USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.455 K(o=1.3,f=-4.7) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -171:sc= 0.844 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 168:sc= -0.0358 (180deg=-0.211) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.6!) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -23:sc= 0.558 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 34 ASN : amide:sc= -0.0733 K(o=-0.073,f=-2.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -159:sc= -0.794! USER MOD Single : A 46 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-8.3!) USER MOD Single : A 50 SER OG : rot 140:sc= 0 USER MOD Single : A 54 TYR OH : rot 2:sc= 1.23 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= 0.887 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 1.18 (180deg=1.09) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= 0.395 F(o=-4!,f=0.4) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.621 10.804 -4.122 1.00 0.00 N ATOM 36 CA LYS A 4 8.377 11.476 -3.861 1.00 0.00 C ATOM 37 C LYS A 4 8.521 12.345 -2.632 1.00 0.00 C ATOM 38 O LYS A 4 9.517 12.233 -1.921 1.00 0.00 O ATOM 39 CB LYS A 4 7.284 10.417 -3.668 1.00 0.00 C ATOM 40 CG LYS A 4 7.710 9.218 -2.834 1.00 0.00 C ATOM 41 CD LYS A 4 7.822 9.506 -1.351 1.00 0.00 C ATOM 42 CE LYS A 4 8.096 8.241 -0.575 1.00 0.00 C ATOM 43 NZ LYS A 4 9.282 7.505 -1.066 1.00 0.00 N ATOM 0 HA LYS A 4 8.103 12.120 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.421 10.885 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.959 10.066 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.992 8.411 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.673 8.860 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.622 10.225 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.899 9.963 -0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.240 8.491 0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.223 7.591 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.540 6.766 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.063 7.065 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.078 8.165 -1.180 1.00 0.00 H new ATOM 57 N HIS A 5 7.563 13.195 -2.377 1.00 0.00 N ATOM 58 CA HIS A 5 7.626 14.010 -1.175 1.00 0.00 C ATOM 59 C HIS A 5 6.821 13.366 -0.024 1.00 0.00 C ATOM 60 O HIS A 5 7.119 13.589 1.151 1.00 0.00 O ATOM 61 CB HIS A 5 7.169 15.474 -1.438 1.00 0.00 C ATOM 62 CG HIS A 5 5.691 15.660 -1.653 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.017 15.254 -2.773 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.755 16.176 -0.823 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.731 15.514 -2.607 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.508 16.081 -1.428 1.00 0.00 N ATOM 0 H HIS A 5 6.743 13.346 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 5 8.671 14.055 -0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.476 16.090 -0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.697 15.849 -2.315 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.436 14.823 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.947 16.595 0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.964 15.294 -3.335 1.00 0.00 H new ATOM 74 N SER A 6 5.817 12.555 -0.367 1.00 0.00 N ATOM 75 CA SER A 6 4.938 11.941 0.629 1.00 0.00 C ATOM 76 C SER A 6 4.164 10.795 -0.017 1.00 0.00 C ATOM 77 O SER A 6 4.456 10.434 -1.162 1.00 0.00 O ATOM 78 CB SER A 6 3.960 13.001 1.128 1.00 0.00 C ATOM 79 OG SER A 6 3.161 13.491 0.042 1.00 0.00 O ATOM 0 H SER A 6 5.593 12.308 -1.331 1.00 0.00 H new ATOM 0 HA SER A 6 5.524 11.552 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.317 12.578 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.508 13.825 1.586 1.00 0.00 H new ATOM 0 HG SER A 6 2.537 14.169 0.375 1.00 0.00 H new ATOM 85 N ILE A 7 3.205 10.204 0.707 1.00 0.00 N ATOM 86 CA ILE A 7 2.343 9.194 0.111 1.00 0.00 C ATOM 87 C ILE A 7 1.355 9.855 -0.864 1.00 0.00 C ATOM 88 O ILE A 7 0.969 9.268 -1.858 1.00 0.00 O ATOM 89 CB ILE A 7 1.560 8.328 1.151 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.797 7.211 0.417 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.612 9.180 1.985 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.042 6.278 1.311 1.00 0.00 C ATOM 0 H ILE A 7 3.014 10.407 1.688 1.00 0.00 H new ATOM 0 HA ILE A 7 3.005 8.509 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 7 2.275 7.879 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.097 7.667 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.507 6.632 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.084 8.546 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.182 9.936 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.109 9.669 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.464 5.525 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.735 5.789 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.696 6.840 1.883 1.00 0.00 H new ATOM 104 N SER A 8 0.995 11.113 -0.589 1.00 0.00 N ATOM 105 CA SER A 8 0.044 11.835 -1.418 1.00 0.00 C ATOM 106 C SER A 8 0.674 12.227 -2.747 1.00 0.00 C ATOM 107 O SER A 8 -0.005 12.734 -3.642 1.00 0.00 O ATOM 108 CB SER A 8 -0.503 13.074 -0.683 1.00 0.00 C ATOM 109 OG SER A 8 -1.445 13.784 -1.487 1.00 0.00 O ATOM 0 H SER A 8 1.352 11.647 0.204 1.00 0.00 H new ATOM 0 HA SER A 8 -0.795 11.170 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.977 12.766 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.322 13.735 -0.418 1.00 0.00 H new ATOM 0 HG SER A 8 -1.289 13.579 -2.432 1.00 0.00 H new ATOM 115 N ASP A 9 1.971 12.019 -2.850 1.00 0.00 N ATOM 116 CA ASP A 9 2.695 12.244 -4.089 1.00 0.00 C ATOM 117 C ASP A 9 2.278 11.157 -5.067 1.00 0.00 C ATOM 118 O ASP A 9 2.135 11.391 -6.268 1.00 0.00 O ATOM 119 CB ASP A 9 4.191 12.129 -3.827 1.00 0.00 C ATOM 120 CG ASP A 9 5.066 12.640 -4.954 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.081 12.057 -6.045 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.801 13.619 -4.719 1.00 0.00 O ATOM 0 H ASP A 9 2.554 11.690 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 9 2.476 13.234 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.432 12.680 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.435 11.083 -3.639 1.00 0.00 H new ATOM 127 N TYR A 10 2.039 9.974 -4.512 1.00 0.00 N ATOM 128 CA TYR A 10 1.640 8.819 -5.270 1.00 0.00 C ATOM 129 C TYR A 10 0.212 8.949 -5.683 1.00 0.00 C ATOM 130 O TYR A 10 -0.653 9.347 -4.889 1.00 0.00 O ATOM 131 CB TYR A 10 1.776 7.521 -4.451 1.00 0.00 C ATOM 132 CG TYR A 10 3.183 7.087 -4.128 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.902 7.681 -3.106 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.787 6.056 -4.838 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.164 7.272 -2.805 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.069 5.641 -4.538 1.00 0.00 C ATOM 137 CZ TYR A 10 5.753 6.253 -3.519 1.00 0.00 C ATOM 138 OH TYR A 10 7.043 5.850 -3.205 1.00 0.00 O ATOM 0 H TYR A 10 2.121 9.800 -3.510 1.00 0.00 H new ATOM 0 HA TYR A 10 2.297 8.766 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.232 7.647 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.286 6.716 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.454 8.483 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.245 5.572 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.706 7.749 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.529 4.842 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 10 7.312 5.120 -3.801 1.00 0.00 H new ATOM 148 N THR A 11 -0.039 8.649 -6.907 1.00 0.00 N ATOM 149 CA THR A 11 -1.367 8.582 -7.397 1.00 0.00 C ATOM 150 C THR A 11 -1.925 7.250 -6.908 1.00 0.00 C ATOM 151 O THR A 11 -1.150 6.310 -6.642 1.00 0.00 O ATOM 152 CB THR A 11 -1.350 8.613 -8.939 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.217 9.382 -9.389 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.605 9.260 -9.492 1.00 0.00 C ATOM 0 H THR A 11 0.678 8.442 -7.602 1.00 0.00 H new ATOM 0 HA THR A 11 -1.972 9.420 -7.051 1.00 0.00 H new ATOM 0 HB THR A 11 -1.292 7.584 -9.293 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.203 9.402 -10.369 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.562 9.266 -10.581 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.479 8.696 -9.167 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.678 10.284 -9.126 1.00 0.00 H new ATOM 162 N GLU A 12 -3.221 7.171 -6.789 1.00 0.00 N ATOM 163 CA GLU A 12 -3.896 5.991 -6.285 1.00 0.00 C ATOM 164 C GLU A 12 -3.490 4.737 -7.074 1.00 0.00 C ATOM 165 O GLU A 12 -3.159 3.715 -6.487 1.00 0.00 O ATOM 166 CB GLU A 12 -5.398 6.228 -6.315 1.00 0.00 C ATOM 167 CG GLU A 12 -6.245 5.155 -5.681 1.00 0.00 C ATOM 168 CD GLU A 12 -7.681 5.574 -5.649 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.037 6.407 -4.791 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.481 5.112 -6.496 1.00 0.00 O ATOM 0 H GLU A 12 -3.853 7.931 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.594 5.811 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.608 7.173 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.708 6.342 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.143 4.225 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.895 4.958 -4.668 1.00 0.00 H new ATOM 177 N ALA A 13 -3.441 4.848 -8.397 1.00 0.00 N ATOM 178 CA ALA A 13 -3.042 3.722 -9.244 1.00 0.00 C ATOM 179 C ALA A 13 -1.564 3.350 -9.055 1.00 0.00 C ATOM 180 O ALA A 13 -1.215 2.178 -9.099 1.00 0.00 O ATOM 181 CB ALA A 13 -3.329 4.008 -10.699 1.00 0.00 C ATOM 0 H ALA A 13 -3.671 5.701 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.640 2.866 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.023 3.155 -11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.397 4.183 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.775 4.893 -11.012 1.00 0.00 H new ATOM 187 N GLU A 14 -0.723 4.354 -8.812 1.00 0.00 N ATOM 188 CA GLU A 14 0.731 4.157 -8.596 1.00 0.00 C ATOM 189 C GLU A 14 0.966 3.412 -7.308 1.00 0.00 C ATOM 190 O GLU A 14 1.830 2.538 -7.219 1.00 0.00 O ATOM 191 CB GLU A 14 1.448 5.508 -8.526 1.00 0.00 C ATOM 192 CG GLU A 14 1.359 6.345 -9.785 1.00 0.00 C ATOM 193 CD GLU A 14 2.120 5.752 -10.932 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.351 5.924 -10.991 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.510 5.132 -11.806 1.00 0.00 O ATOM 0 H GLU A 14 -1.018 5.329 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 14 1.125 3.580 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.032 6.081 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.499 5.333 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.312 6.457 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.742 7.345 -9.579 1.00 0.00 H new ATOM 202 N PHE A 15 0.199 3.762 -6.315 1.00 0.00 N ATOM 203 CA PHE A 15 0.272 3.101 -5.046 1.00 0.00 C ATOM 204 C PHE A 15 -0.347 1.740 -5.168 1.00 0.00 C ATOM 205 O PHE A 15 0.052 0.825 -4.523 1.00 0.00 O ATOM 206 CB PHE A 15 -0.393 3.916 -3.958 1.00 0.00 C ATOM 207 CG PHE A 15 -0.172 3.363 -2.587 1.00 0.00 C ATOM 208 CD1 PHE A 15 -1.040 2.423 -2.054 1.00 0.00 C ATOM 209 CD2 PHE A 15 0.890 3.800 -1.820 1.00 0.00 C ATOM 210 CE1 PHE A 15 -0.849 1.933 -0.794 1.00 0.00 C ATOM 211 CE2 PHE A 15 1.089 3.302 -0.557 1.00 0.00 C ATOM 212 CZ PHE A 15 0.215 2.370 -0.046 1.00 0.00 C ATOM 0 H PHE A 15 -0.492 4.511 -6.363 1.00 0.00 H new ATOM 0 HA PHE A 15 1.318 2.994 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.014 4.937 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.464 3.966 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.876 2.074 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.569 4.540 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.534 1.203 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.928 3.640 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.367 1.980 0.950 1.00 0.00 H new ATOM 222 N LEU A 16 -1.322 1.613 -5.991 1.00 0.00 N ATOM 223 CA LEU A 16 -1.914 0.323 -6.213 1.00 0.00 C ATOM 224 C LEU A 16 -0.921 -0.598 -6.919 1.00 0.00 C ATOM 225 O LEU A 16 -0.979 -1.815 -6.808 1.00 0.00 O ATOM 226 CB LEU A 16 -3.247 0.485 -6.924 1.00 0.00 C ATOM 227 CG LEU A 16 -4.109 -0.733 -7.036 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.549 -0.317 -7.122 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.775 -1.536 -8.253 1.00 0.00 C ATOM 0 H LEU A 16 -1.734 2.377 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.140 -0.167 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.816 1.256 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.052 0.855 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.932 -1.348 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.179 -1.203 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.821 0.240 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.694 0.314 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.422 -2.412 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.925 -0.926 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.734 -1.856 -8.204 1.00 0.00 H new ATOM 241 N GLU A 17 -0.020 -0.011 -7.611 1.00 0.00 N ATOM 242 CA GLU A 17 1.082 -0.747 -8.146 1.00 0.00 C ATOM 243 C GLU A 17 2.102 -1.105 -7.051 1.00 0.00 C ATOM 244 O GLU A 17 2.886 -2.004 -7.249 1.00 0.00 O ATOM 245 CB GLU A 17 1.759 -0.100 -9.357 1.00 0.00 C ATOM 246 CG GLU A 17 0.862 0.020 -10.573 1.00 0.00 C ATOM 247 CD GLU A 17 1.642 0.219 -11.849 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.162 1.328 -12.094 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.750 -0.738 -12.644 1.00 0.00 O ATOM 0 H GLU A 17 -0.016 0.986 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 17 0.645 -1.668 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.109 0.894 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.639 -0.685 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.252 -0.879 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.178 0.857 -10.435 1.00 0.00 H new ATOM 256 N PHE A 18 2.079 -0.386 -5.886 1.00 0.00 N ATOM 257 CA PHE A 18 3.000 -0.694 -4.725 1.00 0.00 C ATOM 258 C PHE A 18 2.860 -2.140 -4.387 1.00 0.00 C ATOM 259 O PHE A 18 3.820 -2.877 -4.330 1.00 0.00 O ATOM 260 CB PHE A 18 2.692 0.188 -3.395 1.00 0.00 C ATOM 261 CG PHE A 18 1.983 -0.520 -2.143 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.589 -0.729 -2.080 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.729 -0.964 -1.050 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.010 -1.358 -0.965 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.124 -1.583 0.047 1.00 0.00 C ATOM 266 CZ PHE A 18 0.765 -1.777 0.083 1.00 0.00 C ATOM 0 H PHE A 18 1.448 0.398 -5.720 1.00 0.00 H new ATOM 0 HA PHE A 18 4.012 -0.441 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.639 0.602 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.068 1.030 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.033 -0.402 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.800 -0.826 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.079 -1.508 -0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.732 -1.913 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.309 -2.259 0.935 1.00 0.00 H new ATOM 276 N VAL A 19 1.641 -2.535 -4.256 1.00 0.00 N ATOM 277 CA VAL A 19 1.304 -3.852 -3.829 1.00 0.00 C ATOM 278 C VAL A 19 1.570 -4.880 -4.917 1.00 0.00 C ATOM 279 O VAL A 19 2.009 -5.991 -4.637 1.00 0.00 O ATOM 280 CB VAL A 19 -0.149 -3.911 -3.312 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.135 -3.539 -4.377 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.470 -5.236 -2.666 1.00 0.00 C ATOM 0 H VAL A 19 0.834 -1.941 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 19 1.955 -4.110 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.239 -3.159 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.146 -3.593 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.935 -2.524 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.043 -4.229 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.503 -5.230 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.337 -6.037 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.197 -5.399 -1.820 1.00 0.00 H new ATOM 292 N LYS A 20 1.345 -4.493 -6.152 1.00 0.00 N ATOM 293 CA LYS A 20 1.602 -5.381 -7.258 1.00 0.00 C ATOM 294 C LYS A 20 3.119 -5.585 -7.410 1.00 0.00 C ATOM 295 O LYS A 20 3.598 -6.677 -7.710 1.00 0.00 O ATOM 296 CB LYS A 20 0.987 -4.849 -8.538 1.00 0.00 C ATOM 297 CG LYS A 20 -0.516 -4.703 -8.436 1.00 0.00 C ATOM 298 CD LYS A 20 -1.127 -4.514 -9.782 1.00 0.00 C ATOM 299 CE LYS A 20 -2.626 -4.397 -9.738 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.225 -4.416 -11.093 1.00 0.00 N ATOM 0 H LYS A 20 0.987 -3.574 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 20 1.137 -6.346 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.428 -3.881 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.229 -5.521 -9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.940 -5.588 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.760 -3.853 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.712 -3.616 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.853 -5.354 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.036 -5.217 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.903 -3.472 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.259 -4.333 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.854 -3.619 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.983 -5.310 -11.567 1.00 0.00 H new ATOM 314 N LYS A 21 3.852 -4.518 -7.125 1.00 0.00 N ATOM 315 CA LYS A 21 5.309 -4.500 -7.107 1.00 0.00 C ATOM 316 C LYS A 21 5.815 -5.438 -6.012 1.00 0.00 C ATOM 317 O LYS A 21 6.820 -6.101 -6.176 1.00 0.00 O ATOM 318 CB LYS A 21 5.795 -3.056 -6.849 1.00 0.00 C ATOM 319 CG LYS A 21 7.300 -2.862 -6.777 1.00 0.00 C ATOM 320 CD LYS A 21 7.660 -1.433 -6.355 1.00 0.00 C ATOM 321 CE LYS A 21 7.230 -0.387 -7.385 1.00 0.00 C ATOM 322 NZ LYS A 21 7.511 1.001 -6.932 1.00 0.00 N ATOM 0 H LYS A 21 3.438 -3.615 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 21 5.699 -4.839 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.404 -2.416 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.359 -2.709 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.726 -3.571 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.743 -3.079 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.187 -1.211 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.737 -1.364 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.749 -0.572 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.163 -0.493 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.203 1.674 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.996 1.189 -6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.532 1.113 -6.768 1.00 0.00 H new ATOM 336 N ILE A 22 5.086 -5.490 -4.918 1.00 0.00 N ATOM 337 CA ILE A 22 5.411 -6.368 -3.807 1.00 0.00 C ATOM 338 C ILE A 22 5.048 -7.819 -4.149 1.00 0.00 C ATOM 339 O ILE A 22 5.751 -8.753 -3.793 1.00 0.00 O ATOM 340 CB ILE A 22 4.722 -5.900 -2.500 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.174 -4.473 -2.191 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.081 -6.826 -1.340 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.535 -3.857 -0.989 1.00 0.00 C ATOM 0 H ILE A 22 4.250 -4.925 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 22 6.486 -6.321 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 22 3.640 -5.928 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.255 -4.472 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.965 -3.846 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.587 -6.480 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.752 -7.840 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.161 -6.820 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.918 -2.846 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.455 -3.819 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.765 -4.456 -0.108 1.00 0.00 H new ATOM 355 N CYS A 23 3.986 -7.990 -4.890 1.00 0.00 N ATOM 356 CA CYS A 23 3.565 -9.307 -5.323 1.00 0.00 C ATOM 357 C CYS A 23 4.621 -9.929 -6.265 1.00 0.00 C ATOM 358 O CYS A 23 4.798 -11.149 -6.307 1.00 0.00 O ATOM 359 CB CYS A 23 2.194 -9.223 -6.008 1.00 0.00 C ATOM 360 SG CYS A 23 1.505 -10.813 -6.506 1.00 0.00 S ATOM 0 H CYS A 23 3.388 -7.229 -5.212 1.00 0.00 H new ATOM 0 HA CYS A 23 3.472 -9.954 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.493 -8.734 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.281 -8.588 -6.889 1.00 0.00 H new ATOM 0 HG CYS A 23 0.349 -10.627 -7.071 1.00 0.00 H new ATOM 366 N ARG A 24 5.314 -9.081 -7.011 1.00 0.00 N ATOM 367 CA ARG A 24 6.369 -9.516 -7.921 1.00 0.00 C ATOM 368 C ARG A 24 7.770 -9.306 -7.295 1.00 0.00 C ATOM 369 O ARG A 24 8.802 -9.533 -7.952 1.00 0.00 O ATOM 370 CB ARG A 24 6.272 -8.765 -9.242 1.00 0.00 C ATOM 371 CG ARG A 24 6.565 -7.306 -9.108 1.00 0.00 C ATOM 372 CD ARG A 24 6.469 -6.590 -10.411 1.00 0.00 C ATOM 373 NE ARG A 24 6.977 -5.219 -10.279 1.00 0.00 N ATOM 374 CZ ARG A 24 6.524 -4.152 -10.951 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.474 -4.262 -11.761 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.120 -2.972 -10.792 1.00 0.00 N ATOM 0 H ARG A 24 5.163 -8.072 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 24 6.233 -10.582 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.968 -9.206 -9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.271 -8.892 -9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.867 -6.861 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.566 -7.175 -8.696 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.040 -7.125 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.432 -6.570 -10.747 1.00 0.00 H new ATOM 0 HE ARG A 24 7.740 -5.066 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.009 -5.163 -11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.134 -3.446 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.917 -2.884 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.780 -2.156 -11.301 1.00 0.00 H new ATOM 390 N ALA A 25 7.791 -8.913 -6.023 1.00 0.00 N ATOM 391 CA ALA A 25 9.006 -8.511 -5.270 1.00 0.00 C ATOM 392 C ALA A 25 9.943 -9.651 -4.912 1.00 0.00 C ATOM 393 O ALA A 25 10.670 -9.546 -3.916 1.00 0.00 O ATOM 394 CB ALA A 25 8.659 -7.716 -4.037 1.00 0.00 C ATOM 0 H ALA A 25 6.943 -8.859 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 25 9.557 -7.880 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.574 -7.440 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.120 -6.814 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.032 -8.319 -3.380 1.00 0.00 H new ATOM 400 N GLU A 26 9.880 -10.750 -5.663 1.00 0.00 N ATOM 401 CA GLU A 26 10.800 -11.884 -5.499 1.00 0.00 C ATOM 402 C GLU A 26 12.230 -11.347 -5.323 1.00 0.00 C ATOM 403 O GLU A 26 12.919 -11.699 -4.357 1.00 0.00 O ATOM 404 CB GLU A 26 10.761 -12.779 -6.743 1.00 0.00 C ATOM 405 CG GLU A 26 9.377 -13.286 -7.122 1.00 0.00 C ATOM 406 CD GLU A 26 8.703 -14.048 -6.012 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.238 -15.082 -5.570 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.634 -13.622 -5.562 1.00 0.00 O ATOM 0 H GLU A 26 9.191 -10.883 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 26 10.499 -12.464 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.172 -12.224 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.414 -13.636 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.752 -12.440 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.459 -13.929 -7.998 1.00 0.00 H new ATOM 415 N GLY A 27 12.627 -10.464 -6.257 1.00 0.00 N ATOM 416 CA GLY A 27 13.895 -9.757 -6.196 1.00 0.00 C ATOM 417 C GLY A 27 15.073 -10.650 -5.937 1.00 0.00 C ATOM 418 O GLY A 27 15.229 -11.690 -6.584 1.00 0.00 O ATOM 0 H GLY A 27 12.066 -10.228 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.051 -9.228 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.843 -9.003 -5.411 1.00 0.00 H new ATOM 422 N ALA A 28 15.907 -10.233 -5.020 1.00 0.00 N ATOM 423 CA ALA A 28 17.039 -11.024 -4.618 1.00 0.00 C ATOM 424 C ALA A 28 16.605 -12.073 -3.601 1.00 0.00 C ATOM 425 O ALA A 28 16.969 -13.242 -3.693 1.00 0.00 O ATOM 426 CB ALA A 28 18.128 -10.132 -4.038 1.00 0.00 C ATOM 0 H ALA A 28 15.821 -9.341 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 28 17.445 -11.533 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.978 -10.744 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.447 -9.411 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.739 -9.601 -3.169 1.00 0.00 H new ATOM 432 N THR A 29 15.826 -11.646 -2.627 1.00 0.00 N ATOM 433 CA THR A 29 15.332 -12.499 -1.557 1.00 0.00 C ATOM 434 C THR A 29 14.063 -11.807 -1.007 1.00 0.00 C ATOM 435 O THR A 29 13.869 -10.612 -1.278 1.00 0.00 O ATOM 436 CB THR A 29 16.416 -12.629 -0.434 1.00 0.00 C ATOM 437 OG1 THR A 29 17.699 -12.912 -1.029 1.00 0.00 O ATOM 438 CG2 THR A 29 16.089 -13.758 0.536 1.00 0.00 C ATOM 0 H THR A 29 15.511 -10.679 -2.553 1.00 0.00 H new ATOM 0 HA THR A 29 15.109 -13.505 -1.914 1.00 0.00 H new ATOM 0 HB THR A 29 16.435 -11.685 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.376 -12.991 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.864 -13.817 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.126 -13.564 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.043 -14.702 -0.007 1.00 0.00 H new ATOM 446 N GLU A 30 13.236 -12.506 -0.224 1.00 0.00 N ATOM 447 CA GLU A 30 11.940 -11.956 0.244 1.00 0.00 C ATOM 448 C GLU A 30 12.103 -10.810 1.261 1.00 0.00 C ATOM 449 O GLU A 30 11.124 -10.190 1.683 1.00 0.00 O ATOM 450 CB GLU A 30 10.977 -13.052 0.776 1.00 0.00 C ATOM 451 CG GLU A 30 11.257 -13.591 2.178 1.00 0.00 C ATOM 452 CD GLU A 30 12.636 -14.146 2.363 1.00 0.00 C ATOM 453 OE1 GLU A 30 12.868 -15.334 2.028 1.00 0.00 O ATOM 454 OE2 GLU A 30 13.503 -13.415 2.850 1.00 0.00 O ATOM 0 H GLU A 30 13.431 -13.452 0.104 1.00 0.00 H new ATOM 0 HA GLU A 30 11.476 -11.526 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.964 -12.650 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.997 -13.890 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.101 -12.790 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.531 -14.371 2.406 1.00 0.00 H new ATOM 461 N GLU A 31 13.324 -10.542 1.657 1.00 0.00 N ATOM 462 CA GLU A 31 13.598 -9.397 2.495 1.00 0.00 C ATOM 463 C GLU A 31 13.445 -8.109 1.689 1.00 0.00 C ATOM 464 O GLU A 31 13.070 -7.099 2.232 1.00 0.00 O ATOM 465 CB GLU A 31 14.986 -9.461 3.110 1.00 0.00 C ATOM 466 CG GLU A 31 16.101 -9.696 2.115 1.00 0.00 C ATOM 467 CD GLU A 31 17.445 -9.353 2.681 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.810 -9.867 3.748 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.142 -8.515 2.089 1.00 0.00 O ATOM 0 H GLU A 31 14.143 -11.099 1.414 1.00 0.00 H new ATOM 0 HA GLU A 31 12.875 -9.407 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.179 -8.528 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.004 -10.259 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.095 -10.741 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.921 -9.098 1.222 1.00 0.00 H new ATOM 476 N ASP A 32 13.703 -8.187 0.372 1.00 0.00 N ATOM 477 CA ASP A 32 13.582 -7.026 -0.542 1.00 0.00 C ATOM 478 C ASP A 32 12.104 -6.649 -0.611 1.00 0.00 C ATOM 479 O ASP A 32 11.731 -5.468 -0.642 1.00 0.00 O ATOM 480 CB ASP A 32 14.095 -7.415 -1.948 1.00 0.00 C ATOM 481 CG ASP A 32 14.307 -6.233 -2.877 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.333 -5.660 -3.400 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.476 -5.873 -3.121 1.00 0.00 O ATOM 0 H ASP A 32 13.999 -9.046 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 32 14.174 -6.185 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.036 -7.955 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.383 -8.101 -2.406 1.00 0.00 H new ATOM 488 N ASP A 33 11.288 -7.693 -0.574 1.00 0.00 N ATOM 489 CA ASP A 33 9.821 -7.613 -0.505 1.00 0.00 C ATOM 490 C ASP A 33 9.414 -6.823 0.725 1.00 0.00 C ATOM 491 O ASP A 33 8.809 -5.756 0.621 1.00 0.00 O ATOM 492 CB ASP A 33 9.266 -9.046 -0.411 1.00 0.00 C ATOM 493 CG ASP A 33 7.770 -9.162 -0.143 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.341 -9.004 1.029 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.036 -9.516 -1.068 1.00 0.00 O ATOM 0 H ASP A 33 11.632 -8.653 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 33 9.425 -7.115 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.490 -9.564 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.800 -9.571 0.381 1.00 0.00 H new ATOM 500 N ASN A 34 9.829 -7.325 1.884 1.00 0.00 N ATOM 501 CA ASN A 34 9.534 -6.723 3.187 1.00 0.00 C ATOM 502 C ASN A 34 10.099 -5.299 3.244 1.00 0.00 C ATOM 503 O ASN A 34 9.481 -4.399 3.782 1.00 0.00 O ATOM 504 CB ASN A 34 10.156 -7.611 4.278 1.00 0.00 C ATOM 505 CG ASN A 34 9.810 -7.257 5.726 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.527 -6.124 6.084 1.00 0.00 O ATOM 507 ND2 ASN A 34 9.866 -8.236 6.573 1.00 0.00 N ATOM 0 H ASN A 34 10.389 -8.175 1.949 1.00 0.00 H new ATOM 0 HA ASN A 34 8.457 -6.657 3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.849 -8.641 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.240 -7.578 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.672 -8.068 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.104 -9.175 6.253 1.00 0.00 H new ATOM 514 N LYS A 35 11.247 -5.109 2.621 1.00 0.00 N ATOM 515 CA LYS A 35 11.927 -3.855 2.537 1.00 0.00 C ATOM 516 C LYS A 35 11.046 -2.812 1.844 1.00 0.00 C ATOM 517 O LYS A 35 10.959 -1.661 2.293 1.00 0.00 O ATOM 518 CB LYS A 35 13.199 -4.091 1.748 1.00 0.00 C ATOM 519 CG LYS A 35 14.486 -3.875 2.499 1.00 0.00 C ATOM 520 CD LYS A 35 14.663 -2.431 2.845 1.00 0.00 C ATOM 521 CE LYS A 35 15.946 -2.205 3.610 1.00 0.00 C ATOM 522 NZ LYS A 35 16.116 -0.791 3.996 1.00 0.00 N ATOM 0 H LYS A 35 11.741 -5.863 2.144 1.00 0.00 H new ATOM 0 HA LYS A 35 12.157 -3.472 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.187 -5.114 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.193 -3.433 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.486 -4.474 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.327 -4.214 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.671 -1.834 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.816 -2.091 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.950 -2.828 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.793 -2.519 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.008 -0.679 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.138 -0.198 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.322 -0.498 4.600 1.00 0.00 H new ATOM 536 N LEU A 36 10.393 -3.222 0.756 1.00 0.00 N ATOM 537 CA LEU A 36 9.450 -2.354 0.050 1.00 0.00 C ATOM 538 C LEU A 36 8.288 -2.063 0.954 1.00 0.00 C ATOM 539 O LEU A 36 7.894 -0.914 1.132 1.00 0.00 O ATOM 540 CB LEU A 36 8.921 -3.006 -1.238 1.00 0.00 C ATOM 541 CG LEU A 36 9.925 -3.245 -2.358 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.259 -3.982 -3.504 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.494 -1.925 -2.848 1.00 0.00 C ATOM 0 H LEU A 36 10.500 -4.149 0.345 1.00 0.00 H new ATOM 0 HA LEU A 36 9.976 -1.440 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.475 -3.965 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.120 -2.379 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 36 10.742 -3.855 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.985 -4.148 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.883 -4.942 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.430 -3.386 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.210 -2.112 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.686 -1.297 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.995 -1.417 -2.024 1.00 0.00 H new ATOM 555 N VAL A 37 7.779 -3.116 1.564 1.00 0.00 N ATOM 556 CA VAL A 37 6.656 -3.026 2.468 1.00 0.00 C ATOM 557 C VAL A 37 6.931 -1.992 3.573 1.00 0.00 C ATOM 558 O VAL A 37 6.099 -1.149 3.855 1.00 0.00 O ATOM 559 CB VAL A 37 6.333 -4.398 3.126 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.125 -4.259 3.996 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.071 -5.466 2.088 1.00 0.00 C ATOM 0 H VAL A 37 8.138 -4.063 1.443 1.00 0.00 H new ATOM 0 HA VAL A 37 5.796 -2.713 1.876 1.00 0.00 H new ATOM 0 HB VAL A 37 7.199 -4.699 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.897 -5.220 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.319 -3.520 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.277 -3.936 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.849 -6.410 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.222 -5.173 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.953 -5.586 1.459 1.00 0.00 H new ATOM 571 N ARG A 38 8.122 -2.036 4.137 1.00 0.00 N ATOM 572 CA ARG A 38 8.488 -1.146 5.227 1.00 0.00 C ATOM 573 C ARG A 38 8.474 0.325 4.829 1.00 0.00 C ATOM 574 O ARG A 38 8.058 1.168 5.619 1.00 0.00 O ATOM 575 CB ARG A 38 9.842 -1.507 5.845 1.00 0.00 C ATOM 576 CG ARG A 38 9.932 -2.919 6.410 1.00 0.00 C ATOM 577 CD ARG A 38 8.774 -3.242 7.347 1.00 0.00 C ATOM 578 NE ARG A 38 8.660 -2.282 8.446 1.00 0.00 N ATOM 579 CZ ARG A 38 7.530 -1.983 9.100 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.377 -2.593 8.788 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.558 -1.081 10.073 1.00 0.00 N ATOM 0 H ARG A 38 8.859 -2.683 3.857 1.00 0.00 H new ATOM 0 HA ARG A 38 7.714 -1.292 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.615 -1.384 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.062 -0.797 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.943 -3.636 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.874 -3.034 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.843 -3.253 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.910 -4.243 7.756 1.00 0.00 H new ATOM 0 HE ARG A 38 9.511 -1.801 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.355 -3.293 8.046 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.523 -2.357 9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.435 -0.622 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.702 -0.847 10.576 1.00 0.00 H new ATOM 595 N GLU A 39 8.899 0.642 3.617 1.00 0.00 N ATOM 596 CA GLU A 39 8.925 2.041 3.214 1.00 0.00 C ATOM 597 C GLU A 39 7.522 2.525 2.929 1.00 0.00 C ATOM 598 O GLU A 39 7.160 3.640 3.314 1.00 0.00 O ATOM 599 CB GLU A 39 9.870 2.318 2.026 1.00 0.00 C ATOM 600 CG GLU A 39 9.439 1.742 0.689 1.00 0.00 C ATOM 601 CD GLU A 39 10.419 2.045 -0.403 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.359 1.255 -0.613 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.283 3.085 -1.069 1.00 0.00 O ATOM 0 H GLU A 39 9.221 -0.024 2.915 1.00 0.00 H new ATOM 0 HA GLU A 39 9.335 2.607 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.979 3.397 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.855 1.921 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.324 0.662 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.463 2.145 0.420 1.00 0.00 H new ATOM 610 N PHE A 40 6.722 1.669 2.313 1.00 0.00 N ATOM 611 CA PHE A 40 5.357 2.003 1.995 1.00 0.00 C ATOM 612 C PHE A 40 4.512 2.109 3.254 1.00 0.00 C ATOM 613 O PHE A 40 3.719 3.029 3.388 1.00 0.00 O ATOM 614 CB PHE A 40 4.753 1.017 0.991 1.00 0.00 C ATOM 615 CG PHE A 40 5.318 1.119 -0.415 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.092 2.248 -1.192 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.042 0.074 -0.967 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.580 2.327 -2.487 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.536 0.148 -2.255 1.00 0.00 C ATOM 620 CZ PHE A 40 6.306 1.272 -3.017 1.00 0.00 C ATOM 0 H PHE A 40 7.005 0.732 2.024 1.00 0.00 H new ATOM 0 HA PHE A 40 5.361 2.983 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.910 0.003 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.676 1.177 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.529 3.074 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.223 -0.814 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.395 3.209 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.102 -0.675 -2.664 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.690 1.331 -4.025 1.00 0.00 H new ATOM 630 N GLU A 41 4.746 1.219 4.197 1.00 0.00 N ATOM 631 CA GLU A 41 4.021 1.216 5.454 1.00 0.00 C ATOM 632 C GLU A 41 4.315 2.394 6.364 1.00 0.00 C ATOM 633 O GLU A 41 3.559 2.694 7.279 1.00 0.00 O ATOM 634 CB GLU A 41 4.106 -0.127 6.151 1.00 0.00 C ATOM 635 CG GLU A 41 3.103 -1.068 5.539 1.00 0.00 C ATOM 636 CD GLU A 41 1.760 -0.420 5.603 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.214 -0.368 6.708 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.247 0.055 4.579 1.00 0.00 O ATOM 0 H GLU A 41 5.442 0.478 4.115 1.00 0.00 H new ATOM 0 HA GLU A 41 2.976 1.366 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.112 -0.536 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.909 -0.010 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.370 -1.289 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.094 -2.016 6.076 1.00 0.00 H new ATOM 645 N ARG A 42 5.401 3.075 6.115 1.00 0.00 N ATOM 646 CA ARG A 42 5.714 4.297 6.856 1.00 0.00 C ATOM 647 C ARG A 42 5.047 5.479 6.191 1.00 0.00 C ATOM 648 O ARG A 42 4.820 6.514 6.813 1.00 0.00 O ATOM 649 CB ARG A 42 7.218 4.497 6.953 1.00 0.00 C ATOM 650 CG ARG A 42 7.908 3.430 7.767 1.00 0.00 C ATOM 651 CD ARG A 42 9.425 3.557 7.709 1.00 0.00 C ATOM 652 NE ARG A 42 9.912 4.857 8.205 1.00 0.00 N ATOM 653 CZ ARG A 42 11.203 5.209 8.304 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.161 4.380 7.910 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.530 6.400 8.784 1.00 0.00 N ATOM 0 H ARG A 42 6.091 2.817 5.409 1.00 0.00 H new ATOM 0 HA ARG A 42 5.330 4.207 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.642 4.510 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.421 5.472 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.578 3.496 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.613 2.447 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.874 2.758 8.299 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.757 3.419 6.680 1.00 0.00 H new ATOM 0 HE ARG A 42 9.214 5.542 8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.919 3.466 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.139 4.657 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.800 7.049 9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.511 6.668 8.859 1.00 0.00 H new ATOM 669 N LEU A 43 4.717 5.302 4.936 1.00 0.00 N ATOM 670 CA LEU A 43 4.041 6.318 4.169 1.00 0.00 C ATOM 671 C LEU A 43 2.558 6.290 4.499 1.00 0.00 C ATOM 672 O LEU A 43 1.909 7.331 4.597 1.00 0.00 O ATOM 673 CB LEU A 43 4.263 6.077 2.671 1.00 0.00 C ATOM 674 CG LEU A 43 5.708 6.127 2.193 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.795 5.741 0.725 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.290 7.514 2.416 1.00 0.00 C ATOM 0 H LEU A 43 4.910 4.446 4.416 1.00 0.00 H new ATOM 0 HA LEU A 43 4.444 7.298 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.850 5.101 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.691 6.820 2.115 1.00 0.00 H new ATOM 0 HG LEU A 43 6.291 5.410 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.834 5.782 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.412 4.729 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.201 6.435 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.323 7.535 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.706 8.247 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.258 7.755 3.478 1.00 0.00 H new ATOM 688 N THR A 44 2.051 5.100 4.710 1.00 0.00 N ATOM 689 CA THR A 44 0.660 4.886 5.017 1.00 0.00 C ATOM 690 C THR A 44 0.394 5.072 6.479 1.00 0.00 C ATOM 691 O THR A 44 -0.680 5.566 6.869 1.00 0.00 O ATOM 692 CB THR A 44 0.291 3.463 4.638 1.00 0.00 C ATOM 693 OG1 THR A 44 1.253 2.590 5.212 1.00 0.00 O ATOM 694 CG2 THR A 44 0.313 3.325 3.155 1.00 0.00 C ATOM 0 H THR A 44 2.601 4.242 4.673 1.00 0.00 H new ATOM 0 HA THR A 44 0.067 5.610 4.458 1.00 0.00 H new ATOM 0 HB THR A 44 -0.707 3.218 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.252 1.738 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.048 2.304 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.405 4.017 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.312 3.553 2.783 1.00 0.00 H new ATOM 702 N GLU A 45 1.391 4.655 7.287 1.00 0.00 N ATOM 703 CA GLU A 45 1.305 4.611 8.734 1.00 0.00 C ATOM 704 C GLU A 45 0.235 3.593 9.094 1.00 0.00 C ATOM 705 O GLU A 45 -0.362 3.634 10.182 1.00 0.00 O ATOM 706 CB GLU A 45 0.958 5.976 9.329 1.00 0.00 C ATOM 707 CG GLU A 45 1.944 7.082 9.054 1.00 0.00 C ATOM 708 CD GLU A 45 1.541 8.355 9.751 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.775 8.484 10.974 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.917 9.238 9.108 1.00 0.00 O ATOM 0 H GLU A 45 2.291 4.336 6.929 1.00 0.00 H new ATOM 0 HA GLU A 45 2.274 4.329 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.016 6.281 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.857 5.865 10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.937 6.780 9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.009 7.257 7.980 1.00 0.00 H new ATOM 717 N HIS A 46 0.041 2.642 8.190 1.00 0.00 N ATOM 718 CA HIS A 46 -1.013 1.702 8.314 1.00 0.00 C ATOM 719 C HIS A 46 -0.599 0.557 9.285 1.00 0.00 C ATOM 720 O HIS A 46 0.538 0.116 9.305 1.00 0.00 O ATOM 721 CB HIS A 46 -1.493 1.211 6.903 1.00 0.00 C ATOM 722 CG HIS A 46 -2.760 0.421 6.945 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.836 -0.857 7.406 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.031 0.818 6.749 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.120 -1.181 7.524 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.892 -0.205 7.123 1.00 0.00 N ATOM 0 H HIS A 46 0.620 2.519 7.360 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.884 2.179 8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.635 2.076 6.255 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.709 0.602 6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.333 1.780 6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.479 -2.127 7.902 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.911 -0.197 7.092 1.00 0.00 H new ATOM 734 N PRO A 47 -1.510 0.152 10.161 1.00 0.00 N ATOM 735 CA PRO A 47 -1.265 -0.867 11.188 1.00 0.00 C ATOM 736 C PRO A 47 -1.044 -2.248 10.676 1.00 0.00 C ATOM 737 O PRO A 47 -0.173 -2.965 11.141 1.00 0.00 O ATOM 738 CB PRO A 47 -2.548 -0.864 11.980 1.00 0.00 C ATOM 739 CG PRO A 47 -3.560 -0.192 11.153 1.00 0.00 C ATOM 740 CD PRO A 47 -2.835 0.723 10.277 1.00 0.00 C ATOM 0 HA PRO A 47 -0.352 -0.625 11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.857 -1.882 12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.415 -0.342 12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.130 -0.917 10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.273 0.349 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.318 0.804 9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.797 1.728 10.698 1.00 0.00 H new ATOM 748 N ASP A 48 -1.830 -2.623 9.735 1.00 0.00 N ATOM 749 CA ASP A 48 -1.822 -3.965 9.272 1.00 0.00 C ATOM 750 C ASP A 48 -1.370 -3.954 7.876 1.00 0.00 C ATOM 751 O ASP A 48 -1.589 -4.884 7.163 1.00 0.00 O ATOM 752 CB ASP A 48 -3.220 -4.591 9.303 1.00 0.00 C ATOM 753 CG ASP A 48 -3.872 -4.600 10.648 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.465 -5.374 11.525 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.843 -3.851 10.839 1.00 0.00 O ATOM 0 H ASP A 48 -2.496 -2.012 9.263 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.168 -4.548 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.861 -4.049 8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.152 -5.617 8.941 1.00 0.00 H new ATOM 760 N GLY A 49 -0.726 -2.880 7.497 1.00 0.00 N ATOM 761 CA GLY A 49 -0.340 -2.690 6.085 1.00 0.00 C ATOM 762 C GLY A 49 0.524 -3.757 5.542 1.00 0.00 C ATOM 763 O GLY A 49 0.274 -4.268 4.450 1.00 0.00 O ATOM 0 H GLY A 49 -0.452 -2.122 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.244 -2.627 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.177 -1.735 5.987 1.00 0.00 H new ATOM 767 N SER A 50 1.505 -4.125 6.293 1.00 0.00 N ATOM 768 CA SER A 50 2.372 -5.211 5.879 1.00 0.00 C ATOM 769 C SER A 50 1.538 -6.501 5.819 1.00 0.00 C ATOM 770 O SER A 50 1.574 -7.244 4.831 1.00 0.00 O ATOM 771 CB SER A 50 3.552 -5.382 6.842 1.00 0.00 C ATOM 772 OG SER A 50 4.158 -4.121 7.162 1.00 0.00 O ATOM 0 H SER A 50 1.738 -3.704 7.192 1.00 0.00 H new ATOM 0 HA SER A 50 2.788 -4.985 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.209 -5.864 7.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.296 -6.041 6.394 1.00 0.00 H new ATOM 0 HG SER A 50 4.394 -4.103 8.113 1.00 0.00 H new ATOM 778 N ASP A 51 0.712 -6.695 6.840 1.00 0.00 N ATOM 779 CA ASP A 51 -0.147 -7.873 6.942 1.00 0.00 C ATOM 780 C ASP A 51 -1.171 -7.934 5.824 1.00 0.00 C ATOM 781 O ASP A 51 -1.547 -8.986 5.431 1.00 0.00 O ATOM 782 CB ASP A 51 -0.860 -7.978 8.305 1.00 0.00 C ATOM 783 CG ASP A 51 0.067 -8.263 9.461 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.634 -9.364 9.526 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.219 -7.396 10.358 1.00 0.00 O ATOM 0 H ASP A 51 0.617 -6.044 7.619 1.00 0.00 H new ATOM 0 HA ASP A 51 0.525 -8.726 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.390 -7.046 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.611 -8.767 8.251 1.00 0.00 H new ATOM 790 N LEU A 52 -1.594 -6.782 5.307 1.00 0.00 N ATOM 791 CA LEU A 52 -2.581 -6.693 4.200 1.00 0.00 C ATOM 792 C LEU A 52 -2.100 -7.455 2.990 1.00 0.00 C ATOM 793 O LEU A 52 -2.872 -8.086 2.279 1.00 0.00 O ATOM 794 CB LEU A 52 -2.793 -5.228 3.761 1.00 0.00 C ATOM 795 CG LEU A 52 -3.325 -4.251 4.792 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.456 -2.878 4.167 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.661 -4.719 5.353 1.00 0.00 C ATOM 0 H LEU A 52 -1.269 -5.873 5.636 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.513 -7.116 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.839 -4.846 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.479 -5.228 2.914 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.621 -4.200 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.838 -2.176 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.479 -2.542 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.145 -2.926 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.018 -3.999 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.387 -4.801 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.535 -5.692 5.828 1.00 0.00 H new ATOM 809 N ILE A 53 -0.812 -7.413 2.798 1.00 0.00 N ATOM 810 CA ILE A 53 -0.183 -7.978 1.636 1.00 0.00 C ATOM 811 C ILE A 53 -0.068 -9.466 1.806 1.00 0.00 C ATOM 812 O ILE A 53 -0.397 -10.260 0.912 1.00 0.00 O ATOM 813 CB ILE A 53 1.220 -7.371 1.499 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.101 -5.847 1.434 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.942 -7.926 0.271 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.399 -5.129 1.619 1.00 0.00 C ATOM 0 H ILE A 53 -0.160 -6.980 3.452 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.774 -7.762 0.746 1.00 0.00 H new ATOM 0 HB ILE A 53 1.817 -7.644 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.676 -5.566 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.401 -5.514 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.933 -7.479 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.038 -9.008 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.370 -7.688 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.232 -4.054 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.817 -5.378 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.096 -5.431 0.838 1.00 0.00 H new ATOM 828 N TYR A 54 0.351 -9.828 2.970 1.00 0.00 N ATOM 829 CA TYR A 54 0.620 -11.182 3.297 1.00 0.00 C ATOM 830 C TYR A 54 -0.657 -11.963 3.601 1.00 0.00 C ATOM 831 O TYR A 54 -0.808 -13.116 3.187 1.00 0.00 O ATOM 832 CB TYR A 54 1.571 -11.221 4.485 1.00 0.00 C ATOM 833 CG TYR A 54 2.914 -10.563 4.238 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.709 -10.929 3.159 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.378 -9.562 5.078 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.923 -10.317 2.931 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.590 -8.941 4.861 1.00 0.00 C ATOM 838 CZ TYR A 54 5.361 -9.323 3.780 1.00 0.00 C ATOM 839 OH TYR A 54 6.585 -8.725 3.560 1.00 0.00 O ATOM 0 H TYR A 54 0.519 -9.175 3.736 1.00 0.00 H new ATOM 0 HA TYR A 54 1.082 -11.663 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.092 -10.733 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.737 -12.261 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.371 -11.705 2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.776 -9.261 5.923 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.530 -10.616 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.933 -8.164 5.529 1.00 0.00 H new ATOM 0 HH TYR A 54 6.990 -9.097 2.749 1.00 0.00 H new ATOM 849 N TYR A 55 -1.572 -11.327 4.294 1.00 0.00 N ATOM 850 CA TYR A 55 -2.787 -11.953 4.752 1.00 0.00 C ATOM 851 C TYR A 55 -3.980 -11.023 4.491 1.00 0.00 C ATOM 852 O TYR A 55 -4.244 -10.101 5.277 1.00 0.00 O ATOM 853 CB TYR A 55 -2.712 -12.229 6.266 1.00 0.00 C ATOM 854 CG TYR A 55 -1.400 -12.816 6.741 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.116 -14.163 6.597 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.439 -12.002 7.324 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.095 -14.683 7.021 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.765 -12.508 7.751 1.00 0.00 C ATOM 859 CZ TYR A 55 1.031 -13.846 7.598 1.00 0.00 C ATOM 860 OH TYR A 55 2.251 -14.351 8.007 1.00 0.00 O ATOM 0 H TYR A 55 -1.491 -10.345 4.559 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.912 -12.892 4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.891 -11.296 6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.518 -12.911 6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.849 -14.817 6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.642 -10.948 7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.307 -15.735 6.902 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.498 -11.857 8.204 1.00 0.00 H new ATOM 0 HH TYR A 55 2.792 -13.629 8.390 1.00 0.00 H new ATOM 870 N PRO A 56 -4.653 -11.191 3.360 1.00 0.00 N ATOM 871 CA PRO A 56 -5.882 -10.438 3.042 1.00 0.00 C ATOM 872 C PRO A 56 -6.986 -10.774 4.062 1.00 0.00 C ATOM 873 O PRO A 56 -6.989 -11.890 4.629 1.00 0.00 O ATOM 874 CB PRO A 56 -6.252 -10.951 1.651 1.00 0.00 C ATOM 875 CG PRO A 56 -4.985 -11.511 1.110 1.00 0.00 C ATOM 876 CD PRO A 56 -4.265 -12.090 2.278 1.00 0.00 C ATOM 0 HA PRO A 56 -5.754 -9.356 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.031 -11.711 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.632 -10.148 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.185 -12.273 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.389 -10.736 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.570 -13.118 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.186 -12.101 2.126 1.00 0.00 H new ATOM 884 N ARG A 57 -7.936 -9.864 4.292 1.00 0.00 N ATOM 885 CA ARG A 57 -8.862 -10.095 5.387 1.00 0.00 C ATOM 886 C ARG A 57 -10.085 -10.972 5.020 1.00 0.00 C ATOM 887 O ARG A 57 -9.935 -12.115 4.561 1.00 0.00 O ATOM 888 CB ARG A 57 -9.351 -8.761 5.990 1.00 0.00 C ATOM 889 CG ARG A 57 -8.275 -7.810 6.487 1.00 0.00 C ATOM 890 CD ARG A 57 -8.909 -6.723 7.348 1.00 0.00 C ATOM 891 NE ARG A 57 -8.009 -5.596 7.619 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.351 -5.364 8.772 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.347 -6.268 9.754 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.694 -4.222 8.931 1.00 0.00 N ATOM 0 H ARG A 57 -8.077 -9.004 3.761 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.287 -10.656 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.944 -8.242 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.019 -8.986 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.531 -8.358 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.754 -7.360 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.805 -6.352 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.228 -7.159 8.294 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.868 -4.925 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.847 -7.150 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.844 -6.077 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.690 -3.528 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.193 -4.038 9.801 1.00 0.00 H new ATOM 908 N ASP A 58 -11.276 -10.410 5.156 1.00 0.00 N ATOM 909 CA ASP A 58 -12.512 -11.168 4.952 1.00 0.00 C ATOM 910 C ASP A 58 -13.394 -10.554 3.882 1.00 0.00 C ATOM 911 O ASP A 58 -13.499 -11.077 2.769 1.00 0.00 O ATOM 912 CB ASP A 58 -13.274 -11.317 6.281 1.00 0.00 C ATOM 913 CG ASP A 58 -14.504 -12.201 6.200 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.543 -11.768 5.674 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.474 -13.324 6.735 1.00 0.00 O ATOM 0 H ASP A 58 -11.418 -9.432 5.407 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.233 -12.159 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.596 -11.725 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.574 -10.328 6.627 1.00 0.00 H new ATOM 920 N ASP A 59 -13.990 -9.405 4.225 1.00 0.00 N ATOM 921 CA ASP A 59 -14.950 -8.700 3.350 1.00 0.00 C ATOM 922 C ASP A 59 -14.269 -8.182 2.126 1.00 0.00 C ATOM 923 O ASP A 59 -14.855 -8.135 1.038 1.00 0.00 O ATOM 924 CB ASP A 59 -15.650 -7.523 4.063 1.00 0.00 C ATOM 925 CG ASP A 59 -16.698 -7.926 5.074 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.819 -8.345 4.668 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.433 -7.828 6.296 1.00 0.00 O ATOM 0 H ASP A 59 -13.824 -8.934 5.115 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.708 -9.435 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.894 -6.920 4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.117 -6.887 3.311 1.00 0.00 H new ATOM 932 N ARG A 60 -13.024 -7.824 2.299 1.00 0.00 N ATOM 933 CA ARG A 60 -12.209 -7.303 1.235 1.00 0.00 C ATOM 934 C ARG A 60 -12.054 -8.257 0.113 1.00 0.00 C ATOM 935 O ARG A 60 -12.020 -9.483 0.298 1.00 0.00 O ATOM 936 CB ARG A 60 -10.840 -6.925 1.734 1.00 0.00 C ATOM 937 CG ARG A 60 -10.790 -5.591 2.382 1.00 0.00 C ATOM 938 CD ARG A 60 -10.865 -4.501 1.316 1.00 0.00 C ATOM 939 NE ARG A 60 -11.177 -3.197 1.906 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.010 -2.289 1.370 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.540 -2.497 0.157 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.304 -1.172 2.038 1.00 0.00 N ATOM 0 H ARG A 60 -12.542 -7.887 3.195 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.732 -6.420 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.501 -7.678 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.141 -6.940 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.617 -5.485 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.870 -5.489 2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.915 -4.444 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.626 -4.761 0.581 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.728 -2.960 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.311 -3.346 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.172 -1.807 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.896 -1.006 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.937 -0.485 1.629 1.00 0.00 H new ATOM 956 N GLU A 61 -11.949 -7.700 -1.032 1.00 0.00 N ATOM 957 CA GLU A 61 -11.678 -8.438 -2.196 1.00 0.00 C ATOM 958 C GLU A 61 -10.211 -8.790 -2.173 1.00 0.00 C ATOM 959 O GLU A 61 -9.364 -7.954 -1.798 1.00 0.00 O ATOM 960 CB GLU A 61 -12.030 -7.622 -3.444 1.00 0.00 C ATOM 961 CG GLU A 61 -11.586 -8.260 -4.739 1.00 0.00 C ATOM 962 CD GLU A 61 -12.239 -9.603 -5.029 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.989 -10.585 -4.301 1.00 0.00 O ATOM 964 OE2 GLU A 61 -13.021 -9.696 -5.990 1.00 0.00 O ATOM 0 H GLU A 61 -12.052 -6.697 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.282 -9.345 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.109 -7.472 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.574 -6.636 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.804 -7.578 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.504 -8.393 -4.713 1.00 0.00 H new ATOM 971 N ASP A 62 -9.915 -9.997 -2.524 1.00 0.00 N ATOM 972 CA ASP A 62 -8.563 -10.466 -2.549 1.00 0.00 C ATOM 973 C ASP A 62 -7.918 -10.012 -3.834 1.00 0.00 C ATOM 974 O ASP A 62 -7.882 -10.740 -4.831 1.00 0.00 O ATOM 975 CB ASP A 62 -8.503 -12.001 -2.397 1.00 0.00 C ATOM 976 CG ASP A 62 -7.101 -12.580 -2.482 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.360 -12.539 -1.492 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.719 -13.115 -3.550 1.00 0.00 O ATOM 0 H ASP A 62 -10.606 -10.693 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.015 -10.047 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.941 -12.277 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.120 -12.456 -3.172 1.00 0.00 H new ATOM 983 N SER A 63 -7.536 -8.768 -3.869 1.00 0.00 N ATOM 984 CA SER A 63 -6.878 -8.249 -5.009 1.00 0.00 C ATOM 985 C SER A 63 -5.823 -7.271 -4.559 1.00 0.00 C ATOM 986 O SER A 63 -5.886 -6.783 -3.417 1.00 0.00 O ATOM 987 CB SER A 63 -7.910 -7.544 -5.901 1.00 0.00 C ATOM 988 OG SER A 63 -8.570 -6.513 -5.183 1.00 0.00 O ATOM 0 H SER A 63 -7.675 -8.099 -3.111 1.00 0.00 H new ATOM 0 HA SER A 63 -6.405 -9.051 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.415 -7.125 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.641 -8.268 -6.263 1.00 0.00 H new ATOM 0 HG SER A 63 -9.327 -6.181 -5.709 1.00 0.00 H new ATOM 994 N PRO A 64 -4.817 -6.976 -5.416 1.00 0.00 N ATOM 995 CA PRO A 64 -3.847 -5.918 -5.141 1.00 0.00 C ATOM 996 C PRO A 64 -4.609 -4.593 -4.909 1.00 0.00 C ATOM 997 O PRO A 64 -4.220 -3.770 -4.096 1.00 0.00 O ATOM 998 CB PRO A 64 -2.997 -5.882 -6.449 1.00 0.00 C ATOM 999 CG PRO A 64 -3.117 -7.256 -6.992 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.517 -7.685 -6.682 1.00 0.00 C ATOM 0 HA PRO A 64 -3.230 -6.076 -4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.377 -5.140 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.958 -5.623 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.930 -7.272 -8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.390 -7.925 -6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.209 -7.403 -7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.590 -8.766 -6.565 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.750 -4.465 -5.584 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.612 -3.308 -5.466 1.00 0.00 C ATOM 1010 C GLU A 65 -7.228 -3.238 -4.066 1.00 0.00 C ATOM 1011 O GLU A 65 -7.207 -2.193 -3.431 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.734 -3.373 -6.495 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.283 -3.573 -7.928 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.441 -3.552 -8.875 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.020 -4.616 -9.141 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.818 -2.464 -9.349 1.00 0.00 O ATOM 0 H GLU A 65 -6.098 -5.172 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.006 -2.419 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.406 -4.187 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.312 -2.451 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.575 -2.790 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.757 -4.524 -8.016 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.766 -4.361 -3.601 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.397 -4.432 -2.296 1.00 0.00 C ATOM 1025 C GLY A 66 -7.437 -4.150 -1.162 1.00 0.00 C ATOM 1026 O GLY A 66 -7.800 -3.507 -0.180 1.00 0.00 O ATOM 0 H GLY A 66 -7.775 -5.240 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.219 -3.717 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.830 -5.423 -2.161 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.206 -4.617 -1.311 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.146 -4.361 -0.334 1.00 0.00 C ATOM 1032 C ILE A 67 -4.894 -2.856 -0.220 1.00 0.00 C ATOM 1033 O ILE A 67 -4.791 -2.300 0.875 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.840 -5.099 -0.739 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.056 -6.620 -0.673 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.652 -4.668 0.127 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.868 -7.436 -1.136 1.00 0.00 C ATOM 0 H ILE A 67 -5.910 -5.182 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.466 -4.740 0.636 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.597 -4.824 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.295 -6.898 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.921 -6.880 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.758 -5.207 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.489 -3.596 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.863 -4.894 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.103 -8.497 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.640 -7.190 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.005 -7.209 -0.511 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.845 -2.210 -1.354 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.673 -0.773 -1.426 1.00 0.00 C ATOM 1051 C VAL A 68 -5.887 -0.068 -0.872 1.00 0.00 C ATOM 1052 O VAL A 68 -5.772 0.939 -0.165 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.429 -0.345 -2.881 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.427 1.177 -3.037 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.120 -0.910 -3.314 1.00 0.00 C ATOM 0 H VAL A 68 -4.923 -2.664 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.807 -0.494 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.239 -0.724 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.251 1.435 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.391 1.576 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.637 1.605 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.922 -0.620 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.328 -0.526 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.151 -1.997 -3.242 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.044 -0.626 -1.141 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.259 -0.024 -0.721 1.00 0.00 C ATOM 1067 C LYS A 69 -8.422 -0.114 0.797 1.00 0.00 C ATOM 1068 O LYS A 69 -9.114 0.691 1.398 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.452 -0.609 -1.420 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.545 0.415 -1.459 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.721 -0.012 -2.233 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.697 1.138 -2.301 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.912 0.767 -3.037 1.00 0.00 N ATOM 0 H LYS A 69 -7.155 -1.501 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.204 1.028 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.184 -0.912 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.793 -1.504 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.854 0.644 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.153 1.337 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.423 -0.315 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.189 -0.878 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.963 1.452 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.223 1.991 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.562 1.578 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.659 0.491 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.377 -0.032 -2.560 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.777 -1.092 1.395 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.704 -1.202 2.837 1.00 0.00 C ATOM 1089 C GLU A 70 -7.048 0.025 3.412 1.00 0.00 C ATOM 1090 O GLU A 70 -7.599 0.684 4.281 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.921 -2.434 3.225 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.747 -3.663 3.338 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.726 -3.534 4.466 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.383 -3.887 5.602 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.852 -3.037 4.248 1.00 0.00 O ATOM 0 H GLU A 70 -7.288 -1.834 0.895 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.715 -1.286 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.137 -2.602 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.426 -2.252 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.280 -3.837 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.104 -4.527 3.504 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.884 0.328 2.887 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.129 1.509 3.247 1.00 0.00 C ATOM 1104 C ILE A 71 -5.930 2.769 2.941 1.00 0.00 C ATOM 1105 O ILE A 71 -5.960 3.720 3.724 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.797 1.494 2.476 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.907 0.465 3.126 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.123 2.861 2.466 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.855 -0.085 2.240 1.00 0.00 C ATOM 0 H ILE A 71 -5.425 -0.250 2.183 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.924 1.508 4.318 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.985 1.241 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.432 0.913 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.526 -0.356 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.187 2.801 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.781 3.588 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.918 3.173 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.263 -0.817 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.319 -0.566 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.208 0.723 1.899 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.577 2.743 1.808 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.409 3.796 1.329 1.00 0.00 C ATOM 1123 C LYS A 72 -8.527 4.117 2.280 1.00 0.00 C ATOM 1124 O LYS A 72 -8.546 5.194 2.838 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.990 3.313 0.038 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.111 4.107 -0.560 1.00 0.00 C ATOM 1127 CD LYS A 72 -8.698 5.410 -1.135 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.817 5.860 -1.992 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.521 7.101 -2.732 1.00 0.00 N ATOM 0 H LYS A 72 -6.532 1.948 1.170 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.820 4.706 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.185 3.264 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.345 2.294 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.585 3.513 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.865 4.284 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.496 6.136 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.781 5.306 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.062 5.071 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.700 6.016 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.399 7.640 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.845 7.676 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.110 6.864 -3.657 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.368 3.151 2.544 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.568 3.377 3.300 1.00 0.00 C ATOM 1145 C GLU A 73 -10.302 3.501 4.765 1.00 0.00 C ATOM 1146 O GLU A 73 -11.116 4.030 5.503 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.594 2.309 3.012 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.115 2.327 1.580 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.726 3.657 1.197 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.582 4.165 1.946 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.361 4.227 0.147 1.00 0.00 O ATOM 0 H GLU A 73 -9.238 2.186 2.240 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.976 4.335 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.156 1.332 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.434 2.431 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.297 2.098 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.861 1.541 1.459 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.181 3.008 5.189 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.767 3.184 6.547 1.00 0.00 C ATOM 1160 C TRP A 74 -8.374 4.635 6.737 1.00 0.00 C ATOM 1161 O TRP A 74 -8.975 5.349 7.544 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.591 2.273 6.861 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.182 2.239 8.299 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.821 1.588 9.304 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.021 2.844 8.885 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.132 1.739 10.472 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.027 2.502 10.246 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.976 3.640 8.390 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.036 2.912 11.122 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.984 4.052 9.260 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.023 3.681 10.614 1.00 0.00 C ATOM 0 H TRP A 74 -8.531 2.476 4.610 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.582 2.926 7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.842 1.260 6.547 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.736 2.590 6.263 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.740 1.032 9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.402 1.343 11.372 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.948 3.925 7.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.061 2.636 12.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.172 4.664 8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.233 4.011 11.272 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.448 5.118 5.901 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.940 6.468 6.066 1.00 0.00 C ATOM 1184 C ARG A 75 -8.013 7.485 5.739 1.00 0.00 C ATOM 1185 O ARG A 75 -8.120 8.530 6.390 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.706 6.701 5.213 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.561 5.763 5.541 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.347 6.065 4.705 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.690 6.202 3.284 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.165 7.127 2.465 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.246 7.962 2.907 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.578 7.228 1.224 1.00 0.00 N ATOM 0 H ARG A 75 -7.047 4.599 5.120 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.652 6.591 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.972 6.584 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.372 7.730 5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.308 5.851 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.873 4.732 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.881 6.985 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.613 5.269 4.828 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.372 5.552 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.931 7.907 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.850 8.663 2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.303 6.601 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.174 7.933 0.608 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.844 7.135 4.780 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.931 7.975 4.332 1.00 0.00 C ATOM 1208 C ALA A 76 -11.016 8.106 5.412 1.00 0.00 C ATOM 1209 O ALA A 76 -11.666 9.144 5.518 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.522 7.424 3.024 1.00 0.00 C ATOM 0 H ALA A 76 -8.781 6.246 4.284 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.536 8.973 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.340 8.065 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.749 7.402 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.897 6.414 3.191 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.165 7.079 6.249 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.202 7.083 7.262 1.00 0.00 C ATOM 1218 C ALA A 77 -11.705 7.831 8.445 1.00 0.00 C ATOM 1219 O ALA A 77 -12.422 8.609 9.063 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.600 5.673 7.659 1.00 0.00 C ATOM 0 H ALA A 77 -10.581 6.242 6.240 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.091 7.566 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.379 5.716 8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.975 5.141 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.732 5.148 8.058 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.438 7.604 8.741 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.782 8.229 9.837 1.00 0.00 C ATOM 1228 C ASN A 78 -9.720 9.735 9.642 1.00 0.00 C ATOM 1229 O ASN A 78 -9.921 10.509 10.589 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.352 7.723 9.991 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.148 6.239 10.282 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.096 5.718 9.963 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.098 5.566 10.876 1.00 0.00 N ATOM 0 H ASN A 78 -9.842 6.969 8.210 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.360 7.984 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.812 7.962 9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.881 8.289 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.968 4.576 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.969 6.031 11.131 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.467 10.142 8.417 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.295 11.539 8.117 1.00 0.00 C ATOM 1242 C GLY A 79 -7.830 11.848 7.978 1.00 0.00 C ATOM 1243 O GLY A 79 -7.355 12.911 8.391 1.00 0.00 O ATOM 0 H GLY A 79 -9.376 9.520 7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.819 11.791 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.732 12.148 8.908 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.112 10.889 7.435 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.706 10.977 7.223 1.00 0.00 C ATOM 1249 C LYS A 80 -5.412 11.420 5.796 1.00 0.00 C ATOM 1250 O LYS A 80 -6.305 11.918 5.080 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.071 9.619 7.467 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.961 9.210 8.918 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.351 7.832 9.015 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.044 7.416 10.451 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.239 7.321 11.306 1.00 0.00 N ATOM 0 H LYS A 80 -7.514 10.005 7.124 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.292 11.710 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.651 8.864 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.073 9.619 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.348 9.928 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.947 9.215 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.032 7.107 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.431 7.806 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.538 6.451 10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.351 8.135 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.948 7.185 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.794 8.197 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.820 6.514 11.002 1.00 0.00 H new ATOM 1269 N SER A 81 -4.178 11.242 5.394 1.00 0.00 N ATOM 1270 CA SER A 81 -3.727 11.562 4.075 1.00 0.00 C ATOM 1271 C SER A 81 -4.389 10.633 3.038 1.00 0.00 C ATOM 1272 O SER A 81 -4.947 9.581 3.390 1.00 0.00 O ATOM 1273 CB SER A 81 -2.203 11.417 4.039 1.00 0.00 C ATOM 1274 OG SER A 81 -1.655 11.843 2.805 1.00 0.00 O ATOM 0 H SER A 81 -3.447 10.861 5.994 1.00 0.00 H new ATOM 0 HA SER A 81 -4.005 12.585 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.765 11.999 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.934 10.375 4.214 1.00 0.00 H new ATOM 0 HG SER A 81 -0.681 11.735 2.825 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.326 11.031 1.791 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.879 10.254 0.717 1.00 0.00 C ATOM 1282 C GLY A 82 -3.842 10.018 -0.348 1.00 0.00 C ATOM 1283 O GLY A 82 -2.644 9.985 -0.041 1.00 0.00 O ATOM 0 H GLY A 82 -3.889 11.904 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.241 9.299 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.737 10.772 0.289 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.274 9.776 -1.559 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.396 9.649 -2.671 1.00 0.00 C ATOM 1289 C PHE A 83 -3.740 10.741 -3.624 1.00 0.00 C ATOM 1290 O PHE A 83 -4.826 11.334 -3.519 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.628 8.346 -3.411 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.639 7.117 -2.567 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.459 6.569 -2.135 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.832 6.510 -2.207 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.456 5.435 -1.356 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.838 5.371 -1.428 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.646 4.832 -1.001 1.00 0.00 C ATOM 0 H PHE A 83 -5.260 9.662 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.366 9.687 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.581 8.412 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.853 8.237 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.523 7.032 -2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.768 6.934 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.519 5.015 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.773 4.905 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.641 3.941 -0.391 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.875 10.997 -4.551 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.161 11.940 -5.571 1.00 0.00 C ATOM 1309 C LYS A 84 -4.161 11.321 -6.525 1.00 0.00 C ATOM 1310 O LYS A 84 -4.029 10.149 -6.900 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.883 12.328 -6.294 1.00 0.00 C ATOM 1312 CG LYS A 84 -2.069 13.287 -7.452 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.731 13.695 -8.051 1.00 0.00 C ATOM 1314 CE LYS A 84 0.020 12.512 -8.648 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.286 12.921 -9.284 1.00 0.00 N ATOM 0 H LYS A 84 -1.956 10.559 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.586 12.848 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.199 12.779 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.404 11.422 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.686 12.819 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.603 14.174 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.895 14.446 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.117 14.161 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.228 11.783 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.612 12.017 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.763 12.085 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.088 13.597 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.901 13.370 -8.576 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.175 12.058 -6.861 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.151 11.566 -7.778 1.00 0.00 C ATOM 1331 C GLN A 85 -5.776 11.959 -9.182 1.00 0.00 C ATOM 1332 O GLN A 85 -5.351 13.091 -9.435 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.610 11.978 -7.405 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.160 13.403 -7.759 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.425 14.626 -7.184 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.140 14.700 -7.314 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -8.076 15.594 -6.795 1.00 0.00 N flip ATOM 0 H GLN A 85 -5.346 13.001 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.149 10.478 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.276 11.253 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.711 11.855 -6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.166 13.498 -8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.198 13.452 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.089 15.521 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.603 16.469 -6.570 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.831 11.024 -10.032 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.542 11.222 -11.411 1.00 0.00 C ATOM 1348 C GLY A 86 -5.304 9.900 -12.047 1.00 0.00 C ATOM 1349 O GLY A 86 -4.572 9.812 -13.043 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.825 8.894 -11.510 1.00 0.00 O ATOM 0 H GLY A 86 -6.085 10.065 -9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.372 11.732 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.665 11.859 -11.525 1.00 0.00 H new