USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 20 THR OG1 : rot 103:sc= 1.01 USER MOD Set 2.1: A 4 THR OG1 : rot 110:sc= 0.343 USER MOD Set 2.2: A 6 GLN : amide:sc= -3.01! C(o=-2.7!,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.213 (180deg=-0.395) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -6.15! C(o=-6.1!,f=-5.7!) USER MOD Single : A 12 GLN : amide:sc= -5.43! C(o=-5.4!,f=-3.9!) USER MOD Single : A 28 SER OG : rot -59:sc= 0.0439 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-7.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -2.55 (180deg=-2.59) USER MOD Single : A 53 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.556 7.281 -13.810 1.00 0.00 N ATOM 2 CA MET A 1 3.187 7.714 -13.409 1.00 0.00 C ATOM 3 C MET A 1 3.107 7.799 -11.884 1.00 0.00 C ATOM 4 O MET A 1 4.054 8.177 -11.223 1.00 0.00 O ATOM 5 CB MET A 1 2.161 6.701 -13.917 1.00 0.00 C ATOM 6 CG MET A 1 2.295 6.555 -15.435 1.00 0.00 C ATOM 7 SD MET A 1 1.692 8.060 -16.241 1.00 0.00 S ATOM 8 CE MET A 1 2.358 7.717 -17.888 1.00 0.00 C ATOM 0 H1 MET A 1 4.689 7.448 -14.828 1.00 0.00 H new ATOM 0 H2 MET A 1 5.263 7.825 -13.275 1.00 0.00 H new ATOM 0 H3 MET A 1 4.673 6.268 -13.608 1.00 0.00 H new ATOM 0 HA MET A 1 2.975 8.692 -13.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.316 5.737 -13.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.153 7.028 -13.660 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.336 6.378 -15.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.726 5.692 -15.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.099 8.533 -18.562 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.442 7.624 -17.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.934 6.787 -18.265 1.00 0.00 H new ATOM 20 N TYR A 2 1.982 7.455 -11.318 1.00 0.00 N ATOM 21 CA TYR A 2 1.845 7.520 -9.835 1.00 0.00 C ATOM 22 C TYR A 2 0.483 6.929 -9.432 1.00 0.00 C ATOM 23 O TYR A 2 -0.556 7.424 -9.817 1.00 0.00 O ATOM 24 CB TYR A 2 1.952 9.001 -9.385 1.00 0.00 C ATOM 25 CG TYR A 2 3.028 9.165 -8.325 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.858 8.586 -7.062 1.00 0.00 C ATOM 27 CD2 TYR A 2 4.192 9.895 -8.608 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.847 8.736 -6.082 1.00 0.00 C ATOM 29 CE2 TYR A 2 5.181 10.044 -7.628 1.00 0.00 C ATOM 30 CZ TYR A 2 5.009 9.465 -6.366 1.00 0.00 C ATOM 31 OH TYR A 2 5.983 9.612 -5.400 1.00 0.00 O ATOM 0 H TYR A 2 1.153 7.132 -11.817 1.00 0.00 H new ATOM 0 HA TYR A 2 2.635 6.945 -9.352 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.182 9.631 -10.244 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.993 9.337 -8.991 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.963 8.023 -6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.325 10.342 -9.582 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.714 8.290 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.077 10.606 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 2 6.723 10.144 -5.760 1.00 0.00 H new ATOM 41 N LEU A 3 0.486 5.875 -8.656 1.00 0.00 N ATOM 42 CA LEU A 3 -0.802 5.251 -8.222 1.00 0.00 C ATOM 43 C LEU A 3 -1.164 5.766 -6.830 1.00 0.00 C ATOM 44 O LEU A 3 -0.391 5.660 -5.898 1.00 0.00 O ATOM 45 CB LEU A 3 -0.644 3.729 -8.167 1.00 0.00 C ATOM 46 CG LEU A 3 -0.100 3.205 -9.500 1.00 0.00 C ATOM 47 CD1 LEU A 3 0.136 1.695 -9.388 1.00 0.00 C ATOM 48 CD2 LEU A 3 -1.111 3.481 -10.623 1.00 0.00 C ATOM 0 H LEU A 3 1.327 5.418 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.588 5.510 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.032 3.455 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.606 3.264 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 3 0.837 3.711 -9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.523 1.316 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.857 1.497 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.805 1.196 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.717 3.106 -11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.052 2.979 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.282 4.554 -10.702 1.00 0.00 H new ATOM 60 N THR A 4 -2.333 6.325 -6.678 1.00 0.00 N ATOM 61 CA THR A 4 -2.741 6.846 -5.344 1.00 0.00 C ATOM 62 C THR A 4 -3.256 5.693 -4.479 1.00 0.00 C ATOM 63 O THR A 4 -3.551 4.622 -4.968 1.00 0.00 O ATOM 64 CB THR A 4 -3.849 7.887 -5.520 1.00 0.00 C ATOM 65 OG1 THR A 4 -5.062 7.231 -5.863 1.00 0.00 O ATOM 66 CG2 THR A 4 -3.461 8.863 -6.632 1.00 0.00 C ATOM 0 H THR A 4 -3.023 6.443 -7.420 1.00 0.00 H new ATOM 0 HA THR A 4 -1.882 7.308 -4.857 1.00 0.00 H new ATOM 0 HB THR A 4 -3.984 8.437 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.689 7.289 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.250 9.604 -6.757 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.530 9.365 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.325 8.316 -7.565 1.00 0.00 H new ATOM 74 N LEU A 5 -3.363 5.909 -3.196 1.00 0.00 N ATOM 75 CA LEU A 5 -3.857 4.839 -2.276 1.00 0.00 C ATOM 76 C LEU A 5 -5.060 4.127 -2.898 1.00 0.00 C ATOM 77 O LEU A 5 -4.989 2.978 -3.285 1.00 0.00 O ATOM 78 CB LEU A 5 -4.262 5.493 -0.943 1.00 0.00 C ATOM 79 CG LEU A 5 -5.152 4.555 -0.105 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.504 3.168 0.019 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.349 5.164 1.288 1.00 0.00 C ATOM 0 H LEU A 5 -3.127 6.790 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.072 4.102 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.368 5.751 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.795 6.423 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.117 4.441 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.146 2.518 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.373 2.738 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.533 3.262 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.978 4.506 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.380 5.282 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.829 6.138 1.195 1.00 0.00 H new ATOM 93 N GLN A 6 -6.169 4.798 -2.964 1.00 0.00 N ATOM 94 CA GLN A 6 -7.397 4.167 -3.523 1.00 0.00 C ATOM 95 C GLN A 6 -7.071 3.413 -4.818 1.00 0.00 C ATOM 96 O GLN A 6 -7.420 2.261 -4.976 1.00 0.00 O ATOM 97 CB GLN A 6 -8.448 5.247 -3.802 1.00 0.00 C ATOM 98 CG GLN A 6 -8.661 6.110 -2.544 1.00 0.00 C ATOM 99 CD GLN A 6 -7.596 7.210 -2.468 1.00 0.00 C ATOM 100 OE1 GLN A 6 -6.886 7.455 -3.423 1.00 0.00 O ATOM 101 NE2 GLN A 6 -7.456 7.886 -1.361 1.00 0.00 N ATOM 0 H GLN A 6 -6.282 5.763 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.789 3.456 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.126 5.874 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.389 4.783 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.655 6.557 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.612 5.484 -1.653 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.052 7.681 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.751 8.620 -1.297 1.00 0.00 H new ATOM 110 N GLU A 7 -6.412 4.050 -5.747 1.00 0.00 N ATOM 111 CA GLU A 7 -6.076 3.358 -7.026 1.00 0.00 C ATOM 112 C GLU A 7 -5.072 2.231 -6.760 1.00 0.00 C ATOM 113 O GLU A 7 -5.171 1.152 -7.310 1.00 0.00 O ATOM 114 CB GLU A 7 -5.466 4.365 -8.003 1.00 0.00 C ATOM 115 CG GLU A 7 -6.542 5.350 -8.462 1.00 0.00 C ATOM 116 CD GLU A 7 -5.891 6.490 -9.246 1.00 0.00 C ATOM 117 OE1 GLU A 7 -5.429 6.238 -10.347 1.00 0.00 O ATOM 118 OE2 GLU A 7 -5.864 7.597 -8.732 1.00 0.00 O ATOM 0 H GLU A 7 -6.092 5.016 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.984 2.935 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.647 4.902 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.045 3.844 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.276 4.839 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.078 5.747 -7.600 1.00 0.00 H new ATOM 125 N TRP A 8 -4.107 2.478 -5.920 1.00 0.00 N ATOM 126 CA TRP A 8 -3.089 1.438 -5.608 1.00 0.00 C ATOM 127 C TRP A 8 -3.787 0.124 -5.253 1.00 0.00 C ATOM 128 O TRP A 8 -3.488 -0.916 -5.804 1.00 0.00 O ATOM 129 CB TRP A 8 -2.260 1.922 -4.420 1.00 0.00 C ATOM 130 CG TRP A 8 -1.049 1.066 -4.241 1.00 0.00 C ATOM 131 CD1 TRP A 8 0.026 1.041 -5.063 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.768 0.121 -3.175 1.00 0.00 C ATOM 133 NE1 TRP A 8 0.949 0.140 -4.561 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.504 -0.451 -3.402 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.487 -0.293 -2.042 1.00 0.00 C ATOM 136 CZ2 TRP A 8 1.046 -1.395 -2.539 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -0.944 -1.249 -1.168 1.00 0.00 C ATOM 138 CH2 TRP A 8 0.323 -1.797 -1.420 1.00 0.00 C ATOM 0 H TRP A 8 -3.979 3.364 -5.432 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.445 1.269 -6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.960 2.958 -4.577 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.865 1.899 -3.514 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.144 1.627 -5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.849 -0.061 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.462 0.126 -1.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.022 -1.814 -2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.503 -1.563 -0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.737 -2.531 -0.745 1.00 0.00 H new ATOM 149 N ASN A 9 -4.714 0.163 -4.336 1.00 0.00 N ATOM 150 CA ASN A 9 -5.429 -1.084 -3.946 1.00 0.00 C ATOM 151 C ASN A 9 -6.442 -1.456 -5.032 1.00 0.00 C ATOM 152 O ASN A 9 -6.776 -2.611 -5.211 1.00 0.00 O ATOM 153 CB ASN A 9 -6.160 -0.858 -2.622 1.00 0.00 C ATOM 154 CG ASN A 9 -7.203 0.248 -2.795 1.00 0.00 C ATOM 155 OD1 ASN A 9 -7.095 1.299 -2.197 1.00 0.00 O ATOM 156 ND2 ASN A 9 -8.215 0.055 -3.597 1.00 0.00 N ATOM 0 H ASN A 9 -5.007 1.005 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.709 -1.894 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.643 -1.780 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.448 -0.582 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.914 0.787 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.306 -0.828 -4.100 1.00 0.00 H new ATOM 163 N ALA A 10 -6.934 -0.490 -5.759 1.00 0.00 N ATOM 164 CA ALA A 10 -7.924 -0.797 -6.830 1.00 0.00 C ATOM 165 C ALA A 10 -7.302 -1.765 -7.837 1.00 0.00 C ATOM 166 O ALA A 10 -7.992 -2.395 -8.614 1.00 0.00 O ATOM 167 CB ALA A 10 -8.325 0.495 -7.546 1.00 0.00 C ATOM 0 H ALA A 10 -6.694 0.496 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.808 -1.253 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.049 0.268 -8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.770 1.185 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.442 0.954 -7.991 1.00 0.00 H new ATOM 173 N ARG A 11 -6.002 -1.890 -7.832 1.00 0.00 N ATOM 174 CA ARG A 11 -5.336 -2.817 -8.795 1.00 0.00 C ATOM 175 C ARG A 11 -5.292 -4.225 -8.198 1.00 0.00 C ATOM 176 O ARG A 11 -5.242 -5.208 -8.911 1.00 0.00 O ATOM 177 CB ARG A 11 -3.909 -2.335 -9.069 1.00 0.00 C ATOM 178 CG ARG A 11 -3.945 -0.984 -9.794 1.00 0.00 C ATOM 179 CD ARG A 11 -2.590 -0.720 -10.458 1.00 0.00 C ATOM 180 NE ARG A 11 -1.502 -1.275 -9.604 1.00 0.00 N ATOM 181 CZ ARG A 11 -0.307 -1.444 -10.099 1.00 0.00 C ATOM 182 NH1 ARG A 11 -0.063 -1.124 -11.340 1.00 0.00 N ATOM 183 NH2 ARG A 11 0.645 -1.933 -9.353 1.00 0.00 N ATOM 0 H ARG A 11 -5.372 -1.391 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.898 -2.834 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.362 -2.240 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.378 -3.069 -9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.735 -0.984 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.176 -0.187 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.562 -1.179 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.445 0.351 -10.600 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.692 -1.523 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.807 -0.741 -11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.872 -1.256 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.455 -2.183 -8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.579 -2.065 -9.740 1.00 0.00 H new ATOM 197 N GLN A 12 -5.317 -4.334 -6.898 1.00 0.00 N ATOM 198 CA GLN A 12 -5.286 -5.683 -6.268 1.00 0.00 C ATOM 199 C GLN A 12 -6.650 -6.350 -6.460 1.00 0.00 C ATOM 200 O GLN A 12 -7.681 -5.716 -6.352 1.00 0.00 O ATOM 201 CB GLN A 12 -4.981 -5.544 -4.770 1.00 0.00 C ATOM 202 CG GLN A 12 -3.476 -5.344 -4.564 1.00 0.00 C ATOM 203 CD GLN A 12 -2.994 -4.167 -5.413 1.00 0.00 C ATOM 204 OE1 GLN A 12 -2.941 -3.048 -4.945 1.00 0.00 O ATOM 205 NE2 GLN A 12 -2.636 -4.375 -6.651 1.00 0.00 N ATOM 0 H GLN A 12 -5.357 -3.550 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.511 -6.292 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.530 -4.699 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.315 -6.434 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.265 -5.157 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.937 -6.250 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.681 -5.315 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.312 -3.597 -7.226 1.00 0.00 H new ATOM 214 N ARG A 13 -6.667 -7.623 -6.746 1.00 0.00 N ATOM 215 CA ARG A 13 -7.967 -8.325 -6.948 1.00 0.00 C ATOM 216 C ARG A 13 -8.548 -8.722 -5.588 1.00 0.00 C ATOM 217 O ARG A 13 -9.624 -9.279 -5.502 1.00 0.00 O ATOM 218 CB ARG A 13 -7.741 -9.576 -7.798 1.00 0.00 C ATOM 219 CG ARG A 13 -6.982 -9.193 -9.076 1.00 0.00 C ATOM 220 CD ARG A 13 -7.785 -8.150 -9.875 1.00 0.00 C ATOM 221 NE ARG A 13 -7.538 -8.339 -11.340 1.00 0.00 N ATOM 222 CZ ARG A 13 -6.324 -8.431 -11.819 1.00 0.00 C ATOM 223 NH1 ARG A 13 -5.293 -8.177 -11.062 1.00 0.00 N ATOM 224 NH2 ARG A 13 -6.146 -8.724 -13.078 1.00 0.00 N ATOM 0 H ARG A 13 -5.837 -8.208 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.666 -7.663 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.174 -10.316 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.697 -10.034 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.002 -8.791 -8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.813 -10.079 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.849 -8.252 -9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.494 -7.144 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.332 -8.397 -11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.430 -7.904 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.350 -8.251 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.951 -8.880 -13.684 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.201 -8.797 -13.456 1.00 0.00 H new ATOM 238 N ARG A 14 -7.846 -8.435 -4.524 1.00 0.00 N ATOM 239 CA ARG A 14 -8.358 -8.790 -3.166 1.00 0.00 C ATOM 240 C ARG A 14 -7.846 -7.771 -2.144 1.00 0.00 C ATOM 241 O ARG A 14 -7.098 -8.105 -1.248 1.00 0.00 O ATOM 242 CB ARG A 14 -7.865 -10.187 -2.783 1.00 0.00 C ATOM 243 CG ARG A 14 -8.613 -10.672 -1.534 1.00 0.00 C ATOM 244 CD ARG A 14 -8.180 -12.111 -1.169 1.00 0.00 C ATOM 245 NE ARG A 14 -9.384 -12.939 -0.835 1.00 0.00 N ATOM 246 CZ ARG A 14 -10.315 -12.494 -0.029 1.00 0.00 C ATOM 247 NH1 ARG A 14 -10.164 -11.358 0.591 1.00 0.00 N ATOM 248 NH2 ARG A 14 -11.387 -13.210 0.179 1.00 0.00 N ATOM 0 H ARG A 14 -6.939 -7.969 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.448 -8.779 -3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.027 -10.880 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.792 -10.165 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.411 -10.002 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.688 -10.643 -1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.640 -12.560 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.496 -12.090 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.480 -13.868 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.316 -10.809 0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.894 -11.018 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.496 -14.112 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.115 -12.868 0.806 1.00 0.00 H new ATOM 262 N PRO A 15 -8.247 -6.534 -2.281 1.00 0.00 N ATOM 263 CA PRO A 15 -7.827 -5.440 -1.360 1.00 0.00 C ATOM 264 C PRO A 15 -8.690 -5.387 -0.093 1.00 0.00 C ATOM 265 O PRO A 15 -9.407 -6.317 0.223 1.00 0.00 O ATOM 266 CB PRO A 15 -8.038 -4.187 -2.212 1.00 0.00 C ATOM 267 CG PRO A 15 -9.218 -4.517 -3.071 1.00 0.00 C ATOM 268 CD PRO A 15 -9.151 -6.032 -3.334 1.00 0.00 C ATOM 0 HA PRO A 15 -6.807 -5.564 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.230 -3.312 -1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.158 -3.963 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.149 -4.250 -2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.186 -3.958 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.136 -6.493 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.764 -6.248 -4.330 1.00 0.00 H new ATOM 276 N ARG A 16 -8.630 -4.298 0.628 1.00 0.00 N ATOM 277 CA ARG A 16 -9.445 -4.164 1.873 1.00 0.00 C ATOM 278 C ARG A 16 -9.850 -2.697 2.042 1.00 0.00 C ATOM 279 O ARG A 16 -9.602 -1.872 1.185 1.00 0.00 O ATOM 280 CB ARG A 16 -8.610 -4.604 3.086 1.00 0.00 C ATOM 281 CG ARG A 16 -8.593 -6.139 3.190 1.00 0.00 C ATOM 282 CD ARG A 16 -10.004 -6.683 3.527 1.00 0.00 C ATOM 283 NE ARG A 16 -9.921 -7.687 4.639 1.00 0.00 N ATOM 284 CZ ARG A 16 -9.023 -8.640 4.633 1.00 0.00 C ATOM 285 NH1 ARG A 16 -8.222 -8.789 3.616 1.00 0.00 N ATOM 286 NH2 ARG A 16 -8.944 -9.462 5.644 1.00 0.00 N ATOM 0 H ARG A 16 -8.048 -3.490 0.407 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.333 -4.791 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.592 -4.227 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.025 -4.175 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.248 -6.568 2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.886 -6.448 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.659 -5.861 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.444 -7.144 2.643 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.578 -7.626 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.291 -8.160 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.526 -9.534 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.580 -9.361 6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.246 -10.206 5.643 1.00 0.00 H new ATOM 300 N SER A 17 -10.471 -2.364 3.139 1.00 0.00 N ATOM 301 CA SER A 17 -10.888 -0.951 3.358 1.00 0.00 C ATOM 302 C SER A 17 -9.651 -0.052 3.377 1.00 0.00 C ATOM 303 O SER A 17 -8.538 -0.512 3.533 1.00 0.00 O ATOM 304 CB SER A 17 -11.622 -0.836 4.695 1.00 0.00 C ATOM 305 OG SER A 17 -10.780 -1.311 5.737 1.00 0.00 O ATOM 0 H SER A 17 -10.708 -3.009 3.893 1.00 0.00 H new ATOM 0 HA SER A 17 -11.552 -0.640 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.901 0.201 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.546 -1.414 4.667 1.00 0.00 H new ATOM 0 HG SER A 17 -11.248 -1.237 6.595 1.00 0.00 H new ATOM 311 N LEU A 18 -9.835 1.229 3.219 1.00 0.00 N ATOM 312 CA LEU A 18 -8.675 2.149 3.230 1.00 0.00 C ATOM 313 C LEU A 18 -8.095 2.201 4.643 1.00 0.00 C ATOM 314 O LEU A 18 -6.896 2.271 4.830 1.00 0.00 O ATOM 315 CB LEU A 18 -9.133 3.550 2.813 1.00 0.00 C ATOM 316 CG LEU A 18 -9.854 3.514 1.448 1.00 0.00 C ATOM 317 CD1 LEU A 18 -9.013 2.745 0.422 1.00 0.00 C ATOM 318 CD2 LEU A 18 -11.254 2.868 1.563 1.00 0.00 C ATOM 0 H LEU A 18 -10.742 1.675 3.083 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.915 1.795 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.802 3.958 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.272 4.216 2.756 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.980 4.544 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.534 2.728 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.048 3.236 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.859 1.724 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.732 2.860 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.154 1.845 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.864 3.443 2.260 1.00 0.00 H new ATOM 330 N GLU A 19 -8.933 2.158 5.643 1.00 0.00 N ATOM 331 CA GLU A 19 -8.422 2.197 7.040 1.00 0.00 C ATOM 332 C GLU A 19 -7.670 0.900 7.328 1.00 0.00 C ATOM 333 O GLU A 19 -6.775 0.857 8.151 1.00 0.00 O ATOM 334 CB GLU A 19 -9.593 2.347 8.013 1.00 0.00 C ATOM 335 CG GLU A 19 -10.381 3.613 7.673 1.00 0.00 C ATOM 336 CD GLU A 19 -9.532 4.845 7.998 1.00 0.00 C ATOM 337 OE1 GLU A 19 -8.885 4.838 9.032 1.00 0.00 O ATOM 338 OE2 GLU A 19 -9.544 5.773 7.206 1.00 0.00 O ATOM 0 H GLU A 19 -9.947 2.098 5.552 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.750 3.046 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.243 1.474 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.224 2.400 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.652 3.613 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.311 3.639 8.241 1.00 0.00 H new ATOM 345 N THR A 20 -8.007 -0.156 6.644 1.00 0.00 N ATOM 346 CA THR A 20 -7.287 -1.433 6.873 1.00 0.00 C ATOM 347 C THR A 20 -5.847 -1.244 6.396 1.00 0.00 C ATOM 348 O THR A 20 -4.912 -1.732 6.999 1.00 0.00 O ATOM 349 CB THR A 20 -7.972 -2.560 6.086 1.00 0.00 C ATOM 350 OG1 THR A 20 -9.194 -2.901 6.725 1.00 0.00 O ATOM 351 CG2 THR A 20 -7.067 -3.794 6.030 1.00 0.00 C ATOM 0 H THR A 20 -8.745 -0.189 5.941 1.00 0.00 H new ATOM 0 HA THR A 20 -7.299 -1.703 7.929 1.00 0.00 H new ATOM 0 HB THR A 20 -8.166 -2.217 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.943 -2.507 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.565 -4.585 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.129 -3.535 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.862 -4.141 7.043 1.00 0.00 H new ATOM 359 N VAL A 21 -5.662 -0.511 5.330 1.00 0.00 N ATOM 360 CA VAL A 21 -4.283 -0.264 4.834 1.00 0.00 C ATOM 361 C VAL A 21 -3.539 0.592 5.866 1.00 0.00 C ATOM 362 O VAL A 21 -2.361 0.410 6.098 1.00 0.00 O ATOM 363 CB VAL A 21 -4.335 0.465 3.482 1.00 0.00 C ATOM 364 CG1 VAL A 21 -2.960 1.057 3.148 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.731 -0.529 2.385 1.00 0.00 C ATOM 0 H VAL A 21 -6.406 -0.075 4.785 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.762 -1.211 4.695 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.068 1.269 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.009 1.571 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.670 1.765 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.223 0.256 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.769 -0.015 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.995 -1.332 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.711 -0.949 2.611 1.00 0.00 H new ATOM 375 N ARG A 22 -4.211 1.521 6.499 1.00 0.00 N ATOM 376 CA ARG A 22 -3.510 2.358 7.514 1.00 0.00 C ATOM 377 C ARG A 22 -2.812 1.428 8.505 1.00 0.00 C ATOM 378 O ARG A 22 -1.705 1.680 8.938 1.00 0.00 O ATOM 379 CB ARG A 22 -4.520 3.245 8.256 1.00 0.00 C ATOM 380 CG ARG A 22 -5.112 4.298 7.299 1.00 0.00 C ATOM 381 CD ARG A 22 -4.206 5.538 7.236 1.00 0.00 C ATOM 382 NE ARG A 22 -4.506 6.430 8.390 1.00 0.00 N ATOM 383 CZ ARG A 22 -3.678 7.388 8.706 1.00 0.00 C ATOM 384 NH1 ARG A 22 -2.590 7.565 8.007 1.00 0.00 N ATOM 385 NH2 ARG A 22 -3.937 8.168 9.720 1.00 0.00 N ATOM 0 H ARG A 22 -5.199 1.732 6.359 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.780 3.002 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.319 2.630 8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.032 3.740 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.223 3.871 6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.108 4.585 7.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.158 5.238 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.366 6.071 6.299 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.358 6.292 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.388 6.955 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.942 8.313 8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.787 8.029 10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.289 8.916 9.966 1.00 0.00 H new ATOM 399 N ARG A 23 -3.444 0.337 8.846 1.00 0.00 N ATOM 400 CA ARG A 23 -2.808 -0.624 9.781 1.00 0.00 C ATOM 401 C ARG A 23 -1.604 -1.243 9.077 1.00 0.00 C ATOM 402 O ARG A 23 -0.548 -1.411 9.651 1.00 0.00 O ATOM 403 CB ARG A 23 -3.808 -1.723 10.152 1.00 0.00 C ATOM 404 CG ARG A 23 -5.163 -1.091 10.474 1.00 0.00 C ATOM 405 CD ARG A 23 -6.145 -2.185 10.895 1.00 0.00 C ATOM 406 NE ARG A 23 -6.055 -3.331 9.949 1.00 0.00 N ATOM 407 CZ ARG A 23 -6.563 -4.488 10.275 1.00 0.00 C ATOM 408 NH1 ARG A 23 -7.146 -4.640 11.432 1.00 0.00 N ATOM 409 NH2 ARG A 23 -6.487 -5.492 9.444 1.00 0.00 N ATOM 0 H ARG A 23 -4.372 0.073 8.516 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.494 -0.114 10.692 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.911 -2.429 9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.444 -2.286 11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.054 -0.357 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.545 -0.559 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.920 -2.519 11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.161 -1.790 10.907 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.596 -3.212 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.204 -3.855 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.543 -5.544 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.030 -5.372 8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.884 -6.396 9.699 1.00 0.00 H new ATOM 423 N TRP A 24 -1.765 -1.581 7.827 1.00 0.00 N ATOM 424 CA TRP A 24 -0.640 -2.187 7.070 1.00 0.00 C ATOM 425 C TRP A 24 0.566 -1.248 7.114 1.00 0.00 C ATOM 426 O TRP A 24 1.648 -1.631 7.509 1.00 0.00 O ATOM 427 CB TRP A 24 -1.052 -2.409 5.612 1.00 0.00 C ATOM 428 CG TRP A 24 -2.231 -3.335 5.527 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.843 -3.946 6.573 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.945 -3.764 4.333 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.882 -4.722 6.089 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.984 -4.642 4.715 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.789 -3.476 2.968 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.839 -5.216 3.772 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.646 -4.050 2.016 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.669 -4.920 2.418 1.00 0.00 C ATOM 0 H TRP A 24 -2.629 -1.462 7.299 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.380 -3.144 7.522 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.300 -1.454 5.150 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -0.215 -2.826 5.052 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.565 -3.844 7.612 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.497 -5.285 6.676 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -2.003 -2.808 2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.626 -5.884 4.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.517 -3.820 0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.325 -5.361 1.682 1.00 0.00 H new ATOM 447 N VAL A 25 0.386 -0.022 6.707 1.00 0.00 N ATOM 448 CA VAL A 25 1.525 0.938 6.724 1.00 0.00 C ATOM 449 C VAL A 25 2.054 1.066 8.152 1.00 0.00 C ATOM 450 O VAL A 25 3.161 1.515 8.378 1.00 0.00 O ATOM 451 CB VAL A 25 1.050 2.307 6.232 1.00 0.00 C ATOM 452 CG1 VAL A 25 2.236 3.272 6.185 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.453 2.165 4.829 1.00 0.00 C ATOM 0 H VAL A 25 -0.497 0.356 6.364 1.00 0.00 H new ATOM 0 HA VAL A 25 2.318 0.575 6.070 1.00 0.00 H new ATOM 0 HB VAL A 25 0.292 2.695 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.898 4.247 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.663 3.373 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.994 2.884 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.114 3.140 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.211 1.777 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.392 1.477 4.861 1.00 0.00 H new ATOM 463 N ARG A 26 1.276 0.665 9.121 1.00 0.00 N ATOM 464 CA ARG A 26 1.742 0.755 10.532 1.00 0.00 C ATOM 465 C ARG A 26 2.778 -0.345 10.772 1.00 0.00 C ATOM 466 O ARG A 26 3.820 -0.119 11.357 1.00 0.00 O ATOM 467 CB ARG A 26 0.535 0.576 11.478 1.00 0.00 C ATOM 468 CG ARG A 26 0.794 1.238 12.848 1.00 0.00 C ATOM 469 CD ARG A 26 1.589 0.293 13.755 1.00 0.00 C ATOM 470 NE ARG A 26 0.849 -0.991 13.910 1.00 0.00 N ATOM 471 CZ ARG A 26 1.455 -2.040 14.395 1.00 0.00 C ATOM 472 NH1 ARG A 26 2.711 -1.967 14.741 1.00 0.00 N ATOM 473 NH2 ARG A 26 0.803 -3.163 14.534 1.00 0.00 N ATOM 0 H ARG A 26 0.340 0.280 8.996 1.00 0.00 H new ATOM 0 HA ARG A 26 2.195 1.727 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.354 1.012 11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.333 -0.486 11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.344 2.169 12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.154 1.494 13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.575 0.107 13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.745 0.754 14.730 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.132 -1.050 13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.220 -1.090 14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.184 -2.787 15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.179 -3.219 14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.276 -3.984 14.913 1.00 0.00 H new ATOM 487 N GLU A 27 2.505 -1.534 10.309 1.00 0.00 N ATOM 488 CA GLU A 27 3.475 -2.649 10.495 1.00 0.00 C ATOM 489 C GLU A 27 4.600 -2.507 9.468 1.00 0.00 C ATOM 490 O GLU A 27 5.569 -3.239 9.485 1.00 0.00 O ATOM 491 CB GLU A 27 2.763 -3.988 10.290 1.00 0.00 C ATOM 492 CG GLU A 27 1.572 -4.086 11.246 1.00 0.00 C ATOM 493 CD GLU A 27 0.952 -5.481 11.151 1.00 0.00 C ATOM 494 OE1 GLU A 27 1.676 -6.407 10.821 1.00 0.00 O ATOM 495 OE2 GLU A 27 -0.234 -5.600 11.410 1.00 0.00 O ATOM 0 H GLU A 27 1.651 -1.781 9.809 1.00 0.00 H new ATOM 0 HA GLU A 27 3.888 -2.613 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.423 -4.077 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.455 -4.811 10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.896 -3.890 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.829 -3.329 10.996 1.00 0.00 H new ATOM 502 N SER A 28 4.473 -1.564 8.573 1.00 0.00 N ATOM 503 CA SER A 28 5.528 -1.359 7.542 1.00 0.00 C ATOM 504 C SER A 28 5.720 -2.640 6.725 1.00 0.00 C ATOM 505 O SER A 28 6.830 -3.073 6.488 1.00 0.00 O ATOM 506 CB SER A 28 6.842 -0.984 8.227 1.00 0.00 C ATOM 507 OG SER A 28 7.720 -0.403 7.271 1.00 0.00 O ATOM 0 H SER A 28 3.680 -0.925 8.513 1.00 0.00 H new ATOM 0 HA SER A 28 5.223 -0.555 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.655 -0.282 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.301 -1.869 8.669 1.00 0.00 H new ATOM 0 HG SER A 28 7.879 -1.040 6.543 1.00 0.00 H new ATOM 513 N ARG A 29 4.649 -3.248 6.285 1.00 0.00 N ATOM 514 CA ARG A 29 4.777 -4.495 5.475 1.00 0.00 C ATOM 515 C ARG A 29 4.888 -4.118 3.995 1.00 0.00 C ATOM 516 O ARG A 29 5.417 -4.861 3.194 1.00 0.00 O ATOM 517 CB ARG A 29 3.546 -5.382 5.697 1.00 0.00 C ATOM 518 CG ARG A 29 2.291 -4.510 5.783 1.00 0.00 C ATOM 519 CD ARG A 29 1.047 -5.393 5.640 1.00 0.00 C ATOM 520 NE ARG A 29 1.284 -6.699 6.317 1.00 0.00 N ATOM 521 CZ ARG A 29 0.279 -7.486 6.586 1.00 0.00 C ATOM 522 NH1 ARG A 29 -0.935 -7.130 6.263 1.00 0.00 N ATOM 523 NH2 ARG A 29 0.487 -8.629 7.179 1.00 0.00 N ATOM 0 H ARG A 29 3.693 -2.935 6.452 1.00 0.00 H new ATOM 0 HA ARG A 29 5.668 -5.044 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.449 -6.097 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.663 -5.960 6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.267 -3.981 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.306 -3.754 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.182 -4.895 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.821 -5.553 4.586 1.00 0.00 H new ATOM 0 HE ARG A 29 2.232 -6.978 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.098 -6.236 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.720 -7.746 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.435 -8.907 7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.298 -9.245 7.390 1.00 0.00 H new ATOM 537 N ILE A 30 4.402 -2.960 3.632 1.00 0.00 N ATOM 538 CA ILE A 30 4.484 -2.514 2.208 1.00 0.00 C ATOM 539 C ILE A 30 5.732 -1.652 2.033 1.00 0.00 C ATOM 540 O ILE A 30 6.290 -1.159 2.993 1.00 0.00 O ATOM 541 CB ILE A 30 3.244 -1.681 1.866 1.00 0.00 C ATOM 542 CG1 ILE A 30 2.017 -2.594 1.841 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.422 -1.018 0.494 1.00 0.00 C ATOM 544 CD1 ILE A 30 0.747 -1.749 1.726 1.00 0.00 C ATOM 0 H ILE A 30 3.949 -2.300 4.264 1.00 0.00 H new ATOM 0 HA ILE A 30 4.534 -3.381 1.549 1.00 0.00 H new ATOM 0 HB ILE A 30 3.109 -0.905 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.083 -3.285 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.983 -3.198 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.537 -0.428 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.297 -0.368 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.559 -1.787 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.125 -2.403 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.679 -1.076 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.781 -1.165 0.806 1.00 0.00 H new ATOM 556 N PHE A 31 6.177 -1.450 0.821 1.00 0.00 N ATOM 557 CA PHE A 31 7.388 -0.597 0.631 1.00 0.00 C ATOM 558 C PHE A 31 7.549 -0.224 -0.859 1.00 0.00 C ATOM 559 O PHE A 31 7.197 -0.998 -1.726 1.00 0.00 O ATOM 560 CB PHE A 31 8.627 -1.363 1.147 1.00 0.00 C ATOM 561 CG PHE A 31 9.208 -2.259 0.067 1.00 0.00 C ATOM 562 CD1 PHE A 31 8.481 -3.362 -0.397 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.477 -1.987 -0.466 1.00 0.00 C ATOM 564 CE1 PHE A 31 9.021 -4.191 -1.391 1.00 0.00 C ATOM 565 CE2 PHE A 31 11.015 -2.816 -1.458 1.00 0.00 C ATOM 566 CZ PHE A 31 10.287 -3.917 -1.919 1.00 0.00 C ATOM 0 H PHE A 31 5.764 -1.830 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 31 7.281 0.329 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.384 -0.653 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.351 -1.965 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.504 -3.575 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.040 -1.137 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.459 -5.041 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.992 -2.605 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.703 -4.557 -2.684 1.00 0.00 H new ATOM 576 N PRO A 32 8.081 0.948 -1.167 1.00 0.00 N ATOM 577 CA PRO A 32 8.541 1.963 -0.165 1.00 0.00 C ATOM 578 C PRO A 32 7.356 2.780 0.394 1.00 0.00 C ATOM 579 O PRO A 32 6.426 3.077 -0.329 1.00 0.00 O ATOM 580 CB PRO A 32 9.471 2.862 -0.987 1.00 0.00 C ATOM 581 CG PRO A 32 8.899 2.829 -2.367 1.00 0.00 C ATOM 582 CD PRO A 32 8.298 1.428 -2.546 1.00 0.00 C ATOM 0 HA PRO A 32 9.022 1.512 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.494 3.877 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.496 2.491 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.137 3.599 -2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.670 3.020 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.364 1.464 -3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.974 0.772 -3.094 1.00 0.00 H new ATOM 590 N PRO A 33 7.374 3.149 1.658 1.00 0.00 N ATOM 591 CA PRO A 33 6.265 3.946 2.261 1.00 0.00 C ATOM 592 C PRO A 33 5.757 5.044 1.306 1.00 0.00 C ATOM 593 O PRO A 33 6.482 5.496 0.442 1.00 0.00 O ATOM 594 CB PRO A 33 6.915 4.563 3.502 1.00 0.00 C ATOM 595 CG PRO A 33 7.949 3.568 3.929 1.00 0.00 C ATOM 596 CD PRO A 33 8.430 2.861 2.650 1.00 0.00 C ATOM 0 HA PRO A 33 5.388 3.338 2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.366 5.528 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.181 4.733 4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.779 4.063 4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.529 2.851 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.398 3.243 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.547 1.789 2.807 1.00 0.00 H new ATOM 604 N PRO A 34 4.526 5.477 1.459 1.00 0.00 N ATOM 605 CA PRO A 34 3.941 6.544 0.591 1.00 0.00 C ATOM 606 C PRO A 34 4.449 7.939 0.974 1.00 0.00 C ATOM 607 O PRO A 34 5.129 8.112 1.967 1.00 0.00 O ATOM 608 CB PRO A 34 2.436 6.426 0.855 1.00 0.00 C ATOM 609 CG PRO A 34 2.345 5.933 2.263 1.00 0.00 C ATOM 610 CD PRO A 34 3.552 5.009 2.466 1.00 0.00 C ATOM 0 HA PRO A 34 4.212 6.420 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.935 7.387 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.963 5.732 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.366 6.763 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.411 5.397 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.952 5.089 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.286 3.963 2.310 1.00 0.00 H new ATOM 618 N VAL A 35 4.120 8.934 0.196 1.00 0.00 N ATOM 619 CA VAL A 35 4.574 10.320 0.514 1.00 0.00 C ATOM 620 C VAL A 35 3.567 10.978 1.457 1.00 0.00 C ATOM 621 O VAL A 35 2.429 11.203 1.100 1.00 0.00 O ATOM 622 CB VAL A 35 4.661 11.134 -0.783 1.00 0.00 C ATOM 623 CG1 VAL A 35 4.899 12.612 -0.456 1.00 0.00 C ATOM 624 CG2 VAL A 35 5.820 10.609 -1.634 1.00 0.00 C ATOM 0 H VAL A 35 3.555 8.848 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 35 5.553 10.285 0.991 1.00 0.00 H new ATOM 0 HB VAL A 35 3.725 11.035 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.960 13.184 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.074 12.988 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.832 12.717 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.884 11.186 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.753 10.707 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.649 9.559 -1.873 1.00 0.00 H new ATOM 634 N LYS A 36 3.973 11.299 2.655 1.00 0.00 N ATOM 635 CA LYS A 36 3.038 11.948 3.603 1.00 0.00 C ATOM 636 C LYS A 36 2.832 13.403 3.165 1.00 0.00 C ATOM 637 O LYS A 36 3.359 14.327 3.755 1.00 0.00 O ATOM 638 CB LYS A 36 3.632 11.893 5.026 1.00 0.00 C ATOM 639 CG LYS A 36 4.432 10.580 5.234 1.00 0.00 C ATOM 640 CD LYS A 36 5.935 10.835 5.035 1.00 0.00 C ATOM 641 CE LYS A 36 6.668 9.501 4.881 1.00 0.00 C ATOM 642 NZ LYS A 36 6.574 8.733 6.154 1.00 0.00 N ATOM 0 H LYS A 36 4.914 11.138 3.014 1.00 0.00 H new ATOM 0 HA LYS A 36 2.078 11.431 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.284 12.752 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.831 11.958 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.252 10.191 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.088 9.821 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.095 11.453 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.336 11.385 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.232 8.926 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.713 9.675 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.208 7.910 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.852 9.343 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.595 8.409 6.293 1.00 0.00 H new ATOM 656 N ASP A 37 2.083 13.607 2.117 1.00 0.00 N ATOM 657 CA ASP A 37 1.852 14.992 1.619 1.00 0.00 C ATOM 658 C ASP A 37 1.077 15.804 2.666 1.00 0.00 C ATOM 659 O ASP A 37 -0.053 16.200 2.454 1.00 0.00 O ATOM 660 CB ASP A 37 1.065 14.935 0.295 1.00 0.00 C ATOM 661 CG ASP A 37 1.419 13.652 -0.457 1.00 0.00 C ATOM 662 OD1 ASP A 37 0.934 12.606 -0.058 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.164 13.737 -1.419 1.00 0.00 O ATOM 0 H ASP A 37 1.620 12.872 1.583 1.00 0.00 H new ATOM 0 HA ASP A 37 2.811 15.480 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.006 14.967 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.301 15.805 -0.318 1.00 0.00 H new ATOM 668 N GLY A 38 1.679 16.062 3.793 1.00 0.00 N ATOM 669 CA GLY A 38 0.984 16.853 4.847 1.00 0.00 C ATOM 670 C GLY A 38 -0.144 16.024 5.461 1.00 0.00 C ATOM 671 O GLY A 38 -0.233 15.879 6.664 1.00 0.00 O ATOM 0 H GLY A 38 2.624 15.759 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.694 17.147 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.581 17.771 4.419 1.00 0.00 H new ATOM 675 N ARG A 39 -1.014 15.480 4.648 1.00 0.00 N ATOM 676 CA ARG A 39 -2.145 14.665 5.195 1.00 0.00 C ATOM 677 C ARG A 39 -2.492 13.523 4.233 1.00 0.00 C ATOM 678 O ARG A 39 -3.024 12.508 4.635 1.00 0.00 O ATOM 679 CB ARG A 39 -3.375 15.559 5.376 1.00 0.00 C ATOM 680 CG ARG A 39 -2.976 16.839 6.118 1.00 0.00 C ATOM 681 CD ARG A 39 -4.232 17.639 6.472 1.00 0.00 C ATOM 682 NE ARG A 39 -4.908 17.008 7.640 1.00 0.00 N ATOM 683 CZ ARG A 39 -5.817 17.669 8.304 1.00 0.00 C ATOM 684 NH1 ARG A 39 -6.136 18.882 7.942 1.00 0.00 N ATOM 685 NH2 ARG A 39 -6.407 17.118 9.328 1.00 0.00 N ATOM 0 H ARG A 39 -0.992 15.564 3.632 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.844 14.245 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.802 15.808 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.144 15.027 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.424 16.589 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.313 17.440 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.966 18.670 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.909 17.670 5.619 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.661 16.059 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.675 19.313 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.846 19.399 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.158 16.170 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.117 17.635 9.846 1.00 0.00 H new ATOM 699 N GLU A 40 -2.205 13.674 2.966 1.00 0.00 N ATOM 700 CA GLU A 40 -2.533 12.588 1.993 1.00 0.00 C ATOM 701 C GLU A 40 -1.385 11.581 1.929 1.00 0.00 C ATOM 702 O GLU A 40 -0.374 11.722 2.589 1.00 0.00 O ATOM 703 CB GLU A 40 -2.770 13.199 0.596 1.00 0.00 C ATOM 704 CG GLU A 40 -4.254 13.521 0.415 1.00 0.00 C ATOM 705 CD GLU A 40 -4.440 14.438 -0.796 1.00 0.00 C ATOM 706 OE1 GLU A 40 -3.485 14.609 -1.536 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.533 14.954 -0.961 1.00 0.00 O ATOM 0 H GLU A 40 -1.759 14.499 2.564 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.437 12.075 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.175 14.105 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.443 12.502 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.821 12.601 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.643 14.004 1.312 1.00 0.00 H new ATOM 714 N TYR A 41 -1.548 10.560 1.131 1.00 0.00 N ATOM 715 CA TYR A 41 -0.485 9.520 1.004 1.00 0.00 C ATOM 716 C TYR A 41 -0.434 9.015 -0.437 1.00 0.00 C ATOM 717 O TYR A 41 -1.302 8.294 -0.885 1.00 0.00 O ATOM 718 CB TYR A 41 -0.807 8.353 1.943 1.00 0.00 C ATOM 719 CG TYR A 41 -0.574 8.781 3.374 1.00 0.00 C ATOM 720 CD1 TYR A 41 0.722 9.097 3.806 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.649 8.865 4.268 1.00 0.00 C ATOM 722 CE1 TYR A 41 0.940 9.496 5.129 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.429 9.265 5.593 1.00 0.00 C ATOM 724 CZ TYR A 41 -0.134 9.582 6.023 1.00 0.00 C ATOM 725 OH TYR A 41 0.081 9.976 7.327 1.00 0.00 O ATOM 0 H TYR A 41 -2.377 10.400 0.558 1.00 0.00 H new ATOM 0 HA TYR A 41 0.481 9.950 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.842 8.039 1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.180 7.494 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.552 9.032 3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.648 8.621 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.939 9.738 5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.258 9.329 6.283 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.771 9.983 7.811 1.00 0.00 H new ATOM 735 N LEU A 42 0.586 9.383 -1.166 1.00 0.00 N ATOM 736 CA LEU A 42 0.704 8.919 -2.578 1.00 0.00 C ATOM 737 C LEU A 42 1.400 7.559 -2.598 1.00 0.00 C ATOM 738 O LEU A 42 2.468 7.388 -2.045 1.00 0.00 O ATOM 739 CB LEU A 42 1.530 9.925 -3.385 1.00 0.00 C ATOM 740 CG LEU A 42 0.954 11.334 -3.207 1.00 0.00 C ATOM 741 CD1 LEU A 42 1.883 12.349 -3.876 1.00 0.00 C ATOM 742 CD2 LEU A 42 -0.441 11.415 -3.846 1.00 0.00 C ATOM 0 H LEU A 42 1.343 9.986 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.289 8.834 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.569 9.903 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.524 9.651 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 42 0.872 11.557 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.476 13.352 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.870 12.298 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.966 12.121 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.843 12.420 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.368 11.189 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.103 10.694 -3.367 1.00 0.00 H new ATOM 754 N PHE A 43 0.800 6.585 -3.226 1.00 0.00 N ATOM 755 CA PHE A 43 1.419 5.228 -3.280 1.00 0.00 C ATOM 756 C PHE A 43 2.268 5.116 -4.549 1.00 0.00 C ATOM 757 O PHE A 43 1.793 4.722 -5.597 1.00 0.00 O ATOM 758 CB PHE A 43 0.298 4.169 -3.289 1.00 0.00 C ATOM 759 CG PHE A 43 -0.039 3.766 -1.868 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.758 4.642 -1.042 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.385 2.526 -1.372 1.00 0.00 C ATOM 762 CE1 PHE A 43 -1.049 4.276 0.277 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.087 2.162 -0.054 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.628 3.036 0.770 1.00 0.00 C ATOM 0 H PHE A 43 -0.096 6.670 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 43 2.057 5.066 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.588 4.568 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.615 3.296 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.087 5.598 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.941 1.852 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.599 4.951 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.410 1.204 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.856 2.754 1.787 1.00 0.00 H new ATOM 774 N HIS A 44 3.524 5.460 -4.459 1.00 0.00 N ATOM 775 CA HIS A 44 4.411 5.375 -5.651 1.00 0.00 C ATOM 776 C HIS A 44 4.238 4.011 -6.320 1.00 0.00 C ATOM 777 O HIS A 44 4.140 2.995 -5.663 1.00 0.00 O ATOM 778 CB HIS A 44 5.868 5.546 -5.209 1.00 0.00 C ATOM 779 CG HIS A 44 6.732 5.820 -6.409 1.00 0.00 C ATOM 780 ND1 HIS A 44 6.251 5.727 -7.705 1.00 0.00 N ATOM 781 CD2 HIS A 44 8.052 6.185 -6.525 1.00 0.00 C ATOM 782 CE1 HIS A 44 7.265 6.030 -8.537 1.00 0.00 C ATOM 783 NE2 HIS A 44 8.385 6.317 -7.869 1.00 0.00 N ATOM 0 H HIS A 44 3.974 5.797 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 44 4.148 6.161 -6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.948 6.367 -4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.212 4.646 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.728 6.345 -5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.183 6.040 -9.614 1.00 0.00 H new ATOM 0 HE2 HIS A 44 9.290 6.577 -8.260 1.00 0.00 H new ATOM 791 N GLU A 45 4.197 3.983 -7.625 1.00 0.00 N ATOM 792 CA GLU A 45 4.029 2.686 -8.342 1.00 0.00 C ATOM 793 C GLU A 45 4.988 1.650 -7.747 1.00 0.00 C ATOM 794 O GLU A 45 4.786 0.457 -7.863 1.00 0.00 O ATOM 795 CB GLU A 45 4.334 2.883 -9.839 1.00 0.00 C ATOM 796 CG GLU A 45 3.947 4.306 -10.259 1.00 0.00 C ATOM 797 CD GLU A 45 3.824 4.379 -11.783 1.00 0.00 C ATOM 798 OE1 GLU A 45 3.172 3.517 -12.348 1.00 0.00 O ATOM 799 OE2 GLU A 45 4.384 5.297 -12.359 1.00 0.00 O ATOM 0 H GLU A 45 4.273 4.803 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 45 3.003 2.334 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.393 2.712 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.781 2.155 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.002 4.588 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.698 5.015 -9.911 1.00 0.00 H new ATOM 806 N SER A 46 6.031 2.104 -7.113 1.00 0.00 N ATOM 807 CA SER A 46 7.008 1.156 -6.510 1.00 0.00 C ATOM 808 C SER A 46 6.392 0.489 -5.276 1.00 0.00 C ATOM 809 O SER A 46 6.926 -0.466 -4.750 1.00 0.00 O ATOM 810 CB SER A 46 8.272 1.918 -6.104 1.00 0.00 C ATOM 811 OG SER A 46 9.031 2.222 -7.267 1.00 0.00 O ATOM 0 H SER A 46 6.250 3.092 -6.986 1.00 0.00 H new ATOM 0 HA SER A 46 7.263 0.389 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.005 2.836 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.866 1.319 -5.414 1.00 0.00 H new ATOM 0 HG SER A 46 9.840 2.712 -7.011 1.00 0.00 H new ATOM 817 N ALA A 47 5.272 0.976 -4.808 1.00 0.00 N ATOM 818 CA ALA A 47 4.644 0.351 -3.614 1.00 0.00 C ATOM 819 C ALA A 47 4.177 -1.052 -3.984 1.00 0.00 C ATOM 820 O ALA A 47 3.604 -1.272 -5.032 1.00 0.00 O ATOM 821 CB ALA A 47 3.448 1.188 -3.156 1.00 0.00 C ATOM 0 H ALA A 47 4.771 1.773 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 47 5.369 0.300 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.993 0.724 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.784 2.193 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.714 1.244 -3.960 1.00 0.00 H new ATOM 827 N VAL A 48 4.424 -2.007 -3.133 1.00 0.00 N ATOM 828 CA VAL A 48 4.006 -3.402 -3.434 1.00 0.00 C ATOM 829 C VAL A 48 3.817 -4.162 -2.120 1.00 0.00 C ATOM 830 O VAL A 48 4.400 -3.821 -1.106 1.00 0.00 O ATOM 831 CB VAL A 48 5.102 -4.090 -4.246 1.00 0.00 C ATOM 832 CG1 VAL A 48 5.216 -3.439 -5.627 1.00 0.00 C ATOM 833 CG2 VAL A 48 6.431 -3.951 -3.502 1.00 0.00 C ATOM 0 H VAL A 48 4.899 -1.880 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 48 3.074 -3.392 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 48 4.855 -5.144 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.000 -3.935 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.266 -3.534 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.463 -2.384 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.221 -4.439 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.671 -2.895 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.350 -4.420 -2.521 1.00 0.00 H new ATOM 843 N LYS A 49 3.023 -5.198 -2.133 1.00 0.00 N ATOM 844 CA LYS A 49 2.812 -5.994 -0.892 1.00 0.00 C ATOM 845 C LYS A 49 3.964 -6.995 -0.748 1.00 0.00 C ATOM 846 O LYS A 49 4.238 -7.766 -1.646 1.00 0.00 O ATOM 847 CB LYS A 49 1.478 -6.753 -0.996 1.00 0.00 C ATOM 848 CG LYS A 49 0.305 -5.828 -0.621 1.00 0.00 C ATOM 849 CD LYS A 49 0.114 -5.790 0.913 1.00 0.00 C ATOM 850 CE LYS A 49 -0.878 -6.875 1.358 1.00 0.00 C ATOM 851 NZ LYS A 49 -0.668 -8.112 0.553 1.00 0.00 N ATOM 0 H LYS A 49 2.511 -5.527 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 49 2.784 -5.336 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.344 -7.128 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.492 -7.619 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.494 -4.822 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.610 -6.179 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.073 -5.940 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.251 -4.809 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.742 -7.092 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.901 -6.519 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.396 -8.814 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.735 -7.883 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.273 -8.504 0.758 1.00 0.00 H new ATOM 865 N VAL A 50 4.642 -6.994 0.370 1.00 0.00 N ATOM 866 CA VAL A 50 5.774 -7.953 0.555 1.00 0.00 C ATOM 867 C VAL A 50 5.225 -9.267 1.110 1.00 0.00 C ATOM 868 O VAL A 50 4.141 -9.315 1.652 1.00 0.00 O ATOM 869 CB VAL A 50 6.800 -7.379 1.540 1.00 0.00 C ATOM 870 CG1 VAL A 50 8.092 -8.198 1.469 1.00 0.00 C ATOM 871 CG2 VAL A 50 7.117 -5.921 1.186 1.00 0.00 C ATOM 0 H VAL A 50 4.463 -6.374 1.160 1.00 0.00 H new ATOM 0 HA VAL A 50 6.261 -8.123 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 50 6.383 -7.425 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.821 -7.790 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.880 -9.235 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.496 -8.153 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.846 -5.525 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.526 -5.872 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.204 -5.328 1.236 1.00 0.00 H new ATOM 881 N ASP A 51 5.972 -10.327 0.981 1.00 0.00 N ATOM 882 CA ASP A 51 5.512 -11.653 1.496 1.00 0.00 C ATOM 883 C ASP A 51 6.638 -12.678 1.312 1.00 0.00 C ATOM 884 O ASP A 51 6.778 -13.606 2.083 1.00 0.00 O ATOM 885 CB ASP A 51 4.264 -12.110 0.708 1.00 0.00 C ATOM 886 CG ASP A 51 2.986 -11.608 1.392 1.00 0.00 C ATOM 887 OD1 ASP A 51 2.703 -12.071 2.485 1.00 0.00 O ATOM 888 OD2 ASP A 51 2.317 -10.772 0.810 1.00 0.00 O ATOM 0 H ASP A 51 6.890 -10.335 0.537 1.00 0.00 H new ATOM 0 HA ASP A 51 5.258 -11.569 2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.311 -11.730 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.246 -13.198 0.642 1.00 0.00 H new ATOM 893 N LEU A 52 7.432 -12.521 0.289 1.00 0.00 N ATOM 894 CA LEU A 52 8.539 -13.489 0.044 1.00 0.00 C ATOM 895 C LEU A 52 9.607 -13.352 1.133 1.00 0.00 C ATOM 896 O LEU A 52 10.707 -13.850 0.998 1.00 0.00 O ATOM 897 CB LEU A 52 9.171 -13.211 -1.323 1.00 0.00 C ATOM 898 CG LEU A 52 8.074 -13.049 -2.381 1.00 0.00 C ATOM 899 CD1 LEU A 52 8.718 -12.727 -3.732 1.00 0.00 C ATOM 900 CD2 LEU A 52 7.268 -14.349 -2.494 1.00 0.00 C ATOM 0 H LEU A 52 7.362 -11.763 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 52 8.135 -14.501 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.779 -12.308 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.837 -14.029 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 52 7.407 -12.238 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.941 -12.611 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.287 -11.801 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.385 -13.539 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.489 -14.230 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.931 -15.164 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.810 -14.578 -1.532 1.00 0.00 H new ATOM 912 N ASN A 53 9.295 -12.689 2.212 1.00 0.00 N ATOM 913 CA ASN A 53 10.301 -12.535 3.301 1.00 0.00 C ATOM 914 C ASN A 53 10.771 -13.921 3.751 1.00 0.00 C ATOM 915 O ASN A 53 11.666 -14.050 4.563 1.00 0.00 O ATOM 916 CB ASN A 53 9.668 -11.799 4.483 1.00 0.00 C ATOM 917 CG ASN A 53 8.449 -12.577 4.979 1.00 0.00 C ATOM 918 OD1 ASN A 53 7.501 -12.775 4.246 1.00 0.00 O ATOM 919 ND2 ASN A 53 8.432 -13.029 6.204 1.00 0.00 N ATOM 0 H ASN A 53 8.392 -12.249 2.387 1.00 0.00 H new ATOM 0 HA ASN A 53 11.152 -11.961 2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.395 -11.690 5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.373 -10.794 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.623 -13.548 6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.228 -12.863 6.820 1.00 0.00 H new ATOM 926 N ARG A 54 10.173 -14.958 3.229 1.00 0.00 N ATOM 927 CA ARG A 54 10.584 -16.335 3.623 1.00 0.00 C ATOM 928 C ARG A 54 10.523 -16.470 5.148 1.00 0.00 C ATOM 929 O ARG A 54 11.539 -16.507 5.813 1.00 0.00 O ATOM 930 CB ARG A 54 12.019 -16.595 3.146 1.00 0.00 C ATOM 931 CG ARG A 54 12.362 -18.093 3.285 1.00 0.00 C ATOM 932 CD ARG A 54 11.923 -18.861 2.029 1.00 0.00 C ATOM 933 NE ARG A 54 12.963 -18.717 0.972 1.00 0.00 N ATOM 934 CZ ARG A 54 12.960 -19.519 -0.058 1.00 0.00 C ATOM 935 NH1 ARG A 54 12.046 -20.444 -0.163 1.00 0.00 N ATOM 936 NH2 ARG A 54 13.873 -19.395 -0.984 1.00 0.00 N ATOM 0 H ARG A 54 9.417 -14.910 2.546 1.00 0.00 H new ATOM 0 HA ARG A 54 9.910 -17.060 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.127 -16.284 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.719 -15.998 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.434 -18.215 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.867 -18.506 4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.774 -19.914 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.968 -18.477 1.670 1.00 0.00 H new ATOM 0 HE ARG A 54 13.677 -17.993 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.333 -20.541 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.044 -21.070 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.588 -18.672 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.871 -20.021 -1.789 1.00 0.00 H new ATOM 950 N PRO A 55 9.338 -16.541 5.696 1.00 0.00 N ATOM 951 CA PRO A 55 9.136 -16.672 7.166 1.00 0.00 C ATOM 952 C PRO A 55 9.258 -18.126 7.637 1.00 0.00 C ATOM 953 O PRO A 55 9.796 -18.928 6.891 1.00 0.00 O ATOM 954 CB PRO A 55 7.712 -16.149 7.362 1.00 0.00 C ATOM 955 CG PRO A 55 6.996 -16.519 6.098 1.00 0.00 C ATOM 956 CD PRO A 55 8.051 -16.503 4.976 1.00 0.00 C ATOM 957 OXT PRO A 55 8.809 -18.412 8.736 1.00 0.00 O ATOM 0 HA PRO A 55 9.885 -16.130 7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.239 -16.603 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.704 -15.071 7.521 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.538 -17.504 6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.194 -15.813 5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.940 -17.360 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.965 -15.608 4.360 1.00 0.00 H new TER 965 PRO A 55