USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 19 SER OG : rot 170:sc= -0.0545 USER MOD Single : A 23 GLN : amide:sc= -3.11! C(o=-3.1!,f=-6.8!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.229 USER MOD Single : A 30 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.3!) USER MOD Single : A 31 CYS SG : rot -40:sc= 0.00225 USER MOD Single : A 34 ASN :FLIP amide:sc= -10.9! C(o=-13!,f=-11!) USER MOD Single : A 36 ASN : amide:sc= -10.3! C(o=-10!,f=-16!) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.183 (180deg=-0.345) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= -2.17 (180deg=-3.03!) USER MOD Single : A 47 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-2.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.71! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.354 X(o=0.35,f=-0.032) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -4! (180deg=-4.95!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -161:sc= -1.65 (180deg=-2.86!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -9.203 -12.106 1.813 1.00 0.00 N ATOM 2 CA GLU A 16 -7.933 -12.202 1.037 1.00 0.00 C ATOM 3 C GLU A 16 -7.755 -10.960 0.160 1.00 0.00 C ATOM 4 O GLU A 16 -8.493 -10.741 -0.780 1.00 0.00 O ATOM 5 CB GLU A 16 -8.088 -13.454 0.172 1.00 0.00 C ATOM 6 CG GLU A 16 -6.854 -13.615 -0.718 1.00 0.00 C ATOM 7 CD GLU A 16 -6.099 -14.887 -0.323 1.00 0.00 C ATOM 8 OE1 GLU A 16 -5.626 -14.945 0.801 1.00 0.00 O ATOM 9 OE2 GLU A 16 -6.008 -15.779 -1.149 1.00 0.00 O ATOM 0 HA GLU A 16 -7.058 -12.262 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.211 -14.333 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.985 -13.376 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.153 -13.667 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.203 -12.747 -0.615 1.00 0.00 H new ATOM 16 N GLU A 17 -6.780 -10.148 0.460 1.00 0.00 N ATOM 17 CA GLU A 17 -6.554 -8.922 -0.359 1.00 0.00 C ATOM 18 C GLU A 17 -7.843 -8.099 -0.453 1.00 0.00 C ATOM 19 O GLU A 17 -8.737 -8.416 -1.211 1.00 0.00 O ATOM 20 CB GLU A 17 -6.147 -9.443 -1.737 1.00 0.00 C ATOM 21 CG GLU A 17 -5.122 -8.494 -2.361 1.00 0.00 C ATOM 22 CD GLU A 17 -4.063 -9.305 -3.111 1.00 0.00 C ATOM 23 OE1 GLU A 17 -3.841 -10.445 -2.736 1.00 0.00 O ATOM 24 OE2 GLU A 17 -3.490 -8.772 -4.047 1.00 0.00 O ATOM 0 H GLU A 17 -6.130 -10.279 1.235 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.796 -8.269 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.725 -10.444 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.023 -9.523 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.618 -7.805 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.651 -7.890 -1.585 1.00 0.00 H new ATOM 31 N GLU A 18 -7.944 -7.044 0.310 1.00 0.00 N ATOM 32 CA GLU A 18 -9.176 -6.203 0.259 1.00 0.00 C ATOM 33 C GLU A 18 -8.814 -4.749 -0.057 1.00 0.00 C ATOM 34 O GLU A 18 -7.767 -4.263 0.321 1.00 0.00 O ATOM 35 CB GLU A 18 -9.789 -6.308 1.656 1.00 0.00 C ATOM 36 CG GLU A 18 -10.416 -7.692 1.836 1.00 0.00 C ATOM 37 CD GLU A 18 -11.894 -7.539 2.197 1.00 0.00 C ATOM 38 OE1 GLU A 18 -12.700 -7.445 1.285 1.00 0.00 O ATOM 39 OE2 GLU A 18 -12.195 -7.518 3.379 1.00 0.00 O ATOM 0 H GLU A 18 -7.229 -6.728 0.965 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.867 -6.535 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.023 -6.143 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.545 -5.534 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.313 -8.272 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.894 -8.240 2.620 1.00 0.00 H new ATOM 46 N SER A 19 -9.675 -4.051 -0.748 1.00 0.00 N ATOM 47 CA SER A 19 -9.383 -2.628 -1.088 1.00 0.00 C ATOM 48 C SER A 19 -10.690 -1.836 -1.170 1.00 0.00 C ATOM 49 O SER A 19 -11.760 -2.399 -1.281 1.00 0.00 O ATOM 50 CB SER A 19 -8.699 -2.671 -2.457 1.00 0.00 C ATOM 51 OG SER A 19 -8.482 -4.024 -2.841 1.00 0.00 O ATOM 0 H SER A 19 -10.568 -4.405 -1.092 1.00 0.00 H new ATOM 0 HA SER A 19 -8.756 -2.145 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.317 -2.167 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.750 -2.137 -2.417 1.00 0.00 H new ATOM 0 HG SER A 19 -8.195 -4.056 -3.777 1.00 0.00 H new ATOM 57 N PHE A 20 -10.615 -0.534 -1.118 1.00 0.00 N ATOM 58 CA PHE A 20 -11.863 0.279 -1.196 1.00 0.00 C ATOM 59 C PHE A 20 -12.069 0.797 -2.622 1.00 0.00 C ATOM 60 O PHE A 20 -13.183 0.906 -3.094 1.00 0.00 O ATOM 61 CB PHE A 20 -11.652 1.442 -0.226 1.00 0.00 C ATOM 62 CG PHE A 20 -12.992 2.047 0.118 1.00 0.00 C ATOM 63 CD1 PHE A 20 -14.034 1.225 0.561 1.00 0.00 C ATOM 64 CD2 PHE A 20 -13.194 3.425 -0.011 1.00 0.00 C ATOM 65 CE1 PHE A 20 -15.279 1.781 0.877 1.00 0.00 C ATOM 66 CE2 PHE A 20 -14.439 3.982 0.306 1.00 0.00 C ATOM 67 CZ PHE A 20 -15.481 3.160 0.748 1.00 0.00 C ATOM 0 H PHE A 20 -9.750 -0.001 -1.026 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.747 -0.304 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.154 1.092 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.004 2.194 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.878 0.161 0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.390 4.059 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -16.083 1.147 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.595 5.046 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 20 -16.442 3.590 0.990 1.00 0.00 H new ATOM 77 N GLY A 21 -11.009 1.116 -3.311 1.00 0.00 N ATOM 78 CA GLY A 21 -11.157 1.623 -4.704 1.00 0.00 C ATOM 79 C GLY A 21 -10.035 2.613 -5.016 1.00 0.00 C ATOM 80 O GLY A 21 -9.174 2.341 -5.829 1.00 0.00 O ATOM 0 H GLY A 21 -10.050 1.048 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.127 0.792 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.126 2.108 -4.823 1.00 0.00 H new ATOM 84 N PRO A 22 -10.089 3.739 -4.360 1.00 0.00 N ATOM 85 CA PRO A 22 -9.072 4.790 -4.573 1.00 0.00 C ATOM 86 C PRO A 22 -7.810 4.488 -3.754 1.00 0.00 C ATOM 87 O PRO A 22 -6.727 4.369 -4.291 1.00 0.00 O ATOM 88 CB PRO A 22 -9.762 6.053 -4.073 1.00 0.00 C ATOM 89 CG PRO A 22 -10.787 5.587 -3.082 1.00 0.00 C ATOM 90 CD PRO A 22 -11.092 4.135 -3.371 1.00 0.00 C ATOM 0 HA PRO A 22 -8.744 4.871 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.047 6.732 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.229 6.596 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.413 5.702 -2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.692 6.189 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.021 3.527 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.103 4.012 -3.760 1.00 0.00 H new ATOM 98 N GLN A 23 -7.939 4.362 -2.460 1.00 0.00 N ATOM 99 CA GLN A 23 -6.739 4.068 -1.619 1.00 0.00 C ATOM 100 C GLN A 23 -5.675 5.120 -1.835 1.00 0.00 C ATOM 101 O GLN A 23 -4.540 4.810 -2.140 1.00 0.00 O ATOM 102 CB GLN A 23 -6.252 2.691 -2.073 1.00 0.00 C ATOM 103 CG GLN A 23 -7.334 1.646 -1.790 1.00 0.00 C ATOM 104 CD GLN A 23 -7.547 1.527 -0.280 1.00 0.00 C ATOM 105 OE1 GLN A 23 -6.766 0.897 0.408 1.00 0.00 O ATOM 106 NE2 GLN A 23 -8.579 2.107 0.270 1.00 0.00 N ATOM 0 H GLN A 23 -8.818 4.449 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.972 4.076 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.019 2.709 -3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.333 2.428 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.266 1.931 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.040 0.681 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.234 2.635 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.730 2.032 1.276 1.00 0.00 H new ATOM 115 N PRO A 24 -6.069 6.338 -1.615 1.00 0.00 N ATOM 116 CA PRO A 24 -5.127 7.460 -1.741 1.00 0.00 C ATOM 117 C PRO A 24 -4.152 7.360 -0.584 1.00 0.00 C ATOM 118 O PRO A 24 -4.070 8.236 0.253 1.00 0.00 O ATOM 119 CB PRO A 24 -6.011 8.697 -1.618 1.00 0.00 C ATOM 120 CG PRO A 24 -7.208 8.230 -0.855 1.00 0.00 C ATOM 121 CD PRO A 24 -7.408 6.782 -1.218 1.00 0.00 C ATOM 0 HA PRO A 24 -4.552 7.478 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.496 9.502 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.291 9.083 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.053 8.343 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.087 8.820 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.788 6.206 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.126 6.668 -2.030 1.00 0.00 H new ATOM 129 N ILE A 25 -3.422 6.281 -0.517 1.00 0.00 N ATOM 130 CA ILE A 25 -2.455 6.095 0.594 1.00 0.00 C ATOM 131 C ILE A 25 -1.319 7.103 0.472 1.00 0.00 C ATOM 132 O ILE A 25 -0.155 6.760 0.524 1.00 0.00 O ATOM 133 CB ILE A 25 -1.947 4.669 0.419 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.148 4.565 -0.880 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.143 3.723 0.339 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.099 3.465 -0.737 1.00 0.00 C ATOM 0 H ILE A 25 -3.456 5.516 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.900 6.250 1.577 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.310 4.403 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.814 4.343 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.666 5.517 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.790 2.700 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.726 3.796 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.768 3.998 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.474 3.386 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.572 3.707 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.593 2.515 -0.535 1.00 0.00 H new ATOM 148 N SER A 26 -1.657 8.346 0.311 1.00 0.00 N ATOM 149 CA SER A 26 -0.608 9.392 0.184 1.00 0.00 C ATOM 150 C SER A 26 0.092 9.581 1.527 1.00 0.00 C ATOM 151 O SER A 26 1.244 9.248 1.688 1.00 0.00 O ATOM 152 CB SER A 26 -1.356 10.662 -0.216 1.00 0.00 C ATOM 153 OG SER A 26 -2.313 10.979 0.788 1.00 0.00 O ATOM 0 H SER A 26 -2.617 8.686 0.261 1.00 0.00 H new ATOM 0 HA SER A 26 0.157 9.130 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.655 11.487 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.852 10.519 -1.176 1.00 0.00 H new ATOM 0 HG SER A 26 -2.794 11.795 0.535 1.00 0.00 H new ATOM 159 N ARG A 27 -0.604 10.104 2.493 1.00 0.00 N ATOM 160 CA ARG A 27 0.015 10.312 3.832 1.00 0.00 C ATOM 161 C ARG A 27 0.117 8.979 4.580 1.00 0.00 C ATOM 162 O ARG A 27 0.831 8.854 5.553 1.00 0.00 O ATOM 163 CB ARG A 27 -0.933 11.267 4.559 1.00 0.00 C ATOM 164 CG ARG A 27 -0.397 11.548 5.964 1.00 0.00 C ATOM 165 CD ARG A 27 -1.268 10.824 6.992 1.00 0.00 C ATOM 166 NE ARG A 27 -2.620 11.431 6.841 1.00 0.00 N ATOM 167 CZ ARG A 27 -3.586 11.095 7.653 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.377 10.221 8.600 1.00 0.00 N ATOM 169 NH2 ARG A 27 -4.766 11.635 7.518 1.00 0.00 N ATOM 0 H ARG A 27 -1.578 10.398 2.415 1.00 0.00 H new ATOM 0 HA ARG A 27 1.026 10.714 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.026 12.199 4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.930 10.831 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.637 11.212 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.400 12.620 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.293 9.751 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.884 10.961 8.003 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.792 12.111 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.456 9.797 8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.135 9.962 9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.933 12.318 6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.522 11.374 8.151 1.00 0.00 H new ATOM 183 N LEU A 28 -0.599 7.985 4.135 1.00 0.00 N ATOM 184 CA LEU A 28 -0.553 6.660 4.823 1.00 0.00 C ATOM 185 C LEU A 28 0.867 6.086 4.832 1.00 0.00 C ATOM 186 O LEU A 28 1.553 6.125 5.833 1.00 0.00 O ATOM 187 CB LEU A 28 -1.477 5.762 4.001 1.00 0.00 C ATOM 188 CG LEU A 28 -2.878 5.769 4.614 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.825 5.147 6.011 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.384 7.211 4.714 1.00 0.00 C ATOM 0 H LEU A 28 -1.216 8.031 3.324 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.860 6.739 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.519 6.113 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.085 4.745 3.976 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.554 5.191 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.823 5.151 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.465 4.121 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.149 5.725 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.383 7.217 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.709 7.791 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.421 7.653 3.719 1.00 0.00 H new ATOM 202 N GLU A 29 1.303 5.536 3.729 1.00 0.00 N ATOM 203 CA GLU A 29 2.670 4.935 3.682 1.00 0.00 C ATOM 204 C GLU A 29 3.732 5.987 3.359 1.00 0.00 C ATOM 205 O GLU A 29 4.878 5.839 3.721 1.00 0.00 O ATOM 206 CB GLU A 29 2.607 3.892 2.562 1.00 0.00 C ATOM 207 CG GLU A 29 2.475 4.592 1.208 1.00 0.00 C ATOM 208 CD GLU A 29 3.754 4.380 0.396 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.459 3.425 0.676 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.007 5.177 -0.493 1.00 0.00 O ATOM 0 H GLU A 29 0.773 5.477 2.860 1.00 0.00 H new ATOM 0 HA GLU A 29 2.946 4.503 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.505 3.275 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.760 3.225 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.617 4.196 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.297 5.657 1.354 1.00 0.00 H new ATOM 217 N GLN A 30 3.383 7.045 2.682 1.00 0.00 N ATOM 218 CA GLN A 30 4.423 8.060 2.367 1.00 0.00 C ATOM 219 C GLN A 30 4.841 8.773 3.651 1.00 0.00 C ATOM 220 O GLN A 30 5.977 9.172 3.815 1.00 0.00 O ATOM 221 CB GLN A 30 3.776 9.044 1.392 1.00 0.00 C ATOM 222 CG GLN A 30 4.863 9.748 0.578 1.00 0.00 C ATOM 223 CD GLN A 30 4.779 11.259 0.817 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.708 11.792 1.030 1.00 0.00 O ATOM 225 NE2 GLN A 30 5.869 11.977 0.793 1.00 0.00 N ATOM 0 H GLN A 30 2.444 7.248 2.340 1.00 0.00 H new ATOM 0 HA GLN A 30 5.315 7.610 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.093 8.516 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.184 9.778 1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.847 9.377 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.738 9.529 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.769 11.532 0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.821 12.983 0.953 1.00 0.00 H new ATOM 234 N CYS A 31 3.928 8.925 4.570 1.00 0.00 N ATOM 235 CA CYS A 31 4.268 9.597 5.852 1.00 0.00 C ATOM 236 C CYS A 31 4.989 8.608 6.770 1.00 0.00 C ATOM 237 O CYS A 31 5.451 8.958 7.837 1.00 0.00 O ATOM 238 CB CYS A 31 2.926 10.013 6.452 1.00 0.00 C ATOM 239 SG CYS A 31 3.202 11.249 7.745 1.00 0.00 S ATOM 0 H CYS A 31 2.961 8.612 4.487 1.00 0.00 H new ATOM 0 HA CYS A 31 4.928 10.454 5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.279 10.421 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.416 9.144 6.867 1.00 0.00 H new ATOM 0 HG CYS A 31 4.259 10.930 8.432 1.00 0.00 H new ATOM 245 N GLY A 32 5.093 7.373 6.355 1.00 0.00 N ATOM 246 CA GLY A 32 5.792 6.366 7.197 1.00 0.00 C ATOM 247 C GLY A 32 4.778 5.415 7.835 1.00 0.00 C ATOM 248 O GLY A 32 4.608 5.398 9.037 1.00 0.00 O ATOM 0 H GLY A 32 4.724 7.021 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.499 5.801 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.369 6.868 7.973 1.00 0.00 H new ATOM 252 N ILE A 33 4.124 4.597 7.052 1.00 0.00 N ATOM 253 CA ILE A 33 3.158 3.638 7.649 1.00 0.00 C ATOM 254 C ILE A 33 3.963 2.472 8.231 1.00 0.00 C ATOM 255 O ILE A 33 4.877 2.670 9.007 1.00 0.00 O ATOM 256 CB ILE A 33 2.234 3.197 6.491 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.062 2.385 7.054 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.011 2.339 5.476 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.180 3.274 7.147 1.00 0.00 C ATOM 0 H ILE A 33 4.217 4.554 6.037 1.00 0.00 H new ATOM 0 HA ILE A 33 2.555 4.057 8.454 1.00 0.00 H new ATOM 0 HB ILE A 33 1.859 4.086 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.860 1.527 6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.317 1.995 8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.344 2.038 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.838 2.919 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.402 1.451 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.012 2.695 7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.025 4.118 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.439 3.643 6.154 1.00 0.00 H new ATOM 271 N ASN A 34 3.661 1.272 7.860 1.00 0.00 N ATOM 272 CA ASN A 34 4.436 0.114 8.384 1.00 0.00 C ATOM 273 C ASN A 34 5.732 -0.037 7.572 1.00 0.00 C ATOM 274 O ASN A 34 6.490 0.902 7.430 1.00 0.00 O ATOM 275 CB ASN A 34 3.513 -1.091 8.200 1.00 0.00 C ATOM 276 CG ASN A 34 2.192 -0.832 8.928 1.00 0.00 C ATOM 277 OD1 ASN A 34 1.203 -0.276 8.281 1.00 0.00 O flip ATOM 278 ND2 ASN A 34 2.059 -1.136 10.097 1.00 0.00 N flip ATOM 0 H ASN A 34 2.909 1.034 7.214 1.00 0.00 H new ATOM 0 HA ASN A 34 4.729 0.227 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.329 -1.264 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.988 -1.990 8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.831 -1.570 10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.175 -0.957 10.573 1.00 0.00 H new ATOM 285 N ALA A 35 5.995 -1.195 7.030 1.00 0.00 N ATOM 286 CA ALA A 35 7.243 -1.368 6.228 1.00 0.00 C ATOM 287 C ALA A 35 7.049 -0.808 4.821 1.00 0.00 C ATOM 288 O ALA A 35 7.996 -0.600 4.088 1.00 0.00 O ATOM 289 CB ALA A 35 7.459 -2.877 6.139 1.00 0.00 C ATOM 0 H ALA A 35 5.406 -2.024 7.106 1.00 0.00 H new ATOM 0 HA ALA A 35 8.086 -0.849 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.361 -3.082 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.569 -3.289 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.602 -3.339 5.649 1.00 0.00 H new ATOM 295 N ASN A 36 5.827 -0.600 4.425 1.00 0.00 N ATOM 296 CA ASN A 36 5.570 -0.096 3.050 1.00 0.00 C ATOM 297 C ASN A 36 6.441 1.098 2.704 1.00 0.00 C ATOM 298 O ASN A 36 7.335 0.990 1.891 1.00 0.00 O ATOM 299 CB ASN A 36 4.106 0.328 3.019 1.00 0.00 C ATOM 300 CG ASN A 36 3.201 -0.900 3.149 1.00 0.00 C ATOM 301 OD1 ASN A 36 2.781 -1.468 2.162 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.879 -1.335 4.336 1.00 0.00 N ATOM 0 H ASN A 36 4.995 -0.757 4.994 1.00 0.00 H new ATOM 0 HA ASN A 36 5.799 -0.875 2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.904 1.026 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.890 0.852 2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.275 -2.151 4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.231 -0.859 5.167 1.00 0.00 H new ATOM 309 N ASP A 37 6.155 2.238 3.280 1.00 0.00 N ATOM 310 CA ASP A 37 6.933 3.473 2.959 1.00 0.00 C ATOM 311 C ASP A 37 8.331 3.120 2.464 1.00 0.00 C ATOM 312 O ASP A 37 8.689 3.372 1.330 1.00 0.00 O ATOM 313 CB ASP A 37 7.026 4.231 4.284 1.00 0.00 C ATOM 314 CG ASP A 37 7.753 5.560 4.062 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.974 5.549 4.051 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.078 6.564 3.907 1.00 0.00 O ATOM 0 H ASP A 37 5.410 2.367 3.964 1.00 0.00 H new ATOM 0 HA ASP A 37 6.457 4.058 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.028 4.412 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.559 3.631 5.022 1.00 0.00 H new ATOM 321 N VAL A 38 9.109 2.520 3.306 1.00 0.00 N ATOM 322 CA VAL A 38 10.486 2.140 2.914 1.00 0.00 C ATOM 323 C VAL A 38 10.524 1.418 1.564 1.00 0.00 C ATOM 324 O VAL A 38 11.025 1.936 0.590 1.00 0.00 O ATOM 325 CB VAL A 38 10.964 1.196 4.019 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.460 0.925 3.844 1.00 0.00 C ATOM 327 CG2 VAL A 38 10.725 1.839 5.388 1.00 0.00 C ATOM 0 H VAL A 38 8.849 2.273 4.261 1.00 0.00 H new ATOM 0 HA VAL A 38 11.115 3.023 2.802 1.00 0.00 H new ATOM 0 HB VAL A 38 10.410 0.260 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.802 0.253 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.635 0.465 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.010 1.864 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.067 1.163 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.277 2.777 5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.661 2.035 5.517 1.00 0.00 H new ATOM 337 N LYS A 39 10.048 0.209 1.505 1.00 0.00 N ATOM 338 CA LYS A 39 10.139 -0.553 0.224 1.00 0.00 C ATOM 339 C LYS A 39 8.955 -0.316 -0.713 1.00 0.00 C ATOM 340 O LYS A 39 9.131 -0.187 -1.913 1.00 0.00 O ATOM 341 CB LYS A 39 10.191 -2.015 0.658 1.00 0.00 C ATOM 342 CG LYS A 39 11.402 -2.227 1.568 1.00 0.00 C ATOM 343 CD LYS A 39 10.930 -2.494 2.998 1.00 0.00 C ATOM 344 CE LYS A 39 10.083 -3.767 3.028 1.00 0.00 C ATOM 345 NZ LYS A 39 10.582 -4.534 4.204 1.00 0.00 N ATOM 0 H LYS A 39 9.603 -0.285 2.279 1.00 0.00 H new ATOM 0 HA LYS A 39 11.009 -0.235 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.275 -2.283 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.259 -2.664 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.997 -3.066 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.045 -1.347 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.788 -2.600 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.347 -1.648 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.023 -3.534 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.197 -4.339 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.511 -5.553 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.575 -4.285 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.009 -4.300 5.040 1.00 0.00 H new ATOM 359 N LYS A 40 7.757 -0.286 -0.205 1.00 0.00 N ATOM 360 CA LYS A 40 6.593 -0.101 -1.111 1.00 0.00 C ATOM 361 C LYS A 40 6.785 1.128 -1.997 1.00 0.00 C ATOM 362 O LYS A 40 6.759 1.038 -3.205 1.00 0.00 O ATOM 363 CB LYS A 40 5.381 0.085 -0.207 1.00 0.00 C ATOM 364 CG LYS A 40 4.410 -1.091 -0.393 1.00 0.00 C ATOM 365 CD LYS A 40 3.157 -0.612 -1.130 1.00 0.00 C ATOM 366 CE LYS A 40 2.613 0.644 -0.451 1.00 0.00 C ATOM 367 NZ LYS A 40 1.142 0.600 -0.683 1.00 0.00 N ATOM 0 H LYS A 40 7.535 -0.380 0.786 1.00 0.00 H new ATOM 0 HA LYS A 40 6.472 -0.957 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.698 0.146 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.880 1.024 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.893 -1.889 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.137 -1.507 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.394 -0.400 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.400 -1.396 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.845 0.649 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.053 1.545 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.663 1.209 0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.932 0.937 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.803 -0.378 -0.577 1.00 0.00 H new ATOM 381 N LEU A 41 6.952 2.283 -1.413 1.00 0.00 N ATOM 382 CA LEU A 41 7.096 3.512 -2.245 1.00 0.00 C ATOM 383 C LEU A 41 8.531 3.742 -2.744 1.00 0.00 C ATOM 384 O LEU A 41 8.751 4.558 -3.617 1.00 0.00 O ATOM 385 CB LEU A 41 6.639 4.656 -1.328 1.00 0.00 C ATOM 386 CG LEU A 41 7.829 5.242 -0.561 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.444 6.385 -1.371 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.348 5.778 0.789 1.00 0.00 C ATOM 0 H LEU A 41 6.995 2.429 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 41 6.503 3.435 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.162 5.436 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.892 4.289 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 41 8.577 4.466 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.291 6.803 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.784 6.006 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.696 7.162 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.193 6.195 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.601 6.555 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.907 4.966 1.367 1.00 0.00 H new ATOM 400 N GLU A 42 9.519 3.095 -2.195 1.00 0.00 N ATOM 401 CA GLU A 42 10.896 3.396 -2.674 1.00 0.00 C ATOM 402 C GLU A 42 11.202 2.806 -4.058 1.00 0.00 C ATOM 403 O GLU A 42 11.504 3.533 -4.984 1.00 0.00 O ATOM 404 CB GLU A 42 11.837 2.810 -1.626 1.00 0.00 C ATOM 405 CG GLU A 42 13.274 2.839 -2.148 1.00 0.00 C ATOM 406 CD GLU A 42 14.219 3.259 -1.020 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.098 2.710 0.062 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.048 4.122 -1.259 1.00 0.00 O ATOM 0 H GLU A 42 9.440 2.393 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 42 11.017 4.473 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.765 3.380 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.545 1.786 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.555 1.856 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.355 3.535 -2.983 1.00 0.00 H new ATOM 415 N GLU A 43 11.164 1.511 -4.223 1.00 0.00 N ATOM 416 CA GLU A 43 11.499 0.949 -5.563 1.00 0.00 C ATOM 417 C GLU A 43 10.503 1.461 -6.610 1.00 0.00 C ATOM 418 O GLU A 43 10.808 1.550 -7.782 1.00 0.00 O ATOM 419 CB GLU A 43 11.432 -0.575 -5.380 1.00 0.00 C ATOM 420 CG GLU A 43 10.525 -1.213 -6.435 1.00 0.00 C ATOM 421 CD GLU A 43 11.129 -0.999 -7.823 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.346 -0.940 -7.915 1.00 0.00 O ATOM 423 OE2 GLU A 43 10.369 -0.898 -8.771 1.00 0.00 O ATOM 0 H GLU A 43 10.921 0.830 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 43 12.483 1.250 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.434 -0.998 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.058 -0.809 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.412 -2.279 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.529 -0.773 -6.388 1.00 0.00 H new ATOM 430 N ALA A 44 9.317 1.797 -6.194 1.00 0.00 N ATOM 431 CA ALA A 44 8.307 2.301 -7.163 1.00 0.00 C ATOM 432 C ALA A 44 7.821 3.685 -6.740 1.00 0.00 C ATOM 433 O ALA A 44 8.142 4.684 -7.349 1.00 0.00 O ATOM 434 CB ALA A 44 7.161 1.300 -7.085 1.00 0.00 C ATOM 0 H ALA A 44 9.002 1.745 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 44 8.710 2.393 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.370 1.599 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.524 0.309 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.768 1.275 -6.068 1.00 0.00 H new ATOM 440 N GLY A 45 7.042 3.743 -5.698 1.00 0.00 N ATOM 441 CA GLY A 45 6.527 5.054 -5.229 1.00 0.00 C ATOM 442 C GLY A 45 5.001 5.029 -5.217 1.00 0.00 C ATOM 443 O GLY A 45 4.357 5.910 -5.752 1.00 0.00 O ATOM 0 H GLY A 45 6.740 2.937 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.905 5.268 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.883 5.851 -5.882 1.00 0.00 H new ATOM 447 N PHE A 46 4.409 4.037 -4.605 1.00 0.00 N ATOM 448 CA PHE A 46 2.898 3.998 -4.572 1.00 0.00 C ATOM 449 C PHE A 46 2.353 4.914 -3.472 1.00 0.00 C ATOM 450 O PHE A 46 1.341 4.626 -2.868 1.00 0.00 O ATOM 451 CB PHE A 46 2.486 2.559 -4.257 1.00 0.00 C ATOM 452 CG PHE A 46 3.303 1.600 -5.065 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.514 1.163 -4.559 1.00 0.00 C ATOM 454 CD2 PHE A 46 2.851 1.147 -6.308 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.296 0.277 -5.284 1.00 0.00 C ATOM 456 CE2 PHE A 46 3.632 0.251 -7.046 1.00 0.00 C ATOM 457 CZ PHE A 46 4.861 -0.185 -6.532 1.00 0.00 C ATOM 0 H PHE A 46 4.883 3.266 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 46 2.501 4.334 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.622 2.358 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.427 2.420 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.852 1.514 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.903 1.487 -6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.242 -0.057 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.290 -0.103 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.470 -0.875 -7.097 1.00 0.00 H new ATOM 467 N HIS A 47 3.008 6.003 -3.196 1.00 0.00 N ATOM 468 CA HIS A 47 2.515 6.916 -2.120 1.00 0.00 C ATOM 469 C HIS A 47 1.162 7.542 -2.494 1.00 0.00 C ATOM 470 O HIS A 47 1.017 8.747 -2.488 1.00 0.00 O ATOM 471 CB HIS A 47 3.586 8.004 -2.000 1.00 0.00 C ATOM 472 CG HIS A 47 3.949 8.516 -3.368 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.057 8.055 -4.061 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.363 9.454 -4.182 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.103 8.709 -5.236 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.093 9.573 -5.361 1.00 0.00 N ATOM 0 H HIS A 47 3.862 6.304 -3.665 1.00 0.00 H new ATOM 0 HA HIS A 47 2.358 6.380 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.218 8.822 -1.381 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.471 7.603 -1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.471 10.014 -3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.864 8.554 -5.986 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.898 10.188 -6.151 1.00 0.00 H new ATOM 484 N THR A 48 0.167 6.743 -2.800 1.00 0.00 N ATOM 485 CA THR A 48 -1.171 7.318 -3.154 1.00 0.00 C ATOM 486 C THR A 48 -2.111 6.239 -3.709 1.00 0.00 C ATOM 487 O THR A 48 -1.837 5.059 -3.637 1.00 0.00 O ATOM 488 CB THR A 48 -0.888 8.368 -4.234 1.00 0.00 C ATOM 489 OG1 THR A 48 -2.096 8.688 -4.908 1.00 0.00 O ATOM 490 CG2 THR A 48 0.124 7.814 -5.237 1.00 0.00 C ATOM 0 H THR A 48 0.222 5.725 -2.820 1.00 0.00 H new ATOM 0 HA THR A 48 -1.662 7.742 -2.278 1.00 0.00 H new ATOM 0 HB THR A 48 -0.480 9.265 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.917 9.361 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.323 8.563 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.052 7.568 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.280 6.916 -5.703 1.00 0.00 H new ATOM 498 N VAL A 49 -3.225 6.657 -4.258 1.00 0.00 N ATOM 499 CA VAL A 49 -4.216 5.692 -4.828 1.00 0.00 C ATOM 500 C VAL A 49 -3.520 4.498 -5.487 1.00 0.00 C ATOM 501 O VAL A 49 -4.064 3.414 -5.553 1.00 0.00 O ATOM 502 CB VAL A 49 -4.993 6.495 -5.870 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.827 7.570 -5.170 1.00 0.00 C ATOM 504 CG2 VAL A 49 -4.010 7.161 -6.835 1.00 0.00 C ATOM 0 H VAL A 49 -3.493 7.638 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.861 5.278 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.653 5.828 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.381 8.142 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.527 7.097 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.168 8.238 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.563 7.734 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.350 7.828 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.416 6.396 -7.335 1.00 0.00 H new ATOM 514 N GLU A 50 -2.326 4.682 -5.976 1.00 0.00 N ATOM 515 CA GLU A 50 -1.605 3.550 -6.629 1.00 0.00 C ATOM 516 C GLU A 50 -1.631 2.301 -5.739 1.00 0.00 C ATOM 517 O GLU A 50 -1.394 1.203 -6.202 1.00 0.00 O ATOM 518 CB GLU A 50 -0.172 4.049 -6.807 1.00 0.00 C ATOM 519 CG GLU A 50 -0.002 4.620 -8.216 1.00 0.00 C ATOM 520 CD GLU A 50 0.970 5.799 -8.171 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.165 5.556 -8.123 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.505 6.926 -8.185 1.00 0.00 O ATOM 0 H GLU A 50 -1.817 5.566 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.065 3.266 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.053 4.814 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.531 3.232 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.374 3.850 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.966 4.944 -8.608 1.00 0.00 H new ATOM 529 N ALA A 51 -1.912 2.453 -4.470 1.00 0.00 N ATOM 530 CA ALA A 51 -1.945 1.266 -3.566 1.00 0.00 C ATOM 531 C ALA A 51 -2.616 0.079 -4.263 1.00 0.00 C ATOM 532 O ALA A 51 -2.298 -1.065 -4.003 1.00 0.00 O ATOM 533 CB ALA A 51 -2.773 1.713 -2.364 1.00 0.00 C ATOM 0 H ALA A 51 -2.119 3.346 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.945 0.939 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.846 0.894 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.293 2.569 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.772 1.996 -2.695 1.00 0.00 H new ATOM 539 N VAL A 52 -3.541 0.338 -5.145 1.00 0.00 N ATOM 540 CA VAL A 52 -4.228 -0.780 -5.851 1.00 0.00 C ATOM 541 C VAL A 52 -4.728 -0.319 -7.224 1.00 0.00 C ATOM 542 O VAL A 52 -5.862 -0.550 -7.591 1.00 0.00 O ATOM 543 CB VAL A 52 -5.403 -1.155 -4.948 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.384 0.016 -4.866 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.116 -2.376 -5.529 1.00 0.00 C ATOM 0 H VAL A 52 -3.851 1.274 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.563 -1.625 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.034 -1.386 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.220 -0.255 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.876 0.888 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.756 0.250 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.955 -2.647 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.484 -2.141 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.418 -3.212 -5.586 1.00 0.00 H new ATOM 555 N ALA A 53 -3.888 0.329 -7.984 1.00 0.00 N ATOM 556 CA ALA A 53 -4.317 0.802 -9.333 1.00 0.00 C ATOM 557 C ALA A 53 -3.093 1.069 -10.216 1.00 0.00 C ATOM 558 O ALA A 53 -3.051 2.028 -10.959 1.00 0.00 O ATOM 559 CB ALA A 53 -5.086 2.097 -9.074 1.00 0.00 C ATOM 0 H ALA A 53 -2.925 0.551 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.927 0.064 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.436 2.508 -10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.941 1.890 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.430 2.818 -8.586 1.00 0.00 H new ATOM 565 N TYR A 54 -2.098 0.228 -10.138 1.00 0.00 N ATOM 566 CA TYR A 54 -0.880 0.437 -10.974 1.00 0.00 C ATOM 567 C TYR A 54 -0.164 -0.895 -11.209 1.00 0.00 C ATOM 568 O TYR A 54 0.299 -1.179 -12.294 1.00 0.00 O ATOM 569 CB TYR A 54 0.001 1.384 -10.158 1.00 0.00 C ATOM 570 CG TYR A 54 0.409 2.557 -11.015 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.520 3.560 -11.317 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.717 2.644 -11.506 1.00 0.00 C ATOM 573 CE1 TYR A 54 -0.141 4.648 -12.113 1.00 0.00 C ATOM 574 CE2 TYR A 54 2.095 3.731 -12.302 1.00 0.00 C ATOM 575 CZ TYR A 54 1.168 4.733 -12.604 1.00 0.00 C ATOM 576 OH TYR A 54 1.541 5.805 -13.389 1.00 0.00 O ATOM 0 H TYR A 54 -2.075 -0.593 -9.533 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.118 0.846 -11.956 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.540 1.733 -9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.885 0.857 -9.800 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.529 3.495 -10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.435 1.872 -11.270 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.858 5.421 -12.348 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.103 3.796 -12.683 1.00 0.00 H new ATOM 0 HH TYR A 54 2.482 5.711 -13.645 1.00 0.00 H new ATOM 586 N ALA A 55 -0.071 -1.713 -10.197 1.00 0.00 N ATOM 587 CA ALA A 55 0.615 -3.026 -10.362 1.00 0.00 C ATOM 588 C ALA A 55 0.147 -4.006 -9.285 1.00 0.00 C ATOM 589 O ALA A 55 -0.384 -3.605 -8.268 1.00 0.00 O ATOM 590 CB ALA A 55 2.106 -2.721 -10.189 1.00 0.00 C ATOM 0 H ALA A 55 -0.440 -1.530 -9.264 1.00 0.00 H new ATOM 0 HA ALA A 55 0.399 -3.483 -11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.680 -3.641 -10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.421 -2.005 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.279 -2.300 -9.199 1.00 0.00 H new ATOM 596 N PRO A 56 0.372 -5.266 -9.541 1.00 0.00 N ATOM 597 CA PRO A 56 -0.019 -6.320 -8.575 1.00 0.00 C ATOM 598 C PRO A 56 0.841 -6.211 -7.318 1.00 0.00 C ATOM 599 O PRO A 56 2.011 -6.540 -7.320 1.00 0.00 O ATOM 600 CB PRO A 56 0.245 -7.619 -9.333 1.00 0.00 C ATOM 601 CG PRO A 56 1.267 -7.260 -10.361 1.00 0.00 C ATOM 602 CD PRO A 56 1.012 -5.825 -10.737 1.00 0.00 C ATOM 0 HA PRO A 56 -1.053 -6.249 -8.239 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.612 -8.399 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.666 -7.999 -9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.275 -7.384 -9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.185 -7.910 -11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.938 -5.303 -10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.366 -5.748 -11.611 1.00 0.00 H new ATOM 610 N LYS A 57 0.265 -5.731 -6.251 1.00 0.00 N ATOM 611 CA LYS A 57 1.030 -5.567 -4.982 1.00 0.00 C ATOM 612 C LYS A 57 2.004 -6.728 -4.776 1.00 0.00 C ATOM 613 O LYS A 57 3.114 -6.533 -4.329 1.00 0.00 O ATOM 614 CB LYS A 57 -0.029 -5.557 -3.882 1.00 0.00 C ATOM 615 CG LYS A 57 -0.931 -4.334 -4.059 1.00 0.00 C ATOM 616 CD LYS A 57 -2.359 -4.794 -4.347 1.00 0.00 C ATOM 617 CE LYS A 57 -3.042 -5.190 -3.036 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.477 -5.369 -3.389 1.00 0.00 N ATOM 0 H LYS A 57 -0.712 -5.443 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 57 1.631 -4.658 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.623 -6.470 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.448 -5.532 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.910 -3.719 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.565 -3.714 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.918 -3.995 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.348 -5.640 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.617 -6.109 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.916 -4.419 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.012 -5.642 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.856 -4.476 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.567 -6.114 -4.109 1.00 0.00 H new ATOM 632 N LYS A 58 1.605 -7.928 -5.093 1.00 0.00 N ATOM 633 CA LYS A 58 2.523 -9.091 -4.902 1.00 0.00 C ATOM 634 C LYS A 58 3.846 -8.853 -5.637 1.00 0.00 C ATOM 635 O LYS A 58 4.906 -9.242 -5.183 1.00 0.00 O ATOM 636 CB LYS A 58 1.787 -10.284 -5.508 1.00 0.00 C ATOM 637 CG LYS A 58 2.401 -11.582 -4.978 1.00 0.00 C ATOM 638 CD LYS A 58 2.057 -12.733 -5.922 1.00 0.00 C ATOM 639 CE LYS A 58 1.166 -13.744 -5.196 1.00 0.00 C ATOM 640 NZ LYS A 58 -0.213 -13.198 -5.320 1.00 0.00 N ATOM 0 H LYS A 58 0.687 -8.156 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 58 2.767 -9.251 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.728 -10.239 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.856 -10.254 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.483 -11.477 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.023 -11.793 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.546 -12.351 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.970 -13.219 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.241 -14.733 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.457 -13.848 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.883 -13.837 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.256 -12.259 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.465 -13.116 -6.326 1.00 0.00 H new ATOM 654 N GLU A 59 3.795 -8.214 -6.768 1.00 0.00 N ATOM 655 CA GLU A 59 5.051 -7.955 -7.529 1.00 0.00 C ATOM 656 C GLU A 59 5.734 -6.695 -6.996 1.00 0.00 C ATOM 657 O GLU A 59 6.940 -6.650 -6.869 1.00 0.00 O ATOM 658 CB GLU A 59 4.618 -7.824 -9.002 1.00 0.00 C ATOM 659 CG GLU A 59 4.592 -6.355 -9.448 1.00 0.00 C ATOM 660 CD GLU A 59 6.019 -5.891 -9.750 1.00 0.00 C ATOM 661 OE1 GLU A 59 6.838 -6.734 -10.079 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.269 -4.701 -9.648 1.00 0.00 O ATOM 0 H GLU A 59 2.942 -7.859 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 59 5.786 -8.753 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.303 -8.387 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.629 -8.263 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.966 -6.243 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.153 -5.734 -8.667 1.00 0.00 H new ATOM 669 N LEU A 60 4.992 -5.683 -6.649 1.00 0.00 N ATOM 670 CA LEU A 60 5.660 -4.484 -6.093 1.00 0.00 C ATOM 671 C LEU A 60 6.338 -4.924 -4.799 1.00 0.00 C ATOM 672 O LEU A 60 7.532 -4.785 -4.622 1.00 0.00 O ATOM 673 CB LEU A 60 4.539 -3.444 -5.852 1.00 0.00 C ATOM 674 CG LEU A 60 4.531 -2.935 -4.397 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.902 -2.347 -4.030 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.461 -1.852 -4.259 1.00 0.00 C ATOM 0 H LEU A 60 3.976 -5.635 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 60 6.416 -4.043 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.673 -2.602 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.573 -3.891 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 60 4.315 -3.766 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.881 -1.992 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.667 -3.116 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.131 -1.515 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.446 -1.484 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.687 -1.029 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.486 -2.270 -4.509 1.00 0.00 H new ATOM 688 N ILE A 61 5.570 -5.463 -3.894 1.00 0.00 N ATOM 689 CA ILE A 61 6.140 -5.927 -2.607 1.00 0.00 C ATOM 690 C ILE A 61 7.350 -6.796 -2.886 1.00 0.00 C ATOM 691 O ILE A 61 8.264 -6.886 -2.093 1.00 0.00 O ATOM 692 CB ILE A 61 5.029 -6.739 -1.973 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.726 -7.940 -2.877 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.793 -5.852 -1.833 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.759 -9.057 -2.653 1.00 0.00 C ATOM 0 H ILE A 61 4.565 -5.601 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 61 6.466 -5.113 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 61 5.323 -7.098 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.724 -8.316 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.739 -7.629 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.984 -6.424 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.030 -4.994 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.481 -5.504 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.529 -9.901 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.756 -8.682 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.726 -9.380 -1.613 1.00 0.00 H new ATOM 707 N ASN A 62 7.368 -7.428 -4.028 1.00 0.00 N ATOM 708 CA ASN A 62 8.531 -8.277 -4.378 1.00 0.00 C ATOM 709 C ASN A 62 9.825 -7.536 -4.029 1.00 0.00 C ATOM 710 O ASN A 62 10.870 -8.140 -3.897 1.00 0.00 O ATOM 711 CB ASN A 62 8.422 -8.501 -5.887 1.00 0.00 C ATOM 712 CG ASN A 62 9.123 -9.807 -6.265 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.653 -10.538 -7.114 1.00 0.00 O ATOM 714 ND2 ASN A 62 10.236 -10.133 -5.670 1.00 0.00 N ATOM 0 H ASN A 62 6.628 -7.391 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 62 8.543 -9.222 -3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.374 -8.540 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.874 -7.666 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.711 -11.001 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.632 -9.520 -4.957 1.00 0.00 H new ATOM 721 N ILE A 63 9.770 -6.230 -3.863 1.00 0.00 N ATOM 722 CA ILE A 63 11.013 -5.487 -3.506 1.00 0.00 C ATOM 723 C ILE A 63 11.786 -6.256 -2.439 1.00 0.00 C ATOM 724 O ILE A 63 12.700 -7.005 -2.727 1.00 0.00 O ATOM 725 CB ILE A 63 10.525 -4.136 -2.976 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.228 -3.228 -4.162 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.604 -3.490 -2.103 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.071 -2.293 -3.816 1.00 0.00 C ATOM 0 H ILE A 63 8.929 -5.660 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 63 11.690 -5.361 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 63 9.628 -4.283 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.114 -2.647 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.975 -3.827 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.245 -2.530 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.830 -4.143 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.507 -3.336 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.861 -1.644 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.185 -2.882 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.341 -1.684 -2.953 1.00 0.00 H new ATOM 740 N LYS A 64 11.414 -6.082 -1.216 1.00 0.00 N ATOM 741 CA LYS A 64 12.106 -6.805 -0.110 1.00 0.00 C ATOM 742 C LYS A 64 11.421 -8.152 0.145 1.00 0.00 C ATOM 743 O LYS A 64 11.410 -8.653 1.251 1.00 0.00 O ATOM 744 CB LYS A 64 11.964 -5.893 1.109 1.00 0.00 C ATOM 745 CG LYS A 64 13.169 -6.083 2.034 1.00 0.00 C ATOM 746 CD LYS A 64 14.398 -5.405 1.421 1.00 0.00 C ATOM 747 CE LYS A 64 15.429 -6.467 1.034 1.00 0.00 C ATOM 748 NZ LYS A 64 16.583 -6.236 1.947 1.00 0.00 N ATOM 0 H LYS A 64 10.655 -5.467 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 64 13.150 -7.015 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.897 -4.852 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.042 -6.124 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.958 -5.658 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.363 -7.145 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.108 -4.828 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.833 -4.704 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.025 -7.472 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.726 -6.367 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.332 -6.928 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.951 -5.274 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.272 -6.345 2.934 1.00 0.00 H new ATOM 762 N GLY A 65 10.846 -8.739 -0.870 1.00 0.00 N ATOM 763 CA GLY A 65 10.160 -10.049 -0.684 1.00 0.00 C ATOM 764 C GLY A 65 9.224 -9.963 0.523 1.00 0.00 C ATOM 765 O GLY A 65 9.356 -10.701 1.478 1.00 0.00 O ATOM 0 H GLY A 65 10.822 -8.368 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.595 -10.307 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.895 -10.839 -0.533 1.00 0.00 H new ATOM 769 N ILE A 66 8.287 -9.056 0.490 1.00 0.00 N ATOM 770 CA ILE A 66 7.349 -8.903 1.630 1.00 0.00 C ATOM 771 C ILE A 66 6.005 -9.552 1.323 1.00 0.00 C ATOM 772 O ILE A 66 5.519 -10.407 2.036 1.00 0.00 O ATOM 773 CB ILE A 66 7.167 -7.397 1.765 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.518 -6.685 1.690 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.526 -7.107 3.100 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.717 -6.082 0.299 1.00 0.00 C ATOM 0 H ILE A 66 8.132 -8.411 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 66 7.729 -9.376 2.536 1.00 0.00 H new ATOM 0 HB ILE A 66 6.537 -7.037 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.567 -5.901 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.321 -7.389 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.389 -6.031 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.557 -7.604 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.168 -7.476 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.682 -5.577 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.688 -6.875 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.922 -5.364 0.097 1.00 0.00 H new ATOM 788 N SER A 67 5.414 -9.111 0.263 1.00 0.00 N ATOM 789 CA SER A 67 4.076 -9.622 -0.177 1.00 0.00 C ATOM 790 C SER A 67 2.962 -8.977 0.654 1.00 0.00 C ATOM 791 O SER A 67 3.036 -7.820 1.034 1.00 0.00 O ATOM 792 CB SER A 67 4.110 -11.136 0.046 1.00 0.00 C ATOM 793 OG SER A 67 3.282 -11.772 -0.919 1.00 0.00 O ATOM 0 H SER A 67 5.807 -8.393 -0.346 1.00 0.00 H new ATOM 0 HA SER A 67 3.876 -9.381 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.133 -11.504 -0.036 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.765 -11.375 1.052 1.00 0.00 H new ATOM 0 HG SER A 67 3.303 -12.742 -0.780 1.00 0.00 H new ATOM 799 N GLU A 68 1.928 -9.719 0.929 1.00 0.00 N ATOM 800 CA GLU A 68 0.792 -9.175 1.722 1.00 0.00 C ATOM 801 C GLU A 68 1.285 -8.525 3.021 1.00 0.00 C ATOM 802 O GLU A 68 0.575 -7.761 3.646 1.00 0.00 O ATOM 803 CB GLU A 68 -0.070 -10.398 2.034 1.00 0.00 C ATOM 804 CG GLU A 68 -1.434 -9.945 2.549 1.00 0.00 C ATOM 805 CD GLU A 68 -2.163 -11.134 3.175 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.347 -12.123 2.484 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.525 -11.036 4.336 1.00 0.00 O ATOM 0 H GLU A 68 1.820 -10.690 0.635 1.00 0.00 H new ATOM 0 HA GLU A 68 0.248 -8.400 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.192 -11.007 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.423 -11.022 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.311 -9.151 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.025 -9.532 1.731 1.00 0.00 H new ATOM 814 N ALA A 69 2.483 -8.830 3.442 1.00 0.00 N ATOM 815 CA ALA A 69 2.998 -8.234 4.709 1.00 0.00 C ATOM 816 C ALA A 69 2.698 -6.731 4.778 1.00 0.00 C ATOM 817 O ALA A 69 1.807 -6.300 5.485 1.00 0.00 O ATOM 818 CB ALA A 69 4.504 -8.494 4.700 1.00 0.00 C ATOM 0 H ALA A 69 3.125 -9.463 2.966 1.00 0.00 H new ATOM 0 HA ALA A 69 2.519 -8.676 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.950 -8.081 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.688 -9.568 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.950 -8.018 3.827 1.00 0.00 H new ATOM 824 N LYS A 70 3.428 -5.930 4.055 1.00 0.00 N ATOM 825 CA LYS A 70 3.184 -4.464 4.088 1.00 0.00 C ATOM 826 C LYS A 70 2.087 -4.093 3.090 1.00 0.00 C ATOM 827 O LYS A 70 1.224 -3.286 3.374 1.00 0.00 O ATOM 828 CB LYS A 70 4.523 -3.832 3.694 1.00 0.00 C ATOM 829 CG LYS A 70 4.689 -3.866 2.171 1.00 0.00 C ATOM 830 CD LYS A 70 5.968 -3.127 1.778 1.00 0.00 C ATOM 831 CE LYS A 70 6.913 -4.093 1.061 1.00 0.00 C ATOM 832 NZ LYS A 70 7.446 -3.336 -0.107 1.00 0.00 N ATOM 0 H LYS A 70 4.185 -6.229 3.441 1.00 0.00 H new ATOM 0 HA LYS A 70 2.848 -4.117 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.568 -2.803 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.343 -4.370 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.732 -4.898 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.827 -3.403 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.730 -2.285 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.452 -2.718 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.719 -4.415 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.386 -4.991 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.296 -3.812 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.724 -3.298 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.690 -2.369 0.188 1.00 0.00 H new ATOM 846 N ALA A 71 2.113 -4.669 1.919 1.00 0.00 N ATOM 847 CA ALA A 71 1.063 -4.327 0.915 1.00 0.00 C ATOM 848 C ALA A 71 -0.311 -4.348 1.576 1.00 0.00 C ATOM 849 O ALA A 71 -0.985 -3.341 1.671 1.00 0.00 O ATOM 850 CB ALA A 71 1.150 -5.415 -0.154 1.00 0.00 C ATOM 0 H ALA A 71 2.806 -5.353 1.616 1.00 0.00 H new ATOM 0 HA ALA A 71 1.209 -3.333 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.404 -5.227 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.144 -5.408 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.963 -6.388 0.301 1.00 0.00 H new ATOM 856 N ASP A 72 -0.729 -5.488 2.038 1.00 0.00 N ATOM 857 CA ASP A 72 -2.060 -5.578 2.700 1.00 0.00 C ATOM 858 C ASP A 72 -2.070 -4.699 3.948 1.00 0.00 C ATOM 859 O ASP A 72 -3.046 -4.044 4.253 1.00 0.00 O ATOM 860 CB ASP A 72 -2.225 -7.049 3.077 1.00 0.00 C ATOM 861 CG ASP A 72 -3.669 -7.308 3.514 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.547 -6.609 3.035 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.872 -8.200 4.322 1.00 0.00 O ATOM 0 H ASP A 72 -0.208 -6.364 1.987 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.870 -5.238 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.972 -7.683 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.538 -7.308 3.883 1.00 0.00 H new ATOM 868 N LYS A 73 -0.983 -4.676 4.667 1.00 0.00 N ATOM 869 CA LYS A 73 -0.920 -3.835 5.891 1.00 0.00 C ATOM 870 C LYS A 73 -1.387 -2.411 5.572 1.00 0.00 C ATOM 871 O LYS A 73 -1.928 -1.723 6.416 1.00 0.00 O ATOM 872 CB LYS A 73 0.555 -3.848 6.294 1.00 0.00 C ATOM 873 CG LYS A 73 0.799 -2.819 7.397 1.00 0.00 C ATOM 874 CD LYS A 73 0.416 -3.420 8.751 1.00 0.00 C ATOM 875 CE LYS A 73 -0.535 -2.468 9.481 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.558 -3.353 10.105 1.00 0.00 N ATOM 0 H LYS A 73 -0.136 -5.204 4.459 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.562 -4.204 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.838 -4.842 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.180 -3.623 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.847 -2.519 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.212 -1.921 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.061 -4.390 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.310 -3.590 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.007 -1.882 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.993 -1.760 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.248 -2.774 10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.048 -3.893 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.093 -4.011 10.763 1.00 0.00 H new ATOM 890 N ILE A 74 -1.188 -1.965 4.360 1.00 0.00 N ATOM 891 CA ILE A 74 -1.631 -0.588 3.996 1.00 0.00 C ATOM 892 C ILE A 74 -3.098 -0.619 3.551 1.00 0.00 C ATOM 893 O ILE A 74 -3.917 0.141 4.029 1.00 0.00 O ATOM 894 CB ILE A 74 -0.696 -0.163 2.852 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.510 0.577 3.438 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.428 0.767 1.876 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.039 1.870 4.105 1.00 0.00 C ATOM 0 H ILE A 74 -0.740 -2.492 3.610 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.577 0.114 4.828 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.370 -1.053 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.020 -0.055 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.230 0.802 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.751 1.058 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.289 0.248 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.766 1.658 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.897 2.397 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.452 2.503 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.664 1.632 4.903 1.00 0.00 H new ATOM 909 N LEU A 75 -3.434 -1.493 2.645 1.00 0.00 N ATOM 910 CA LEU A 75 -4.846 -1.568 2.177 1.00 0.00 C ATOM 911 C LEU A 75 -5.796 -1.522 3.375 1.00 0.00 C ATOM 912 O LEU A 75 -6.911 -1.048 3.278 1.00 0.00 O ATOM 913 CB LEU A 75 -4.956 -2.913 1.456 1.00 0.00 C ATOM 914 CG LEU A 75 -4.755 -2.713 -0.047 1.00 0.00 C ATOM 915 CD1 LEU A 75 -5.724 -1.645 -0.554 1.00 0.00 C ATOM 916 CD2 LEU A 75 -3.317 -2.265 -0.317 1.00 0.00 C ATOM 0 H LEU A 75 -2.794 -2.157 2.209 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.112 -0.736 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.209 -3.606 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.932 -3.359 1.645 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.945 -3.653 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.581 -1.503 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.749 -1.964 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.534 -0.706 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.175 -2.123 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.125 -1.326 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.625 -3.027 0.043 1.00 0.00 H new ATOM 928 N ALA A 76 -5.362 -2.005 4.506 1.00 0.00 N ATOM 929 CA ALA A 76 -6.240 -1.980 5.708 1.00 0.00 C ATOM 930 C ALA A 76 -6.082 -0.642 6.430 1.00 0.00 C ATOM 931 O ALA A 76 -7.049 -0.014 6.812 1.00 0.00 O ATOM 932 CB ALA A 76 -5.753 -3.132 6.587 1.00 0.00 C ATOM 0 H ALA A 76 -4.439 -2.415 4.649 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.295 -2.089 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.355 -3.177 7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.848 -4.071 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.708 -2.971 6.852 1.00 0.00 H new ATOM 938 N GLU A 77 -4.869 -0.196 6.611 1.00 0.00 N ATOM 939 CA GLU A 77 -4.650 1.108 7.298 1.00 0.00 C ATOM 940 C GLU A 77 -5.238 2.244 6.457 1.00 0.00 C ATOM 941 O GLU A 77 -5.659 3.258 6.974 1.00 0.00 O ATOM 942 CB GLU A 77 -3.131 1.254 7.407 1.00 0.00 C ATOM 943 CG GLU A 77 -2.636 0.553 8.674 1.00 0.00 C ATOM 944 CD GLU A 77 -3.170 1.284 9.906 1.00 0.00 C ATOM 945 OE1 GLU A 77 -3.382 2.482 9.815 1.00 0.00 O ATOM 946 OE2 GLU A 77 -3.358 0.634 10.922 1.00 0.00 O ATOM 0 H GLU A 77 -4.021 -0.678 6.313 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.131 1.147 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.650 0.822 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.858 2.309 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.969 -0.485 8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.546 0.538 8.691 1.00 0.00 H new ATOM 953 N ALA A 78 -5.271 2.081 5.160 1.00 0.00 N ATOM 954 CA ALA A 78 -5.835 3.155 4.291 1.00 0.00 C ATOM 955 C ALA A 78 -7.364 3.122 4.333 1.00 0.00 C ATOM 956 O ALA A 78 -8.009 4.104 4.646 1.00 0.00 O ATOM 957 CB ALA A 78 -5.330 2.833 2.884 1.00 0.00 C ATOM 0 H ALA A 78 -4.933 1.254 4.667 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.531 4.150 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.703 3.580 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.240 2.842 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.686 1.847 2.586 1.00 0.00 H new ATOM 963 N ALA A 79 -7.950 2.000 4.016 1.00 0.00 N ATOM 964 CA ALA A 79 -9.439 1.903 4.032 1.00 0.00 C ATOM 965 C ALA A 79 -9.988 2.279 5.412 1.00 0.00 C ATOM 966 O ALA A 79 -11.160 2.562 5.567 1.00 0.00 O ATOM 967 CB ALA A 79 -9.744 0.438 3.718 1.00 0.00 C ATOM 0 H ALA A 79 -7.463 1.145 3.746 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.900 2.582 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.823 0.284 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.335 0.183 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.292 -0.199 4.478 1.00 0.00 H new ATOM 973 N LYS A 80 -9.157 2.278 6.418 1.00 0.00 N ATOM 974 CA LYS A 80 -9.644 2.629 7.783 1.00 0.00 C ATOM 975 C LYS A 80 -9.345 4.099 8.101 1.00 0.00 C ATOM 976 O LYS A 80 -10.146 4.787 8.701 1.00 0.00 O ATOM 977 CB LYS A 80 -8.872 1.708 8.727 1.00 0.00 C ATOM 978 CG LYS A 80 -9.844 0.738 9.402 1.00 0.00 C ATOM 979 CD LYS A 80 -9.127 -0.582 9.695 1.00 0.00 C ATOM 980 CE LYS A 80 -8.079 -0.365 10.787 1.00 0.00 C ATOM 981 NZ LYS A 80 -7.591 -1.730 11.126 1.00 0.00 N ATOM 0 H LYS A 80 -8.165 2.050 6.355 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.722 2.502 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.115 1.154 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.348 2.297 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.223 1.171 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.705 0.561 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.847 -1.336 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.651 -0.958 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.266 0.269 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.512 0.127 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.867 -1.665 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.386 -2.308 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.178 -2.171 10.279 1.00 0.00 H new ATOM 995 N LEU A 81 -8.198 4.584 7.709 1.00 0.00 N ATOM 996 CA LEU A 81 -7.854 6.006 7.997 1.00 0.00 C ATOM 997 C LEU A 81 -8.385 6.924 6.892 1.00 0.00 C ATOM 998 O LEU A 81 -8.600 8.101 7.101 1.00 0.00 O ATOM 999 CB LEU A 81 -6.324 6.042 8.037 1.00 0.00 C ATOM 1000 CG LEU A 81 -5.838 5.743 9.457 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.591 4.533 10.015 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -4.338 5.439 9.425 1.00 0.00 C ATOM 0 H LEU A 81 -7.485 4.058 7.203 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.297 6.353 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.915 5.310 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.965 7.021 7.718 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.024 6.608 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.243 4.322 11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.659 4.748 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.408 3.666 9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.988 5.226 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.156 4.574 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.800 6.301 9.030 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.593 6.399 5.715 1.00 0.00 N ATOM 1015 CA VAL A 82 -9.106 7.251 4.603 1.00 0.00 C ATOM 1016 C VAL A 82 -10.347 6.615 3.968 1.00 0.00 C ATOM 1017 O VAL A 82 -10.394 6.410 2.771 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.959 7.311 3.592 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -8.415 8.064 2.341 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.768 8.040 4.218 1.00 0.00 C ATOM 0 H VAL A 82 -8.431 5.421 5.475 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.403 8.242 4.948 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.665 6.298 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.596 8.105 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.264 7.547 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.710 9.077 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.950 8.084 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.064 9.052 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.440 7.504 5.109 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.317 6.328 4.795 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.575 5.710 4.308 1.00 0.00 C ATOM 1032 C PRO A 83 -13.410 6.736 3.535 1.00 0.00 C ATOM 1033 O PRO A 83 -14.429 7.200 4.004 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.287 5.289 5.591 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.745 6.196 6.648 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.334 6.546 6.246 1.00 0.00 C ATOM 0 HA PRO A 83 -12.407 4.877 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.368 5.395 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.089 4.244 5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.355 7.095 6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.759 5.706 7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.091 7.578 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.605 5.914 6.754 1.00 0.00 H new ATOM 1044 N MET A 84 -12.985 7.093 2.354 1.00 0.00 N ATOM 1045 CA MET A 84 -13.757 8.089 1.556 1.00 0.00 C ATOM 1046 C MET A 84 -13.572 7.827 0.059 1.00 0.00 C ATOM 1047 O MET A 84 -12.503 8.019 -0.487 1.00 0.00 O ATOM 1048 CB MET A 84 -13.171 9.448 1.938 1.00 0.00 C ATOM 1049 CG MET A 84 -13.949 10.557 1.229 1.00 0.00 C ATOM 1050 SD MET A 84 -14.808 11.575 2.455 1.00 0.00 S ATOM 1051 CE MET A 84 -15.588 10.222 3.371 1.00 0.00 C ATOM 0 H MET A 84 -12.139 6.739 1.907 1.00 0.00 H new ATOM 0 HA MET A 84 -14.827 8.036 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 84 -13.222 9.587 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 84 -12.118 9.493 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 84 -13.269 11.174 0.641 1.00 0.00 H new ATOM 0 HG3 MET A 84 -14.668 10.124 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 84 -16.423 10.611 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 84 -15.954 9.471 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 84 -14.858 9.768 4.041 1.00 0.00 H new ATOM 1061 N GLY A 85 -14.605 7.393 -0.609 1.00 0.00 N ATOM 1062 CA GLY A 85 -14.487 7.121 -2.070 1.00 0.00 C ATOM 1063 C GLY A 85 -15.543 7.929 -2.826 1.00 0.00 C ATOM 1064 O GLY A 85 -16.499 7.330 -3.291 1.00 0.00 O ATOM 0 H GLY A 85 -15.525 7.215 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.490 7.387 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.620 6.057 -2.265 1.00 0.00 H new TER 1068 GLY A 85