USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 1 MET CE :methyl -150:sc= -1.87! (180deg=-2.19!) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0509 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -66:sc= -1.52! USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.05) USER MOD Single : A 13 MET CE :methyl -178:sc= -0.937 (180deg=-0.945) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0656 (180deg=-0.442) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 29 THR OG1 : rot 43:sc= 0.59 USER MOD Single : A 31 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.7 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.58) USER MOD Single : A 58 HIS : no HE2:sc= 0.047 K(o=0.047,f=-1.2) USER MOD Single : A 59 HIS : no HD1:sc= 0.962 K(o=0.96,f=-5.2!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 62 HIS : no HD1:sc=-0.00197 X(o=-0.002,f=-0.27) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.408 -11.095 -1.442 1.00 62.45 N ATOM 2 CA MET A 1 12.013 -9.669 -1.432 1.00 15.12 C ATOM 3 C MET A 1 10.629 -9.516 -0.817 1.00 15.03 C ATOM 4 O MET A 1 9.782 -10.401 -0.958 1.00 25.34 O ATOM 5 CB MET A 1 12.019 -9.105 -2.860 1.00 51.54 C ATOM 6 CG MET A 1 11.722 -7.615 -2.936 1.00 44.41 C ATOM 7 SD MET A 1 11.695 -6.996 -4.631 1.00 73.11 S ATOM 8 CE MET A 1 10.305 -7.910 -5.301 1.00 13.14 C ATOM 0 H1 MET A 1 12.953 -11.298 -2.304 1.00 62.45 H new ATOM 0 H2 MET A 1 12.993 -11.299 -0.607 1.00 62.45 H new ATOM 0 H3 MET A 1 11.556 -11.691 -1.422 1.00 62.45 H new ATOM 0 HA MET A 1 12.732 -9.111 -0.832 1.00 15.12 H new ATOM 0 HB2 MET A 1 12.993 -9.295 -3.311 1.00 51.54 H new ATOM 0 HB3 MET A 1 11.282 -9.643 -3.456 1.00 51.54 H new ATOM 0 HG2 MET A 1 10.759 -7.416 -2.466 1.00 44.41 H new ATOM 0 HG3 MET A 1 12.474 -7.069 -2.366 1.00 44.41 H new ATOM 0 HE1 MET A 1 10.459 -8.076 -6.367 1.00 13.14 H new ATOM 0 HE2 MET A 1 10.222 -8.871 -4.792 1.00 13.14 H new ATOM 0 HE3 MET A 1 9.388 -7.340 -5.151 1.00 13.14 H new ATOM 20 N GLY A 2 10.408 -8.403 -0.127 1.00 24.31 N ATOM 21 CA GLY A 2 9.111 -8.134 0.464 1.00 70.51 C ATOM 22 C GLY A 2 8.089 -7.748 -0.583 1.00 54.24 C ATOM 23 O GLY A 2 7.787 -6.568 -0.769 1.00 53.23 O ATOM 0 H GLY A 2 11.108 -7.679 0.034 1.00 24.31 H new ATOM 0 HA2 GLY A 2 8.766 -9.017 1.002 1.00 70.51 H new ATOM 0 HA3 GLY A 2 9.204 -7.331 1.196 1.00 70.51 H new ATOM 27 N GLU A 3 7.576 -8.742 -1.283 1.00 64.33 N ATOM 28 CA GLU A 3 6.627 -8.508 -2.352 1.00 30.31 C ATOM 29 C GLU A 3 5.273 -9.107 -2.004 1.00 41.34 C ATOM 30 O GLU A 3 5.189 -10.212 -1.465 1.00 41.24 O ATOM 31 CB GLU A 3 7.146 -9.110 -3.657 1.00 0.13 C ATOM 32 CG GLU A 3 6.315 -8.731 -4.871 1.00 24.12 C ATOM 33 CD GLU A 3 6.395 -7.251 -5.190 1.00 72.02 C ATOM 34 OE1 GLU A 3 5.770 -6.435 -4.472 1.00 11.14 O ATOM 35 OE2 GLU A 3 7.076 -6.894 -6.168 1.00 44.23 O ATOM 0 H GLU A 3 7.803 -9.724 -1.128 1.00 64.33 H new ATOM 0 HA GLU A 3 6.508 -7.432 -2.480 1.00 30.31 H new ATOM 0 HB2 GLU A 3 8.174 -8.785 -3.814 1.00 0.13 H new ATOM 0 HB3 GLU A 3 7.166 -10.196 -3.565 1.00 0.13 H new ATOM 0 HG2 GLU A 3 6.655 -9.304 -5.733 1.00 24.12 H new ATOM 0 HG3 GLU A 3 5.275 -9.006 -4.696 1.00 24.12 H new ATOM 42 N LEU A 4 4.225 -8.365 -2.308 1.00 74.21 N ATOM 43 CA LEU A 4 2.866 -8.825 -2.094 1.00 61.44 C ATOM 44 C LEU A 4 2.081 -8.662 -3.384 1.00 73.05 C ATOM 45 O LEU A 4 2.607 -8.136 -4.362 1.00 3.40 O ATOM 46 CB LEU A 4 2.208 -8.035 -0.957 1.00 51.03 C ATOM 47 CG LEU A 4 2.847 -8.229 0.421 1.00 44.44 C ATOM 48 CD1 LEU A 4 2.232 -7.274 1.428 1.00 41.52 C ATOM 49 CD2 LEU A 4 2.683 -9.668 0.884 1.00 63.13 C ATOM 0 H LEU A 4 4.291 -7.429 -2.709 1.00 74.21 H new ATOM 0 HA LEU A 4 2.876 -9.877 -1.808 1.00 61.44 H new ATOM 0 HB2 LEU A 4 2.236 -6.975 -1.208 1.00 51.03 H new ATOM 0 HB3 LEU A 4 1.158 -8.320 -0.897 1.00 51.03 H new ATOM 0 HG LEU A 4 3.912 -8.011 0.343 1.00 44.44 H new ATOM 0 HD11 LEU A 4 2.697 -7.424 2.403 1.00 41.52 H new ATOM 0 HD12 LEU A 4 2.396 -6.247 1.102 1.00 41.52 H new ATOM 0 HD13 LEU A 4 1.161 -7.464 1.503 1.00 41.52 H new ATOM 0 HD21 LEU A 4 3.143 -9.789 1.865 1.00 63.13 H new ATOM 0 HD22 LEU A 4 1.622 -9.911 0.948 1.00 63.13 H new ATOM 0 HD23 LEU A 4 3.166 -10.337 0.172 1.00 63.13 H new ATOM 61 N SER A 5 0.841 -9.116 -3.399 1.00 23.21 N ATOM 62 CA SER A 5 0.017 -8.991 -4.587 1.00 63.53 C ATOM 63 C SER A 5 -0.642 -7.619 -4.635 1.00 71.22 C ATOM 64 O SER A 5 -1.638 -7.367 -3.959 1.00 64.14 O ATOM 65 CB SER A 5 -1.030 -10.102 -4.629 1.00 2.10 C ATOM 66 OG SER A 5 -0.408 -11.377 -4.701 1.00 73.23 O ATOM 0 H SER A 5 0.385 -9.571 -2.608 1.00 23.21 H new ATOM 0 HA SER A 5 0.654 -9.092 -5.466 1.00 63.53 H new ATOM 0 HB2 SER A 5 -1.659 -10.049 -3.741 1.00 2.10 H new ATOM 0 HB3 SER A 5 -1.682 -9.961 -5.491 1.00 2.10 H new ATOM 0 HG SER A 5 -1.095 -12.075 -4.725 1.00 73.23 H new ATOM 72 N TRP A 6 -0.062 -6.731 -5.422 1.00 72.45 N ATOM 73 CA TRP A 6 -0.560 -5.371 -5.549 1.00 4.03 C ATOM 74 C TRP A 6 -1.534 -5.254 -6.711 1.00 22.12 C ATOM 75 O TRP A 6 -1.313 -5.819 -7.784 1.00 75.44 O ATOM 76 CB TRP A 6 0.602 -4.395 -5.746 1.00 23.40 C ATOM 77 CG TRP A 6 1.300 -4.035 -4.471 1.00 70.53 C ATOM 78 CD1 TRP A 6 2.146 -4.818 -3.738 1.00 3.41 C ATOM 79 CD2 TRP A 6 1.209 -2.785 -3.783 1.00 22.24 C ATOM 80 NE1 TRP A 6 2.579 -4.130 -2.628 1.00 51.22 N ATOM 81 CE2 TRP A 6 2.018 -2.878 -2.636 1.00 21.11 C ATOM 82 CE3 TRP A 6 0.520 -1.595 -4.028 1.00 61.41 C ATOM 83 CZ2 TRP A 6 2.154 -1.826 -1.735 1.00 44.15 C ATOM 84 CZ3 TRP A 6 0.657 -0.552 -3.133 1.00 41.12 C ATOM 85 CH2 TRP A 6 1.469 -0.672 -1.999 1.00 62.34 C ATOM 0 H TRP A 6 0.763 -6.929 -5.989 1.00 72.45 H new ATOM 0 HA TRP A 6 -1.087 -5.119 -4.629 1.00 4.03 H new ATOM 0 HB2 TRP A 6 1.323 -4.835 -6.435 1.00 23.40 H new ATOM 0 HB3 TRP A 6 0.227 -3.486 -6.215 1.00 23.40 H new ATOM 0 HD1 TRP A 6 2.433 -5.828 -3.992 1.00 3.41 H new ATOM 0 HE1 TRP A 6 3.213 -4.492 -1.916 1.00 51.22 H new ATOM 0 HE3 TRP A 6 -0.108 -1.492 -4.901 1.00 61.41 H new ATOM 0 HZ2 TRP A 6 2.778 -1.918 -0.858 1.00 44.15 H new ATOM 0 HZ3 TRP A 6 0.128 0.373 -3.311 1.00 41.12 H new ATOM 0 HH2 TRP A 6 1.556 0.163 -1.319 1.00 62.34 H new ATOM 96 N THR A 7 -2.612 -4.525 -6.486 1.00 2.34 N ATOM 97 CA THR A 7 -3.601 -4.281 -7.519 1.00 74.35 C ATOM 98 C THR A 7 -3.355 -2.931 -8.175 1.00 42.14 C ATOM 99 O THR A 7 -2.728 -2.051 -7.578 1.00 53.31 O ATOM 100 CB THR A 7 -5.024 -4.310 -6.938 1.00 51.31 C ATOM 101 OG1 THR A 7 -5.122 -3.393 -5.840 1.00 22.42 O ATOM 102 CG2 THR A 7 -5.388 -5.708 -6.474 1.00 21.42 C ATOM 0 H THR A 7 -2.825 -4.089 -5.589 1.00 2.34 H new ATOM 0 HA THR A 7 -3.508 -5.072 -8.263 1.00 74.35 H new ATOM 0 HB THR A 7 -5.721 -4.013 -7.721 1.00 51.31 H new ATOM 0 HG1 THR A 7 -4.555 -3.703 -5.103 1.00 22.42 H new ATOM 0 HG21 THR A 7 -6.399 -5.704 -6.067 1.00 21.42 H new ATOM 0 HG22 THR A 7 -5.339 -6.396 -7.318 1.00 21.42 H new ATOM 0 HG23 THR A 7 -4.687 -6.029 -5.703 1.00 21.42 H new ATOM 110 N ALA A 8 -3.863 -2.757 -9.389 1.00 55.34 N ATOM 111 CA ALA A 8 -3.690 -1.506 -10.114 1.00 3.24 C ATOM 112 C ALA A 8 -4.407 -0.370 -9.394 1.00 11.21 C ATOM 113 O ALA A 8 -3.998 0.789 -9.473 1.00 52.41 O ATOM 114 CB ALA A 8 -4.200 -1.642 -11.542 1.00 24.05 C ATOM 0 H ALA A 8 -4.397 -3.466 -9.891 1.00 55.34 H new ATOM 0 HA ALA A 8 -2.626 -1.272 -10.151 1.00 3.24 H new ATOM 0 HB1 ALA A 8 -4.063 -0.698 -12.069 1.00 24.05 H new ATOM 0 HB2 ALA A 8 -3.644 -2.427 -12.054 1.00 24.05 H new ATOM 0 HB3 ALA A 8 -5.259 -1.899 -11.527 1.00 24.05 H new ATOM 120 N GLU A 9 -5.468 -0.718 -8.674 1.00 63.52 N ATOM 121 CA GLU A 9 -6.234 0.257 -7.909 1.00 53.23 C ATOM 122 C GLU A 9 -5.368 0.891 -6.826 1.00 72.44 C ATOM 123 O GLU A 9 -5.403 2.106 -6.619 1.00 74.04 O ATOM 124 CB GLU A 9 -7.463 -0.406 -7.286 1.00 40.12 C ATOM 125 CG GLU A 9 -8.425 -0.984 -8.312 1.00 2.12 C ATOM 126 CD GLU A 9 -8.783 0.014 -9.392 1.00 53.04 C ATOM 127 OE1 GLU A 9 -9.484 1.004 -9.087 1.00 35.22 O ATOM 128 OE2 GLU A 9 -8.354 -0.175 -10.548 1.00 33.35 O ATOM 0 H GLU A 9 -5.818 -1.674 -8.605 1.00 63.52 H new ATOM 0 HA GLU A 9 -6.566 1.043 -8.587 1.00 53.23 H new ATOM 0 HB2 GLU A 9 -7.137 -1.202 -6.617 1.00 40.12 H new ATOM 0 HB3 GLU A 9 -7.992 0.327 -6.676 1.00 40.12 H new ATOM 0 HG2 GLU A 9 -7.977 -1.866 -8.770 1.00 2.12 H new ATOM 0 HG3 GLU A 9 -9.334 -1.313 -7.809 1.00 2.12 H new ATOM 135 N ALA A 10 -4.571 0.065 -6.158 1.00 13.00 N ATOM 136 CA ALA A 10 -3.680 0.546 -5.111 1.00 52.00 C ATOM 137 C ALA A 10 -2.510 1.316 -5.713 1.00 63.41 C ATOM 138 O ALA A 10 -2.087 2.340 -5.177 1.00 72.52 O ATOM 139 CB ALA A 10 -3.178 -0.617 -4.264 1.00 1.25 C ATOM 0 H ALA A 10 -4.524 -0.940 -6.323 1.00 13.00 H new ATOM 0 HA ALA A 10 -4.240 1.225 -4.467 1.00 52.00 H new ATOM 0 HB1 ALA A 10 -2.513 -0.241 -3.486 1.00 1.25 H new ATOM 0 HB2 ALA A 10 -4.026 -1.124 -3.803 1.00 1.25 H new ATOM 0 HB3 ALA A 10 -2.635 -1.320 -4.896 1.00 1.25 H new ATOM 145 N GLU A 11 -2.011 0.829 -6.846 1.00 54.14 N ATOM 146 CA GLU A 11 -0.867 1.445 -7.516 1.00 52.15 C ATOM 147 C GLU A 11 -1.187 2.863 -7.984 1.00 20.11 C ATOM 148 O GLU A 11 -0.308 3.721 -8.021 1.00 12.42 O ATOM 149 CB GLU A 11 -0.418 0.588 -8.700 1.00 22.44 C ATOM 150 CG GLU A 11 0.028 -0.809 -8.302 1.00 43.11 C ATOM 151 CD GLU A 11 0.465 -1.634 -9.490 1.00 22.14 C ATOM 152 OE1 GLU A 11 -0.409 -2.128 -10.234 1.00 11.10 O ATOM 153 OE2 GLU A 11 1.687 -1.793 -9.693 1.00 44.32 O ATOM 0 H GLU A 11 -2.382 0.006 -7.322 1.00 54.14 H new ATOM 0 HA GLU A 11 -0.055 1.507 -6.792 1.00 52.15 H new ATOM 0 HB2 GLU A 11 -1.238 0.510 -9.413 1.00 22.44 H new ATOM 0 HB3 GLU A 11 0.403 1.091 -9.212 1.00 22.44 H new ATOM 0 HG2 GLU A 11 0.851 -0.736 -7.591 1.00 43.11 H new ATOM 0 HG3 GLU A 11 -0.790 -1.317 -7.791 1.00 43.11 H new ATOM 160 N LYS A 12 -2.444 3.106 -8.339 1.00 34.42 N ATOM 161 CA LYS A 12 -2.870 4.436 -8.765 1.00 43.31 C ATOM 162 C LYS A 12 -2.735 5.443 -7.625 1.00 5.24 C ATOM 163 O LYS A 12 -2.295 6.573 -7.832 1.00 53.31 O ATOM 164 CB LYS A 12 -4.313 4.412 -9.273 1.00 24.35 C ATOM 165 CG LYS A 12 -4.489 3.658 -10.583 1.00 45.14 C ATOM 166 CD LYS A 12 -5.937 3.667 -11.055 1.00 71.42 C ATOM 167 CE LYS A 12 -6.858 2.976 -10.062 1.00 4.11 C ATOM 168 NZ LYS A 12 -8.254 2.888 -10.563 1.00 24.23 N ATOM 0 H LYS A 12 -3.184 2.404 -8.341 1.00 34.42 H new ATOM 0 HA LYS A 12 -2.218 4.745 -9.582 1.00 43.31 H new ATOM 0 HB2 LYS A 12 -4.948 3.956 -8.514 1.00 24.35 H new ATOM 0 HB3 LYS A 12 -4.659 5.437 -9.405 1.00 24.35 H new ATOM 0 HG2 LYS A 12 -3.855 4.107 -11.348 1.00 45.14 H new ATOM 0 HG3 LYS A 12 -4.155 2.628 -10.457 1.00 45.14 H new ATOM 0 HD2 LYS A 12 -6.266 4.696 -11.200 1.00 71.42 H new ATOM 0 HD3 LYS A 12 -6.007 3.170 -12.023 1.00 71.42 H new ATOM 0 HE2 LYS A 12 -6.483 1.973 -9.857 1.00 4.11 H new ATOM 0 HE3 LYS A 12 -6.846 3.520 -9.118 1.00 4.11 H new ATOM 0 HZ1 LYS A 12 -8.851 2.425 -9.848 1.00 24.23 H new ATOM 0 HZ2 LYS A 12 -8.617 3.845 -10.750 1.00 24.23 H new ATOM 0 HZ3 LYS A 12 -8.273 2.332 -11.442 1.00 24.23 H new ATOM 182 N MET A 13 -3.098 5.024 -6.418 1.00 31.33 N ATOM 183 CA MET A 13 -3.006 5.895 -5.253 1.00 13.03 C ATOM 184 C MET A 13 -1.571 5.960 -4.746 1.00 25.31 C ATOM 185 O MET A 13 -1.157 6.956 -4.154 1.00 12.14 O ATOM 186 CB MET A 13 -3.948 5.426 -4.140 1.00 35.54 C ATOM 187 CG MET A 13 -5.417 5.584 -4.492 1.00 10.33 C ATOM 188 SD MET A 13 -6.513 5.132 -3.134 1.00 1.31 S ATOM 189 CE MET A 13 -6.081 3.407 -2.908 1.00 74.14 C ATOM 0 H MET A 13 -3.457 4.090 -6.221 1.00 31.33 H new ATOM 0 HA MET A 13 -3.313 6.896 -5.555 1.00 13.03 H new ATOM 0 HB2 MET A 13 -3.745 4.378 -3.919 1.00 35.54 H new ATOM 0 HB3 MET A 13 -3.736 5.990 -3.232 1.00 35.54 H new ATOM 0 HG2 MET A 13 -5.608 6.618 -4.778 1.00 10.33 H new ATOM 0 HG3 MET A 13 -5.647 4.965 -5.360 1.00 10.33 H new ATOM 0 HE1 MET A 13 -6.702 2.976 -2.123 1.00 74.14 H new ATOM 0 HE2 MET A 13 -6.246 2.866 -3.840 1.00 74.14 H new ATOM 0 HE3 MET A 13 -5.032 3.329 -2.624 1.00 74.14 H new ATOM 199 N LEU A 14 -0.810 4.897 -4.995 1.00 24.05 N ATOM 200 CA LEU A 14 0.603 4.864 -4.635 1.00 13.34 C ATOM 201 C LEU A 14 1.397 5.820 -5.521 1.00 12.04 C ATOM 202 O LEU A 14 2.458 6.312 -5.136 1.00 72.44 O ATOM 203 CB LEU A 14 1.154 3.439 -4.765 1.00 65.22 C ATOM 204 CG LEU A 14 2.617 3.259 -4.345 1.00 42.21 C ATOM 205 CD1 LEU A 14 2.797 3.563 -2.865 1.00 31.33 C ATOM 206 CD2 LEU A 14 3.092 1.852 -4.663 1.00 53.34 C ATOM 0 H LEU A 14 -1.150 4.047 -5.445 1.00 24.05 H new ATOM 0 HA LEU A 14 0.704 5.183 -3.598 1.00 13.34 H new ATOM 0 HB2 LEU A 14 0.536 2.772 -4.163 1.00 65.22 H new ATOM 0 HB3 LEU A 14 1.050 3.120 -5.802 1.00 65.22 H new ATOM 0 HG LEU A 14 3.224 3.965 -4.912 1.00 42.21 H new ATOM 0 HD11 LEU A 14 3.843 3.428 -2.591 1.00 31.33 H new ATOM 0 HD12 LEU A 14 2.499 4.593 -2.666 1.00 31.33 H new ATOM 0 HD13 LEU A 14 2.178 2.886 -2.277 1.00 31.33 H new ATOM 0 HD21 LEU A 14 4.133 1.742 -4.358 1.00 53.34 H new ATOM 0 HD22 LEU A 14 2.478 1.130 -4.125 1.00 53.34 H new ATOM 0 HD23 LEU A 14 3.007 1.673 -5.735 1.00 53.34 H new ATOM 218 N GLY A 15 0.860 6.088 -6.707 1.00 73.12 N ATOM 219 CA GLY A 15 1.496 7.003 -7.636 1.00 53.51 C ATOM 220 C GLY A 15 1.445 8.444 -7.162 1.00 63.13 C ATOM 221 O GLY A 15 2.112 9.316 -7.722 1.00 42.44 O ATOM 0 H GLY A 15 -0.014 5.683 -7.043 1.00 73.12 H new ATOM 0 HA2 GLY A 15 2.536 6.707 -7.777 1.00 53.51 H new ATOM 0 HA3 GLY A 15 1.008 6.926 -8.608 1.00 53.51 H new ATOM 225 N LYS A 16 0.646 8.703 -6.134 1.00 23.22 N ATOM 226 CA LYS A 16 0.579 10.033 -5.540 1.00 14.32 C ATOM 227 C LYS A 16 1.798 10.270 -4.661 1.00 0.34 C ATOM 228 O LYS A 16 2.084 11.397 -4.252 1.00 43.31 O ATOM 229 CB LYS A 16 -0.687 10.197 -4.701 1.00 41.20 C ATOM 230 CG LYS A 16 -1.973 9.893 -5.452 1.00 50.13 C ATOM 231 CD LYS A 16 -3.194 10.369 -4.678 1.00 32.55 C ATOM 232 CE LYS A 16 -3.246 9.786 -3.274 1.00 61.22 C ATOM 233 NZ LYS A 16 -4.376 10.347 -2.490 1.00 62.41 N ATOM 0 H LYS A 16 0.037 8.012 -5.695 1.00 23.22 H new ATOM 0 HA LYS A 16 0.558 10.763 -6.349 1.00 14.32 H new ATOM 0 HB2 LYS A 16 -0.622 9.541 -3.833 1.00 41.20 H new ATOM 0 HB3 LYS A 16 -0.731 11.219 -4.325 1.00 41.20 H new ATOM 0 HG2 LYS A 16 -1.949 10.376 -6.429 1.00 50.13 H new ATOM 0 HG3 LYS A 16 -2.048 8.820 -5.629 1.00 50.13 H new ATOM 0 HD2 LYS A 16 -3.183 11.457 -4.618 1.00 32.55 H new ATOM 0 HD3 LYS A 16 -4.098 10.089 -5.220 1.00 32.55 H new ATOM 0 HE2 LYS A 16 -3.346 8.702 -3.333 1.00 61.22 H new ATOM 0 HE3 LYS A 16 -2.308 9.992 -2.759 1.00 61.22 H new ATOM 0 HZ1 LYS A 16 -4.381 9.927 -1.538 1.00 62.41 H new ATOM 0 HZ2 LYS A 16 -4.267 11.378 -2.413 1.00 62.41 H new ATOM 0 HZ3 LYS A 16 -5.273 10.129 -2.969 1.00 62.41 H new ATOM 247 N VAL A 17 2.506 9.191 -4.373 1.00 71.52 N ATOM 248 CA VAL A 17 3.704 9.248 -3.562 1.00 51.21 C ATOM 249 C VAL A 17 4.940 9.266 -4.456 1.00 64.15 C ATOM 250 O VAL A 17 5.110 8.391 -5.309 1.00 61.24 O ATOM 251 CB VAL A 17 3.774 8.045 -2.598 1.00 43.50 C ATOM 252 CG1 VAL A 17 5.049 8.083 -1.771 1.00 11.30 C ATOM 253 CG2 VAL A 17 2.549 8.014 -1.695 1.00 1.25 C ATOM 0 H VAL A 17 2.265 8.254 -4.695 1.00 71.52 H new ATOM 0 HA VAL A 17 3.672 10.163 -2.971 1.00 51.21 H new ATOM 0 HB VAL A 17 3.787 7.133 -3.194 1.00 43.50 H new ATOM 0 HG11 VAL A 17 5.073 7.224 -1.100 1.00 11.30 H new ATOM 0 HG12 VAL A 17 5.914 8.050 -2.434 1.00 11.30 H new ATOM 0 HG13 VAL A 17 5.076 9.002 -1.185 1.00 11.30 H new ATOM 0 HG21 VAL A 17 2.615 7.159 -1.022 1.00 1.25 H new ATOM 0 HG22 VAL A 17 2.504 8.933 -1.111 1.00 1.25 H new ATOM 0 HG23 VAL A 17 1.650 7.927 -2.305 1.00 1.25 H new ATOM 263 N PRO A 18 5.803 10.283 -4.294 1.00 11.44 N ATOM 264 CA PRO A 18 7.035 10.420 -5.082 1.00 63.14 C ATOM 265 C PRO A 18 7.931 9.197 -4.972 1.00 44.04 C ATOM 266 O PRO A 18 8.061 8.606 -3.902 1.00 21.10 O ATOM 267 CB PRO A 18 7.722 11.646 -4.472 1.00 70.25 C ATOM 268 CG PRO A 18 6.626 12.412 -3.818 1.00 51.21 C ATOM 269 CD PRO A 18 5.642 11.389 -3.333 1.00 33.22 C ATOM 0 HA PRO A 18 6.825 10.523 -6.146 1.00 63.14 H new ATOM 0 HB2 PRO A 18 8.485 11.353 -3.751 1.00 70.25 H new ATOM 0 HB3 PRO A 18 8.219 12.242 -5.237 1.00 70.25 H new ATOM 0 HG2 PRO A 18 7.007 13.010 -2.990 1.00 51.21 H new ATOM 0 HG3 PRO A 18 6.158 13.102 -4.521 1.00 51.21 H new ATOM 0 HD2 PRO A 18 5.861 11.071 -2.314 1.00 33.22 H new ATOM 0 HD3 PRO A 18 4.624 11.778 -3.334 1.00 33.22 H new ATOM 277 N PHE A 19 8.567 8.851 -6.083 1.00 61.23 N ATOM 278 CA PHE A 19 9.337 7.620 -6.200 1.00 61.03 C ATOM 279 C PHE A 19 10.433 7.534 -5.140 1.00 35.33 C ATOM 280 O PHE A 19 10.785 6.441 -4.696 1.00 72.43 O ATOM 281 CB PHE A 19 9.947 7.528 -7.597 1.00 73.51 C ATOM 282 CG PHE A 19 10.299 6.131 -7.996 1.00 0.42 C ATOM 283 CD1 PHE A 19 9.308 5.173 -8.090 1.00 23.42 C ATOM 284 CD2 PHE A 19 11.605 5.776 -8.278 1.00 72.33 C ATOM 285 CE1 PHE A 19 9.610 3.878 -8.461 1.00 52.10 C ATOM 286 CE2 PHE A 19 11.919 4.481 -8.651 1.00 30.15 C ATOM 287 CZ PHE A 19 10.918 3.531 -8.742 1.00 53.23 C ATOM 0 H PHE A 19 8.563 9.418 -6.931 1.00 61.23 H new ATOM 0 HA PHE A 19 8.660 6.781 -6.038 1.00 61.03 H new ATOM 0 HB2 PHE A 19 9.244 7.939 -8.321 1.00 73.51 H new ATOM 0 HB3 PHE A 19 10.843 8.147 -7.636 1.00 73.51 H new ATOM 0 HD1 PHE A 19 8.285 5.440 -7.871 1.00 23.42 H new ATOM 0 HD2 PHE A 19 12.388 6.517 -8.206 1.00 72.33 H new ATOM 0 HE1 PHE A 19 8.826 3.138 -8.531 1.00 52.10 H new ATOM 0 HE2 PHE A 19 12.942 4.213 -8.870 1.00 30.15 H new ATOM 0 HZ PHE A 19 11.158 2.519 -9.032 1.00 53.23 H new ATOM 297 N PHE A 20 10.945 8.691 -4.723 1.00 24.51 N ATOM 298 CA PHE A 20 12.007 8.752 -3.721 1.00 42.41 C ATOM 299 C PHE A 20 11.598 8.031 -2.439 1.00 32.11 C ATOM 300 O PHE A 20 12.388 7.294 -1.850 1.00 45.10 O ATOM 301 CB PHE A 20 12.352 10.206 -3.383 1.00 21.20 C ATOM 302 CG PHE A 20 12.734 11.043 -4.570 1.00 13.50 C ATOM 303 CD1 PHE A 20 13.946 10.848 -5.213 1.00 64.01 C ATOM 304 CD2 PHE A 20 11.882 12.029 -5.038 1.00 23.23 C ATOM 305 CE1 PHE A 20 14.298 11.621 -6.305 1.00 40.31 C ATOM 306 CE2 PHE A 20 12.230 12.806 -6.127 1.00 13.35 C ATOM 307 CZ PHE A 20 13.440 12.602 -6.760 1.00 11.42 C ATOM 0 H PHE A 20 10.640 9.602 -5.065 1.00 24.51 H new ATOM 0 HA PHE A 20 12.881 8.258 -4.146 1.00 42.41 H new ATOM 0 HB2 PHE A 20 11.495 10.665 -2.890 1.00 21.20 H new ATOM 0 HB3 PHE A 20 13.174 10.215 -2.667 1.00 21.20 H new ATOM 0 HD1 PHE A 20 14.623 10.085 -4.858 1.00 64.01 H new ATOM 0 HD2 PHE A 20 10.934 12.193 -4.546 1.00 23.23 H new ATOM 0 HE1 PHE A 20 15.243 11.457 -6.801 1.00 40.31 H new ATOM 0 HE2 PHE A 20 11.556 13.572 -6.482 1.00 13.35 H new ATOM 0 HZ PHE A 20 13.715 13.209 -7.610 1.00 11.42 H new ATOM 317 N VAL A 21 10.357 8.241 -2.017 1.00 13.14 N ATOM 318 CA VAL A 21 9.877 7.678 -0.764 1.00 34.35 C ATOM 319 C VAL A 21 8.806 6.620 -1.006 1.00 5.24 C ATOM 320 O VAL A 21 8.332 5.981 -0.066 1.00 15.44 O ATOM 321 CB VAL A 21 9.318 8.777 0.165 1.00 1.54 C ATOM 322 CG1 VAL A 21 10.406 9.780 0.516 1.00 41.12 C ATOM 323 CG2 VAL A 21 8.131 9.479 -0.480 1.00 52.40 C ATOM 0 H VAL A 21 9.667 8.796 -2.524 1.00 13.14 H new ATOM 0 HA VAL A 21 10.731 7.207 -0.278 1.00 34.35 H new ATOM 0 HB VAL A 21 8.973 8.304 1.085 1.00 1.54 H new ATOM 0 HG11 VAL A 21 9.995 10.548 1.171 1.00 41.12 H new ATOM 0 HG12 VAL A 21 11.223 9.268 1.025 1.00 41.12 H new ATOM 0 HG13 VAL A 21 10.781 10.244 -0.396 1.00 41.12 H new ATOM 0 HG21 VAL A 21 7.754 10.249 0.193 1.00 52.40 H new ATOM 0 HG22 VAL A 21 8.445 9.938 -1.417 1.00 52.40 H new ATOM 0 HG23 VAL A 21 7.343 8.753 -0.678 1.00 52.40 H new ATOM 333 N ARG A 22 8.444 6.429 -2.271 1.00 44.41 N ATOM 334 CA ARG A 22 7.410 5.465 -2.641 1.00 3.12 C ATOM 335 C ARG A 22 7.802 4.063 -2.197 1.00 73.12 C ATOM 336 O ARG A 22 6.957 3.274 -1.779 1.00 44.41 O ATOM 337 CB ARG A 22 7.168 5.489 -4.154 1.00 41.54 C ATOM 338 CG ARG A 22 5.995 4.629 -4.599 1.00 34.54 C ATOM 339 CD ARG A 22 5.815 4.660 -6.109 1.00 23.01 C ATOM 340 NE ARG A 22 5.592 6.014 -6.610 1.00 1.02 N ATOM 341 CZ ARG A 22 5.731 6.369 -7.887 1.00 21.35 C ATOM 342 NH1 ARG A 22 6.033 5.461 -8.807 1.00 71.45 N ATOM 343 NH2 ARG A 22 5.544 7.633 -8.244 1.00 4.05 N ATOM 0 H ARG A 22 8.852 6.930 -3.060 1.00 44.41 H new ATOM 0 HA ARG A 22 6.486 5.746 -2.135 1.00 3.12 H new ATOM 0 HB2 ARG A 22 6.993 6.518 -4.469 1.00 41.54 H new ATOM 0 HB3 ARG A 22 8.070 5.149 -4.663 1.00 41.54 H new ATOM 0 HG2 ARG A 22 6.153 3.601 -4.272 1.00 34.54 H new ATOM 0 HG3 ARG A 22 5.083 4.980 -4.117 1.00 34.54 H new ATOM 0 HD2 ARG A 22 6.699 4.238 -6.587 1.00 23.01 H new ATOM 0 HD3 ARG A 22 4.971 4.028 -6.386 1.00 23.01 H new ATOM 0 HE ARG A 22 5.313 6.732 -5.941 1.00 1.02 H new ATOM 0 HH11 ARG A 22 6.160 4.485 -8.538 1.00 71.45 H new ATOM 0 HH12 ARG A 22 6.138 5.739 -9.783 1.00 71.45 H new ATOM 0 HH21 ARG A 22 5.295 8.330 -7.542 1.00 4.05 H new ATOM 0 HH22 ARG A 22 5.650 7.908 -9.221 1.00 4.05 H new ATOM 357 N LYS A 23 9.092 3.764 -2.289 1.00 72.14 N ATOM 358 CA LYS A 23 9.617 2.475 -1.858 1.00 42.21 C ATOM 359 C LYS A 23 9.342 2.250 -0.374 1.00 30.42 C ATOM 360 O LYS A 23 8.954 1.160 0.036 1.00 42.20 O ATOM 361 CB LYS A 23 11.122 2.401 -2.113 1.00 43.12 C ATOM 362 CG LYS A 23 11.510 2.519 -3.575 1.00 64.02 C ATOM 363 CD LYS A 23 10.997 1.341 -4.388 1.00 63.52 C ATOM 364 CE LYS A 23 11.477 1.413 -5.828 1.00 30.01 C ATOM 365 NZ LYS A 23 12.960 1.411 -5.918 1.00 55.43 N ATOM 0 H LYS A 23 9.797 4.401 -2.660 1.00 72.14 H new ATOM 0 HA LYS A 23 9.115 1.697 -2.434 1.00 42.21 H new ATOM 0 HB2 LYS A 23 11.614 3.196 -1.553 1.00 43.12 H new ATOM 0 HB3 LYS A 23 11.499 1.456 -1.723 1.00 43.12 H new ATOM 0 HG2 LYS A 23 11.109 3.446 -3.984 1.00 64.02 H new ATOM 0 HG3 LYS A 23 12.595 2.576 -3.660 1.00 64.02 H new ATOM 0 HD2 LYS A 23 11.336 0.409 -3.936 1.00 63.52 H new ATOM 0 HD3 LYS A 23 9.907 1.328 -4.366 1.00 63.52 H new ATOM 0 HE2 LYS A 23 11.078 0.566 -6.386 1.00 30.01 H new ATOM 0 HE3 LYS A 23 11.086 2.316 -6.296 1.00 30.01 H new ATOM 0 HZ1 LYS A 23 13.249 1.173 -6.888 1.00 55.43 H new ATOM 0 HZ2 LYS A 23 13.324 2.353 -5.670 1.00 55.43 H new ATOM 0 HZ3 LYS A 23 13.347 0.706 -5.259 1.00 55.43 H new ATOM 379 N LYS A 24 9.527 3.298 0.417 1.00 21.43 N ATOM 380 CA LYS A 24 9.346 3.207 1.859 1.00 5.03 C ATOM 381 C LYS A 24 7.871 3.099 2.218 1.00 45.14 C ATOM 382 O LYS A 24 7.505 2.358 3.126 1.00 64.23 O ATOM 383 CB LYS A 24 9.986 4.408 2.554 1.00 73.45 C ATOM 384 CG LYS A 24 11.499 4.430 2.421 1.00 54.44 C ATOM 385 CD LYS A 24 12.112 5.642 3.100 1.00 13.33 C ATOM 386 CE LYS A 24 13.626 5.641 2.956 1.00 62.25 C ATOM 387 NZ LYS A 24 14.250 6.816 3.613 1.00 73.33 N ATOM 0 H LYS A 24 9.803 4.222 0.084 1.00 21.43 H new ATOM 0 HA LYS A 24 9.842 2.301 2.208 1.00 5.03 H new ATOM 0 HB2 LYS A 24 9.576 5.326 2.133 1.00 73.45 H new ATOM 0 HB3 LYS A 24 9.719 4.395 3.611 1.00 73.45 H new ATOM 0 HG2 LYS A 24 11.915 3.521 2.857 1.00 54.44 H new ATOM 0 HG3 LYS A 24 11.770 4.430 1.365 1.00 54.44 H new ATOM 0 HD2 LYS A 24 11.702 6.553 2.664 1.00 13.33 H new ATOM 0 HD3 LYS A 24 11.844 5.646 4.156 1.00 13.33 H new ATOM 0 HE2 LYS A 24 14.030 4.726 3.390 1.00 62.25 H new ATOM 0 HE3 LYS A 24 13.889 5.635 1.898 1.00 62.25 H new ATOM 0 HZ1 LYS A 24 15.282 6.775 3.490 1.00 73.33 H new ATOM 0 HZ2 LYS A 24 13.885 7.689 3.182 1.00 73.33 H new ATOM 0 HZ3 LYS A 24 14.021 6.808 4.628 1.00 73.33 H new ATOM 401 N VAL A 25 7.028 3.828 1.497 1.00 40.11 N ATOM 402 CA VAL A 25 5.586 3.732 1.692 1.00 35.34 C ATOM 403 C VAL A 25 5.107 2.335 1.311 1.00 53.11 C ATOM 404 O VAL A 25 4.304 1.726 2.016 1.00 64.33 O ATOM 405 CB VAL A 25 4.826 4.794 0.867 1.00 51.25 C ATOM 406 CG1 VAL A 25 3.321 4.653 1.050 1.00 33.30 C ATOM 407 CG2 VAL A 25 5.285 6.192 1.255 1.00 50.11 C ATOM 0 H VAL A 25 7.316 4.489 0.775 1.00 40.11 H new ATOM 0 HA VAL A 25 5.376 3.919 2.745 1.00 35.34 H new ATOM 0 HB VAL A 25 5.052 4.633 -0.187 1.00 51.25 H new ATOM 0 HG11 VAL A 25 2.810 5.413 0.459 1.00 33.30 H new ATOM 0 HG12 VAL A 25 3.006 3.663 0.720 1.00 33.30 H new ATOM 0 HG13 VAL A 25 3.069 4.782 2.103 1.00 33.30 H new ATOM 0 HG21 VAL A 25 4.741 6.930 0.666 1.00 50.11 H new ATOM 0 HG22 VAL A 25 5.090 6.358 2.314 1.00 50.11 H new ATOM 0 HG23 VAL A 25 6.353 6.290 1.063 1.00 50.11 H new ATOM 417 N ARG A 26 5.638 1.826 0.206 1.00 73.32 N ATOM 418 CA ARG A 26 5.354 0.470 -0.247 1.00 41.25 C ATOM 419 C ARG A 26 5.807 -0.547 0.803 1.00 51.12 C ATOM 420 O ARG A 26 5.133 -1.548 1.049 1.00 51.12 O ATOM 421 CB ARG A 26 6.064 0.227 -1.583 1.00 41.10 C ATOM 422 CG ARG A 26 5.852 -1.151 -2.183 1.00 50.24 C ATOM 423 CD ARG A 26 6.554 -1.254 -3.527 1.00 13.04 C ATOM 424 NE ARG A 26 6.486 -2.595 -4.103 1.00 51.42 N ATOM 425 CZ ARG A 26 6.909 -2.893 -5.333 1.00 41.21 C ATOM 426 NH1 ARG A 26 7.394 -1.941 -6.124 1.00 3.13 N ATOM 427 NH2 ARG A 26 6.845 -4.139 -5.780 1.00 72.31 N ATOM 0 H ARG A 26 6.277 2.341 -0.400 1.00 73.32 H new ATOM 0 HA ARG A 26 4.280 0.349 -0.388 1.00 41.25 H new ATOM 0 HB2 ARG A 26 5.723 0.975 -2.299 1.00 41.10 H new ATOM 0 HB3 ARG A 26 7.133 0.385 -1.442 1.00 41.10 H new ATOM 0 HG2 ARG A 26 6.236 -1.913 -1.505 1.00 50.24 H new ATOM 0 HG3 ARG A 26 4.786 -1.342 -2.306 1.00 50.24 H new ATOM 0 HD2 ARG A 26 6.106 -0.543 -4.221 1.00 13.04 H new ATOM 0 HD3 ARG A 26 7.599 -0.968 -3.408 1.00 13.04 H new ATOM 0 HE ARG A 26 6.094 -3.345 -3.534 1.00 51.42 H new ATOM 0 HH11 ARG A 26 7.444 -0.978 -5.791 1.00 3.13 H new ATOM 0 HH12 ARG A 26 7.716 -2.174 -7.063 1.00 3.13 H new ATOM 0 HH21 ARG A 26 6.471 -4.876 -5.183 1.00 72.31 H new ATOM 0 HH22 ARG A 26 7.170 -4.360 -6.721 1.00 72.31 H new ATOM 441 N LYS A 27 6.942 -0.266 1.428 1.00 5.21 N ATOM 442 CA LYS A 27 7.458 -1.096 2.509 1.00 75.10 C ATOM 443 C LYS A 27 6.548 -1.012 3.736 1.00 63.22 C ATOM 444 O LYS A 27 6.355 -1.997 4.450 1.00 43.42 O ATOM 445 CB LYS A 27 8.874 -0.650 2.875 1.00 2.13 C ATOM 446 CG LYS A 27 9.490 -1.433 4.020 1.00 75.52 C ATOM 447 CD LYS A 27 10.886 -0.930 4.345 1.00 11.35 C ATOM 448 CE LYS A 27 11.479 -1.658 5.538 1.00 42.42 C ATOM 449 NZ LYS A 27 12.861 -1.200 5.837 1.00 40.44 N ATOM 0 H LYS A 27 7.528 0.538 1.203 1.00 5.21 H new ATOM 0 HA LYS A 27 7.484 -2.132 2.170 1.00 75.10 H new ATOM 0 HB2 LYS A 27 9.513 -0.746 1.997 1.00 2.13 H new ATOM 0 HB3 LYS A 27 8.854 0.407 3.140 1.00 2.13 H new ATOM 0 HG2 LYS A 27 8.856 -1.349 4.903 1.00 75.52 H new ATOM 0 HG3 LYS A 27 9.534 -2.490 3.758 1.00 75.52 H new ATOM 0 HD2 LYS A 27 11.533 -1.064 3.478 1.00 11.35 H new ATOM 0 HD3 LYS A 27 10.849 0.139 4.552 1.00 11.35 H new ATOM 0 HE2 LYS A 27 10.847 -1.498 6.411 1.00 42.42 H new ATOM 0 HE3 LYS A 27 11.487 -2.730 5.342 1.00 42.42 H new ATOM 0 HZ1 LYS A 27 13.230 -1.721 6.658 1.00 40.44 H new ATOM 0 HZ2 LYS A 27 13.471 -1.376 5.013 1.00 40.44 H new ATOM 0 HZ3 LYS A 27 12.851 -0.182 6.050 1.00 40.44 H new ATOM 463 N ASN A 28 5.993 0.170 3.981 1.00 53.32 N ATOM 464 CA ASN A 28 5.067 0.358 5.094 1.00 62.23 C ATOM 465 C ASN A 28 3.785 -0.431 4.862 1.00 33.22 C ATOM 466 O ASN A 28 3.274 -1.074 5.776 1.00 21.24 O ATOM 467 CB ASN A 28 4.746 1.842 5.312 1.00 25.53 C ATOM 468 CG ASN A 28 5.807 2.572 6.123 1.00 72.23 C ATOM 469 OD1 ASN A 28 7.059 2.162 5.990 1.00 4.51 O flip ATOM 470 ND2 ASN A 28 5.499 3.511 6.858 1.00 10.54 N flip ATOM 0 H ASN A 28 6.166 1.009 3.428 1.00 53.32 H new ATOM 0 HA ASN A 28 5.553 -0.016 5.995 1.00 62.23 H new ATOM 0 HB2 ASN A 28 4.639 2.330 4.343 1.00 25.53 H new ATOM 0 HB3 ASN A 28 3.786 1.929 5.821 1.00 25.53 H new ATOM 0 HD21 ASN A 28 4.524 3.799 6.936 1.00 10.54 H new ATOM 0 HD22 ASN A 28 6.219 4.000 7.389 1.00 10.54 H new ATOM 477 N THR A 29 3.275 -0.397 3.635 1.00 4.03 N ATOM 478 CA THR A 29 2.104 -1.188 3.284 1.00 73.33 C ATOM 479 C THR A 29 2.419 -2.675 3.320 1.00 63.31 C ATOM 480 O THR A 29 1.568 -3.484 3.682 1.00 33.44 O ATOM 481 CB THR A 29 1.565 -0.827 1.895 1.00 43.45 C ATOM 482 OG1 THR A 29 2.647 -0.500 1.018 1.00 14.22 O ATOM 483 CG2 THR A 29 0.587 0.332 1.964 1.00 73.53 C ATOM 0 H THR A 29 3.652 0.166 2.873 1.00 4.03 H new ATOM 0 HA THR A 29 1.340 -0.957 4.026 1.00 73.33 H new ATOM 0 HB THR A 29 1.033 -1.695 1.506 1.00 43.45 H new ATOM 0 HG1 THR A 29 3.379 -1.138 1.150 1.00 14.22 H new ATOM 0 HG21 THR A 29 0.224 0.562 0.962 1.00 73.53 H new ATOM 0 HG22 THR A 29 -0.255 0.060 2.601 1.00 73.53 H new ATOM 0 HG23 THR A 29 1.088 1.207 2.378 1.00 73.53 H new ATOM 491 N ASP A 30 3.643 -3.026 2.939 1.00 34.34 N ATOM 492 CA ASP A 30 4.118 -4.406 3.027 1.00 42.22 C ATOM 493 C ASP A 30 3.966 -4.914 4.456 1.00 15.00 C ATOM 494 O ASP A 30 3.453 -6.008 4.700 1.00 5.55 O ATOM 495 CB ASP A 30 5.585 -4.479 2.577 1.00 64.14 C ATOM 496 CG ASP A 30 6.244 -5.815 2.866 1.00 15.13 C ATOM 497 OD1 ASP A 30 5.587 -6.855 2.688 1.00 4.32 O ATOM 498 OD2 ASP A 30 7.436 -5.824 3.252 1.00 33.04 O ATOM 0 H ASP A 30 4.329 -2.371 2.564 1.00 34.34 H new ATOM 0 HA ASP A 30 3.522 -5.039 2.370 1.00 42.22 H new ATOM 0 HB2 ASP A 30 5.638 -4.281 1.506 1.00 64.14 H new ATOM 0 HB3 ASP A 30 6.149 -3.690 3.075 1.00 64.14 H new ATOM 503 N ASN A 31 4.375 -4.081 5.399 1.00 72.55 N ATOM 504 CA ASN A 31 4.252 -4.406 6.810 1.00 1.42 C ATOM 505 C ASN A 31 2.802 -4.324 7.273 1.00 23.04 C ATOM 506 O ASN A 31 2.396 -5.073 8.159 1.00 53.12 O ATOM 507 CB ASN A 31 5.129 -3.481 7.658 1.00 55.41 C ATOM 508 CG ASN A 31 6.590 -3.886 7.637 1.00 50.20 C ATOM 509 OD1 ASN A 31 7.045 -4.654 8.487 1.00 54.33 O ATOM 510 ND2 ASN A 31 7.338 -3.381 6.668 1.00 53.43 N ATOM 0 H ASN A 31 4.797 -3.171 5.211 1.00 72.55 H new ATOM 0 HA ASN A 31 4.594 -5.433 6.942 1.00 1.42 H new ATOM 0 HB2 ASN A 31 5.033 -2.459 7.292 1.00 55.41 H new ATOM 0 HB3 ASN A 31 4.769 -3.486 8.687 1.00 55.41 H new ATOM 0 HD21 ASN A 31 8.327 -3.625 6.607 1.00 53.43 H new ATOM 0 HD22 ASN A 31 6.926 -2.748 5.982 1.00 53.43 H new ATOM 517 N TYR A 32 2.018 -3.428 6.672 1.00 62.22 N ATOM 518 CA TYR A 32 0.622 -3.257 7.070 1.00 63.24 C ATOM 519 C TYR A 32 -0.229 -4.426 6.590 1.00 11.22 C ATOM 520 O TYR A 32 -1.048 -4.959 7.339 1.00 22.24 O ATOM 521 CB TYR A 32 0.043 -1.944 6.536 1.00 42.12 C ATOM 522 CG TYR A 32 -1.420 -1.768 6.879 1.00 61.30 C ATOM 523 CD1 TYR A 32 -1.817 -1.515 8.186 1.00 23.04 C ATOM 524 CD2 TYR A 32 -2.407 -1.871 5.905 1.00 12.34 C ATOM 525 CE1 TYR A 32 -3.151 -1.374 8.513 1.00 33.31 C ATOM 526 CE2 TYR A 32 -3.744 -1.726 6.224 1.00 73.51 C ATOM 527 CZ TYR A 32 -4.111 -1.478 7.530 1.00 21.41 C ATOM 528 OH TYR A 32 -5.443 -1.345 7.860 1.00 11.35 O ATOM 0 H TYR A 32 2.323 -2.816 5.915 1.00 62.22 H new ATOM 0 HA TYR A 32 0.601 -3.226 8.159 1.00 63.24 H new ATOM 0 HB2 TYR A 32 0.611 -1.108 6.945 1.00 42.12 H new ATOM 0 HB3 TYR A 32 0.164 -1.912 5.453 1.00 42.12 H new ATOM 0 HD1 TYR A 32 -1.069 -1.427 8.960 1.00 23.04 H new ATOM 0 HD2 TYR A 32 -2.124 -2.068 4.881 1.00 12.34 H new ATOM 0 HE1 TYR A 32 -3.441 -1.183 9.536 1.00 33.31 H new ATOM 0 HE2 TYR A 32 -4.497 -1.807 5.454 1.00 73.51 H new ATOM 0 HH TYR A 32 -5.531 -0.746 8.630 1.00 11.35 H new ATOM 538 N ALA A 33 -0.037 -4.820 5.341 1.00 43.30 N ATOM 539 CA ALA A 33 -0.774 -5.934 4.771 1.00 14.41 C ATOM 540 C ALA A 33 -0.464 -7.211 5.533 1.00 34.22 C ATOM 541 O ALA A 33 -1.353 -8.004 5.837 1.00 21.10 O ATOM 542 CB ALA A 33 -0.446 -6.084 3.297 1.00 61.21 C ATOM 0 H ALA A 33 0.626 -4.382 4.701 1.00 43.30 H new ATOM 0 HA ALA A 33 -1.842 -5.735 4.860 1.00 14.41 H new ATOM 0 HB1 ALA A 33 -1.006 -6.923 2.883 1.00 61.21 H new ATOM 0 HB2 ALA A 33 -0.718 -5.170 2.769 1.00 61.21 H new ATOM 0 HB3 ALA A 33 0.622 -6.267 3.179 1.00 61.21 H new ATOM 548 N ARG A 34 0.804 -7.383 5.877 1.00 1.24 N ATOM 549 CA ARG A 34 1.232 -8.524 6.671 1.00 62.32 C ATOM 550 C ARG A 34 0.751 -8.404 8.110 1.00 72.11 C ATOM 551 O ARG A 34 0.620 -9.402 8.814 1.00 55.34 O ATOM 552 CB ARG A 34 2.751 -8.658 6.620 1.00 30.11 C ATOM 553 CG ARG A 34 3.213 -9.611 5.539 1.00 15.31 C ATOM 554 CD ARG A 34 4.711 -9.527 5.297 1.00 63.52 C ATOM 555 NE ARG A 34 5.189 -10.671 4.520 1.00 63.31 N ATOM 556 CZ ARG A 34 5.714 -10.592 3.295 1.00 72.00 C ATOM 557 NH1 ARG A 34 5.862 -9.421 2.694 1.00 13.15 N ATOM 558 NH2 ARG A 34 6.090 -11.697 2.668 1.00 32.25 N ATOM 0 H ARG A 34 1.556 -6.745 5.617 1.00 1.24 H new ATOM 0 HA ARG A 34 0.785 -9.423 6.247 1.00 62.32 H new ATOM 0 HB2 ARG A 34 3.193 -7.677 6.448 1.00 30.11 H new ATOM 0 HB3 ARG A 34 3.114 -9.007 7.587 1.00 30.11 H new ATOM 0 HG2 ARG A 34 2.949 -10.631 5.820 1.00 15.31 H new ATOM 0 HG3 ARG A 34 2.685 -9.389 4.612 1.00 15.31 H new ATOM 0 HD2 ARG A 34 4.945 -8.603 4.769 1.00 63.52 H new ATOM 0 HD3 ARG A 34 5.234 -9.489 6.252 1.00 63.52 H new ATOM 0 HE ARG A 34 5.116 -11.595 4.945 1.00 63.31 H new ATOM 0 HH11 ARG A 34 5.573 -8.565 3.167 1.00 13.15 H new ATOM 0 HH12 ARG A 34 6.265 -9.375 1.758 1.00 13.15 H new ATOM 0 HH21 ARG A 34 5.978 -12.604 3.121 1.00 32.25 H new ATOM 0 HH22 ARG A 34 6.491 -11.641 1.732 1.00 32.25 H new ATOM 572 N GLU A 35 0.475 -7.178 8.534 1.00 34.42 N ATOM 573 CA GLU A 35 -0.034 -6.935 9.872 1.00 30.24 C ATOM 574 C GLU A 35 -1.476 -7.424 9.982 1.00 75.20 C ATOM 575 O GLU A 35 -1.876 -7.994 11.000 1.00 2.15 O ATOM 576 CB GLU A 35 0.049 -5.440 10.205 1.00 15.11 C ATOM 577 CG GLU A 35 -0.438 -5.075 11.599 1.00 65.35 C ATOM 578 CD GLU A 35 -0.418 -3.578 11.844 1.00 1.12 C ATOM 579 OE1 GLU A 35 0.674 -3.026 12.095 1.00 20.51 O ATOM 580 OE2 GLU A 35 -1.493 -2.944 11.795 1.00 12.50 O ATOM 0 H GLU A 35 0.596 -6.338 7.969 1.00 34.42 H new ATOM 0 HA GLU A 35 0.577 -7.486 10.587 1.00 30.24 H new ATOM 0 HB2 GLU A 35 1.084 -5.114 10.099 1.00 15.11 H new ATOM 0 HB3 GLU A 35 -0.537 -4.885 9.473 1.00 15.11 H new ATOM 0 HG2 GLU A 35 -1.452 -5.450 11.736 1.00 65.35 H new ATOM 0 HG3 GLU A 35 0.188 -5.570 12.341 1.00 65.35 H new ATOM 587 N ILE A 36 -2.246 -7.202 8.923 1.00 34.22 N ATOM 588 CA ILE A 36 -3.645 -7.613 8.892 1.00 20.22 C ATOM 589 C ILE A 36 -3.805 -9.013 8.299 1.00 44.33 C ATOM 590 O ILE A 36 -4.906 -9.564 8.272 1.00 50.55 O ATOM 591 CB ILE A 36 -4.519 -6.611 8.103 1.00 20.50 C ATOM 592 CG1 ILE A 36 -4.008 -6.454 6.666 1.00 50.43 C ATOM 593 CG2 ILE A 36 -4.540 -5.266 8.813 1.00 65.40 C ATOM 594 CD1 ILE A 36 -4.837 -5.507 5.819 1.00 42.34 C ATOM 0 H ILE A 36 -1.925 -6.739 8.073 1.00 34.22 H new ATOM 0 HA ILE A 36 -3.986 -7.630 9.927 1.00 20.22 H new ATOM 0 HB ILE A 36 -5.536 -7.000 8.057 1.00 20.50 H new ATOM 0 HG12 ILE A 36 -2.979 -6.095 6.694 1.00 50.43 H new ATOM 0 HG13 ILE A 36 -3.991 -7.433 6.188 1.00 50.43 H new ATOM 0 HG21 ILE A 36 -5.158 -4.567 8.250 1.00 65.40 H new ATOM 0 HG22 ILE A 36 -4.952 -5.390 9.814 1.00 65.40 H new ATOM 0 HG23 ILE A 36 -3.525 -4.876 8.884 1.00 65.40 H new ATOM 0 HD11 ILE A 36 -4.412 -5.449 4.817 1.00 42.34 H new ATOM 0 HD12 ILE A 36 -5.861 -5.875 5.759 1.00 42.34 H new ATOM 0 HD13 ILE A 36 -4.834 -4.516 6.272 1.00 42.34 H new ATOM 606 N GLY A 37 -2.705 -9.574 7.812 1.00 53.44 N ATOM 607 CA GLY A 37 -2.713 -10.942 7.319 1.00 63.43 C ATOM 608 C GLY A 37 -3.165 -11.063 5.873 1.00 13.02 C ATOM 609 O GLY A 37 -3.362 -12.169 5.374 1.00 61.03 O ATOM 0 H GLY A 37 -1.802 -9.104 7.749 1.00 53.44 H new ATOM 0 HA2 GLY A 37 -1.711 -11.360 7.414 1.00 63.43 H new ATOM 0 HA3 GLY A 37 -3.370 -11.543 7.948 1.00 63.43 H new ATOM 613 N GLU A 38 -3.310 -9.932 5.195 1.00 71.33 N ATOM 614 CA GLU A 38 -3.789 -9.918 3.816 1.00 50.35 C ATOM 615 C GLU A 38 -2.619 -9.781 2.844 1.00 41.22 C ATOM 616 O GLU A 38 -1.958 -8.748 2.801 1.00 40.22 O ATOM 617 CB GLU A 38 -4.785 -8.772 3.614 1.00 72.31 C ATOM 618 CG GLU A 38 -6.069 -8.928 4.418 1.00 4.24 C ATOM 619 CD GLU A 38 -6.999 -9.982 3.851 1.00 25.23 C ATOM 620 OE1 GLU A 38 -6.678 -11.185 3.940 1.00 34.21 O ATOM 621 OE2 GLU A 38 -8.064 -9.611 3.315 1.00 53.01 O ATOM 0 H GLU A 38 -3.103 -9.009 5.577 1.00 71.33 H new ATOM 0 HA GLU A 38 -4.295 -10.862 3.615 1.00 50.35 H new ATOM 0 HB2 GLU A 38 -4.306 -7.833 3.890 1.00 72.31 H new ATOM 0 HB3 GLU A 38 -5.036 -8.703 2.555 1.00 72.31 H new ATOM 0 HG2 GLU A 38 -5.818 -9.188 5.446 1.00 4.24 H new ATOM 0 HG3 GLU A 38 -6.590 -7.971 4.450 1.00 4.24 H new ATOM 628 N PRO A 39 -2.344 -10.829 2.051 1.00 23.11 N ATOM 629 CA PRO A 39 -1.226 -10.846 1.108 1.00 5.01 C ATOM 630 C PRO A 39 -1.542 -10.110 -0.194 1.00 42.30 C ATOM 631 O PRO A 39 -0.712 -10.051 -1.104 1.00 35.25 O ATOM 632 CB PRO A 39 -1.008 -12.343 0.830 1.00 44.31 C ATOM 633 CG PRO A 39 -1.999 -13.076 1.684 1.00 2.33 C ATOM 634 CD PRO A 39 -3.081 -12.092 2.016 1.00 11.42 C ATOM 0 HA PRO A 39 -0.352 -10.340 1.517 1.00 5.01 H new ATOM 0 HB2 PRO A 39 -1.161 -12.569 -0.225 1.00 44.31 H new ATOM 0 HB3 PRO A 39 0.012 -12.640 1.075 1.00 44.31 H new ATOM 0 HG2 PRO A 39 -2.406 -13.937 1.154 1.00 2.33 H new ATOM 0 HG3 PRO A 39 -1.526 -13.454 2.590 1.00 2.33 H new ATOM 0 HD2 PRO A 39 -3.869 -12.083 1.263 1.00 11.42 H new ATOM 0 HD3 PRO A 39 -3.555 -12.314 2.972 1.00 11.42 H new ATOM 642 N VAL A 40 -2.748 -9.562 -0.281 1.00 24.33 N ATOM 643 CA VAL A 40 -3.181 -8.837 -1.467 1.00 52.23 C ATOM 644 C VAL A 40 -3.511 -7.393 -1.110 1.00 75.42 C ATOM 645 O VAL A 40 -4.378 -7.132 -0.276 1.00 60.12 O ATOM 646 CB VAL A 40 -4.417 -9.498 -2.121 1.00 61.30 C ATOM 647 CG1 VAL A 40 -4.826 -8.753 -3.382 1.00 23.52 C ATOM 648 CG2 VAL A 40 -4.144 -10.963 -2.432 1.00 73.15 C ATOM 0 H VAL A 40 -3.446 -9.607 0.461 1.00 24.33 H new ATOM 0 HA VAL A 40 -2.360 -8.863 -2.183 1.00 52.23 H new ATOM 0 HB VAL A 40 -5.242 -9.446 -1.411 1.00 61.30 H new ATOM 0 HG11 VAL A 40 -5.697 -9.237 -3.824 1.00 23.52 H new ATOM 0 HG12 VAL A 40 -5.072 -7.721 -3.131 1.00 23.52 H new ATOM 0 HG13 VAL A 40 -4.002 -8.767 -4.096 1.00 23.52 H new ATOM 0 HG21 VAL A 40 -5.027 -11.408 -2.891 1.00 73.15 H new ATOM 0 HG22 VAL A 40 -3.301 -11.038 -3.118 1.00 73.15 H new ATOM 0 HG23 VAL A 40 -3.909 -11.493 -1.509 1.00 73.15 H new ATOM 658 N VAL A 41 -2.813 -6.462 -1.741 1.00 65.22 N ATOM 659 CA VAL A 41 -3.013 -5.047 -1.480 1.00 71.21 C ATOM 660 C VAL A 41 -3.964 -4.446 -2.508 1.00 73.42 C ATOM 661 O VAL A 41 -3.587 -4.178 -3.654 1.00 23.53 O ATOM 662 CB VAL A 41 -1.679 -4.267 -1.488 1.00 55.10 C ATOM 663 CG1 VAL A 41 -1.912 -2.789 -1.206 1.00 4.03 C ATOM 664 CG2 VAL A 41 -0.704 -4.854 -0.475 1.00 51.34 C ATOM 0 H VAL A 41 -2.099 -6.664 -2.441 1.00 65.22 H new ATOM 0 HA VAL A 41 -3.449 -4.960 -0.485 1.00 71.21 H new ATOM 0 HB VAL A 41 -1.242 -4.361 -2.482 1.00 55.10 H new ATOM 0 HG11 VAL A 41 -0.958 -2.262 -1.217 1.00 4.03 H new ATOM 0 HG12 VAL A 41 -2.566 -2.371 -1.971 1.00 4.03 H new ATOM 0 HG13 VAL A 41 -2.379 -2.674 -0.228 1.00 4.03 H new ATOM 0 HG21 VAL A 41 0.228 -4.289 -0.498 1.00 51.34 H new ATOM 0 HG22 VAL A 41 -1.138 -4.797 0.523 1.00 51.34 H new ATOM 0 HG23 VAL A 41 -0.503 -5.896 -0.725 1.00 51.34 H new ATOM 674 N THR A 42 -5.210 -4.276 -2.101 1.00 4.11 N ATOM 675 CA THR A 42 -6.213 -3.648 -2.940 1.00 52.45 C ATOM 676 C THR A 42 -6.313 -2.162 -2.619 1.00 44.24 C ATOM 677 O THR A 42 -5.576 -1.655 -1.766 1.00 71.44 O ATOM 678 CB THR A 42 -7.587 -4.303 -2.721 1.00 54.01 C ATOM 679 OG1 THR A 42 -7.887 -4.326 -1.317 1.00 71.24 O ATOM 680 CG2 THR A 42 -7.615 -5.716 -3.289 1.00 60.43 C ATOM 0 H THR A 42 -5.552 -4.568 -1.186 1.00 4.11 H new ATOM 0 HA THR A 42 -5.914 -3.778 -3.980 1.00 52.45 H new ATOM 0 HB THR A 42 -8.342 -3.716 -3.245 1.00 54.01 H new ATOM 0 HG1 THR A 42 -8.763 -4.742 -1.176 1.00 71.24 H new ATOM 0 HG21 THR A 42 -8.598 -6.156 -3.121 1.00 60.43 H new ATOM 0 HG22 THR A 42 -7.411 -5.682 -4.359 1.00 60.43 H new ATOM 0 HG23 THR A 42 -6.856 -6.322 -2.794 1.00 60.43 H new ATOM 688 N ALA A 43 -7.223 -1.467 -3.294 1.00 53.20 N ATOM 689 CA ALA A 43 -7.503 -0.076 -2.979 1.00 61.21 C ATOM 690 C ALA A 43 -8.021 0.036 -1.553 1.00 23.00 C ATOM 691 O ALA A 43 -7.770 1.022 -0.865 1.00 73.33 O ATOM 692 CB ALA A 43 -8.512 0.503 -3.961 1.00 43.12 C ATOM 0 H ALA A 43 -7.777 -1.846 -4.062 1.00 53.20 H new ATOM 0 HA ALA A 43 -6.580 0.497 -3.065 1.00 61.21 H new ATOM 0 HB1 ALA A 43 -8.709 1.545 -3.709 1.00 43.12 H new ATOM 0 HB2 ALA A 43 -8.110 0.444 -4.973 1.00 43.12 H new ATOM 0 HB3 ALA A 43 -9.441 -0.065 -3.906 1.00 43.12 H new ATOM 698 N ASP A 44 -8.725 -0.998 -1.110 1.00 21.21 N ATOM 699 CA ASP A 44 -9.278 -1.036 0.237 1.00 2.05 C ATOM 700 C ASP A 44 -8.161 -1.140 1.264 1.00 33.21 C ATOM 701 O ASP A 44 -8.174 -0.450 2.282 1.00 71.12 O ATOM 702 CB ASP A 44 -10.243 -2.215 0.395 1.00 55.40 C ATOM 703 CG ASP A 44 -11.394 -2.156 -0.586 1.00 75.42 C ATOM 704 OD1 ASP A 44 -12.259 -1.269 -0.440 1.00 14.52 O ATOM 705 OD2 ASP A 44 -11.432 -2.985 -1.516 1.00 43.13 O ATOM 0 H ASP A 44 -8.927 -1.827 -1.669 1.00 21.21 H new ATOM 0 HA ASP A 44 -9.830 -0.111 0.404 1.00 2.05 H new ATOM 0 HB2 ASP A 44 -9.698 -3.148 0.255 1.00 55.40 H new ATOM 0 HB3 ASP A 44 -10.636 -2.225 1.412 1.00 55.40 H new ATOM 710 N VAL A 45 -7.190 -2.002 0.988 1.00 1.11 N ATOM 711 CA VAL A 45 -6.049 -2.179 1.878 1.00 41.20 C ATOM 712 C VAL A 45 -5.219 -0.899 1.953 1.00 43.05 C ATOM 713 O VAL A 45 -4.851 -0.452 3.040 1.00 32.23 O ATOM 714 CB VAL A 45 -5.152 -3.353 1.427 1.00 14.42 C ATOM 715 CG1 VAL A 45 -3.954 -3.510 2.353 1.00 25.43 C ATOM 716 CG2 VAL A 45 -5.952 -4.643 1.370 1.00 2.54 C ATOM 0 H VAL A 45 -7.170 -2.590 0.155 1.00 1.11 H new ATOM 0 HA VAL A 45 -6.445 -2.410 2.867 1.00 41.20 H new ATOM 0 HB VAL A 45 -4.781 -3.130 0.427 1.00 14.42 H new ATOM 0 HG11 VAL A 45 -3.339 -4.343 2.014 1.00 25.43 H new ATOM 0 HG12 VAL A 45 -3.363 -2.594 2.342 1.00 25.43 H new ATOM 0 HG13 VAL A 45 -4.301 -3.705 3.368 1.00 25.43 H new ATOM 0 HG21 VAL A 45 -5.304 -5.459 1.050 1.00 2.54 H new ATOM 0 HG22 VAL A 45 -6.355 -4.865 2.358 1.00 2.54 H new ATOM 0 HG23 VAL A 45 -6.772 -4.532 0.660 1.00 2.54 H new ATOM 726 N PHE A 46 -4.941 -0.303 0.797 1.00 24.54 N ATOM 727 CA PHE A 46 -4.161 0.929 0.748 1.00 44.24 C ATOM 728 C PHE A 46 -4.930 2.065 1.420 1.00 71.31 C ATOM 729 O PHE A 46 -4.340 2.931 2.067 1.00 34.05 O ATOM 730 CB PHE A 46 -3.829 1.297 -0.701 1.00 42.21 C ATOM 731 CG PHE A 46 -2.746 2.336 -0.832 1.00 54.13 C ATOM 732 CD1 PHE A 46 -3.042 3.690 -0.778 1.00 60.54 C ATOM 733 CD2 PHE A 46 -1.426 1.952 -1.006 1.00 22.44 C ATOM 734 CE1 PHE A 46 -2.044 4.637 -0.896 1.00 75.34 C ATOM 735 CE2 PHE A 46 -0.423 2.895 -1.124 1.00 73.05 C ATOM 736 CZ PHE A 46 -0.732 4.239 -1.068 1.00 33.02 C ATOM 0 H PHE A 46 -5.242 -0.651 -0.113 1.00 24.54 H new ATOM 0 HA PHE A 46 -3.226 0.770 1.286 1.00 44.24 H new ATOM 0 HB2 PHE A 46 -3.522 0.397 -1.233 1.00 42.21 H new ATOM 0 HB3 PHE A 46 -4.732 1.664 -1.189 1.00 42.21 H new ATOM 0 HD1 PHE A 46 -4.065 4.007 -0.642 1.00 60.54 H new ATOM 0 HD2 PHE A 46 -1.178 0.902 -1.050 1.00 22.44 H new ATOM 0 HE1 PHE A 46 -2.289 5.688 -0.854 1.00 75.34 H new ATOM 0 HE2 PHE A 46 0.601 2.581 -1.260 1.00 73.05 H new ATOM 0 HZ PHE A 46 0.050 4.978 -1.158 1.00 33.02 H new ATOM 746 N ARG A 47 -6.249 2.046 1.266 1.00 51.13 N ATOM 747 CA ARG A 47 -7.116 3.028 1.906 1.00 51.51 C ATOM 748 C ARG A 47 -6.967 2.954 3.419 1.00 25.10 C ATOM 749 O ARG A 47 -6.722 3.964 4.080 1.00 10.41 O ATOM 750 CB ARG A 47 -8.575 2.773 1.530 1.00 14.12 C ATOM 751 CG ARG A 47 -9.538 3.820 2.059 1.00 64.22 C ATOM 752 CD ARG A 47 -10.981 3.369 1.912 1.00 21.33 C ATOM 753 NE ARG A 47 -11.305 2.959 0.545 1.00 51.41 N ATOM 754 CZ ARG A 47 -12.360 3.401 -0.130 1.00 50.44 C ATOM 755 NH1 ARG A 47 -13.134 4.352 0.381 1.00 24.50 N ATOM 756 NH2 ARG A 47 -12.630 2.907 -1.330 1.00 62.34 N ATOM 0 H ARG A 47 -6.744 1.357 0.700 1.00 51.13 H new ATOM 0 HA ARG A 47 -6.823 4.020 1.561 1.00 51.51 H new ATOM 0 HB2 ARG A 47 -8.658 2.732 0.444 1.00 14.12 H new ATOM 0 HB3 ARG A 47 -8.872 1.795 1.909 1.00 14.12 H new ATOM 0 HG2 ARG A 47 -9.322 4.018 3.109 1.00 64.22 H new ATOM 0 HG3 ARG A 47 -9.391 4.757 1.521 1.00 64.22 H new ATOM 0 HD2 ARG A 47 -11.169 2.537 2.591 1.00 21.33 H new ATOM 0 HD3 ARG A 47 -11.644 4.181 2.211 1.00 21.33 H new ATOM 0 HE ARG A 47 -10.684 2.295 0.083 1.00 51.41 H new ATOM 0 HH11 ARG A 47 -12.919 4.747 1.297 1.00 24.50 H new ATOM 0 HH12 ARG A 47 -13.943 4.687 -0.142 1.00 24.50 H new ATOM 0 HH21 ARG A 47 -12.028 2.189 -1.733 1.00 62.34 H new ATOM 0 HH22 ARG A 47 -13.440 3.245 -1.850 1.00 62.34 H new ATOM 770 N LYS A 48 -7.110 1.745 3.955 1.00 11.14 N ATOM 771 CA LYS A 48 -6.983 1.523 5.390 1.00 45.12 C ATOM 772 C LYS A 48 -5.587 1.882 5.877 1.00 15.45 C ATOM 773 O LYS A 48 -5.416 2.330 7.008 1.00 40.23 O ATOM 774 CB LYS A 48 -7.314 0.078 5.757 1.00 63.12 C ATOM 775 CG LYS A 48 -8.777 -0.280 5.568 1.00 24.14 C ATOM 776 CD LYS A 48 -9.119 -1.583 6.269 1.00 25.34 C ATOM 777 CE LYS A 48 -10.599 -1.899 6.159 1.00 75.12 C ATOM 778 NZ LYS A 48 -10.980 -3.052 7.012 1.00 54.40 N ATOM 0 H LYS A 48 -7.314 0.904 3.415 1.00 11.14 H new ATOM 0 HA LYS A 48 -7.701 2.176 5.886 1.00 45.12 H new ATOM 0 HB2 LYS A 48 -6.704 -0.591 5.149 1.00 63.12 H new ATOM 0 HB3 LYS A 48 -7.038 -0.096 6.797 1.00 63.12 H new ATOM 0 HG2 LYS A 48 -9.404 0.522 5.959 1.00 24.14 H new ATOM 0 HG3 LYS A 48 -8.998 -0.367 4.504 1.00 24.14 H new ATOM 0 HD2 LYS A 48 -8.538 -2.396 5.833 1.00 25.34 H new ATOM 0 HD3 LYS A 48 -8.836 -1.518 7.320 1.00 25.34 H new ATOM 0 HE2 LYS A 48 -11.180 -1.024 6.449 1.00 75.12 H new ATOM 0 HE3 LYS A 48 -10.848 -2.117 5.120 1.00 75.12 H new ATOM 0 HZ1 LYS A 48 -11.998 -3.238 6.910 1.00 54.40 H new ATOM 0 HZ2 LYS A 48 -10.444 -3.893 6.718 1.00 54.40 H new ATOM 0 HZ3 LYS A 48 -10.766 -2.834 8.006 1.00 54.40 H new ATOM 792 N ALA A 49 -4.591 1.676 5.025 1.00 3.42 N ATOM 793 CA ALA A 49 -3.222 2.055 5.344 1.00 40.22 C ATOM 794 C ALA A 49 -3.142 3.544 5.667 1.00 42.33 C ATOM 795 O ALA A 49 -2.473 3.946 6.616 1.00 34.33 O ATOM 796 CB ALA A 49 -2.290 1.703 4.196 1.00 21.32 C ATOM 0 H ALA A 49 -4.707 1.248 4.106 1.00 3.42 H new ATOM 0 HA ALA A 49 -2.905 1.496 6.224 1.00 40.22 H new ATOM 0 HB1 ALA A 49 -1.271 1.994 4.452 1.00 21.32 H new ATOM 0 HB2 ALA A 49 -2.326 0.629 4.014 1.00 21.32 H new ATOM 0 HB3 ALA A 49 -2.603 2.234 3.297 1.00 21.32 H new ATOM 802 N LYS A 50 -3.852 4.355 4.890 1.00 53.34 N ATOM 803 CA LYS A 50 -3.901 5.796 5.121 1.00 43.14 C ATOM 804 C LYS A 50 -4.606 6.117 6.436 1.00 42.14 C ATOM 805 O LYS A 50 -4.267 7.087 7.111 1.00 72.12 O ATOM 806 CB LYS A 50 -4.608 6.504 3.957 1.00 31.15 C ATOM 807 CG LYS A 50 -3.781 6.568 2.677 1.00 71.44 C ATOM 808 CD LYS A 50 -2.966 7.855 2.575 1.00 11.44 C ATOM 809 CE LYS A 50 -2.008 8.025 3.745 1.00 44.04 C ATOM 810 NZ LYS A 50 -1.192 9.263 3.624 1.00 20.25 N ATOM 0 H LYS A 50 -4.403 4.039 4.092 1.00 53.34 H new ATOM 0 HA LYS A 50 -2.875 6.160 5.184 1.00 43.14 H new ATOM 0 HB2 LYS A 50 -5.545 5.989 3.747 1.00 31.15 H new ATOM 0 HB3 LYS A 50 -4.864 7.518 4.263 1.00 31.15 H new ATOM 0 HG2 LYS A 50 -3.108 5.711 2.639 1.00 71.44 H new ATOM 0 HG3 LYS A 50 -4.444 6.491 1.815 1.00 71.44 H new ATOM 0 HD2 LYS A 50 -2.401 7.852 1.643 1.00 11.44 H new ATOM 0 HD3 LYS A 50 -3.642 8.709 2.535 1.00 11.44 H new ATOM 0 HE2 LYS A 50 -2.575 8.054 4.676 1.00 44.04 H new ATOM 0 HE3 LYS A 50 -1.347 7.160 3.801 1.00 44.04 H new ATOM 0 HZ1 LYS A 50 -0.554 9.339 4.441 1.00 20.25 H new ATOM 0 HZ2 LYS A 50 -0.631 9.225 2.749 1.00 20.25 H new ATOM 0 HZ3 LYS A 50 -1.820 10.091 3.597 1.00 20.25 H new ATOM 824 N GLU A 51 -5.574 5.292 6.804 1.00 24.44 N ATOM 825 CA GLU A 51 -6.316 5.483 8.046 1.00 72.03 C ATOM 826 C GLU A 51 -5.497 5.013 9.249 1.00 74.42 C ATOM 827 O GLU A 51 -5.541 5.617 10.320 1.00 10.13 O ATOM 828 CB GLU A 51 -7.640 4.720 7.994 1.00 75.13 C ATOM 829 CG GLU A 51 -8.458 5.014 6.748 1.00 73.14 C ATOM 830 CD GLU A 51 -9.775 4.271 6.727 1.00 2.41 C ATOM 831 OE1 GLU A 51 -9.764 3.024 6.764 1.00 62.44 O ATOM 832 OE2 GLU A 51 -10.834 4.930 6.671 1.00 4.24 O ATOM 0 H GLU A 51 -5.867 4.480 6.260 1.00 24.44 H new ATOM 0 HA GLU A 51 -6.518 6.548 8.158 1.00 72.03 H new ATOM 0 HB2 GLU A 51 -7.436 3.650 8.042 1.00 75.13 H new ATOM 0 HB3 GLU A 51 -8.231 4.972 8.875 1.00 75.13 H new ATOM 0 HG2 GLU A 51 -8.649 6.085 6.688 1.00 73.14 H new ATOM 0 HG3 GLU A 51 -7.878 4.743 5.865 1.00 73.14 H new ATOM 839 N HIS A 52 -4.758 3.926 9.062 1.00 32.21 N ATOM 840 CA HIS A 52 -3.982 3.312 10.138 1.00 64.44 C ATOM 841 C HIS A 52 -2.654 4.032 10.355 1.00 73.50 C ATOM 842 O HIS A 52 -2.227 4.236 11.491 1.00 20.44 O ATOM 843 CB HIS A 52 -3.741 1.835 9.812 1.00 23.33 C ATOM 844 CG HIS A 52 -3.236 1.014 10.959 1.00 62.10 C ATOM 845 ND1 HIS A 52 -4.062 0.502 11.928 1.00 14.22 N ATOM 846 CD2 HIS A 52 -1.992 0.581 11.264 1.00 15.24 C ATOM 847 CE1 HIS A 52 -3.357 -0.218 12.775 1.00 52.32 C ATOM 848 NE2 HIS A 52 -2.090 -0.189 12.398 1.00 51.31 N ATOM 0 H HIS A 52 -4.678 3.446 8.166 1.00 32.21 H new ATOM 0 HA HIS A 52 -4.552 3.395 11.063 1.00 64.44 H new ATOM 0 HB2 HIS A 52 -4.674 1.399 9.454 1.00 23.33 H new ATOM 0 HB3 HIS A 52 -3.024 1.770 8.993 1.00 23.33 H new ATOM 0 HD2 HIS A 52 -1.087 0.800 10.717 1.00 15.24 H new ATOM 0 HE1 HIS A 52 -3.748 -0.744 13.634 1.00 52.32 H new ATOM 0 HE2 HIS A 52 -1.317 -0.658 12.869 1.00 51.31 H new ATOM 857 N LEU A 53 -1.998 4.406 9.265 1.00 62.04 N ATOM 858 CA LEU A 53 -0.699 5.064 9.349 1.00 71.51 C ATOM 859 C LEU A 53 -0.860 6.577 9.447 1.00 23.31 C ATOM 860 O LEU A 53 -0.032 7.257 10.055 1.00 64.43 O ATOM 861 CB LEU A 53 0.167 4.704 8.138 1.00 74.20 C ATOM 862 CG LEU A 53 0.468 3.213 7.976 1.00 5.03 C ATOM 863 CD1 LEU A 53 1.276 2.962 6.714 1.00 24.33 C ATOM 864 CD2 LEU A 53 1.207 2.685 9.196 1.00 13.25 C ATOM 0 H LEU A 53 -2.341 4.266 8.315 1.00 62.04 H new ATOM 0 HA LEU A 53 -0.202 4.711 10.253 1.00 71.51 H new ATOM 0 HB2 LEU A 53 -0.332 5.058 7.236 1.00 74.20 H new ATOM 0 HB3 LEU A 53 1.111 5.243 8.213 1.00 74.20 H new ATOM 0 HG LEU A 53 -0.479 2.680 7.887 1.00 5.03 H new ATOM 0 HD11 LEU A 53 1.479 1.895 6.618 1.00 24.33 H new ATOM 0 HD12 LEU A 53 0.711 3.303 5.846 1.00 24.33 H new ATOM 0 HD13 LEU A 53 2.218 3.507 6.771 1.00 24.33 H new ATOM 0 HD21 LEU A 53 1.414 1.623 9.065 1.00 13.25 H new ATOM 0 HD22 LEU A 53 2.146 3.225 9.315 1.00 13.25 H new ATOM 0 HD23 LEU A 53 0.592 2.828 10.084 1.00 13.25 H new ATOM 876 N GLY A 54 -1.918 7.098 8.840 1.00 3.54 N ATOM 877 CA GLY A 54 -2.182 8.522 8.900 1.00 12.10 C ATOM 878 C GLY A 54 -3.162 8.861 10.000 1.00 50.52 C ATOM 879 O GLY A 54 -2.771 9.364 11.055 1.00 22.22 O ATOM 0 H GLY A 54 -2.599 6.559 8.306 1.00 3.54 H new ATOM 0 HA2 GLY A 54 -1.248 9.059 9.066 1.00 12.10 H new ATOM 0 HA3 GLY A 54 -2.578 8.860 7.942 1.00 12.10 H new ATOM 883 N GLY A 55 -4.437 8.588 9.751 1.00 54.53 N ATOM 884 CA GLY A 55 -5.462 8.786 10.760 1.00 53.23 C ATOM 885 C GLY A 55 -5.882 10.237 10.914 1.00 52.02 C ATOM 886 O GLY A 55 -7.057 10.566 10.745 1.00 74.14 O ATOM 0 H GLY A 55 -4.782 8.230 8.860 1.00 54.53 H new ATOM 0 HA2 GLY A 55 -6.336 8.188 10.502 1.00 53.23 H new ATOM 0 HA3 GLY A 55 -5.095 8.418 11.718 1.00 53.23 H new ATOM 890 N LEU A 56 -4.915 11.096 11.227 1.00 30.12 N ATOM 891 CA LEU A 56 -5.173 12.509 11.492 1.00 64.10 C ATOM 892 C LEU A 56 -5.961 13.169 10.364 1.00 31.33 C ATOM 893 O LEU A 56 -7.071 13.658 10.580 1.00 72.20 O ATOM 894 CB LEU A 56 -3.857 13.264 11.706 1.00 4.42 C ATOM 895 CG LEU A 56 -3.054 12.840 12.939 1.00 3.23 C ATOM 896 CD1 LEU A 56 -1.752 13.620 13.018 1.00 63.11 C ATOM 897 CD2 LEU A 56 -3.871 13.043 14.207 1.00 60.32 C ATOM 0 H LEU A 56 -3.933 10.833 11.304 1.00 30.12 H new ATOM 0 HA LEU A 56 -5.776 12.558 12.399 1.00 64.10 H new ATOM 0 HB2 LEU A 56 -3.233 13.131 10.822 1.00 4.42 H new ATOM 0 HB3 LEU A 56 -4.076 14.329 11.784 1.00 4.42 H new ATOM 0 HG LEU A 56 -2.819 11.780 12.847 1.00 3.23 H new ATOM 0 HD11 LEU A 56 -1.193 13.307 13.900 1.00 63.11 H new ATOM 0 HD12 LEU A 56 -1.158 13.428 12.125 1.00 63.11 H new ATOM 0 HD13 LEU A 56 -1.970 14.686 13.086 1.00 63.11 H new ATOM 0 HD21 LEU A 56 -3.283 12.736 15.072 1.00 60.32 H new ATOM 0 HD22 LEU A 56 -4.137 14.096 14.304 1.00 60.32 H new ATOM 0 HD23 LEU A 56 -4.779 12.443 14.154 1.00 60.32 H new ATOM 909 N GLU A 57 -5.401 13.179 9.166 1.00 62.52 N ATOM 910 CA GLU A 57 -6.046 13.844 8.048 1.00 2.05 C ATOM 911 C GLU A 57 -6.327 12.881 6.907 1.00 50.53 C ATOM 912 O GLU A 57 -5.580 11.931 6.668 1.00 43.02 O ATOM 913 CB GLU A 57 -5.203 15.012 7.551 1.00 12.33 C ATOM 914 CG GLU A 57 -5.087 16.144 8.556 1.00 4.21 C ATOM 915 CD GLU A 57 -4.313 17.318 8.013 1.00 1.32 C ATOM 916 OE1 GLU A 57 -4.929 18.188 7.360 1.00 14.14 O ATOM 917 OE2 GLU A 57 -3.086 17.372 8.226 1.00 11.41 O ATOM 0 H GLU A 57 -4.508 12.738 8.944 1.00 62.52 H new ATOM 0 HA GLU A 57 -7.001 14.226 8.409 1.00 2.05 H new ATOM 0 HB2 GLU A 57 -4.204 14.651 7.305 1.00 12.33 H new ATOM 0 HB3 GLU A 57 -5.638 15.398 6.629 1.00 12.33 H new ATOM 0 HG2 GLU A 57 -6.085 16.473 8.845 1.00 4.21 H new ATOM 0 HG3 GLU A 57 -4.598 15.776 9.458 1.00 4.21 H new ATOM 924 N HIS A 58 -7.413 13.151 6.202 1.00 75.21 N ATOM 925 CA HIS A 58 -7.845 12.336 5.079 1.00 32.14 C ATOM 926 C HIS A 58 -8.541 13.214 4.049 1.00 60.41 C ATOM 927 O HIS A 58 -9.769 13.307 4.009 1.00 40.12 O ATOM 928 CB HIS A 58 -8.763 11.188 5.540 1.00 62.21 C ATOM 929 CG HIS A 58 -9.765 11.569 6.596 1.00 63.53 C ATOM 930 ND1 HIS A 58 -10.941 12.233 6.323 1.00 21.45 N ATOM 931 CD2 HIS A 58 -9.761 11.356 7.936 1.00 43.30 C ATOM 932 CE1 HIS A 58 -11.616 12.411 7.444 1.00 52.15 C ATOM 933 NE2 HIS A 58 -10.923 11.888 8.437 1.00 24.44 N ATOM 0 H HIS A 58 -8.023 13.946 6.394 1.00 75.21 H new ATOM 0 HA HIS A 58 -6.967 11.880 4.620 1.00 32.14 H new ATOM 0 HB2 HIS A 58 -9.298 10.799 4.674 1.00 62.21 H new ATOM 0 HB3 HIS A 58 -8.143 10.377 5.922 1.00 62.21 H new ATOM 0 HD1 HIS A 58 -11.243 12.540 5.398 1.00 21.45 H new ATOM 0 HD2 HIS A 58 -8.987 10.860 8.503 1.00 43.30 H new ATOM 0 HE1 HIS A 58 -12.574 12.902 7.533 1.00 52.15 H new ATOM 942 N HIS A 59 -7.742 13.879 3.228 1.00 62.53 N ATOM 943 CA HIS A 59 -8.266 14.858 2.286 1.00 50.41 C ATOM 944 C HIS A 59 -8.639 14.200 0.966 1.00 44.44 C ATOM 945 O HIS A 59 -7.787 13.946 0.115 1.00 32.41 O ATOM 946 CB HIS A 59 -7.256 15.986 2.044 1.00 62.14 C ATOM 947 CG HIS A 59 -6.997 16.843 3.248 1.00 4.31 C ATOM 948 ND1 HIS A 59 -7.711 17.991 3.520 1.00 74.32 N ATOM 949 CD2 HIS A 59 -6.092 16.720 4.249 1.00 65.03 C ATOM 950 CE1 HIS A 59 -7.259 18.534 4.635 1.00 15.43 C ATOM 951 NE2 HIS A 59 -6.279 17.783 5.097 1.00 11.14 N ATOM 0 H HIS A 59 -6.730 13.759 3.195 1.00 62.53 H new ATOM 0 HA HIS A 59 -9.166 15.288 2.726 1.00 50.41 H new ATOM 0 HB2 HIS A 59 -6.314 15.551 1.711 1.00 62.14 H new ATOM 0 HB3 HIS A 59 -7.619 16.617 1.233 1.00 62.14 H new ATOM 0 HD2 HIS A 59 -5.361 15.933 4.359 1.00 65.03 H new ATOM 0 HE1 HIS A 59 -7.629 19.440 5.091 1.00 15.43 H new ATOM 0 HE2 HIS A 59 -5.746 17.963 5.948 1.00 11.14 H new ATOM 960 N HIS A 60 -9.918 13.906 0.819 1.00 74.34 N ATOM 961 CA HIS A 60 -10.443 13.341 -0.411 1.00 72.54 C ATOM 962 C HIS A 60 -11.855 13.856 -0.633 1.00 72.51 C ATOM 963 O HIS A 60 -12.750 13.609 0.174 1.00 10.42 O ATOM 964 CB HIS A 60 -10.428 11.809 -0.353 1.00 15.33 C ATOM 965 CG HIS A 60 -10.782 11.149 -1.650 1.00 13.24 C ATOM 966 ND1 HIS A 60 -9.932 11.111 -2.736 1.00 11.41 N ATOM 967 CD2 HIS A 60 -11.902 10.495 -2.030 1.00 70.21 C ATOM 968 CE1 HIS A 60 -10.515 10.458 -3.726 1.00 60.23 C ATOM 969 NE2 HIS A 60 -11.713 10.073 -3.321 1.00 42.21 N ATOM 0 H HIS A 60 -10.619 14.051 1.545 1.00 74.34 H new ATOM 0 HA HIS A 60 -9.813 13.647 -1.246 1.00 72.54 H new ATOM 0 HB2 HIS A 60 -9.436 11.477 -0.046 1.00 15.33 H new ATOM 0 HB3 HIS A 60 -11.127 11.477 0.415 1.00 15.33 H new ATOM 0 HD2 HIS A 60 -12.784 10.334 -1.428 1.00 70.21 H new ATOM 0 HE1 HIS A 60 -10.086 10.271 -4.699 1.00 60.23 H new ATOM 0 HE2 HIS A 60 -12.387 9.548 -3.878 1.00 42.21 H new ATOM 978 N HIS A 61 -12.040 14.582 -1.720 1.00 54.51 N ATOM 979 CA HIS A 61 -13.305 15.240 -1.995 1.00 12.04 C ATOM 980 C HIS A 61 -14.194 14.351 -2.854 1.00 13.24 C ATOM 981 O HIS A 61 -13.844 14.014 -3.985 1.00 72.20 O ATOM 982 CB HIS A 61 -13.052 16.579 -2.695 1.00 30.24 C ATOM 983 CG HIS A 61 -14.252 17.475 -2.761 1.00 63.41 C ATOM 984 ND1 HIS A 61 -14.485 18.479 -1.848 1.00 62.01 N ATOM 985 CD2 HIS A 61 -15.277 17.529 -3.644 1.00 34.30 C ATOM 986 CE1 HIS A 61 -15.599 19.109 -2.164 1.00 65.14 C ATOM 987 NE2 HIS A 61 -16.099 18.553 -3.250 1.00 42.43 N ATOM 0 H HIS A 61 -11.325 14.732 -2.432 1.00 54.51 H new ATOM 0 HA HIS A 61 -13.818 15.425 -1.051 1.00 12.04 H new ATOM 0 HB2 HIS A 61 -12.250 17.102 -2.174 1.00 30.24 H new ATOM 0 HB3 HIS A 61 -12.701 16.386 -3.709 1.00 30.24 H new ATOM 0 HD2 HIS A 61 -15.420 16.885 -4.499 1.00 34.30 H new ATOM 0 HE1 HIS A 61 -16.029 19.940 -1.625 1.00 65.14 H new ATOM 0 HE2 HIS A 61 -16.958 18.838 -3.721 1.00 42.43 H new ATOM 996 N HIS A 62 -15.338 13.971 -2.306 1.00 5.35 N ATOM 997 CA HIS A 62 -16.290 13.137 -3.022 1.00 73.14 C ATOM 998 C HIS A 62 -17.095 13.986 -3.999 1.00 32.14 C ATOM 999 O HIS A 62 -17.735 14.963 -3.600 1.00 70.33 O ATOM 1000 CB HIS A 62 -17.232 12.435 -2.039 1.00 71.24 C ATOM 1001 CG HIS A 62 -18.250 11.547 -2.695 1.00 60.35 C ATOM 1002 ND1 HIS A 62 -19.478 12.003 -3.127 1.00 33.10 N ATOM 1003 CD2 HIS A 62 -18.218 10.226 -2.994 1.00 53.15 C ATOM 1004 CE1 HIS A 62 -20.154 11.003 -3.658 1.00 52.31 C ATOM 1005 NE2 HIS A 62 -19.415 9.915 -3.590 1.00 10.44 N ATOM 0 H HIS A 62 -15.630 14.229 -1.363 1.00 5.35 H new ATOM 0 HA HIS A 62 -15.739 12.379 -3.578 1.00 73.14 H new ATOM 0 HB2 HIS A 62 -16.638 11.839 -1.346 1.00 71.24 H new ATOM 0 HB3 HIS A 62 -17.751 13.189 -1.447 1.00 71.24 H new ATOM 0 HD2 HIS A 62 -17.403 9.545 -2.800 1.00 53.15 H new ATOM 0 HE1 HIS A 62 -21.147 11.066 -4.078 1.00 52.31 H new ATOM 0 HE2 HIS A 62 -19.688 8.991 -3.926 1.00 10.44 H new ATOM 1014 N HIS A 63 -17.056 13.616 -5.268 1.00 24.21 N ATOM 1015 CA HIS A 63 -17.790 14.333 -6.296 1.00 21.44 C ATOM 1016 C HIS A 63 -18.019 13.419 -7.488 1.00 63.03 C ATOM 1017 O HIS A 63 -17.144 13.368 -8.378 1.00 40.25 O ATOM 1018 CB HIS A 63 -17.029 15.591 -6.726 1.00 51.10 C ATOM 1019 CG HIS A 63 -17.815 16.499 -7.621 1.00 54.11 C ATOM 1020 ND1 HIS A 63 -17.504 16.697 -8.945 1.00 12.32 N ATOM 1021 CD2 HIS A 63 -18.894 17.276 -7.369 1.00 30.43 C ATOM 1022 CE1 HIS A 63 -18.354 17.557 -9.470 1.00 54.41 C ATOM 1023 NE2 HIS A 63 -19.210 17.923 -8.536 1.00 45.54 N ATOM 1024 OXT HIS A 63 -19.053 12.728 -7.511 1.00 40.25 O ATOM 0 H HIS A 63 -16.521 12.819 -5.612 1.00 24.21 H new ATOM 0 HA HIS A 63 -18.754 14.643 -5.892 1.00 21.44 H new ATOM 0 HB2 HIS A 63 -16.729 16.144 -5.836 1.00 51.10 H new ATOM 0 HB3 HIS A 63 -16.115 15.293 -7.239 1.00 51.10 H new ATOM 0 HD2 HIS A 63 -19.410 17.369 -6.425 1.00 30.43 H new ATOM 0 HE1 HIS A 63 -18.350 17.904 -10.493 1.00 54.41 H new ATOM 0 HE2 HIS A 63 -19.981 18.580 -8.661 1.00 45.54 H new TER 1033 HIS A 63