USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 130:sc= -0.446 USER MOD Single : A 28 SER OG : rot 141:sc= -0.438 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.531 F(o=-2.4!,f=0.53) USER MOD Single : A 35 LYS NZ :NH3+ -106:sc= -2.24 (180deg=-4.17!) USER MOD Single : A 39 THR OG1 : rot -120:sc= -0.0988 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 28:sc= 0.0276 USER MOD Single : A 60 THR OG1 : rot 34:sc= -1.19 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.3) USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.2! F(o=-1.7,f=-1.2!) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0508 (180deg=-0.514) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -6.69! C(o=-6.7!,f=-11!) USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= -2.11 (180deg=-3.5!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.836! USER MOD Single : A 86 THR OG1 : rot -74:sc= 1 USER MOD Single : A 88 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.8) USER MOD Single : A 89 SER OG : rot -170:sc= -0.972! USER MOD Single : A 95 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 101 SER OG : rot 70:sc= 0.503 USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= -0.0381 (180deg=-0.477) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 131:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.506 -8.968 -14.607 1.00 0.00 N ATOM 2 CA LEU A 17 2.499 -8.353 -13.696 1.00 0.00 C ATOM 3 C LEU A 17 3.871 -8.958 -13.926 1.00 0.00 C ATOM 4 O LEU A 17 4.526 -9.392 -12.999 1.00 0.00 O ATOM 5 CB LEU A 17 2.094 -8.594 -12.242 1.00 0.00 C ATOM 6 CG LEU A 17 2.934 -7.694 -11.333 1.00 0.00 C ATOM 7 CD1 LEU A 17 2.173 -6.404 -11.051 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.191 -8.419 -10.023 1.00 0.00 C ATOM 0 HA LEU A 17 2.533 -7.283 -13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.034 -8.381 -12.107 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.245 -9.641 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 17 3.880 -7.458 -11.821 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.771 -5.763 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.973 -5.887 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.230 -6.638 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.789 -7.786 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.240 -8.645 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.728 -9.347 -10.220 1.00 0.00 H new ATOM 22 N GLN A 18 4.283 -8.976 -15.158 1.00 0.00 N ATOM 23 CA GLN A 18 5.611 -9.547 -15.466 1.00 0.00 C ATOM 24 C GLN A 18 6.684 -8.604 -14.965 1.00 0.00 C ATOM 25 O GLN A 18 7.833 -8.970 -14.815 1.00 0.00 O ATOM 26 CB GLN A 18 5.737 -9.696 -16.990 1.00 0.00 C ATOM 27 CG GLN A 18 4.476 -10.376 -17.532 1.00 0.00 C ATOM 28 CD GLN A 18 4.701 -10.773 -18.993 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.070 -9.962 -19.819 1.00 0.00 O ATOM 30 NE2 GLN A 18 4.489 -12.011 -19.355 1.00 0.00 N ATOM 0 H GLN A 18 3.759 -8.622 -15.959 1.00 0.00 H new ATOM 0 HA GLN A 18 5.726 -10.518 -14.984 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.866 -8.718 -17.454 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.619 -10.286 -17.239 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.240 -11.258 -16.936 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.623 -9.701 -17.454 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.179 -12.698 -18.667 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.633 -12.291 -20.325 1.00 0.00 H new ATOM 39 N ASP A 19 6.273 -7.396 -14.717 1.00 0.00 N ATOM 40 CA ASP A 19 7.210 -6.384 -14.224 1.00 0.00 C ATOM 41 C ASP A 19 6.445 -5.172 -13.731 1.00 0.00 C ATOM 42 O ASP A 19 6.920 -4.420 -12.903 1.00 0.00 O ATOM 43 CB ASP A 19 8.105 -5.964 -15.378 1.00 0.00 C ATOM 44 CG ASP A 19 9.571 -6.138 -14.977 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.973 -7.287 -14.882 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.207 -5.114 -14.789 1.00 0.00 O ATOM 0 H ASP A 19 5.313 -7.073 -14.840 1.00 0.00 H new ATOM 0 HA ASP A 19 7.801 -6.793 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.885 -6.565 -16.260 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.910 -4.925 -15.643 1.00 0.00 H new ATOM 51 N ALA A 20 5.267 -5.008 -14.257 1.00 0.00 N ATOM 52 CA ALA A 20 4.428 -3.854 -13.846 1.00 0.00 C ATOM 53 C ALA A 20 5.127 -2.527 -14.149 1.00 0.00 C ATOM 54 O ALA A 20 6.174 -2.503 -14.769 1.00 0.00 O ATOM 55 CB ALA A 20 4.188 -3.948 -12.335 1.00 0.00 C ATOM 0 H ALA A 20 4.849 -5.624 -14.954 1.00 0.00 H new ATOM 0 HA ALA A 20 3.490 -3.885 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.573 -3.108 -12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.676 -4.883 -12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.144 -3.920 -11.812 1.00 0.00 H new ATOM 61 N GLU A 21 4.527 -1.446 -13.705 1.00 0.00 N ATOM 62 CA GLU A 21 5.129 -0.104 -13.948 1.00 0.00 C ATOM 63 C GLU A 21 5.108 0.727 -12.668 1.00 0.00 C ATOM 64 O GLU A 21 6.096 1.327 -12.295 1.00 0.00 O ATOM 65 CB GLU A 21 4.295 0.613 -15.022 1.00 0.00 C ATOM 66 CG GLU A 21 4.195 -0.284 -16.259 1.00 0.00 C ATOM 67 CD GLU A 21 3.626 0.524 -17.427 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.610 1.161 -17.200 1.00 0.00 O ATOM 69 OE2 GLU A 21 4.238 0.458 -18.480 1.00 0.00 O ATOM 0 H GLU A 21 3.649 -1.440 -13.187 1.00 0.00 H new ATOM 0 HA GLU A 21 6.162 -0.223 -14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.300 0.837 -14.638 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.757 1.565 -15.284 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.179 -0.676 -16.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.555 -1.141 -16.050 1.00 0.00 H new ATOM 76 N TRP A 22 3.974 0.746 -12.020 1.00 0.00 N ATOM 77 CA TRP A 22 3.861 1.529 -10.761 1.00 0.00 C ATOM 78 C TRP A 22 4.739 0.910 -9.695 1.00 0.00 C ATOM 79 O TRP A 22 5.247 1.582 -8.819 1.00 0.00 O ATOM 80 CB TRP A 22 2.403 1.483 -10.298 1.00 0.00 C ATOM 81 CG TRP A 22 1.538 0.981 -11.467 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.095 1.761 -12.432 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.219 -0.279 -11.694 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.489 0.915 -13.282 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.524 -0.404 -12.886 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.477 -1.410 -10.942 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.105 -1.645 -13.311 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.053 -2.638 -11.370 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.373 -2.760 -12.547 1.00 0.00 C ATOM 0 H TRP A 22 3.127 0.256 -12.308 1.00 0.00 H new ATOM 0 HA TRP A 22 4.177 2.558 -10.932 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.299 0.822 -9.438 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.074 2.473 -9.981 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.196 2.833 -12.520 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.042 1.223 -14.146 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.017 -1.323 -10.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.433 -1.744 -14.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.257 -3.515 -10.774 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.044 -3.733 -12.881 1.00 0.00 H new ATOM 100 N TYR A 23 4.894 -0.367 -9.802 1.00 0.00 N ATOM 101 CA TYR A 23 5.727 -1.108 -8.832 1.00 0.00 C ATOM 102 C TYR A 23 7.125 -1.300 -9.400 1.00 0.00 C ATOM 103 O TYR A 23 7.285 -1.692 -10.539 1.00 0.00 O ATOM 104 CB TYR A 23 5.076 -2.484 -8.618 1.00 0.00 C ATOM 105 CG TYR A 23 3.586 -2.347 -8.173 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.035 -1.137 -7.709 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.763 -3.450 -8.245 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.705 -1.074 -7.342 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.436 -3.371 -7.876 1.00 0.00 C ATOM 110 CZ TYR A 23 0.899 -2.187 -7.423 1.00 0.00 C ATOM 111 OH TYR A 23 -0.431 -2.115 -7.061 1.00 0.00 O ATOM 0 H TYR A 23 4.472 -0.941 -10.532 1.00 0.00 H new ATOM 0 HA TYR A 23 5.799 -0.560 -7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.130 -3.061 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.633 -3.038 -7.863 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.655 -0.255 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.163 -4.390 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.293 -0.141 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.811 -4.249 -7.943 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.985 -2.499 -7.772 1.00 0.00 H new ATOM 121 N TRP A 24 8.115 -1.025 -8.597 1.00 0.00 N ATOM 122 CA TRP A 24 9.505 -1.188 -9.085 1.00 0.00 C ATOM 123 C TRP A 24 9.987 -2.609 -8.833 1.00 0.00 C ATOM 124 O TRP A 24 11.096 -2.963 -9.188 1.00 0.00 O ATOM 125 CB TRP A 24 10.423 -0.218 -8.310 1.00 0.00 C ATOM 126 CG TRP A 24 9.866 1.221 -8.342 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.754 1.611 -8.967 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.411 2.219 -7.706 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.661 2.917 -8.650 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.681 3.377 -7.851 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.566 2.224 -6.962 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.101 4.537 -7.251 1.00 0.00 C ATOM 133 CZ3 TRP A 24 11.992 3.386 -6.356 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.259 4.544 -6.500 1.00 0.00 C ATOM 0 H TRP A 24 8.020 -0.698 -7.635 1.00 0.00 H new ATOM 0 HA TRP A 24 9.533 -0.978 -10.154 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.519 -0.551 -7.277 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.423 -0.234 -8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.088 1.021 -9.580 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.900 3.513 -8.975 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.141 1.316 -6.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.526 5.444 -7.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.899 3.389 -5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.590 5.456 -6.026 1.00 0.00 H new ATOM 145 N GLY A 25 9.137 -3.393 -8.219 1.00 0.00 N ATOM 146 CA GLY A 25 9.506 -4.810 -7.921 1.00 0.00 C ATOM 147 C GLY A 25 9.562 -5.039 -6.415 1.00 0.00 C ATOM 148 O GLY A 25 8.778 -5.785 -5.867 1.00 0.00 O ATOM 0 H GLY A 25 8.205 -3.114 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.778 -5.485 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.473 -5.042 -8.367 1.00 0.00 H new ATOM 152 N ASP A 26 10.478 -4.381 -5.783 1.00 0.00 N ATOM 153 CA ASP A 26 10.616 -4.536 -4.308 1.00 0.00 C ATOM 154 C ASP A 26 11.588 -3.498 -3.739 1.00 0.00 C ATOM 155 O ASP A 26 12.718 -3.421 -4.175 1.00 0.00 O ATOM 156 CB ASP A 26 11.219 -5.930 -4.028 1.00 0.00 C ATOM 157 CG ASP A 26 10.116 -6.980 -3.937 1.00 0.00 C ATOM 158 OD1 ASP A 26 9.556 -7.084 -2.860 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.905 -7.633 -4.944 1.00 0.00 O ATOM 0 H ASP A 26 11.142 -3.740 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 26 9.636 -4.409 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.918 -6.196 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.786 -5.907 -3.097 1.00 0.00 H new ATOM 164 N ILE A 27 11.145 -2.719 -2.774 1.00 0.00 N ATOM 165 CA ILE A 27 12.075 -1.696 -2.198 1.00 0.00 C ATOM 166 C ILE A 27 11.795 -1.445 -0.703 1.00 0.00 C ATOM 167 O ILE A 27 11.716 -2.375 0.069 1.00 0.00 O ATOM 168 CB ILE A 27 11.911 -0.390 -2.980 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.441 0.007 -3.044 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.417 -0.596 -4.413 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.271 1.164 -4.035 1.00 0.00 C ATOM 0 H ILE A 27 10.208 -2.746 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 27 13.096 -2.069 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 27 12.479 0.393 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.836 -0.845 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.090 0.305 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.303 0.330 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.469 -0.880 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.839 -1.386 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.220 1.450 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.865 2.016 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.607 0.849 -5.023 1.00 0.00 H new ATOM 183 N SER A 28 11.660 -0.191 -0.320 1.00 0.00 N ATOM 184 CA SER A 28 11.392 0.100 1.112 1.00 0.00 C ATOM 185 C SER A 28 11.150 1.590 1.351 1.00 0.00 C ATOM 186 O SER A 28 11.104 2.374 0.424 1.00 0.00 O ATOM 187 CB SER A 28 12.618 -0.336 1.926 1.00 0.00 C ATOM 188 OG SER A 28 13.670 -0.378 0.973 1.00 0.00 O ATOM 0 H SER A 28 11.724 0.623 -0.932 1.00 0.00 H new ATOM 0 HA SER A 28 10.495 -0.441 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.835 0.369 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.462 -1.310 2.391 1.00 0.00 H new ATOM 0 HG SER A 28 14.492 -0.031 1.378 1.00 0.00 H new ATOM 194 N ARG A 29 10.999 1.949 2.603 1.00 0.00 N ATOM 195 CA ARG A 29 10.757 3.380 2.940 1.00 0.00 C ATOM 196 C ARG A 29 11.870 4.263 2.420 1.00 0.00 C ATOM 197 O ARG A 29 11.624 5.272 1.790 1.00 0.00 O ATOM 198 CB ARG A 29 10.689 3.537 4.472 1.00 0.00 C ATOM 199 CG ARG A 29 10.400 2.181 5.135 1.00 0.00 C ATOM 200 CD ARG A 29 11.704 1.385 5.253 1.00 0.00 C ATOM 201 NE ARG A 29 11.419 -0.054 4.981 1.00 0.00 N ATOM 202 CZ ARG A 29 12.245 -0.966 5.419 1.00 0.00 C ATOM 203 NH1 ARG A 29 13.383 -1.139 4.801 1.00 0.00 N ATOM 204 NH2 ARG A 29 11.905 -1.677 6.458 1.00 0.00 N ATOM 0 H ARG A 29 11.033 1.314 3.400 1.00 0.00 H new ATOM 0 HA ARG A 29 9.819 3.682 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.631 3.939 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.910 4.252 4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.962 2.332 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.672 1.623 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.442 1.763 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.129 1.503 6.250 1.00 0.00 H new ATOM 0 HE ARG A 29 10.586 -0.323 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.615 -0.566 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.040 -1.847 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.007 -1.516 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.537 -2.394 6.814 1.00 0.00 H new ATOM 218 N GLU A 30 13.071 3.874 2.690 1.00 0.00 N ATOM 219 CA GLU A 30 14.215 4.683 2.216 1.00 0.00 C ATOM 220 C GLU A 30 14.029 5.082 0.765 1.00 0.00 C ATOM 221 O GLU A 30 14.044 6.245 0.440 1.00 0.00 O ATOM 222 CB GLU A 30 15.513 3.867 2.345 1.00 0.00 C ATOM 223 CG GLU A 30 15.189 2.484 2.881 1.00 0.00 C ATOM 224 CD GLU A 30 16.463 1.637 2.892 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.283 1.905 3.755 1.00 0.00 O ATOM 226 OE2 GLU A 30 16.545 0.770 2.037 1.00 0.00 O ATOM 0 H GLU A 30 13.313 3.034 3.216 1.00 0.00 H new ATOM 0 HA GLU A 30 14.273 5.584 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.003 3.787 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.209 4.374 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.779 2.558 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.428 2.010 2.261 1.00 0.00 H new ATOM 233 N GLU A 31 13.847 4.110 -0.088 1.00 0.00 N ATOM 234 CA GLU A 31 13.660 4.436 -1.523 1.00 0.00 C ATOM 235 C GLU A 31 12.331 5.133 -1.735 1.00 0.00 C ATOM 236 O GLU A 31 12.287 6.272 -2.157 1.00 0.00 O ATOM 237 CB GLU A 31 13.648 3.134 -2.324 1.00 0.00 C ATOM 238 CG GLU A 31 14.788 2.234 -1.847 1.00 0.00 C ATOM 239 CD GLU A 31 15.309 1.412 -3.029 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.070 1.984 -3.792 1.00 0.00 O ATOM 241 OE2 GLU A 31 14.917 0.259 -3.101 1.00 0.00 O ATOM 0 H GLU A 31 13.820 3.118 0.146 1.00 0.00 H new ATOM 0 HA GLU A 31 14.470 5.089 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.692 2.626 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.759 3.347 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.592 2.838 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.438 1.572 -1.055 1.00 0.00 H new ATOM 248 N VAL A 32 11.267 4.422 -1.447 1.00 0.00 N ATOM 249 CA VAL A 32 9.913 5.009 -1.617 1.00 0.00 C ATOM 250 C VAL A 32 9.901 6.470 -1.205 1.00 0.00 C ATOM 251 O VAL A 32 9.695 7.348 -2.014 1.00 0.00 O ATOM 252 CB VAL A 32 8.955 4.253 -0.701 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.637 5.005 -0.619 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.708 2.872 -1.276 1.00 0.00 C ATOM 0 H VAL A 32 11.284 3.462 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 32 9.620 4.933 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 32 9.388 4.167 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.951 4.467 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.812 6.003 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.201 5.085 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.024 2.325 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.270 2.965 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.653 2.332 -1.345 1.00 0.00 H new ATOM 264 N ASN A 33 10.124 6.693 0.056 1.00 0.00 N ATOM 265 CA ASN A 33 10.136 8.081 0.573 1.00 0.00 C ATOM 266 C ASN A 33 11.077 8.987 -0.233 1.00 0.00 C ATOM 267 O ASN A 33 10.640 9.920 -0.876 1.00 0.00 O ATOM 268 CB ASN A 33 10.636 8.031 2.024 1.00 0.00 C ATOM 269 CG ASN A 33 10.162 9.278 2.774 1.00 0.00 C ATOM 270 OD1 ASN A 33 10.855 10.380 2.673 1.00 0.00 O flip ATOM 271 ND2 ASN A 33 9.158 9.261 3.457 1.00 0.00 N flip ATOM 0 H ASN A 33 10.299 5.969 0.753 1.00 0.00 H new ATOM 0 HA ASN A 33 9.129 8.491 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.262 7.134 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.724 7.975 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.612 8.403 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.861 10.104 3.948 1.00 0.00 H new ATOM 278 N GLU A 34 12.351 8.689 -0.176 1.00 0.00 N ATOM 279 CA GLU A 34 13.343 9.516 -0.924 1.00 0.00 C ATOM 280 C GLU A 34 12.836 9.941 -2.291 1.00 0.00 C ATOM 281 O GLU A 34 13.167 11.011 -2.763 1.00 0.00 O ATOM 282 CB GLU A 34 14.629 8.697 -1.115 1.00 0.00 C ATOM 283 CG GLU A 34 15.445 8.730 0.181 1.00 0.00 C ATOM 284 CD GLU A 34 16.673 7.831 0.026 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.472 6.628 0.060 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.743 8.398 -0.122 1.00 0.00 O ATOM 0 H GLU A 34 12.745 7.912 0.354 1.00 0.00 H new ATOM 0 HA GLU A 34 13.524 10.418 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.383 7.668 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.215 9.105 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.753 9.751 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.835 8.391 1.018 1.00 0.00 H new ATOM 293 N LYS A 35 12.046 9.115 -2.905 1.00 0.00 N ATOM 294 CA LYS A 35 11.528 9.490 -4.243 1.00 0.00 C ATOM 295 C LYS A 35 10.214 10.218 -4.134 1.00 0.00 C ATOM 296 O LYS A 35 9.962 11.171 -4.846 1.00 0.00 O ATOM 297 CB LYS A 35 11.323 8.230 -5.062 1.00 0.00 C ATOM 298 CG LYS A 35 12.003 8.420 -6.417 1.00 0.00 C ATOM 299 CD LYS A 35 11.379 9.621 -7.142 1.00 0.00 C ATOM 300 CE LYS A 35 11.312 9.316 -8.638 1.00 0.00 C ATOM 301 NZ LYS A 35 10.161 8.426 -8.937 1.00 0.00 N ATOM 0 H LYS A 35 11.740 8.210 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 35 12.252 10.150 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.744 7.368 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.259 8.033 -5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.072 8.581 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.891 7.519 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.380 9.819 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.973 10.518 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.217 10.245 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.239 8.842 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.508 7.467 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.522 8.397 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.646 8.790 -9.764 1.00 0.00 H new ATOM 315 N LEU A 36 9.399 9.761 -3.251 1.00 0.00 N ATOM 316 CA LEU A 36 8.085 10.408 -3.068 1.00 0.00 C ATOM 317 C LEU A 36 8.235 11.678 -2.243 1.00 0.00 C ATOM 318 O LEU A 36 7.262 12.264 -1.812 1.00 0.00 O ATOM 319 CB LEU A 36 7.164 9.427 -2.323 1.00 0.00 C ATOM 320 CG LEU A 36 6.311 8.672 -3.348 1.00 0.00 C ATOM 321 CD1 LEU A 36 7.224 7.854 -4.258 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.346 7.724 -2.623 1.00 0.00 C ATOM 0 H LEU A 36 9.582 8.963 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 36 7.665 10.668 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.757 8.726 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.524 9.967 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 36 5.741 9.389 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.621 7.315 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.913 8.521 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.791 7.141 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.742 7.190 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.916 7.008 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.694 8.300 -1.967 1.00 0.00 H new ATOM 334 N ARG A 37 9.461 12.081 -2.043 1.00 0.00 N ATOM 335 CA ARG A 37 9.714 13.301 -1.255 1.00 0.00 C ATOM 336 C ARG A 37 8.948 14.490 -1.796 1.00 0.00 C ATOM 337 O ARG A 37 7.856 14.790 -1.350 1.00 0.00 O ATOM 338 CB ARG A 37 11.202 13.611 -1.347 1.00 0.00 C ATOM 339 CG ARG A 37 11.942 12.874 -0.244 1.00 0.00 C ATOM 340 CD ARG A 37 12.015 13.772 0.988 1.00 0.00 C ATOM 341 NE ARG A 37 12.333 12.937 2.182 1.00 0.00 N ATOM 342 CZ ARG A 37 13.180 13.382 3.071 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.263 13.989 2.666 1.00 0.00 N ATOM 344 NH2 ARG A 37 12.915 13.205 4.336 1.00 0.00 N ATOM 0 H ARG A 37 10.294 11.610 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 37 9.391 13.127 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.587 13.311 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.367 14.685 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.429 11.943 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.945 12.607 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.778 14.538 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.067 14.290 1.133 1.00 0.00 H new ATOM 0 HE ARG A 37 11.892 12.025 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.437 14.110 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.935 14.342 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.059 12.726 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.564 13.545 5.045 1.00 0.00 H new ATOM 358 N ASP A 38 9.541 15.143 -2.752 1.00 0.00 N ATOM 359 CA ASP A 38 8.884 16.336 -3.360 1.00 0.00 C ATOM 360 C ASP A 38 8.334 16.033 -4.749 1.00 0.00 C ATOM 361 O ASP A 38 8.630 16.730 -5.699 1.00 0.00 O ATOM 362 CB ASP A 38 9.935 17.448 -3.484 1.00 0.00 C ATOM 363 CG ASP A 38 9.249 18.749 -3.907 1.00 0.00 C ATOM 364 OD1 ASP A 38 8.441 19.215 -3.121 1.00 0.00 O ATOM 365 OD2 ASP A 38 9.573 19.202 -4.992 1.00 0.00 O ATOM 0 H ASP A 38 10.453 14.904 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 38 8.051 16.635 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.448 17.587 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.692 17.168 -4.216 1.00 0.00 H new ATOM 370 N THR A 39 7.545 15.000 -4.846 1.00 0.00 N ATOM 371 CA THR A 39 6.971 14.648 -6.167 1.00 0.00 C ATOM 372 C THR A 39 5.604 15.295 -6.328 1.00 0.00 C ATOM 373 O THR A 39 5.301 16.272 -5.674 1.00 0.00 O ATOM 374 CB THR A 39 6.812 13.127 -6.241 1.00 0.00 C ATOM 375 OG1 THR A 39 7.790 12.608 -5.366 1.00 0.00 O ATOM 376 CG2 THR A 39 7.218 12.603 -7.627 1.00 0.00 C ATOM 0 H THR A 39 7.276 14.391 -4.073 1.00 0.00 H new ATOM 0 HA THR A 39 7.632 15.003 -6.958 1.00 0.00 H new ATOM 0 HB THR A 39 5.782 12.851 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.404 12.031 -5.867 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.097 11.520 -7.656 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.585 13.060 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.260 12.857 -7.821 1.00 0.00 H new ATOM 384 N ALA A 40 4.802 14.749 -7.192 1.00 0.00 N ATOM 385 CA ALA A 40 3.455 15.335 -7.392 1.00 0.00 C ATOM 386 C ALA A 40 2.624 15.210 -6.117 1.00 0.00 C ATOM 387 O ALA A 40 3.133 14.822 -5.084 1.00 0.00 O ATOM 388 CB ALA A 40 2.751 14.572 -8.527 1.00 0.00 C ATOM 0 H ALA A 40 5.018 13.931 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 40 3.556 16.391 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.758 14.992 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.335 14.663 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.661 13.520 -8.257 1.00 0.00 H new ATOM 394 N ASP A 41 1.358 15.535 -6.216 1.00 0.00 N ATOM 395 CA ASP A 41 0.473 15.445 -5.021 1.00 0.00 C ATOM 396 C ASP A 41 -0.450 14.237 -5.128 1.00 0.00 C ATOM 397 O ASP A 41 -1.655 14.373 -5.195 1.00 0.00 O ATOM 398 CB ASP A 41 -0.383 16.722 -4.952 1.00 0.00 C ATOM 399 CG ASP A 41 -1.017 16.832 -3.563 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.801 15.950 -3.255 1.00 0.00 O ATOM 401 OD2 ASP A 41 -0.681 17.791 -2.888 1.00 0.00 O ATOM 0 H ASP A 41 0.904 15.857 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 41 1.087 15.340 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.233 17.598 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.159 16.695 -5.717 1.00 0.00 H new ATOM 406 N GLY A 42 0.140 13.074 -5.148 1.00 0.00 N ATOM 407 CA GLY A 42 -0.678 11.830 -5.250 1.00 0.00 C ATOM 408 C GLY A 42 0.079 10.767 -6.044 1.00 0.00 C ATOM 409 O GLY A 42 -0.281 10.450 -7.159 1.00 0.00 O ATOM 0 H GLY A 42 1.149 12.930 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.909 11.455 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.629 12.050 -5.736 1.00 0.00 H new ATOM 413 N THR A 43 1.112 10.233 -5.446 1.00 0.00 N ATOM 414 CA THR A 43 1.913 9.186 -6.148 1.00 0.00 C ATOM 415 C THR A 43 1.588 7.793 -5.609 1.00 0.00 C ATOM 416 O THR A 43 0.850 7.663 -4.658 1.00 0.00 O ATOM 417 CB THR A 43 3.384 9.479 -5.867 1.00 0.00 C ATOM 418 OG1 THR A 43 3.489 10.889 -5.850 1.00 0.00 O ATOM 419 CG2 THR A 43 4.274 9.048 -7.032 1.00 0.00 C ATOM 0 H THR A 43 1.434 10.474 -4.509 1.00 0.00 H new ATOM 0 HA THR A 43 1.685 9.205 -7.214 1.00 0.00 H new ATOM 0 HB THR A 43 3.685 8.967 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.418 11.146 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.315 9.272 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.162 7.977 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.981 9.588 -7.933 1.00 0.00 H new ATOM 427 N PHE A 44 2.137 6.763 -6.233 1.00 0.00 N ATOM 428 CA PHE A 44 1.847 5.384 -5.733 1.00 0.00 C ATOM 429 C PHE A 44 2.771 4.322 -6.319 1.00 0.00 C ATOM 430 O PHE A 44 2.911 4.191 -7.518 1.00 0.00 O ATOM 431 CB PHE A 44 0.384 5.021 -6.057 1.00 0.00 C ATOM 432 CG PHE A 44 0.170 4.896 -7.572 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.126 6.022 -8.378 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.065 3.652 -8.146 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.156 5.904 -9.729 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.344 3.542 -9.488 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.390 4.662 -10.276 1.00 0.00 C ATOM 0 H PHE A 44 2.755 6.822 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 44 2.020 5.395 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.123 4.081 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.282 5.784 -5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.312 6.996 -7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.028 2.764 -7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.192 6.785 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.527 2.570 -9.922 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.610 4.570 -11.329 1.00 0.00 H new ATOM 447 N LEU A 45 3.390 3.581 -5.423 1.00 0.00 N ATOM 448 CA LEU A 45 4.322 2.502 -5.843 1.00 0.00 C ATOM 449 C LEU A 45 4.221 1.321 -4.862 1.00 0.00 C ATOM 450 O LEU A 45 3.336 1.300 -4.028 1.00 0.00 O ATOM 451 CB LEU A 45 5.764 3.045 -5.849 1.00 0.00 C ATOM 452 CG LEU A 45 5.955 4.073 -4.724 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.590 3.447 -3.376 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.423 4.490 -4.688 1.00 0.00 C ATOM 0 H LEU A 45 3.282 3.686 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 45 4.056 2.162 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.469 2.223 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.981 3.506 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 45 5.314 4.935 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.728 4.183 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.549 3.125 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.233 2.587 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.574 5.221 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.045 3.615 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.699 4.933 -5.645 1.00 0.00 H new ATOM 466 N VAL A 46 5.127 0.362 -4.969 1.00 0.00 N ATOM 467 CA VAL A 46 5.069 -0.813 -4.031 1.00 0.00 C ATOM 468 C VAL A 46 6.188 -0.763 -3.001 1.00 0.00 C ATOM 469 O VAL A 46 7.236 -0.190 -3.227 1.00 0.00 O ATOM 470 CB VAL A 46 5.182 -2.134 -4.867 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.064 -3.181 -4.155 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.782 -2.734 -5.027 1.00 0.00 C ATOM 0 H VAL A 46 5.886 0.344 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 46 4.121 -0.781 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 46 5.630 -1.888 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.120 -4.084 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.066 -2.776 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.630 -3.423 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.845 -3.655 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.365 -2.952 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.138 -2.023 -5.544 1.00 0.00 H new ATOM 482 N ARG A 47 5.923 -1.373 -1.888 1.00 0.00 N ATOM 483 CA ARG A 47 6.894 -1.418 -0.795 1.00 0.00 C ATOM 484 C ARG A 47 7.019 -2.861 -0.325 1.00 0.00 C ATOM 485 O ARG A 47 6.120 -3.390 0.302 1.00 0.00 O ATOM 486 CB ARG A 47 6.368 -0.543 0.348 1.00 0.00 C ATOM 487 CG ARG A 47 7.518 -0.207 1.311 1.00 0.00 C ATOM 488 CD ARG A 47 7.957 -1.474 2.053 1.00 0.00 C ATOM 489 NE ARG A 47 8.432 -1.093 3.412 1.00 0.00 N ATOM 490 CZ ARG A 47 8.282 -1.931 4.400 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.183 -2.856 4.585 1.00 0.00 N ATOM 492 NH2 ARG A 47 7.236 -1.815 5.173 1.00 0.00 N ATOM 0 H ARG A 47 5.044 -1.854 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 47 7.869 -1.053 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.935 0.374 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.573 -1.064 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.358 0.211 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.197 0.552 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.126 -2.176 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.752 -1.978 1.503 1.00 0.00 H new ATOM 0 HE ARG A 47 8.870 -0.185 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.988 -2.915 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.082 -3.520 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.553 -1.078 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.102 -2.461 5.951 1.00 0.00 H new ATOM 506 N ASP A 48 8.118 -3.475 -0.658 1.00 0.00 N ATOM 507 CA ASP A 48 8.333 -4.890 -0.252 1.00 0.00 C ATOM 508 C ASP A 48 7.816 -5.176 1.147 1.00 0.00 C ATOM 509 O ASP A 48 8.130 -4.480 2.092 1.00 0.00 O ATOM 510 CB ASP A 48 9.833 -5.173 -0.286 1.00 0.00 C ATOM 511 CG ASP A 48 10.160 -6.291 0.703 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.735 -7.401 0.426 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.815 -5.974 1.683 1.00 0.00 O ATOM 0 H ASP A 48 8.878 -3.057 -1.195 1.00 0.00 H new ATOM 0 HA ASP A 48 7.783 -5.528 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.137 -5.462 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.390 -4.272 -0.031 1.00 0.00 H new ATOM 518 N ALA A 49 7.021 -6.208 1.245 1.00 0.00 N ATOM 519 CA ALA A 49 6.457 -6.584 2.560 1.00 0.00 C ATOM 520 C ALA A 49 7.300 -7.675 3.219 1.00 0.00 C ATOM 521 O ALA A 49 7.607 -8.679 2.605 1.00 0.00 O ATOM 522 CB ALA A 49 5.043 -7.132 2.328 1.00 0.00 C ATOM 0 H ALA A 49 6.741 -6.804 0.466 1.00 0.00 H new ATOM 0 HA ALA A 49 6.445 -5.710 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.602 -7.418 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.427 -6.364 1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.093 -8.004 1.676 1.00 0.00 H new ATOM 616 N ASP A 56 2.665 -10.438 0.635 1.00 0.00 N ATOM 617 CA ASP A 56 3.102 -10.058 -0.725 1.00 0.00 C ATOM 618 C ASP A 56 3.819 -8.693 -0.697 1.00 0.00 C ATOM 619 O ASP A 56 5.032 -8.643 -0.683 1.00 0.00 O ATOM 620 CB ASP A 56 1.852 -10.006 -1.626 1.00 0.00 C ATOM 621 CG ASP A 56 2.043 -10.946 -2.826 1.00 0.00 C ATOM 622 OD1 ASP A 56 3.158 -10.978 -3.321 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.060 -11.578 -3.179 1.00 0.00 O ATOM 0 HA ASP A 56 3.810 -10.789 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.969 -10.300 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.683 -8.987 -1.973 1.00 0.00 H new ATOM 628 N TYR A 57 3.066 -7.613 -0.704 1.00 0.00 N ATOM 629 CA TYR A 57 3.710 -6.279 -0.674 1.00 0.00 C ATOM 630 C TYR A 57 2.904 -5.303 0.167 1.00 0.00 C ATOM 631 O TYR A 57 2.026 -5.684 0.916 1.00 0.00 O ATOM 632 CB TYR A 57 3.766 -5.729 -2.104 1.00 0.00 C ATOM 633 CG TYR A 57 4.502 -6.714 -3.004 1.00 0.00 C ATOM 634 CD1 TYR A 57 3.816 -7.714 -3.640 1.00 0.00 C ATOM 635 CD2 TYR A 57 5.860 -6.632 -3.164 1.00 0.00 C ATOM 636 CE1 TYR A 57 4.477 -8.628 -4.422 1.00 0.00 C ATOM 637 CE2 TYR A 57 6.526 -7.544 -3.946 1.00 0.00 C ATOM 638 CZ TYR A 57 5.840 -8.552 -4.583 1.00 0.00 C ATOM 639 OH TYR A 57 6.505 -9.468 -5.372 1.00 0.00 O ATOM 0 H TYR A 57 2.046 -7.608 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 57 4.706 -6.387 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.756 -5.562 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.273 -4.764 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.744 -7.784 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.411 -5.844 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.922 -9.413 -4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.597 -7.469 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 57 7.463 -9.263 -5.374 1.00 0.00 H new ATOM 649 N THR A 58 3.237 -4.064 0.029 1.00 0.00 N ATOM 650 CA THR A 58 2.537 -3.018 0.780 1.00 0.00 C ATOM 651 C THR A 58 2.385 -1.810 -0.110 1.00 0.00 C ATOM 652 O THR A 58 3.357 -1.162 -0.446 1.00 0.00 O ATOM 653 CB THR A 58 3.376 -2.646 1.997 1.00 0.00 C ATOM 654 OG1 THR A 58 2.874 -3.445 3.049 1.00 0.00 O ATOM 655 CG2 THR A 58 3.093 -1.197 2.447 1.00 0.00 C ATOM 0 H THR A 58 3.979 -3.729 -0.585 1.00 0.00 H new ATOM 0 HA THR A 58 1.556 -3.368 1.102 1.00 0.00 H new ATOM 0 HB THR A 58 4.434 -2.772 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.495 -4.271 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.706 -0.960 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.334 -0.510 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.039 -1.096 2.707 1.00 0.00 H new ATOM 663 N LEU A 59 1.187 -1.523 -0.495 1.00 0.00 N ATOM 664 CA LEU A 59 0.994 -0.356 -1.364 1.00 0.00 C ATOM 665 C LEU A 59 1.238 0.905 -0.575 1.00 0.00 C ATOM 666 O LEU A 59 0.984 0.949 0.599 1.00 0.00 O ATOM 667 CB LEU A 59 -0.446 -0.388 -1.917 1.00 0.00 C ATOM 668 CG LEU A 59 -0.424 -0.644 -3.431 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.003 -2.093 -3.692 1.00 0.00 C ATOM 670 CD2 LEU A 59 -1.837 -0.442 -3.985 1.00 0.00 C ATOM 0 H LEU A 59 0.343 -2.040 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 59 1.698 -0.379 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.019 -1.169 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.946 0.558 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 59 0.276 0.040 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.014 -2.279 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.991 -2.263 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.714 -2.770 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.835 -0.621 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.520 -1.140 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.163 0.579 -3.788 1.00 0.00 H new ATOM 682 N THR A 60 1.802 1.887 -1.220 1.00 0.00 N ATOM 683 CA THR A 60 2.072 3.156 -0.515 1.00 0.00 C ATOM 684 C THR A 60 1.866 4.336 -1.457 1.00 0.00 C ATOM 685 O THR A 60 2.408 4.354 -2.545 1.00 0.00 O ATOM 686 CB THR A 60 3.525 3.147 -0.028 1.00 0.00 C ATOM 687 OG1 THR A 60 3.466 2.710 1.316 1.00 0.00 O ATOM 688 CG2 THR A 60 4.086 4.581 0.059 1.00 0.00 C ATOM 0 H THR A 60 2.084 1.860 -2.200 1.00 0.00 H new ATOM 0 HA THR A 60 1.389 3.255 0.328 1.00 0.00 H new ATOM 0 HB THR A 60 4.133 2.538 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.738 2.062 1.418 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.118 4.547 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.050 5.046 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.486 5.164 0.758 1.00 0.00 H new ATOM 696 N LEU A 61 1.083 5.304 -1.021 1.00 0.00 N ATOM 697 CA LEU A 61 0.831 6.496 -1.888 1.00 0.00 C ATOM 698 C LEU A 61 1.229 7.787 -1.203 1.00 0.00 C ATOM 699 O LEU A 61 1.062 7.938 -0.014 1.00 0.00 O ATOM 700 CB LEU A 61 -0.674 6.575 -2.234 1.00 0.00 C ATOM 701 CG LEU A 61 -1.401 5.314 -1.766 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.902 5.467 -2.039 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.871 4.104 -2.543 1.00 0.00 C ATOM 0 H LEU A 61 0.616 5.316 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 61 1.434 6.378 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.116 7.452 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.799 6.695 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.231 5.169 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.425 4.570 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.284 6.332 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.065 5.608 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.388 3.204 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.046 4.251 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.199 3.996 -2.363 1.00 0.00 H new ATOM 715 N ARG A 62 1.751 8.704 -1.980 1.00 0.00 N ATOM 716 CA ARG A 62 2.167 9.991 -1.403 1.00 0.00 C ATOM 717 C ARG A 62 0.967 10.902 -1.289 1.00 0.00 C ATOM 718 O ARG A 62 0.410 11.329 -2.293 1.00 0.00 O ATOM 719 CB ARG A 62 3.205 10.636 -2.341 1.00 0.00 C ATOM 720 CG ARG A 62 3.672 11.977 -1.758 1.00 0.00 C ATOM 721 CD ARG A 62 4.306 11.742 -0.381 1.00 0.00 C ATOM 722 NE ARG A 62 5.366 12.773 -0.150 1.00 0.00 N ATOM 723 CZ ARG A 62 6.279 12.574 0.771 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.381 11.395 1.328 1.00 0.00 N ATOM 725 NH2 ARG A 62 7.056 13.567 1.110 1.00 0.00 N ATOM 0 H ARG A 62 1.901 8.605 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 62 2.598 9.835 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.057 9.968 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.770 10.790 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.394 12.445 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.828 12.661 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.546 11.802 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.736 10.742 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 62 5.379 13.628 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.754 10.641 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.087 11.229 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.947 14.476 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.772 13.433 1.824 1.00 0.00 H new ATOM 739 N LYS A 63 0.592 11.176 -0.066 1.00 0.00 N ATOM 740 CA LYS A 63 -0.575 12.055 0.188 1.00 0.00 C ATOM 741 C LYS A 63 -0.149 13.532 0.291 1.00 0.00 C ATOM 742 O LYS A 63 -0.127 14.120 1.355 1.00 0.00 O ATOM 743 CB LYS A 63 -1.200 11.585 1.521 1.00 0.00 C ATOM 744 CG LYS A 63 -2.730 11.586 1.442 1.00 0.00 C ATOM 745 CD LYS A 63 -3.269 10.824 2.658 1.00 0.00 C ATOM 746 CE LYS A 63 -4.544 11.501 3.162 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.537 11.628 2.061 1.00 0.00 N ATOM 0 H LYS A 63 1.053 10.822 0.772 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.289 11.988 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.845 10.582 1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.874 12.239 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.110 12.608 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.064 11.114 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.477 9.789 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.519 10.803 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.972 10.921 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.306 12.487 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.481 11.798 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.274 12.425 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.551 10.750 1.503 1.00 0.00 H new ATOM 761 N GLY A 64 0.183 14.099 -0.828 1.00 0.00 N ATOM 762 CA GLY A 64 0.608 15.531 -0.834 1.00 0.00 C ATOM 763 C GLY A 64 1.851 15.746 0.042 1.00 0.00 C ATOM 764 O GLY A 64 2.332 16.854 0.171 1.00 0.00 O ATOM 0 H GLY A 64 0.181 13.640 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.821 15.845 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.208 16.157 -0.472 1.00 0.00 H new ATOM 768 N GLY A 65 2.343 14.688 0.628 1.00 0.00 N ATOM 769 CA GLY A 65 3.552 14.834 1.494 1.00 0.00 C ATOM 770 C GLY A 65 3.585 13.747 2.563 1.00 0.00 C ATOM 771 O GLY A 65 4.636 13.391 3.060 1.00 0.00 O ATOM 0 H GLY A 65 1.969 13.743 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.452 14.777 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.550 15.816 1.967 1.00 0.00 H new ATOM 775 N ASN A 66 2.433 13.244 2.892 1.00 0.00 N ATOM 776 CA ASN A 66 2.363 12.182 3.922 1.00 0.00 C ATOM 777 C ASN A 66 2.268 10.818 3.263 1.00 0.00 C ATOM 778 O ASN A 66 1.286 10.504 2.628 1.00 0.00 O ATOM 779 CB ASN A 66 1.103 12.416 4.768 1.00 0.00 C ATOM 780 CG ASN A 66 1.339 11.890 6.186 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.719 10.651 6.349 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 1.180 12.602 7.157 1.00 0.00 N flip ATOM 0 H ASN A 66 1.538 13.523 2.491 1.00 0.00 H new ATOM 0 HA ASN A 66 3.259 12.213 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.863 13.479 4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.250 11.909 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.883 13.570 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.343 12.232 8.093 1.00 0.00 H new ATOM 789 N ASN A 67 3.287 10.030 3.420 1.00 0.00 N ATOM 790 CA ASN A 67 3.263 8.697 2.810 1.00 0.00 C ATOM 791 C ASN A 67 2.185 7.823 3.441 1.00 0.00 C ATOM 792 O ASN A 67 2.274 7.458 4.596 1.00 0.00 O ATOM 793 CB ASN A 67 4.628 8.048 3.042 1.00 0.00 C ATOM 794 CG ASN A 67 5.053 8.262 4.494 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.857 9.248 4.779 1.00 0.00 O flip ATOM 796 ND2 ASN A 67 4.657 7.532 5.382 1.00 0.00 N flip ATOM 0 H ASN A 67 4.131 10.258 3.945 1.00 0.00 H new ATOM 0 HA ASN A 67 3.044 8.793 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.578 6.982 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.367 8.480 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.028 6.759 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.954 7.692 6.345 1.00 0.00 H new ATOM 803 N LYS A 68 1.184 7.507 2.669 1.00 0.00 N ATOM 804 CA LYS A 68 0.098 6.665 3.189 1.00 0.00 C ATOM 805 C LYS A 68 0.455 5.204 2.975 1.00 0.00 C ATOM 806 O LYS A 68 0.980 4.852 1.941 1.00 0.00 O ATOM 807 CB LYS A 68 -1.162 6.995 2.386 1.00 0.00 C ATOM 808 CG LYS A 68 -2.385 6.896 3.284 1.00 0.00 C ATOM 809 CD LYS A 68 -3.598 6.636 2.404 1.00 0.00 C ATOM 810 CE LYS A 68 -4.875 6.760 3.244 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.765 5.945 4.486 1.00 0.00 N ATOM 0 H LYS A 68 1.080 7.802 1.698 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.059 6.845 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.086 7.999 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.260 6.307 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.261 6.091 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.517 7.818 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.622 7.348 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.535 5.641 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.047 7.805 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.734 6.430 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.711 5.803 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.344 5.022 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.163 6.440 5.174 1.00 0.00 H new ATOM 825 N LEU A 69 0.168 4.379 3.952 1.00 0.00 N ATOM 826 CA LEU A 69 0.495 2.931 3.809 1.00 0.00 C ATOM 827 C LEU A 69 -0.746 2.064 3.622 1.00 0.00 C ATOM 828 O LEU A 69 -1.675 2.120 4.401 1.00 0.00 O ATOM 829 CB LEU A 69 1.208 2.477 5.091 1.00 0.00 C ATOM 830 CG LEU A 69 2.158 1.325 4.750 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.528 1.891 4.364 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.314 0.423 5.974 1.00 0.00 C ATOM 0 H LEU A 69 -0.274 4.644 4.832 1.00 0.00 H new ATOM 0 HA LEU A 69 1.119 2.814 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.764 3.307 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.478 2.156 5.835 1.00 0.00 H new ATOM 0 HG LEU A 69 1.752 0.751 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.205 1.072 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.421 2.543 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.934 2.462 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.989 -0.399 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.723 1.001 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.341 0.022 6.257 1.00 0.00 H new ATOM 844 N ILE A 70 -0.724 1.275 2.571 1.00 0.00 N ATOM 845 CA ILE A 70 -1.873 0.371 2.276 1.00 0.00 C ATOM 846 C ILE A 70 -1.389 -1.066 2.335 1.00 0.00 C ATOM 847 O ILE A 70 -0.229 -1.333 2.101 1.00 0.00 O ATOM 848 CB ILE A 70 -2.399 0.617 0.859 1.00 0.00 C ATOM 849 CG1 ILE A 70 -2.014 1.995 0.327 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.929 0.500 0.860 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.671 3.089 1.151 1.00 0.00 C ATOM 0 H ILE A 70 0.047 1.222 1.905 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.662 0.562 3.004 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.947 -0.132 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.931 2.112 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.317 2.086 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.308 0.674 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.217 -0.499 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.350 1.241 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.384 4.064 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.755 2.981 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.346 3.008 2.188 1.00 0.00 H new ATOM 863 N LYS A 71 -2.288 -1.969 2.591 1.00 0.00 N ATOM 864 CA LYS A 71 -1.880 -3.404 2.670 1.00 0.00 C ATOM 865 C LYS A 71 -2.403 -4.240 1.503 1.00 0.00 C ATOM 866 O LYS A 71 -3.392 -3.913 0.878 1.00 0.00 O ATOM 867 CB LYS A 71 -2.449 -3.982 3.972 1.00 0.00 C ATOM 868 CG LYS A 71 -1.339 -4.735 4.703 1.00 0.00 C ATOM 869 CD LYS A 71 -1.927 -5.447 5.923 1.00 0.00 C ATOM 870 CE LYS A 71 -1.911 -6.958 5.687 1.00 0.00 C ATOM 871 NZ LYS A 71 -2.411 -7.675 6.893 1.00 0.00 N ATOM 0 H LYS A 71 -3.279 -1.784 2.748 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.791 -3.444 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.840 -3.182 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.281 -4.653 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.874 -5.459 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.558 -4.042 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.350 -5.201 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.947 -5.106 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.531 -7.205 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.898 -7.286 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.395 -8.700 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.803 -7.452 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.385 -7.374 7.097 1.00 0.00 H new ATOM 885 N ILE A 72 -1.694 -5.311 1.240 1.00 0.00 N ATOM 886 CA ILE A 72 -2.074 -6.231 0.136 1.00 0.00 C ATOM 887 C ILE A 72 -2.467 -7.574 0.757 1.00 0.00 C ATOM 888 O ILE A 72 -1.662 -8.193 1.427 1.00 0.00 O ATOM 889 CB ILE A 72 -0.831 -6.427 -0.760 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.744 -5.324 -1.837 1.00 0.00 C ATOM 891 CG2 ILE A 72 -0.893 -7.816 -1.440 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.694 -5.621 -3.018 1.00 0.00 C ATOM 0 H ILE A 72 -0.857 -5.586 1.754 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.903 -5.834 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 72 0.058 -6.364 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.998 -4.360 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.281 -5.248 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.015 -7.951 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.915 -8.594 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.793 -7.882 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.611 -4.827 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.422 -6.573 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.721 -5.672 -2.655 1.00 0.00 H new ATOM 904 N PHE A 73 -3.690 -8.009 0.526 1.00 0.00 N ATOM 905 CA PHE A 73 -4.119 -9.311 1.115 1.00 0.00 C ATOM 906 C PHE A 73 -4.071 -10.442 0.089 1.00 0.00 C ATOM 907 O PHE A 73 -4.930 -10.547 -0.760 1.00 0.00 O ATOM 908 CB PHE A 73 -5.569 -9.169 1.644 1.00 0.00 C ATOM 909 CG PHE A 73 -6.050 -7.702 1.532 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.292 -6.656 2.049 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.244 -7.404 0.894 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.720 -5.350 1.917 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.665 -6.095 0.766 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.902 -5.072 1.277 1.00 0.00 C ATOM 0 H PHE A 73 -4.392 -7.525 -0.034 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.432 -9.561 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.234 -9.820 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.616 -9.494 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.363 -6.867 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.851 -8.203 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.123 -4.545 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.595 -5.875 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.233 -4.049 1.175 1.00 0.00 H new ATOM 924 N HIS A 74 -3.055 -11.267 0.199 1.00 0.00 N ATOM 925 CA HIS A 74 -2.904 -12.412 -0.745 1.00 0.00 C ATOM 926 C HIS A 74 -3.029 -13.735 0.014 1.00 0.00 C ATOM 927 O HIS A 74 -2.933 -13.756 1.225 1.00 0.00 O ATOM 928 CB HIS A 74 -1.504 -12.333 -1.365 1.00 0.00 C ATOM 929 CG HIS A 74 -0.967 -13.748 -1.590 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.146 -14.326 -0.848 1.00 0.00 N ATOM 931 CD2 HIS A 74 -1.258 -14.651 -2.592 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.116 -15.493 -1.266 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.550 -15.794 -2.381 1.00 0.00 N ATOM 0 H HIS A 74 -2.324 -11.193 0.906 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.677 -12.364 -1.512 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.543 -11.792 -2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.834 -11.778 -0.708 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.262 -13.911 -0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.939 -14.478 -3.412 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.801 -16.168 -0.775 1.00 0.00 H new ATOM 941 N ARG A 75 -3.240 -14.818 -0.709 1.00 0.00 N ATOM 942 CA ARG A 75 -3.371 -16.138 -0.021 1.00 0.00 C ATOM 943 C ARG A 75 -2.597 -17.230 -0.756 1.00 0.00 C ATOM 944 O ARG A 75 -1.522 -17.613 -0.341 1.00 0.00 O ATOM 945 CB ARG A 75 -4.859 -16.521 0.014 1.00 0.00 C ATOM 946 CG ARG A 75 -5.446 -16.114 1.372 1.00 0.00 C ATOM 947 CD ARG A 75 -6.945 -16.422 1.387 1.00 0.00 C ATOM 948 NE ARG A 75 -7.593 -15.621 2.464 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.660 -16.087 3.055 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.808 -16.001 2.441 1.00 0.00 N ATOM 951 NH2 ARG A 75 -8.542 -16.625 4.238 1.00 0.00 N ATOM 0 H ARG A 75 -3.325 -14.840 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.962 -16.049 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.396 -16.022 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.976 -17.594 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.944 -16.654 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.279 -15.052 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.389 -16.182 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.109 -17.486 1.558 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.207 -14.717 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.861 -15.575 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.653 -16.359 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.627 -16.676 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.365 -16.994 4.715 1.00 0.00 H new ATOM 965 N ASP A 76 -3.153 -17.712 -1.832 1.00 0.00 N ATOM 966 CA ASP A 76 -2.452 -18.776 -2.592 1.00 0.00 C ATOM 967 C ASP A 76 -1.539 -18.183 -3.656 1.00 0.00 C ATOM 968 O ASP A 76 -0.338 -18.362 -3.614 1.00 0.00 O ATOM 969 CB ASP A 76 -3.500 -19.647 -3.276 1.00 0.00 C ATOM 970 CG ASP A 76 -2.810 -20.585 -4.270 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.809 -21.156 -3.869 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.323 -20.676 -5.372 1.00 0.00 O ATOM 0 H ASP A 76 -4.052 -17.418 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.843 -19.358 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.049 -20.226 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.227 -19.022 -3.794 1.00 0.00 H new ATOM 977 N GLY A 77 -2.124 -17.487 -4.591 1.00 0.00 N ATOM 978 CA GLY A 77 -1.299 -16.873 -5.670 1.00 0.00 C ATOM 979 C GLY A 77 -2.046 -15.705 -6.308 1.00 0.00 C ATOM 980 O GLY A 77 -1.605 -15.147 -7.295 1.00 0.00 O ATOM 0 H GLY A 77 -3.128 -17.318 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.351 -16.526 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.064 -17.621 -6.428 1.00 0.00 H new ATOM 984 N LYS A 78 -3.168 -15.360 -5.726 1.00 0.00 N ATOM 985 CA LYS A 78 -3.964 -14.246 -6.263 1.00 0.00 C ATOM 986 C LYS A 78 -3.763 -13.001 -5.391 1.00 0.00 C ATOM 987 O LYS A 78 -2.686 -12.793 -4.868 1.00 0.00 O ATOM 988 CB LYS A 78 -5.439 -14.694 -6.252 1.00 0.00 C ATOM 989 CG LYS A 78 -5.742 -15.442 -4.951 1.00 0.00 C ATOM 990 CD LYS A 78 -7.252 -15.709 -4.878 1.00 0.00 C ATOM 991 CE LYS A 78 -7.520 -16.908 -3.961 1.00 0.00 C ATOM 992 NZ LYS A 78 -7.114 -16.600 -2.562 1.00 0.00 N ATOM 0 H LYS A 78 -3.557 -15.812 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.657 -13.991 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.093 -13.827 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.640 -15.338 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.190 -16.381 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.420 -14.853 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.769 -14.827 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.645 -15.906 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.579 -17.165 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.971 -17.778 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.599 -17.411 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.499 -15.762 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.961 -16.412 -1.988 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.776 -12.186 -5.251 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.604 -10.979 -4.415 1.00 0.00 C ATOM 1008 C TYR A 79 -5.906 -10.570 -3.770 1.00 0.00 C ATOM 1009 O TYR A 79 -6.958 -11.063 -4.119 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.124 -9.838 -5.312 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.629 -9.981 -5.551 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.162 -10.792 -6.560 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.727 -9.301 -4.764 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.811 -10.924 -6.782 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.374 -9.431 -4.983 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.097 -10.244 -5.996 1.00 0.00 C ATOM 1017 OH TYR A 79 1.453 -10.374 -6.217 1.00 0.00 O ATOM 0 H TYR A 79 -5.696 -12.307 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.882 -11.197 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.659 -9.857 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.339 -8.877 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.862 -11.329 -7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.083 -8.662 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.458 -11.564 -7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.324 -8.894 -4.358 1.00 0.00 H new ATOM 0 HH TYR A 79 1.944 -9.824 -5.571 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.806 -9.667 -2.837 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.022 -9.191 -2.135 1.00 0.00 C ATOM 1029 C GLY A 80 -7.022 -7.670 -2.094 1.00 0.00 C ATOM 1030 O GLY A 80 -6.184 -7.060 -1.451 1.00 0.00 O ATOM 0 H GLY A 80 -4.932 -9.239 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.915 -9.552 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.051 -9.593 -1.122 1.00 0.00 H new ATOM 1034 N PHE A 81 -7.952 -7.089 -2.793 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.035 -5.621 -2.818 1.00 0.00 C ATOM 1036 C PHE A 81 -9.453 -5.179 -3.115 1.00 0.00 C ATOM 1037 O PHE A 81 -9.872 -4.103 -2.732 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.118 -5.115 -3.931 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.179 -4.069 -3.352 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.055 -4.451 -2.647 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.468 -2.725 -3.482 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.237 -3.503 -2.077 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.651 -1.779 -2.911 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.535 -2.168 -2.206 1.00 0.00 C ATOM 0 H PHE A 81 -8.657 -7.576 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.736 -5.220 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.548 -5.941 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.708 -4.686 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.817 -5.499 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.342 -2.415 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.359 -3.809 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.885 -0.730 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.894 -1.425 -1.755 1.00 0.00 H new ATOM 1054 N SER A 82 -10.162 -6.026 -3.796 1.00 0.00 N ATOM 1055 CA SER A 82 -11.567 -5.704 -4.149 1.00 0.00 C ATOM 1056 C SER A 82 -12.449 -6.931 -4.009 1.00 0.00 C ATOM 1057 O SER A 82 -13.167 -7.078 -3.040 1.00 0.00 O ATOM 1058 CB SER A 82 -11.593 -5.229 -5.602 1.00 0.00 C ATOM 1059 OG SER A 82 -12.809 -5.740 -6.128 1.00 0.00 O ATOM 0 H SER A 82 -9.828 -6.932 -4.125 1.00 0.00 H new ATOM 0 HA SER A 82 -11.944 -4.931 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.561 -4.141 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.733 -5.605 -6.157 1.00 0.00 H new ATOM 0 HG SER A 82 -12.898 -5.472 -7.066 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.381 -7.791 -4.976 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.209 -9.015 -4.914 1.00 0.00 C ATOM 1067 C ASP A 83 -12.701 -9.931 -3.783 1.00 0.00 C ATOM 1068 O ASP A 83 -11.542 -9.874 -3.439 1.00 0.00 O ATOM 1069 CB ASP A 83 -13.068 -9.760 -6.258 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.452 -9.919 -6.895 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -15.165 -8.928 -6.896 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.720 -11.024 -7.338 1.00 0.00 O ATOM 0 H ASP A 83 -11.791 -7.700 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.249 -8.750 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.409 -9.207 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.613 -10.738 -6.099 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.582 -10.764 -3.209 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.171 -11.664 -2.129 1.00 0.00 C ATOM 1079 C PRO A 84 -12.085 -12.635 -2.622 1.00 0.00 C ATOM 1080 O PRO A 84 -12.336 -13.806 -2.828 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.469 -12.437 -1.741 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.572 -12.021 -2.759 1.00 0.00 C ATOM 1083 CD PRO A 84 -15.005 -10.861 -3.597 1.00 0.00 C ATOM 0 HA PRO A 84 -12.745 -11.127 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.301 -13.513 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.773 -12.193 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.842 -12.861 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.479 -11.712 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.110 -11.058 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.534 -9.931 -3.391 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.886 -12.113 -2.791 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.759 -12.962 -3.268 1.00 0.00 C ATOM 1093 C LEU A 85 -10.249 -14.006 -4.267 1.00 0.00 C ATOM 1094 O LEU A 85 -10.088 -15.194 -4.068 1.00 0.00 O ATOM 1095 CB LEU A 85 -9.128 -13.654 -2.046 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.049 -12.736 -1.464 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.979 -12.928 0.044 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.700 -13.100 -2.080 1.00 0.00 C ATOM 0 H LEU A 85 -10.648 -11.136 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.022 -12.340 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.890 -13.864 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.694 -14.611 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.291 -11.697 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.211 -12.275 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.944 -12.681 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.732 -13.966 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.926 -12.451 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.463 -14.138 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.747 -12.971 -3.161 1.00 0.00 H new ATOM 1110 N THR A 86 -10.854 -13.524 -5.328 1.00 0.00 N ATOM 1111 CA THR A 86 -11.374 -14.445 -6.369 1.00 0.00 C ATOM 1112 C THR A 86 -10.832 -14.076 -7.744 1.00 0.00 C ATOM 1113 O THR A 86 -10.760 -14.911 -8.625 1.00 0.00 O ATOM 1114 CB THR A 86 -12.902 -14.331 -6.390 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.227 -13.468 -5.319 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.553 -15.672 -6.016 1.00 0.00 C ATOM 0 H THR A 86 -11.006 -12.532 -5.511 1.00 0.00 H new ATOM 0 HA THR A 86 -11.058 -15.462 -6.136 1.00 0.00 H new ATOM 0 HB THR A 86 -13.235 -14.005 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.121 -13.946 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.638 -15.568 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.248 -16.437 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.236 -15.964 -5.015 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.453 -12.832 -7.914 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.920 -12.433 -9.234 1.00 0.00 C ATOM 1126 C PHE A 87 -8.583 -13.130 -9.464 1.00 0.00 C ATOM 1127 O PHE A 87 -8.516 -14.340 -9.367 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.777 -10.877 -9.315 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.855 -10.314 -8.213 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.250 -10.304 -6.878 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.629 -9.758 -8.549 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.430 -9.751 -5.914 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.820 -9.209 -7.581 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.218 -9.206 -6.267 1.00 0.00 C ATOM 0 H PHE A 87 -10.492 -12.097 -7.207 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.611 -12.738 -10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.381 -10.601 -10.292 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.762 -10.419 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.201 -10.730 -6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.307 -9.756 -9.580 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.742 -9.747 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.868 -8.779 -7.856 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.579 -8.775 -5.510 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.540 -12.406 -9.755 1.00 0.00 N ATOM 1145 CA ASN A 88 -6.251 -13.130 -9.970 1.00 0.00 C ATOM 1146 C ASN A 88 -5.044 -12.218 -10.173 1.00 0.00 C ATOM 1147 O ASN A 88 -3.923 -12.671 -10.048 1.00 0.00 O ATOM 1148 CB ASN A 88 -6.397 -14.013 -11.218 1.00 0.00 C ATOM 1149 CG ASN A 88 -7.216 -13.270 -12.274 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -8.407 -13.473 -12.408 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -6.618 -12.402 -13.041 1.00 0.00 N ATOM 0 H ASN A 88 -7.516 -11.391 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.062 -13.704 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.414 -14.265 -11.616 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.886 -14.952 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.149 -11.896 -13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.619 -12.228 -12.932 1.00 0.00 H new ATOM 1158 N SER A 89 -5.262 -10.972 -10.482 1.00 0.00 N ATOM 1159 CA SER A 89 -4.074 -10.086 -10.678 1.00 0.00 C ATOM 1160 C SER A 89 -4.321 -8.647 -10.307 1.00 0.00 C ATOM 1161 O SER A 89 -5.450 -8.172 -10.210 1.00 0.00 O ATOM 1162 CB SER A 89 -3.665 -10.123 -12.134 1.00 0.00 C ATOM 1163 OG SER A 89 -2.717 -9.076 -12.254 1.00 0.00 O ATOM 0 H SER A 89 -6.176 -10.536 -10.605 1.00 0.00 H new ATOM 0 HA SER A 89 -3.296 -10.468 -10.017 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.231 -11.086 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.519 -9.964 -12.792 1.00 0.00 H new ATOM 0 HG SER A 89 -2.514 -8.925 -13.201 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.236 -7.962 -10.170 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.308 -6.543 -9.804 1.00 0.00 C ATOM 1171 C VAL A 90 -3.352 -5.683 -11.041 1.00 0.00 C ATOM 1172 O VAL A 90 -4.127 -4.754 -11.128 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.059 -6.190 -8.985 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.400 -5.060 -8.011 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.617 -7.420 -8.190 1.00 0.00 C ATOM 0 H VAL A 90 -2.294 -8.331 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.212 -6.362 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.257 -5.873 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.516 -4.805 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.730 -4.185 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.197 -5.385 -7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.730 -7.176 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.420 -7.728 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.386 -8.234 -8.877 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.528 -6.008 -11.985 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.518 -5.216 -13.217 1.00 0.00 C ATOM 1187 C VAL A 91 -3.927 -5.097 -13.725 1.00 0.00 C ATOM 1188 O VAL A 91 -4.298 -4.111 -14.314 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.638 -5.944 -14.252 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -0.981 -4.927 -15.210 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.549 -6.708 -13.509 1.00 0.00 C ATOM 0 H VAL A 91 -1.867 -6.784 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.119 -4.218 -13.037 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.255 -6.627 -14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.363 -5.457 -15.935 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.756 -4.368 -15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.360 -4.238 -14.638 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.084 -7.230 -14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.057 -6.009 -12.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.007 -7.432 -12.836 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.691 -6.112 -13.474 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.094 -6.091 -13.926 1.00 0.00 C ATOM 1203 C GLU A 92 -6.868 -5.145 -13.037 1.00 0.00 C ATOM 1204 O GLU A 92 -7.575 -4.276 -13.506 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.674 -7.502 -13.791 1.00 0.00 C ATOM 1206 CG GLU A 92 -6.032 -8.399 -14.845 1.00 0.00 C ATOM 1207 CD GLU A 92 -6.770 -9.739 -14.891 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.284 -10.108 -13.848 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -6.777 -10.316 -15.965 1.00 0.00 O ATOM 0 H GLU A 92 -4.403 -6.954 -12.976 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.158 -5.764 -14.964 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.482 -7.895 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.756 -7.480 -13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.071 -7.916 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.980 -8.559 -14.610 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.724 -5.339 -11.752 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.441 -4.452 -10.801 1.00 0.00 C ATOM 1218 C LEU A 93 -6.940 -3.025 -10.958 1.00 0.00 C ATOM 1219 O LEU A 93 -7.643 -2.157 -11.444 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.121 -4.943 -9.368 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.707 -3.982 -8.319 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.579 -4.779 -7.366 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.568 -3.337 -7.515 1.00 0.00 C ATOM 0 H LEU A 93 -6.147 -6.065 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.514 -4.477 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.530 -5.943 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.042 -5.018 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.289 -3.207 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.002 -4.111 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.385 -5.256 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.977 -5.543 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.986 -2.657 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.993 -4.114 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.916 -2.782 -8.189 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.733 -2.816 -10.531 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.138 -1.477 -10.629 1.00 0.00 C ATOM 1237 C ILE A 94 -5.469 -0.827 -11.968 1.00 0.00 C ATOM 1238 O ILE A 94 -5.628 0.369 -12.044 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.605 -1.645 -10.462 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.097 -0.827 -9.267 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.843 -1.202 -11.741 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.408 0.675 -9.438 1.00 0.00 C ATOM 0 H ILE A 94 -5.132 -3.528 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.541 -0.824 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.414 -2.704 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.560 -1.194 -8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.021 -0.967 -9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.771 -1.333 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.167 -1.809 -12.586 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.055 -0.153 -11.946 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.035 1.225 -8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.924 1.046 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.486 0.816 -9.520 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.558 -1.619 -13.006 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.881 -1.029 -14.325 1.00 0.00 C ATOM 1256 C ASN A 95 -7.280 -0.438 -14.308 1.00 0.00 C ATOM 1257 O ASN A 95 -7.495 0.687 -14.733 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.835 -2.129 -15.392 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.649 -1.682 -16.607 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.171 -0.959 -17.459 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.882 -2.091 -16.727 1.00 0.00 N ATOM 0 H ASN A 95 -5.423 -2.630 -12.993 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.156 -0.246 -14.547 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.804 -2.328 -15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.238 -3.059 -14.991 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.438 -1.804 -17.532 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.290 -2.698 -16.016 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.213 -1.206 -13.805 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.603 -0.715 -13.749 1.00 0.00 C ATOM 1270 C HIS A 96 -9.692 0.590 -12.973 1.00 0.00 C ATOM 1271 O HIS A 96 -10.593 1.375 -13.193 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.463 -1.773 -13.039 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.766 -1.971 -13.820 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.669 -1.117 -13.929 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.212 -3.072 -14.528 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.637 -1.549 -14.626 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.437 -2.796 -15.057 1.00 0.00 N ATOM 0 H HIS A 96 -8.064 -2.145 -13.435 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.956 -0.538 -14.765 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.919 -2.715 -12.971 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.681 -1.457 -12.019 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.675 -4.002 -14.643 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.523 -0.972 -14.846 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.041 -3.386 -15.630 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.756 0.808 -12.077 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.797 2.071 -11.289 1.00 0.00 C ATOM 1287 C TYR A 97 -7.915 3.141 -11.899 1.00 0.00 C ATOM 1288 O TYR A 97 -8.259 4.306 -11.886 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.314 1.781 -9.862 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.442 1.105 -9.084 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.656 1.743 -8.913 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.278 -0.163 -8.572 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.685 1.125 -8.253 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.310 -0.784 -7.906 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.524 -0.144 -7.741 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.557 -0.764 -7.072 1.00 0.00 O ATOM 0 H TYR A 97 -7.983 0.177 -11.864 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.823 2.438 -11.287 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.434 1.138 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.019 2.707 -9.369 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.795 2.740 -9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.334 -0.673 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.629 1.636 -8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.170 -1.779 -7.509 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.270 -1.654 -6.780 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.800 2.745 -12.424 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.912 3.743 -13.027 1.00 0.00 C ATOM 1308 C ARG A 98 -6.704 4.617 -13.981 1.00 0.00 C ATOM 1309 O ARG A 98 -6.484 5.803 -14.071 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.815 3.006 -13.801 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.521 3.025 -12.975 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.458 2.149 -13.655 1.00 0.00 C ATOM 1313 NE ARG A 98 -1.815 2.926 -14.754 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.022 2.315 -15.595 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -1.482 1.296 -16.269 1.00 0.00 N ATOM 1316 NH2 ARG A 98 0.202 2.746 -15.737 1.00 0.00 N ATOM 0 H ARG A 98 -6.472 1.780 -12.459 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.471 4.371 -12.253 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.120 1.978 -13.999 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.652 3.482 -14.768 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.155 4.047 -12.878 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.717 2.659 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.709 1.835 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.916 1.243 -14.053 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.993 3.926 -14.849 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.445 0.989 -16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.878 0.807 -16.930 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.526 3.548 -15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.834 2.281 -16.389 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.629 4.009 -14.673 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.452 4.789 -15.628 1.00 0.00 C ATOM 1332 C ASN A 99 -9.625 5.455 -14.920 1.00 0.00 C ATOM 1333 O ASN A 99 -10.175 6.424 -15.408 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.004 3.829 -16.680 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.424 4.193 -18.049 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.810 3.381 -18.712 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -8.600 5.403 -18.508 1.00 0.00 N ATOM 0 H ASN A 99 -7.846 3.014 -14.616 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.831 5.562 -16.081 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.745 2.802 -16.424 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.092 3.886 -16.706 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.223 5.663 -19.419 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.115 6.088 -17.955 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.981 4.921 -13.777 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.121 5.498 -13.004 1.00 0.00 C ATOM 1346 C GLU A 100 -10.666 6.103 -11.670 1.00 0.00 C ATOM 1347 O GLU A 100 -10.014 7.129 -11.641 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.117 4.366 -12.722 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.558 3.763 -14.051 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.970 3.187 -13.906 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.098 2.260 -13.123 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.839 3.704 -14.587 1.00 0.00 O ATOM 0 H GLU A 100 -9.531 4.112 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.571 6.298 -13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.655 3.603 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.979 4.748 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.542 4.524 -14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.864 2.980 -14.356 1.00 0.00 H new ATOM 1359 N SER A 101 -11.023 5.451 -10.591 1.00 0.00 N ATOM 1360 CA SER A 101 -10.631 5.962 -9.249 1.00 0.00 C ATOM 1361 C SER A 101 -11.175 5.040 -8.175 1.00 0.00 C ATOM 1362 O SER A 101 -12.255 4.501 -8.317 1.00 0.00 O ATOM 1363 CB SER A 101 -11.252 7.353 -9.055 1.00 0.00 C ATOM 1364 OG SER A 101 -10.276 8.245 -9.566 1.00 0.00 O ATOM 0 H SER A 101 -11.568 4.589 -10.585 1.00 0.00 H new ATOM 0 HA SER A 101 -9.544 6.010 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.196 7.446 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.462 7.552 -8.004 1.00 0.00 H new ATOM 0 HG SER A 101 -10.228 8.154 -10.541 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.437 4.865 -7.121 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.935 3.970 -6.050 1.00 0.00 C ATOM 1372 C LEU A 102 -11.826 4.727 -5.095 1.00 0.00 C ATOM 1373 O LEU A 102 -11.368 5.276 -4.108 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.744 3.387 -5.270 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.654 2.959 -6.261 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.500 3.942 -6.167 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.149 1.550 -5.916 1.00 0.00 C ATOM 0 H LEU A 102 -9.527 5.294 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.510 3.167 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.350 4.129 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.067 2.533 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.064 2.949 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.716 3.651 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.854 4.943 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.101 3.939 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.376 1.257 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.735 1.549 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.977 0.843 -5.969 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.507 8.989 -6.393 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.052 8.669 -7.769 1.00 0.00 C ATOM 1536 C LYS A 112 -5.536 8.546 -7.809 1.00 0.00 C ATOM 1537 O LYS A 112 -4.834 9.347 -7.220 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.470 9.819 -8.697 1.00 0.00 C ATOM 1539 CG LYS A 112 -7.359 11.144 -7.938 1.00 0.00 C ATOM 1540 CD LYS A 112 -7.357 12.299 -8.942 1.00 0.00 C ATOM 1541 CE LYS A 112 -7.559 13.621 -8.193 1.00 0.00 C ATOM 1542 NZ LYS A 112 -8.943 13.708 -7.645 1.00 0.00 N ATOM 0 HA LYS A 112 -7.498 7.726 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.833 9.838 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.493 9.669 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.193 11.251 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.446 11.161 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.415 12.318 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.150 12.159 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.835 13.700 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.375 14.458 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.189 14.705 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.612 13.294 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.994 13.185 -6.747 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.061 7.542 -8.501 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.584 7.336 -8.599 1.00 0.00 C ATOM 1558 C LEU A 113 -3.119 7.430 -10.059 1.00 0.00 C ATOM 1559 O LEU A 113 -2.808 6.434 -10.682 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.240 5.931 -8.033 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.429 4.976 -8.178 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.760 4.778 -9.663 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.041 3.625 -7.572 1.00 0.00 C ATOM 0 H LEU A 113 -5.629 6.858 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.074 8.111 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.376 5.525 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.963 6.016 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.298 5.391 -7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.606 4.098 -9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.014 5.739 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.895 4.356 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.876 2.931 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.175 3.225 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.795 3.756 -6.518 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.088 8.641 -10.574 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.654 8.847 -11.986 1.00 0.00 C ATOM 1577 C LEU A 114 -1.226 9.393 -12.067 1.00 0.00 C ATOM 1578 O LEU A 114 -0.878 10.086 -13.004 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.618 9.881 -12.623 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.876 9.174 -13.150 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -4.518 8.353 -14.402 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.447 8.257 -12.053 1.00 0.00 C ATOM 0 H LEU A 114 -3.346 9.491 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.676 7.890 -12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.896 10.633 -11.885 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.117 10.404 -13.438 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.630 9.914 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.411 7.851 -14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.125 9.017 -15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.764 7.609 -14.146 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.340 7.755 -12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.701 7.512 -11.777 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.705 8.854 -11.178 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.423 9.068 -11.098 1.00 0.00 N ATOM 1595 CA TYR A 115 0.975 9.566 -11.120 1.00 0.00 C ATOM 1596 C TYR A 115 1.927 8.535 -10.526 1.00 0.00 C ATOM 1597 O TYR A 115 2.458 8.718 -9.452 1.00 0.00 O ATOM 1598 CB TYR A 115 1.015 10.843 -10.281 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.130 11.744 -10.735 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.039 12.442 -11.922 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.282 11.850 -9.985 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.084 13.231 -12.353 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.328 12.639 -10.415 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.236 13.337 -11.602 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.282 14.130 -12.031 1.00 0.00 O ATOM 0 H TYR A 115 -0.671 8.485 -10.299 1.00 0.00 H new ATOM 0 HA TYR A 115 1.288 9.756 -12.147 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.916 10.606 -9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.971 11.351 -10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.859 12.369 -12.518 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.366 11.311 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.000 13.770 -13.285 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.226 12.711 -9.819 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.013 14.087 -11.380 1.00 0.00 H new ATOM 1615 N PRO A 116 2.125 7.451 -11.261 1.00 0.00 N ATOM 1616 CA PRO A 116 3.009 6.374 -10.827 1.00 0.00 C ATOM 1617 C PRO A 116 4.460 6.704 -11.093 1.00 0.00 C ATOM 1618 O PRO A 116 4.778 7.324 -12.089 1.00 0.00 O ATOM 1619 CB PRO A 116 2.624 5.187 -11.716 1.00 0.00 C ATOM 1620 CG PRO A 116 1.781 5.756 -12.900 1.00 0.00 C ATOM 1621 CD PRO A 116 1.472 7.223 -12.564 1.00 0.00 C ATOM 0 HA PRO A 116 2.905 6.190 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.514 4.678 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.049 4.453 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.333 5.683 -13.837 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.860 5.187 -13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.864 7.896 -13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.398 7.399 -12.505 1.00 0.00 H new ATOM 1629 N VAL A 117 5.315 6.278 -10.204 1.00 0.00 N ATOM 1630 CA VAL A 117 6.755 6.553 -10.391 1.00 0.00 C ATOM 1631 C VAL A 117 7.475 5.270 -10.747 1.00 0.00 C ATOM 1632 O VAL A 117 7.077 4.202 -10.332 1.00 0.00 O ATOM 1633 CB VAL A 117 7.340 7.093 -9.084 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.164 8.615 -9.045 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.616 6.465 -7.899 1.00 0.00 C ATOM 0 H VAL A 117 5.074 5.754 -9.362 1.00 0.00 H new ATOM 0 HA VAL A 117 6.880 7.283 -11.191 1.00 0.00 H new ATOM 0 HB VAL A 117 8.400 6.844 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.579 9.006 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.684 9.063 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.103 8.860 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.035 6.852 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.555 6.711 -7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.739 5.382 -7.930 1.00 0.00 H new ATOM 1645 N SER A 118 8.510 5.384 -11.524 1.00 0.00 N ATOM 1646 CA SER A 118 9.253 4.170 -11.908 1.00 0.00 C ATOM 1647 C SER A 118 10.524 4.519 -12.647 1.00 0.00 C ATOM 1648 O SER A 118 11.013 5.628 -12.563 1.00 0.00 O ATOM 1649 CB SER A 118 8.381 3.333 -12.838 1.00 0.00 C ATOM 1650 OG SER A 118 8.738 1.991 -12.537 1.00 0.00 O ATOM 0 H SER A 118 8.868 6.260 -11.905 1.00 0.00 H new ATOM 0 HA SER A 118 9.507 3.623 -11.000 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.321 3.513 -12.659 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.572 3.571 -13.884 1.00 0.00 H new ATOM 0 HG SER A 118 7.927 1.463 -12.385 1.00 0.00 H new