATOM 0 HA ASP A 57 4.584 -3.781 -12.303 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.586 -6.101 -13.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.144 -6.475 -12.400 1.00 0.00 H new ATOM 919 N ASP A 58 2.405 -4.921 -10.101 1.00 0.00 N ATOM 920 CA ASP A 58 1.262 -4.602 -9.226 1.00 0.00 C ATOM 921 C ASP A 58 1.631 -3.449 -8.276 1.00 0.00 C ATOM 922 O ASP A 58 0.793 -2.606 -7.960 1.00 0.00 O ATOM 923 CB ASP A 58 0.851 -5.857 -8.407 1.00 0.00 C ATOM 924 CG ASP A 58 0.599 -7.095 -9.281 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.583 -7.669 -9.805 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.568 -7.509 -9.459 1.00 0.00 O ATOM 0 H ASP A 58 2.818 -5.834 -9.910 1.00 0.00 H new ATOM 0 HA ASP A 58 0.419 -4.294 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.635 -6.084 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.051 -5.632 -7.838 1.00 0.00 H new ATOM 931 N ALA A 59 2.915 -3.441 -7.836 1.00 0.00 N ATOM 932 CA ALA A 59 3.472 -2.401 -6.947 1.00 0.00 C ATOM 933 C ALA A 59 3.375 -1.014 -7.597 1.00 0.00 C ATOM 934 O ALA A 59 2.840 -0.096 -6.988 1.00 0.00 O ATOM 935 CB ALA A 59 4.939 -2.712 -6.565 1.00 0.00 C ATOM 0 H ALA A 59 3.592 -4.160 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 59 2.877 -2.399 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.319 -1.927 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.985 -3.670 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.548 -2.758 -7.468 1.00 0.00 H new ATOM 941 N ILE A 60 3.854 -0.907 -8.855 1.00 0.00 N ATOM 942 CA ILE A 60 3.902 0.373 -9.607 1.00 0.00 C ATOM 943 C ILE A 60 2.488 0.966 -9.756 1.00 0.00 C ATOM 944 O ILE A 60 2.294 2.170 -9.634 1.00 0.00 O ATOM 945 CB ILE A 60 4.531 0.211 -11.055 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.845 -0.620 -11.017 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.787 1.588 -11.713 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.927 -0.059 -10.125 1.00 0.00 C ATOM 0 H ILE A 60 4.218 -1.702 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 60 4.540 1.040 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 60 3.804 -0.331 -11.661 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.609 -1.631 -10.685 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.236 -0.701 -12.031 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.218 1.443 -12.704 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.845 2.129 -11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.478 2.163 -11.097 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.803 -0.706 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.198 0.940 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.561 -0.005 -9.100 1.00 0.00 H new ATOM 960 N ASP A 61 1.523 0.073 -10.018 1.00 0.00 N ATOM 961 CA ASP A 61 0.097 0.420 -10.198 1.00 0.00 C ATOM 962 C ASP A 61 -0.527 0.924 -8.878 1.00 0.00 C ATOM 963 O ASP A 61 -1.319 1.876 -8.872 1.00 0.00 O ATOM 964 CB ASP A 61 -0.668 -0.824 -10.729 1.00 0.00 C ATOM 965 CG ASP A 61 -2.163 -0.560 -11.002 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.477 0.207 -11.943 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.029 -1.135 -10.302 1.00 0.00 O ATOM 0 H ASP A 61 1.709 -0.925 -10.113 1.00 0.00 H new ATOM 0 HA ASP A 61 0.019 1.230 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.194 -1.166 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.577 -1.633 -10.004 1.00 0.00 H new ATOM 972 N THR A 62 -0.149 0.266 -7.768 1.00 0.00 N ATOM 973 CA THR A 62 -0.604 0.614 -6.407 1.00 0.00 C ATOM 974 C THR A 62 -0.046 1.985 -5.967 1.00 0.00 C ATOM 975 O THR A 62 -0.766 2.805 -5.385 1.00 0.00 O ATOM 976 CB THR A 62 -0.170 -0.501 -5.396 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.743 -1.748 -5.797 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.590 -0.200 -3.950 1.00 0.00 C ATOM 0 H THR A 62 0.487 -0.531 -7.789 1.00 0.00 H new ATOM 0 HA THR A 62 -1.692 0.683 -6.417 1.00 0.00 H new ATOM 0 HB THR A 62 0.919 -0.542 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.236 -2.113 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.260 -1.010 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.133 0.735 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.675 -0.111 -3.897 1.00 0.00 H new ATOM 986 N TYR A 63 1.244 2.216 -6.261 1.00 0.00 N ATOM 987 CA TYR A 63 1.924 3.487 -5.962 1.00 0.00 C ATOM 988 C TYR A 63 1.346 4.624 -6.819 1.00 0.00 C ATOM 989 O TYR A 63 1.184 5.727 -6.326 1.00 0.00 O ATOM 990 CB TYR A 63 3.447 3.380 -6.206 1.00 0.00 C ATOM 991 CG TYR A 63 4.198 2.383 -5.306 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.972 2.323 -3.929 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.172 1.531 -5.833 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.688 1.456 -3.127 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.877 0.662 -5.036 1.00 0.00 C ATOM 996 CZ TYR A 63 5.637 0.630 -3.690 1.00 0.00 C ATOM 997 OH TYR A 63 6.358 -0.219 -2.897 1.00 0.00 O ATOM 0 H TYR A 63 1.845 1.527 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 63 1.755 3.708 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.611 3.097 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.888 4.367 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.226 2.965 -3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.376 1.556 -6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.505 1.425 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.618 0.007 -5.471 1.00 0.00 H new ATOM 0 HH TYR A 63 7.291 -0.232 -3.196 1.00 0.00 H new ATOM 1007 N ALA A 64 1.065 4.324 -8.105 1.00 0.00 N ATOM 1008 CA ALA A 64 0.453 5.272 -9.065 1.00 0.00 C ATOM 1009 C ALA A 64 -0.938 5.746 -8.591 1.00 0.00 C ATOM 1010 O ALA A 64 -1.192 6.946 -8.510 1.00 0.00 O ATOM 1011 CB ALA A 64 0.356 4.623 -10.459 1.00 0.00 C ATOM 0 H ALA A 64 1.258 3.409 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 64 1.095 6.151 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.095 5.328 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.354 4.356 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.260 3.725 -10.400 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.821 4.777 -8.264 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.166 5.042 -7.691 1.00 0.00 C ATOM 1019 C GLN A 65 -3.000 5.851 -6.385 1.00 0.00 C ATOM 1020 O GLN A 65 -3.767 6.780 -6.092 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.917 3.676 -7.443 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.429 3.611 -7.843 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.465 4.060 -6.788 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.550 3.494 -6.711 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.204 5.115 -6.043 1.00 0.00 N ATOM 0 H GLN A 65 -1.623 3.784 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.770 5.627 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.388 2.895 -7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.837 3.433 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.568 4.224 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.659 2.583 -8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.298 5.579 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.908 5.468 -5.395 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.959 5.472 -5.630 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.571 6.153 -4.410 1.00 0.00 C ATOM 1036 C GLY A 66 -1.184 7.611 -4.624 1.00 0.00 C ATOM 1037 O GLY A 66 -1.555 8.446 -3.828 1.00 0.00 O ATOM 0 H GLY A 66 -1.364 4.676 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.395 6.105 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.731 5.625 -3.960 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.429 7.898 -5.704 1.00 0.00 N ATOM 1042 CA ILE A 67 0.068 9.260 -6.042 1.00 0.00 C ATOM 1043 C ILE A 67 -1.103 10.238 -6.212 1.00 0.00 C ATOM 1044 O ILE A 67 -1.049 11.384 -5.742 1.00 0.00 O ATOM 1045 CB ILE A 67 0.940 9.213 -7.368 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.335 8.569 -7.089 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.092 10.599 -8.055 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.179 8.341 -8.324 1.00 0.00 C ATOM 0 H ILE A 67 -0.141 7.188 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 67 0.693 9.611 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 67 0.395 8.585 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.886 9.210 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.186 7.614 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.699 10.495 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.107 10.982 -8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.576 11.294 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.129 7.891 -8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.653 7.673 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.364 9.294 -8.820 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.164 9.732 -6.857 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.390 10.483 -7.156 1.00 0.00 C ATOM 1062 C GLU A 68 -4.055 10.941 -5.849 1.00 0.00 C ATOM 1063 O GLU A 68 -4.371 12.111 -5.671 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.357 9.579 -7.967 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.714 8.889 -9.182 1.00 0.00 C ATOM 1066 CD GLU A 68 -3.253 9.862 -10.279 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -4.073 10.225 -11.145 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -2.070 10.274 -10.274 1.00 0.00 O ATOM 0 H GLU A 68 -2.194 8.769 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.145 11.366 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.763 8.815 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.197 10.183 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.858 8.305 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.430 8.187 -9.610 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.207 9.988 -4.925 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.882 10.221 -3.633 1.00 0.00 C ATOM 1077 C VAL A 69 -3.933 10.885 -2.606 1.00 0.00 C ATOM 1078 O VAL A 69 -4.385 11.456 -1.625 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.511 8.892 -3.067 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.421 8.232 -4.135 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.433 7.902 -2.558 1.00 0.00 C ATOM 0 H VAL A 69 -3.868 9.033 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.700 10.919 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.121 9.157 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.849 7.315 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.223 8.919 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.831 7.998 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.916 7.002 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.766 7.637 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.858 8.370 -1.759 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.616 10.772 -2.838 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.575 11.349 -1.958 1.00 0.00 C ATOM 1093 C ALA A 70 -1.489 12.868 -2.130 1.00 0.00 C ATOM 1094 O ALA A 70 -1.356 13.601 -1.156 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.215 10.708 -2.238 1.00 0.00 C ATOM 0 H ALA A 70 -2.236 10.276 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.856 11.137 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.536 11.146 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.274 9.635 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.064 10.885 -3.277 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.540 13.321 -3.391 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.477 14.755 -3.718 1.00 0.00 C ATOM 1103 C ARG A 71 -2.790 15.474 -3.348 1.00 0.00 C ATOM 1104 O ARG A 71 -2.764 16.651 -2.968 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.122 14.962 -5.214 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.186 14.477 -6.222 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.652 14.345 -7.660 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.050 15.594 -8.170 1.00 0.00 N ATOM 1109 CZ ARG A 71 -0.690 15.807 -9.447 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -0.935 14.906 -10.389 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -0.081 16.936 -9.774 1.00 0.00 N ATOM 0 H ARG A 71 -1.625 12.713 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.683 15.202 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.943 16.024 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.186 14.444 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.571 13.511 -5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.025 15.173 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.908 13.549 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.468 14.046 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.896 16.351 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.405 14.033 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.654 15.086 -11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.112 17.637 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.195 17.105 -10.741 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.933 14.758 -3.445 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.259 15.346 -3.168 1.00 0.00 C ATOM 1127 C GLU A 72 -5.635 15.238 -1.677 1.00 0.00 C ATOM 1128 O GLU A 72 -5.900 16.249 -1.020 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.336 14.629 -4.026 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.106 14.694 -5.547 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.090 16.122 -6.110 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.180 16.697 -6.314 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.999 16.681 -6.335 1.00 0.00 O ATOM 0 H GLU A 72 -3.962 13.774 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.214 16.404 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.381 13.582 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.308 15.067 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.158 14.210 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.889 14.124 -6.048 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.625 14.001 -1.155 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.137 13.674 0.197 1.00 0.00 C ATOM 1142 C GLU A 73 -5.008 13.653 1.242 1.00 0.00 C ATOM 1143 O GLU A 73 -5.199 14.098 2.379 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.863 12.297 0.168 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.958 12.166 -0.916 1.00 0.00 C ATOM 1146 CD GLU A 73 -9.080 13.214 -0.783 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.893 13.103 0.163 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.151 14.151 -1.613 1.00 0.00 O ATOM 0 H GLU A 73 -5.261 13.191 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.842 14.453 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.121 11.514 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.314 12.119 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.498 12.260 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.394 11.169 -0.862 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.831 13.119 0.857 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.693 13.001 1.777 1.00 0.00 C ATOM 1157 C GLY A 74 -1.821 14.251 1.795 1.00 0.00 C ATOM 1158 O GLY A 74 -2.222 15.304 1.279 1.00 0.00 O ATOM 0 H GLY A 74 -3.649 12.765 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.063 12.806 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.086 12.143 1.489 1.00 0.00 H new ATOM 1162 N THR A 75 -0.632 14.144 2.397 1.00 0.00 N ATOM 1163 CA THR A 75 0.337 15.249 2.462 1.00 0.00 C ATOM 1164 C THR A 75 1.288 15.220 1.248 1.00 0.00 C ATOM 1165 O THR A 75 1.289 14.264 0.455 1.00 0.00 O ATOM 1166 CB THR A 75 1.169 15.194 3.789 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.899 13.958 3.875 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.282 15.348 5.037 1.00 0.00 C ATOM 0 H THR A 75 -0.312 13.290 2.854 1.00 0.00 H new ATOM 0 HA THR A 75 -0.229 16.181 2.444 1.00 0.00 H new ATOM 0 HB THR A 75 1.864 16.033 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.285 13.868 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.902 15.304 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.234 16.307 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.452 14.542 5.064 1.00 0.00 H new ATOM 1176 N GLN A 76 2.103 16.285 1.123 1.00 0.00 N ATOM 1177 CA GLN A 76 3.132 16.394 0.076 1.00 0.00 C ATOM 1178 C GLN A 76 4.253 15.356 0.308 1.00 0.00 C ATOM 1179 O GLN A 76 4.908 14.915 -0.644 1.00 0.00 O ATOM 1180 CB GLN A 76 3.706 17.836 0.053 1.00 0.00 C ATOM 1181 CG GLN A 76 4.581 18.182 -1.184 1.00 0.00 C ATOM 1182 CD GLN A 76 3.810 18.575 -2.463 1.00 0.00 C ATOM 1183 OE1 GLN A 76 4.326 19.320 -3.292 1.00 0.00 O ATOM 1184 NE2 GLN A 76 2.580 18.109 -2.644 1.00 0.00 N ATOM 0 H GLN A 76 2.065 17.092 1.745 1.00 0.00 H new ATOM 0 HA GLN A 76 2.679 16.184 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.876 18.541 0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.302 17.987 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.246 19.003 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.211 17.322 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.161 17.491 -1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.054 18.369 -3.478 1.00 0.00 H new ATOM 1193 N LYS A 77 4.457 14.988 1.588 1.00 0.00 N ATOM 1194 CA LYS A 77 5.357 13.894 1.983 1.00 0.00 C ATOM 1195 C LYS A 77 4.882 12.568 1.366 1.00 0.00 C ATOM 1196 O LYS A 77 5.663 11.864 0.724 1.00 0.00 O ATOM 1197 CB LYS A 77 5.406 13.764 3.531 1.00 0.00 C ATOM 1198 CG LYS A 77 6.204 12.540 4.057 1.00 0.00 C ATOM 1199 CD LYS A 77 6.091 12.366 5.586 1.00 0.00 C ATOM 1200 CE LYS A 77 6.825 11.116 6.091 1.00 0.00 C ATOM 1201 NZ LYS A 77 8.275 11.162 5.767 1.00 0.00 N ATOM 0 H LYS A 77 3.999 15.444 2.377 1.00 0.00 H new ATOM 0 HA LYS A 77 6.358 14.121 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.846 14.672 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.385 13.704 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.842 11.637 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.254 12.652 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.499 13.248 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.039 12.303 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.696 11.029 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.380 10.227 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.761 10.372 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.403 11.083 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.676 12.063 6.098 1.00 0.00 H new ATOM 1215 N ASP A 78 3.575 12.278 1.543 1.00 0.00 N ATOM 1216 CA ASP A 78 2.938 11.022 1.079 1.00 0.00 C ATOM 1217 C ASP A 78 3.066 10.887 -0.440 1.00 0.00 C ATOM 1218 O ASP A 78 3.342 9.797 -0.962 1.00 0.00 O ATOM 1219 CB ASP A 78 1.439 10.977 1.496 1.00 0.00 C ATOM 1220 CG ASP A 78 1.215 10.849 3.016 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.983 10.124 3.685 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.254 11.450 3.548 1.00 0.00 O ATOM 0 H ASP A 78 2.927 12.910 2.014 1.00 0.00 H new ATOM 0 HA ASP A 78 3.453 10.185 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.946 11.882 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.958 10.136 0.996 1.00 0.00 H new ATOM 1227 N LEU A 79 2.871 12.026 -1.126 1.00 0.00 N ATOM 1228 CA LEU A 79 3.054 12.142 -2.582 1.00 0.00 C ATOM 1229 C LEU A 79 4.490 11.753 -2.975 1.00 0.00 C ATOM 1230 O LEU A 79 4.692 10.885 -3.829 1.00 0.00 O ATOM 1231 CB LEU A 79 2.713 13.589 -3.042 1.00 0.00 C ATOM 1232 CG LEU A 79 2.940 13.927 -4.555 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.110 13.005 -5.473 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.643 15.424 -4.830 1.00 0.00 C ATOM 0 H LEU A 79 2.580 12.897 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 79 2.376 11.454 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.667 13.782 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.308 14.282 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 79 3.989 13.744 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.293 13.269 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.400 11.968 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.050 13.127 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.806 15.639 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.607 15.643 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.307 16.043 -4.227 1.00 0.00 H new ATOM 1246 N SER A 80 5.465 12.364 -2.286 1.00 0.00 N ATOM 1247 CA SER A 80 6.899 12.184 -2.564 1.00 0.00 C ATOM 1248 C SER A 80 7.344 10.716 -2.366 1.00 0.00 C ATOM 1249 O SER A 80 8.160 10.205 -3.140 1.00 0.00 O ATOM 1250 CB SER A 80 7.715 13.134 -1.651 1.00 0.00 C ATOM 1251 OG SER A 80 9.107 13.102 -1.937 1.00 0.00 O ATOM 0 H SER A 80 5.279 13.003 -1.513 1.00 0.00 H new ATOM 0 HA SER A 80 7.084 12.431 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.346 14.153 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.555 12.857 -0.609 1.00 0.00 H new ATOM 0 HG SER A 80 9.578 13.717 -1.338 1.00 0.00 H new ATOM 1257 N GLU A 81 6.771 10.043 -1.346 1.00 0.00 N ATOM 1258 CA GLU A 81 7.152 8.667 -0.975 1.00 0.00 C ATOM 1259 C GLU A 81 6.656 7.636 -1.996 1.00 0.00 C ATOM 1260 O GLU A 81 7.360 6.678 -2.300 1.00 0.00 O ATOM 1261 CB GLU A 81 6.624 8.315 0.442 1.00 0.00 C ATOM 1262 CG GLU A 81 7.168 9.213 1.568 1.00 0.00 C ATOM 1263 CD GLU A 81 8.703 9.231 1.653 1.00 0.00 C ATOM 1264 OE1 GLU A 81 9.284 8.371 2.348 1.00 0.00 O ATOM 1265 OE2 GLU A 81 9.342 10.114 1.036 1.00 0.00 O ATOM 0 H GLU A 81 6.035 10.437 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 81 8.241 8.627 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.536 8.380 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.881 7.279 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.809 10.231 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.764 8.872 2.521 1.00 0.00 H new ATOM 1272 N LEU A 82 5.435 7.831 -2.506 1.00 0.00 N ATOM 1273 CA LEU A 82 4.823 6.912 -3.491 1.00 0.00 C ATOM 1274 C LEU A 82 5.450 7.062 -4.889 1.00 0.00 C ATOM 1275 O LEU A 82 5.536 6.081 -5.644 1.00 0.00 O ATOM 1276 CB LEU A 82 3.296 7.122 -3.511 1.00 0.00 C ATOM 1277 CG LEU A 82 2.591 6.700 -2.181 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.130 7.138 -2.139 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.710 5.182 -1.960 1.00 0.00 C ATOM 0 H LEU A 82 4.842 8.622 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 82 5.027 5.886 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.084 8.173 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.870 6.551 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 82 3.104 7.214 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.683 6.823 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.073 8.223 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.589 6.681 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.213 4.910 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.239 4.655 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.762 4.904 -1.904 1.00 0.00 H new ATOM 1291 N GLN A 83 5.895 8.289 -5.212 1.00 0.00 N ATOM 1292 CA GLN A 83 6.673 8.570 -6.433 1.00 0.00 C ATOM 1293 C GLN A 83 8.061 7.912 -6.332 1.00 0.00 C ATOM 1294 O GLN A 83 8.547 7.309 -7.290 1.00 0.00 O ATOM 1295 CB GLN A 83 6.820 10.096 -6.642 1.00 0.00 C ATOM 1296 CG GLN A 83 5.486 10.840 -6.859 1.00 0.00 C ATOM 1297 CD GLN A 83 5.623 12.356 -7.023 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.836 12.985 -7.730 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.595 12.958 -6.354 1.00 0.00 N ATOM 0 H GLN A 83 5.726 9.113 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 83 6.143 8.154 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.323 10.523 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.465 10.272 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.998 10.434 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.830 10.637 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.232 12.410 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.707 13.970 -6.417 1.00 0.00 H new ATOM 1308 N ASP A 84 8.670 8.032 -5.140 1.00 0.00 N ATOM 1309 CA ASP A 84 9.983 7.435 -4.829 1.00 0.00 C ATOM 1310 C ASP A 84 9.924 5.902 -4.918 1.00 0.00 C ATOM 1311 O ASP A 84 10.824 5.266 -5.479 1.00 0.00 O ATOM 1312 CB ASP A 84 10.446 7.857 -3.408 1.00 0.00 C ATOM 1313 CG ASP A 84 11.795 7.228 -2.989 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.850 7.792 -3.328 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.807 6.162 -2.324 1.00 0.00 O ATOM 0 H ASP A 84 8.264 8.549 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 84 10.700 7.800 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.533 8.943 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.681 7.573 -2.685 1.00 0.00 H new ATOM 1320 N ALA A 85 8.853 5.332 -4.347 1.00 0.00 N ATOM 1321 CA ALA A 85 8.678 3.885 -4.215 1.00 0.00 C ATOM 1322 C ALA A 85 8.435 3.204 -5.571 1.00 0.00 C ATOM 1323 O ALA A 85 8.892 2.075 -5.788 1.00 0.00 O ATOM 1324 CB ALA A 85 7.539 3.591 -3.234 1.00 0.00 C ATOM 0 H ALA A 85 8.078 5.871 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 85 9.604 3.466 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.411 2.513 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.779 4.016 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.615 4.034 -3.606 1.00 0.00 H new ATOM 1330 N LYS A 86 7.679 3.871 -6.470 1.00 0.00 N ATOM 1331 CA LYS A 86 7.463 3.340 -7.827 1.00 0.00 C ATOM 1332 C LYS A 86 8.744 3.384 -8.673 1.00 0.00 C ATOM 1333 O LYS A 86 9.023 2.423 -9.364 1.00 0.00 O ATOM 1334 CB LYS A 86 6.294 4.034 -8.580 1.00 0.00 C ATOM 1335 CG LYS A 86 6.528 5.498 -9.000 1.00 0.00 C ATOM 1336 CD LYS A 86 5.364 6.070 -9.837 1.00 0.00 C ATOM 1337 CE LYS A 86 5.147 5.326 -11.158 1.00 0.00 C ATOM 1338 NZ LYS A 86 6.318 5.435 -12.062 1.00 0.00 N ATOM 0 H LYS A 86 7.217 4.761 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 86 7.178 2.298 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.070 3.453 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.408 3.997 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.664 6.110 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.451 5.564 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.447 6.028 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.559 7.121 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.946 4.275 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.266 5.727 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.094 4.990 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.548 6.438 -12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.134 4.954 -11.633 1.00 0.00 H new ATOM 1352 N LEU A 87 9.526 4.493 -8.610 1.00 0.00 N ATOM 1353 CA LEU A 87 10.702 4.674 -9.497 1.00 0.00 C ATOM 1354 C LEU A 87 11.828 3.673 -9.159 1.00 0.00 C ATOM 1355 O LEU A 87 12.522 3.184 -10.064 1.00 0.00 O ATOM 1356 CB LEU A 87 11.181 6.171 -9.551 1.00 0.00 C ATOM 1357 CG LEU A 87 11.646 6.889 -8.227 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.079 6.503 -7.781 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.509 8.427 -8.353 1.00 0.00 C ATOM 0 H LEU A 87 9.366 5.265 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 87 10.388 4.438 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.009 6.223 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.365 6.759 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 87 10.977 6.533 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.330 7.035 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.127 5.429 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.789 6.773 -8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.836 8.899 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.127 8.781 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.467 8.685 -8.543 1.00 0.00 H new ATOM 1371 N LYS A 88 11.989 3.358 -7.854 1.00 0.00 N ATOM 1372 CA LYS A 88 12.957 2.337 -7.399 1.00 0.00 C ATOM 1373 C LYS A 88 12.488 0.935 -7.815 1.00 0.00 C ATOM 1374 O LYS A 88 13.292 0.116 -8.270 1.00 0.00 O ATOM 1375 CB LYS A 88 13.181 2.414 -5.859 1.00 0.00 C ATOM 1376 CG LYS A 88 11.920 2.192 -5.010 1.00 0.00 C ATOM 1377 CD LYS A 88 12.163 2.305 -3.497 1.00 0.00 C ATOM 1378 CE LYS A 88 13.018 1.169 -2.931 1.00 0.00 C ATOM 1379 NZ LYS A 88 12.300 -0.130 -3.006 1.00 0.00 N ATOM 0 H LYS A 88 11.461 3.796 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 88 13.914 2.540 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.926 1.670 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.598 3.391 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.164 2.920 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.514 1.205 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.650 3.257 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.202 2.317 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.954 1.103 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.276 1.386 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.069 -0.455 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.423 -0.011 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.905 -0.835 -3.474 1.00 0.00 H new ATOM 1393 N ALA A 89 11.174 0.676 -7.669 1.00 0.00 N ATOM 1394 CA ALA A 89 10.568 -0.601 -8.059 1.00 0.00 C ATOM 1395 C ALA A 89 10.630 -0.808 -9.594 1.00 0.00 C ATOM 1396 O ALA A 89 10.777 -1.931 -10.061 1.00 0.00 O ATOM 1397 CB ALA A 89 9.129 -0.688 -7.518 1.00 0.00 C ATOM 0 H ALA A 89 10.511 1.345 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 89 11.142 -1.414 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.687 -1.640 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.144 -0.616 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.536 0.130 -7.928 1.00 0.00 H new