USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 GLY N :NH3+ -122:sc= 0.0886 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.918 USER MOD Single : A 8 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.099) USER MOD Single : A 14 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.945 K(o=-0.95,f=-4.8!) USER MOD Single : A 31 SER OG : rot -55:sc= 0.088 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 57:sc= -2.55! USER MOD Single : A 46 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.045) USER MOD Single : A 47 SER OG : rot 180:sc= -0.04 USER MOD Single : A 52 THR OG1 : rot -170:sc= 0 USER MOD Single : A 54 MET CE :methyl -118:sc= -8.07! (180deg=-11.2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -148:sc= 0.177 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.0317 K(o=0.032,f=-1.4) USER MOD Single : A 81 SER OG : rot 49:sc= 0.0182 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot -120:sc= -0.142 USER MOD Single : A 91 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.17) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= 1.24 (180deg=0.323) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -62:sc= 0.156 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.460 -24.349 -2.763 1.00 0.00 N ATOM 2 CA GLY A 1 -24.039 -24.698 -3.041 1.00 0.00 C ATOM 3 C GLY A 1 -23.217 -23.494 -3.457 1.00 0.00 C ATOM 4 O GLY A 1 -23.726 -22.373 -3.507 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.700 -24.620 -1.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.595 -23.325 -2.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.079 -24.858 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.597 -25.146 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.000 -25.450 -3.829 1.00 0.00 H new ATOM 10 N SER A 2 -21.943 -23.724 -3.757 1.00 0.00 N ATOM 11 CA SER A 2 -21.048 -22.649 -4.171 1.00 0.00 C ATOM 12 C SER A 2 -20.917 -21.598 -3.073 1.00 0.00 C ATOM 13 O SER A 2 -21.592 -20.568 -3.103 1.00 0.00 O ATOM 14 CB SER A 2 -21.559 -21.999 -5.458 1.00 0.00 C ATOM 15 OG SER A 2 -20.483 -21.539 -6.258 1.00 0.00 O ATOM 0 H SER A 2 -21.507 -24.645 -3.721 1.00 0.00 H new ATOM 0 HA SER A 2 -20.064 -23.079 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.154 -22.718 -6.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.216 -21.165 -5.212 1.00 0.00 H new ATOM 0 HG SER A 2 -20.835 -21.129 -7.076 1.00 0.00 H new ATOM 21 N SER A 3 -20.043 -21.863 -2.107 1.00 0.00 N ATOM 22 CA SER A 3 -19.822 -20.939 -1.001 1.00 0.00 C ATOM 23 C SER A 3 -18.357 -20.524 -0.923 1.00 0.00 C ATOM 24 O SER A 3 -17.839 -20.239 0.157 1.00 0.00 O ATOM 25 CB SER A 3 -20.253 -21.581 0.319 1.00 0.00 C ATOM 26 OG SER A 3 -21.599 -22.018 0.260 1.00 0.00 O ATOM 0 H SER A 3 -19.476 -22.710 -2.068 1.00 0.00 H new ATOM 0 HA SER A 3 -20.424 -20.048 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.603 -22.426 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.136 -20.863 1.131 1.00 0.00 H new ATOM 0 HG SER A 3 -21.848 -22.426 1.116 1.00 0.00 H new ATOM 32 N GLY A 4 -17.694 -20.491 -2.075 1.00 0.00 N ATOM 33 CA GLY A 4 -16.295 -20.108 -2.115 1.00 0.00 C ATOM 34 C GLY A 4 -16.010 -19.063 -3.176 1.00 0.00 C ATOM 35 O GLY A 4 -14.915 -19.021 -3.737 1.00 0.00 O ATOM 0 H GLY A 4 -18.101 -20.723 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.999 -19.721 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.685 -20.991 -2.306 1.00 0.00 H new ATOM 39 N SER A 5 -16.998 -18.218 -3.451 1.00 0.00 N ATOM 40 CA SER A 5 -16.849 -17.168 -4.452 1.00 0.00 C ATOM 41 C SER A 5 -16.588 -17.765 -5.832 1.00 0.00 C ATOM 42 O SER A 5 -15.439 -17.998 -6.209 1.00 0.00 O ATOM 43 CB SER A 5 -15.711 -16.223 -4.067 1.00 0.00 C ATOM 44 OG SER A 5 -16.191 -15.127 -3.307 1.00 0.00 O ATOM 0 H SER A 5 -17.910 -18.240 -2.995 1.00 0.00 H new ATOM 0 HA SER A 5 -17.781 -16.603 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.961 -16.767 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.218 -15.857 -4.968 1.00 0.00 H new ATOM 0 HG SER A 5 -15.443 -14.539 -3.072 1.00 0.00 H new ATOM 50 N SER A 6 -17.659 -18.009 -6.579 1.00 0.00 N ATOM 51 CA SER A 6 -17.544 -18.579 -7.917 1.00 0.00 C ATOM 52 C SER A 6 -16.745 -17.659 -8.834 1.00 0.00 C ATOM 53 O SER A 6 -17.270 -16.676 -9.355 1.00 0.00 O ATOM 54 CB SER A 6 -18.933 -18.825 -8.509 1.00 0.00 C ATOM 55 OG SER A 6 -19.663 -17.615 -8.621 1.00 0.00 O ATOM 0 H SER A 6 -18.616 -17.821 -6.281 1.00 0.00 H new ATOM 0 HA SER A 6 -17.016 -19.529 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.836 -19.287 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.481 -19.527 -7.880 1.00 0.00 H new ATOM 0 HG SER A 6 -19.083 -16.916 -8.987 1.00 0.00 H new ATOM 61 N GLY A 7 -15.470 -17.984 -9.024 1.00 0.00 N ATOM 62 CA GLY A 7 -14.618 -17.178 -9.878 1.00 0.00 C ATOM 63 C GLY A 7 -13.250 -16.935 -9.271 1.00 0.00 C ATOM 64 O GLY A 7 -12.738 -15.816 -9.307 1.00 0.00 O ATOM 0 H GLY A 7 -15.012 -18.791 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.501 -17.674 -10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.102 -16.220 -10.069 1.00 0.00 H new ATOM 68 N ASN A 8 -12.658 -17.985 -8.712 1.00 0.00 N ATOM 69 CA ASN A 8 -11.341 -17.880 -8.095 1.00 0.00 C ATOM 70 C ASN A 8 -10.545 -19.167 -8.290 1.00 0.00 C ATOM 71 O ASN A 8 -9.726 -19.535 -7.448 1.00 0.00 O ATOM 72 CB ASN A 8 -11.479 -17.569 -6.602 1.00 0.00 C ATOM 73 CG ASN A 8 -10.574 -16.436 -6.163 1.00 0.00 C ATOM 74 OD1 ASN A 8 -11.037 -15.431 -5.621 1.00 0.00 O ATOM 75 ND2 ASN A 8 -9.276 -16.590 -6.393 1.00 0.00 N ATOM 0 H ASN A 8 -13.069 -18.918 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.802 -17.066 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.515 -17.310 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.244 -18.463 -6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.619 -15.860 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.935 -17.439 -6.845 1.00 0.00 H new ATOM 82 N GLU A 9 -10.792 -19.846 -9.405 1.00 0.00 N ATOM 83 CA GLU A 9 -10.100 -21.091 -9.712 1.00 0.00 C ATOM 84 C GLU A 9 -8.836 -20.826 -10.525 1.00 0.00 C ATOM 85 O GLU A 9 -7.866 -21.581 -10.447 1.00 0.00 O ATOM 86 CB GLU A 9 -11.025 -22.038 -10.479 1.00 0.00 C ATOM 87 CG GLU A 9 -10.923 -23.486 -10.028 1.00 0.00 C ATOM 88 CD GLU A 9 -12.183 -23.974 -9.341 1.00 0.00 C ATOM 89 OE1 GLU A 9 -12.384 -23.634 -8.156 1.00 0.00 O ATOM 90 OE2 GLU A 9 -12.971 -24.698 -9.988 1.00 0.00 O ATOM 0 H GLU A 9 -11.467 -19.554 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.813 -21.559 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.055 -21.701 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.790 -21.980 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.717 -24.118 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.078 -23.592 -9.347 1.00 0.00 H new ATOM 97 N GLU A 10 -8.854 -19.750 -11.305 1.00 0.00 N ATOM 98 CA GLU A 10 -7.710 -19.386 -12.132 1.00 0.00 C ATOM 99 C GLU A 10 -6.696 -18.573 -11.333 1.00 0.00 C ATOM 100 O GLU A 10 -5.487 -18.741 -11.495 1.00 0.00 O ATOM 101 CB GLU A 10 -8.171 -18.590 -13.354 1.00 0.00 C ATOM 102 CG GLU A 10 -9.199 -19.321 -14.204 1.00 0.00 C ATOM 103 CD GLU A 10 -10.525 -18.589 -14.276 1.00 0.00 C ATOM 104 OE1 GLU A 10 -10.888 -17.920 -13.285 1.00 0.00 O ATOM 105 OE2 GLU A 10 -11.201 -18.686 -15.321 1.00 0.00 O ATOM 0 H GLU A 10 -9.649 -19.115 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.228 -20.305 -12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.595 -17.642 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.304 -18.353 -13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.805 -19.451 -15.212 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.361 -20.318 -13.794 1.00 0.00 H new ATOM 112 N LEU A 11 -7.196 -17.693 -10.473 1.00 0.00 N ATOM 113 CA LEU A 11 -6.334 -16.853 -9.649 1.00 0.00 C ATOM 114 C LEU A 11 -5.662 -17.673 -8.552 1.00 0.00 C ATOM 115 O LEU A 11 -4.530 -17.392 -8.158 1.00 0.00 O ATOM 116 CB LEU A 11 -7.142 -15.712 -9.028 1.00 0.00 C ATOM 117 CG LEU A 11 -6.356 -14.423 -8.781 1.00 0.00 C ATOM 118 CD1 LEU A 11 -6.189 -13.644 -10.076 1.00 0.00 C ATOM 119 CD2 LEU A 11 -7.050 -13.571 -7.729 1.00 0.00 C ATOM 0 H LEU A 11 -8.194 -17.542 -10.328 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.558 -16.433 -10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.985 -15.486 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.556 -16.054 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.366 -14.688 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.628 -12.730 -9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.649 -14.254 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.170 -13.389 -10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.478 -12.658 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.052 -13.315 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.118 -14.129 -6.795 1.00 0.00 H new ATOM 131 N ARG A 12 -6.368 -18.687 -8.062 1.00 0.00 N ATOM 132 CA ARG A 12 -5.841 -19.549 -7.010 1.00 0.00 C ATOM 133 C ARG A 12 -4.546 -20.226 -7.451 1.00 0.00 C ATOM 134 O ARG A 12 -3.723 -20.611 -6.620 1.00 0.00 O ATOM 135 CB ARG A 12 -6.875 -20.607 -6.622 1.00 0.00 C ATOM 136 CG ARG A 12 -6.487 -21.415 -5.394 1.00 0.00 C ATOM 137 CD ARG A 12 -6.658 -22.908 -5.630 1.00 0.00 C ATOM 138 NE ARG A 12 -6.070 -23.702 -4.554 1.00 0.00 N ATOM 139 CZ ARG A 12 -6.658 -23.909 -3.378 1.00 0.00 C ATOM 140 NH1 ARG A 12 -7.849 -23.382 -3.122 1.00 0.00 N ATOM 141 NH2 ARG A 12 -6.053 -24.645 -2.455 1.00 0.00 N ATOM 0 H ARG A 12 -7.307 -18.932 -8.377 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.624 -18.925 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.831 -20.118 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.021 -21.286 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.450 -21.204 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.100 -21.107 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.719 -23.142 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.194 -23.181 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.155 -24.123 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.318 -22.815 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.295 -23.544 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.138 -25.052 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.503 -24.804 -1.554 1.00 0.00 H new ATOM 155 N ALA A 13 -4.371 -20.368 -8.761 1.00 0.00 N ATOM 156 CA ALA A 13 -3.175 -21.000 -9.308 1.00 0.00 C ATOM 157 C ALA A 13 -2.376 -20.025 -10.168 1.00 0.00 C ATOM 158 O ALA A 13 -1.578 -20.437 -11.010 1.00 0.00 O ATOM 159 CB ALA A 13 -3.554 -22.231 -10.118 1.00 0.00 C ATOM 0 H ALA A 13 -5.041 -20.054 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.544 -21.305 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.653 -22.693 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.072 -22.944 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.210 -21.939 -10.938 1.00 0.00 H new ATOM 165 N GLN A 14 -2.594 -18.730 -9.952 1.00 0.00 N ATOM 166 CA GLN A 14 -1.891 -17.700 -10.708 1.00 0.00 C ATOM 167 C GLN A 14 -0.963 -16.897 -9.802 1.00 0.00 C ATOM 168 O GLN A 14 0.072 -16.396 -10.243 1.00 0.00 O ATOM 169 CB GLN A 14 -2.892 -16.765 -11.388 1.00 0.00 C ATOM 170 CG GLN A 14 -2.331 -16.059 -12.612 1.00 0.00 C ATOM 171 CD GLN A 14 -1.625 -14.763 -12.264 1.00 0.00 C ATOM 172 OE1 GLN A 14 -2.050 -14.032 -11.371 1.00 0.00 O ATOM 173 NE2 GLN A 14 -0.539 -14.473 -12.972 1.00 0.00 N ATOM 0 H GLN A 14 -3.252 -18.370 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.288 -18.193 -11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.771 -17.339 -11.681 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.225 -16.017 -10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.633 -16.723 -13.122 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.142 -15.851 -13.310 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.222 -15.109 -13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.022 -13.614 -12.784 1.00 0.00 H new ATOM 182 N GLN A 15 -1.340 -16.776 -8.532 1.00 0.00 N ATOM 183 CA GLN A 15 -0.543 -16.034 -7.565 1.00 0.00 C ATOM 184 C GLN A 15 0.321 -16.975 -6.732 1.00 0.00 C ATOM 185 O GLN A 15 0.628 -16.691 -5.573 1.00 0.00 O ATOM 186 CB GLN A 15 -1.453 -15.214 -6.649 1.00 0.00 C ATOM 187 CG GLN A 15 -2.250 -14.146 -7.380 1.00 0.00 C ATOM 188 CD GLN A 15 -2.588 -12.963 -6.496 1.00 0.00 C ATOM 189 OE1 GLN A 15 -3.311 -13.096 -5.509 1.00 0.00 O ATOM 190 NE2 GLN A 15 -2.065 -11.793 -6.847 1.00 0.00 N ATOM 0 H GLN A 15 -2.194 -17.183 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 15 0.114 -15.360 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.144 -15.887 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.846 -14.739 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.680 -13.799 -8.242 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.172 -14.584 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.471 -11.727 -7.673 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.258 -10.960 -6.290 1.00 0.00 H new ATOM 199 N GLU A 16 0.712 -18.096 -7.329 1.00 0.00 N ATOM 200 CA GLU A 16 1.542 -19.079 -6.642 1.00 0.00 C ATOM 201 C GLU A 16 2.833 -19.332 -7.413 1.00 0.00 C ATOM 202 O GLU A 16 3.931 -19.135 -6.890 1.00 0.00 O ATOM 203 CB GLU A 16 0.776 -20.391 -6.465 1.00 0.00 C ATOM 204 CG GLU A 16 -0.445 -20.266 -5.567 1.00 0.00 C ATOM 205 CD GLU A 16 -0.602 -21.446 -4.628 1.00 0.00 C ATOM 206 OE1 GLU A 16 -1.115 -22.495 -5.073 1.00 0.00 O ATOM 207 OE2 GLU A 16 -0.210 -21.323 -3.449 1.00 0.00 O ATOM 0 H GLU A 16 0.467 -18.346 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 16 1.797 -18.680 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.461 -20.753 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.448 -21.141 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.369 -19.349 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.338 -20.177 -6.185 1.00 0.00 H new ATOM 214 N ALA A 17 2.695 -19.770 -8.661 1.00 0.00 N ATOM 215 CA ALA A 17 3.848 -20.048 -9.506 1.00 0.00 C ATOM 216 C ALA A 17 3.965 -19.024 -10.630 1.00 0.00 C ATOM 217 O ALA A 17 5.063 -18.726 -11.101 1.00 0.00 O ATOM 218 CB ALA A 17 3.754 -21.454 -10.080 1.00 0.00 C ATOM 0 H ALA A 17 1.794 -19.940 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 17 4.744 -19.977 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.622 -21.649 -10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.726 -22.178 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.846 -21.544 -10.676 1.00 0.00 H new ATOM 224 N GLU A 18 2.826 -18.488 -11.057 1.00 0.00 N ATOM 225 CA GLU A 18 2.801 -17.496 -12.126 1.00 0.00 C ATOM 226 C GLU A 18 3.223 -16.125 -11.608 1.00 0.00 C ATOM 227 O GLU A 18 3.960 -15.399 -12.275 1.00 0.00 O ATOM 228 CB GLU A 18 1.401 -17.414 -12.740 1.00 0.00 C ATOM 229 CG GLU A 18 1.202 -18.346 -13.925 1.00 0.00 C ATOM 230 CD GLU A 18 1.522 -17.680 -15.249 1.00 0.00 C ATOM 231 OE1 GLU A 18 2.550 -16.976 -15.327 1.00 0.00 O ATOM 232 OE2 GLU A 18 0.743 -17.864 -16.208 1.00 0.00 O ATOM 0 H GLU A 18 1.908 -18.724 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 18 3.510 -17.807 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.663 -17.651 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.212 -16.389 -13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.835 -19.225 -13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.170 -18.696 -13.938 1.00 0.00 H new ATOM 239 N ALA A 19 2.751 -15.775 -10.415 1.00 0.00 N ATOM 240 CA ALA A 19 3.082 -14.491 -9.811 1.00 0.00 C ATOM 241 C ALA A 19 4.234 -14.629 -8.823 1.00 0.00 C ATOM 242 O ALA A 19 4.262 -13.962 -7.788 1.00 0.00 O ATOM 243 CB ALA A 19 1.859 -13.904 -9.120 1.00 0.00 C ATOM 0 H ALA A 19 2.139 -16.363 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 19 3.399 -13.814 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.119 -12.945 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.063 -13.760 -9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.518 -14.587 -8.342 1.00 0.00 H new ATOM 249 N ALA A 20 5.185 -15.499 -9.147 1.00 0.00 N ATOM 250 CA ALA A 20 6.342 -15.725 -8.289 1.00 0.00 C ATOM 251 C ALA A 20 7.634 -15.320 -8.991 1.00 0.00 C ATOM 252 O ALA A 20 8.541 -14.766 -8.371 1.00 0.00 O ATOM 253 CB ALA A 20 6.404 -17.184 -7.862 1.00 0.00 C ATOM 0 H ALA A 20 5.177 -16.060 -9.999 1.00 0.00 H new ATOM 0 HA ALA A 20 6.233 -15.102 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.272 -17.339 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.498 -17.441 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.486 -17.818 -8.745 1.00 0.00 H new ATOM 259 N GLN A 21 7.710 -15.600 -10.288 1.00 0.00 N ATOM 260 CA GLN A 21 8.891 -15.264 -11.075 1.00 0.00 C ATOM 261 C GLN A 21 8.618 -14.074 -11.988 1.00 0.00 C ATOM 262 O GLN A 21 9.528 -13.312 -12.319 1.00 0.00 O ATOM 263 CB GLN A 21 9.333 -16.469 -11.908 1.00 0.00 C ATOM 264 CG GLN A 21 9.693 -17.687 -11.072 1.00 0.00 C ATOM 265 CD GLN A 21 9.648 -18.975 -11.870 1.00 0.00 C ATOM 266 OE1 GLN A 21 10.683 -19.508 -12.272 1.00 0.00 O ATOM 267 NE2 GLN A 21 8.443 -19.482 -12.105 1.00 0.00 N ATOM 0 H GLN A 21 6.968 -16.059 -10.816 1.00 0.00 H new ATOM 0 HA GLN A 21 9.691 -14.993 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.533 -16.736 -12.598 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.195 -16.186 -12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.692 -17.556 -10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.005 -17.761 -10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.612 -19.007 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.349 -20.347 -12.638 1.00 0.00 H new ATOM 276 N ARG A 22 7.362 -13.918 -12.393 1.00 0.00 N ATOM 277 CA ARG A 22 6.972 -12.819 -13.269 1.00 0.00 C ATOM 278 C ARG A 22 6.376 -11.667 -12.466 1.00 0.00 C ATOM 279 O ARG A 22 5.505 -10.945 -12.952 1.00 0.00 O ATOM 280 CB ARG A 22 5.962 -13.304 -14.312 1.00 0.00 C ATOM 281 CG ARG A 22 6.396 -14.573 -15.033 1.00 0.00 C ATOM 282 CD ARG A 22 6.573 -14.342 -16.527 1.00 0.00 C ATOM 283 NE ARG A 22 5.635 -15.135 -17.318 1.00 0.00 N ATOM 284 CZ ARG A 22 4.348 -14.831 -17.465 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.840 -13.755 -16.878 1.00 0.00 N ATOM 286 NH2 ARG A 22 3.564 -15.607 -18.203 1.00 0.00 N ATOM 0 H ARG A 22 6.597 -14.539 -12.129 1.00 0.00 H new ATOM 0 HA ARG A 22 7.866 -12.459 -13.778 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.004 -13.483 -13.823 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.803 -12.515 -15.047 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.333 -14.931 -14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.654 -15.355 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.431 -13.284 -16.750 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.594 -14.594 -16.815 1.00 0.00 H new ATOM 0 HE ARG A 22 5.987 -15.971 -17.785 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.437 -13.154 -16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.852 -13.528 -16.995 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.948 -16.436 -18.657 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.577 -15.375 -18.316 1.00 0.00 H new ATOM 300 N LEU A 23 6.852 -11.499 -11.237 1.00 0.00 N ATOM 301 CA LEU A 23 6.366 -10.434 -10.368 1.00 0.00 C ATOM 302 C LEU A 23 7.472 -9.940 -9.442 1.00 0.00 C ATOM 303 O LEU A 23 7.212 -9.526 -8.312 1.00 0.00 O ATOM 304 CB LEU A 23 5.175 -10.924 -9.542 1.00 0.00 C ATOM 305 CG LEU A 23 4.237 -9.824 -9.041 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.299 -9.378 -10.151 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.447 -10.308 -7.835 1.00 0.00 C ATOM 0 H LEU A 23 7.574 -12.087 -10.820 1.00 0.00 H new ATOM 0 HA LEU A 23 6.046 -9.604 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.598 -11.625 -10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.552 -11.478 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 23 4.839 -8.968 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.639 -8.595 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.882 -8.992 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.702 -10.226 -10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.785 -9.513 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.854 -11.179 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.135 -10.579 -7.034 1.00 0.00 H new ATOM 319 N SER A 24 8.709 -9.988 -9.928 1.00 0.00 N ATOM 320 CA SER A 24 9.855 -9.545 -9.144 1.00 0.00 C ATOM 321 C SER A 24 10.082 -8.046 -9.309 1.00 0.00 C ATOM 322 O SER A 24 10.516 -7.366 -8.379 1.00 0.00 O ATOM 323 CB SER A 24 11.111 -10.312 -9.562 1.00 0.00 C ATOM 324 OG SER A 24 11.615 -9.833 -10.796 1.00 0.00 O ATOM 0 H SER A 24 8.942 -10.329 -10.861 1.00 0.00 H new ATOM 0 HA SER A 24 9.645 -9.748 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.875 -10.213 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.881 -11.374 -9.648 1.00 0.00 H new ATOM 0 HG SER A 24 12.418 -10.339 -11.040 1.00 0.00 H new ATOM 330 N GLU A 25 9.788 -7.536 -10.501 1.00 0.00 N ATOM 331 CA GLU A 25 9.959 -6.117 -10.788 1.00 0.00 C ATOM 332 C GLU A 25 8.924 -5.282 -10.041 1.00 0.00 C ATOM 333 O GLU A 25 9.243 -4.230 -9.487 1.00 0.00 O ATOM 334 CB GLU A 25 9.849 -5.864 -12.294 1.00 0.00 C ATOM 335 CG GLU A 25 11.192 -5.655 -12.975 1.00 0.00 C ATOM 336 CD GLU A 25 11.107 -5.784 -14.483 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.014 -6.927 -14.977 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.135 -4.741 -15.170 1.00 0.00 O ATOM 0 H GLU A 25 9.430 -8.084 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 25 10.951 -5.819 -10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.342 -6.709 -12.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.225 -4.986 -12.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.575 -4.667 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.907 -6.383 -12.591 1.00 0.00 H new ATOM 345 N GLU A 26 7.684 -5.759 -10.029 1.00 0.00 N ATOM 346 CA GLU A 26 6.602 -5.057 -9.348 1.00 0.00 C ATOM 347 C GLU A 26 6.770 -5.138 -7.835 1.00 0.00 C ATOM 348 O GLU A 26 6.387 -4.223 -7.107 1.00 0.00 O ATOM 349 CB GLU A 26 5.249 -5.643 -9.755 1.00 0.00 C ATOM 350 CG GLU A 26 4.624 -4.956 -10.959 1.00 0.00 C ATOM 351 CD GLU A 26 3.118 -5.115 -11.004 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.485 -5.081 -9.927 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.570 -5.271 -12.115 1.00 0.00 O ATOM 0 H GLU A 26 7.403 -6.628 -10.483 1.00 0.00 H new ATOM 0 HA GLU A 26 6.639 -4.009 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.374 -6.703 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.563 -5.572 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.873 -3.895 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.056 -5.366 -11.872 1.00 0.00 H new ATOM 360 N LYS A 27 7.347 -6.240 -7.367 1.00 0.00 N ATOM 361 CA LYS A 27 7.567 -6.442 -5.940 1.00 0.00 C ATOM 362 C LYS A 27 8.591 -5.448 -5.402 1.00 0.00 C ATOM 363 O LYS A 27 8.486 -4.987 -4.265 1.00 0.00 O ATOM 364 CB LYS A 27 8.039 -7.873 -5.673 1.00 0.00 C ATOM 365 CG LYS A 27 8.092 -8.229 -4.195 1.00 0.00 C ATOM 366 CD LYS A 27 8.031 -9.732 -3.982 1.00 0.00 C ATOM 367 CE LYS A 27 9.391 -10.380 -4.183 1.00 0.00 C ATOM 368 NZ LYS A 27 9.648 -11.455 -3.185 1.00 0.00 N ATOM 0 H LYS A 27 7.671 -7.007 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 27 6.621 -6.277 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.372 -8.568 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.030 -8.007 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.009 -7.835 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.261 -7.753 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.672 -9.943 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.313 -10.170 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.449 -10.797 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.169 -9.621 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.585 -11.871 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.618 -11.053 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.920 -12.193 -3.274 1.00 0.00 H new ATOM 382 N ALA A 28 9.580 -5.121 -6.228 1.00 0.00 N ATOM 383 CA ALA A 28 10.623 -4.181 -5.835 1.00 0.00 C ATOM 384 C ALA A 28 10.062 -2.773 -5.682 1.00 0.00 C ATOM 385 O ALA A 28 10.488 -2.014 -4.811 1.00 0.00 O ATOM 386 CB ALA A 28 11.754 -4.193 -6.853 1.00 0.00 C ATOM 0 H ALA A 28 9.681 -5.493 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 28 11.016 -4.495 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.526 -3.487 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.181 -5.194 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.367 -3.906 -7.831 1.00 0.00 H new ATOM 392 N GLN A 29 9.101 -2.429 -6.533 1.00 0.00 N ATOM 393 CA GLN A 29 8.479 -1.111 -6.492 1.00 0.00 C ATOM 394 C GLN A 29 7.431 -1.038 -5.386 1.00 0.00 C ATOM 395 O GLN A 29 7.353 -0.051 -4.655 1.00 0.00 O ATOM 396 CB GLN A 29 7.836 -0.786 -7.841 1.00 0.00 C ATOM 397 CG GLN A 29 8.778 -0.959 -9.022 1.00 0.00 C ATOM 398 CD GLN A 29 8.136 -0.573 -10.341 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.881 0.603 -10.599 1.00 0.00 O ATOM 400 NE2 GLN A 29 7.872 -1.565 -11.183 1.00 0.00 N ATOM 0 H GLN A 29 8.736 -3.045 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 29 9.256 -0.376 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.966 -1.428 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.474 0.242 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.669 -0.351 -8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.106 -1.997 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.101 -2.526 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.441 -1.367 -12.086 1.00 0.00 H new ATOM 409 N ALA A 30 6.628 -2.091 -5.269 1.00 0.00 N ATOM 410 CA ALA A 30 5.586 -2.150 -4.252 1.00 0.00 C ATOM 411 C ALA A 30 6.187 -2.248 -2.854 1.00 0.00 C ATOM 412 O ALA A 30 5.579 -1.815 -1.875 1.00 0.00 O ATOM 413 CB ALA A 30 4.658 -3.326 -4.514 1.00 0.00 C ATOM 0 H ALA A 30 6.680 -2.916 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 30 5.008 -1.227 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.885 -3.357 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.193 -3.211 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.230 -4.253 -4.491 1.00 0.00 H new ATOM 419 N SER A 31 7.383 -2.823 -2.766 1.00 0.00 N ATOM 420 CA SER A 31 8.064 -2.979 -1.487 1.00 0.00 C ATOM 421 C SER A 31 9.054 -1.841 -1.255 1.00 0.00 C ATOM 422 O SER A 31 10.158 -2.057 -0.755 1.00 0.00 O ATOM 423 CB SER A 31 8.792 -4.324 -1.434 1.00 0.00 C ATOM 424 OG SER A 31 9.115 -4.678 -0.102 1.00 0.00 O ATOM 0 H SER A 31 7.900 -3.188 -3.566 1.00 0.00 H new ATOM 0 HA SER A 31 7.313 -2.949 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.165 -5.098 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.703 -4.271 -2.030 1.00 0.00 H new ATOM 0 HG SER A 31 9.627 -3.954 0.314 1.00 0.00 H new ATOM 430 N ALA A 32 8.651 -0.629 -1.620 1.00 0.00 N ATOM 431 CA ALA A 32 9.502 0.543 -1.451 1.00 0.00 C ATOM 432 C ALA A 32 8.670 1.820 -1.386 1.00 0.00 C ATOM 433 O ALA A 32 9.129 2.892 -1.779 1.00 0.00 O ATOM 434 CB ALA A 32 10.514 0.628 -2.584 1.00 0.00 C ATOM 0 H ALA A 32 7.740 -0.432 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 32 10.037 0.440 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.143 1.508 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.137 -0.267 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.989 0.704 -3.536 1.00 0.00 H new ATOM 440 N ILE A 33 7.445 1.699 -0.885 1.00 0.00 N ATOM 441 CA ILE A 33 6.550 2.844 -0.767 1.00 0.00 C ATOM 442 C ILE A 33 5.799 2.819 0.559 1.00 0.00 C ATOM 443 O ILE A 33 4.755 2.179 0.681 1.00 0.00 O ATOM 444 CB ILE A 33 5.530 2.881 -1.920 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.237 2.700 -3.264 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.751 4.188 -1.897 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.295 2.390 -4.407 1.00 0.00 C ATOM 0 H ILE A 33 7.049 0.819 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 33 7.172 3.738 -0.813 1.00 0.00 H new ATOM 0 HB ILE A 33 4.827 2.059 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.792 3.608 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.966 1.894 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.034 4.199 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.219 4.278 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.441 5.025 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.866 2.275 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.758 1.466 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.582 3.206 -4.522 1.00 0.00 H new ATOM 459 N SER A 34 6.337 3.521 1.551 1.00 0.00 N ATOM 460 CA SER A 34 5.716 3.580 2.870 1.00 0.00 C ATOM 461 C SER A 34 4.329 4.207 2.791 1.00 0.00 C ATOM 462 O SER A 34 4.078 5.081 1.961 1.00 0.00 O ATOM 463 CB SER A 34 6.595 4.379 3.835 1.00 0.00 C ATOM 464 OG SER A 34 7.950 4.371 3.418 1.00 0.00 O ATOM 0 H SER A 34 7.201 4.057 1.467 1.00 0.00 H new ATOM 0 HA SER A 34 5.613 2.560 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.235 5.406 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.517 3.957 4.837 1.00 0.00 H new ATOM 0 HG SER A 34 8.490 4.890 4.050 1.00 0.00 H new ATOM 470 N VAL A 35 3.430 3.754 3.660 1.00 0.00 N ATOM 471 CA VAL A 35 2.067 4.271 3.688 1.00 0.00 C ATOM 472 C VAL A 35 1.987 5.560 4.498 1.00 0.00 C ATOM 473 O VAL A 35 2.291 5.577 5.691 1.00 0.00 O ATOM 474 CB VAL A 35 1.089 3.242 4.284 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.348 3.715 4.123 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.285 1.881 3.634 1.00 0.00 C ATOM 0 H VAL A 35 3.621 3.031 4.353 1.00 0.00 H new ATOM 0 HA VAL A 35 1.783 4.475 2.655 1.00 0.00 H new ATOM 0 HB VAL A 35 1.298 3.144 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.025 2.975 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.478 4.666 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.572 3.843 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.585 1.167 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.105 1.960 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.306 1.539 3.806 1.00 0.00 H new ATOM 486 N GLY A 36 1.574 6.640 3.841 1.00 0.00 N ATOM 487 CA GLY A 36 1.461 7.920 4.515 1.00 0.00 C ATOM 488 C GLY A 36 2.494 8.921 4.037 1.00 0.00 C ATOM 489 O GLY A 36 2.912 9.800 4.790 1.00 0.00 O ATOM 0 H GLY A 36 1.316 6.651 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.463 8.326 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.573 7.772 5.589 1.00 0.00 H new ATOM 493 N SER A 37 2.907 8.786 2.780 1.00 0.00 N ATOM 494 CA SER A 37 3.899 9.685 2.201 1.00 0.00 C ATOM 495 C SER A 37 3.412 10.246 0.869 1.00 0.00 C ATOM 496 O SER A 37 3.025 9.496 -0.028 1.00 0.00 O ATOM 497 CB SER A 37 5.227 8.954 2.004 1.00 0.00 C ATOM 498 OG SER A 37 6.070 9.114 3.132 1.00 0.00 O ATOM 0 H SER A 37 2.570 8.063 2.144 1.00 0.00 H new ATOM 0 HA SER A 37 4.048 10.515 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.040 7.894 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.728 9.337 1.115 1.00 0.00 H new ATOM 0 HG SER A 37 6.912 8.636 2.982 1.00 0.00 H new ATOM 504 N ARG A 38 3.435 11.570 0.746 1.00 0.00 N ATOM 505 CA ARG A 38 2.996 12.231 -0.478 1.00 0.00 C ATOM 506 C ARG A 38 3.874 11.829 -1.658 1.00 0.00 C ATOM 507 O ARG A 38 5.095 11.978 -1.615 1.00 0.00 O ATOM 508 CB ARG A 38 3.025 13.751 -0.299 1.00 0.00 C ATOM 509 CG ARG A 38 1.950 14.273 0.642 1.00 0.00 C ATOM 510 CD ARG A 38 0.818 14.942 -0.121 1.00 0.00 C ATOM 511 NE ARG A 38 -0.390 15.071 0.693 1.00 0.00 N ATOM 512 CZ ARG A 38 -1.382 15.914 0.418 1.00 0.00 C ATOM 513 NH1 ARG A 38 -1.317 16.703 -0.646 1.00 0.00 N ATOM 514 NH2 ARG A 38 -2.444 15.967 1.211 1.00 0.00 N ATOM 0 H ARG A 38 3.753 12.205 1.478 1.00 0.00 H new ATOM 0 HA ARG A 38 1.974 11.916 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.003 14.045 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.906 14.226 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.553 13.449 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.390 14.985 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.139 15.929 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.592 14.362 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.477 14.480 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.503 16.666 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.081 17.347 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.499 15.362 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.205 16.613 1.001 1.00 0.00 H new ATOM 528 N CYS A 39 3.243 11.320 -2.711 1.00 0.00 N ATOM 529 CA CYS A 39 3.968 10.897 -3.904 1.00 0.00 C ATOM 530 C CYS A 39 3.281 11.408 -5.168 1.00 0.00 C ATOM 531 O CYS A 39 2.110 11.789 -5.139 1.00 0.00 O ATOM 532 CB CYS A 39 4.072 9.372 -3.949 1.00 0.00 C ATOM 533 SG CYS A 39 4.599 8.624 -2.390 1.00 0.00 S ATOM 0 H CYS A 39 2.233 11.190 -2.763 1.00 0.00 H new ATOM 0 HA CYS A 39 4.971 11.322 -3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.102 8.960 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.776 9.089 -4.732 1.00 0.00 H new ATOM 0 HG CYS A 39 3.777 8.968 -1.444 1.00 0.00 H new ATOM 539 N GLU A 40 4.018 11.415 -6.273 1.00 0.00 N ATOM 540 CA GLU A 40 3.481 11.880 -7.547 1.00 0.00 C ATOM 541 C GLU A 40 2.936 10.714 -8.366 1.00 0.00 C ATOM 542 O GLU A 40 3.609 9.700 -8.543 1.00 0.00 O ATOM 543 CB GLU A 40 4.561 12.615 -8.343 1.00 0.00 C ATOM 544 CG GLU A 40 4.933 13.969 -7.760 1.00 0.00 C ATOM 545 CD GLU A 40 6.263 13.945 -7.031 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.433 13.092 -6.135 1.00 0.00 O ATOM 547 OE2 GLU A 40 7.134 14.779 -7.359 1.00 0.00 O ATOM 0 H GLU A 40 4.989 11.104 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 40 2.662 12.568 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.454 11.991 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.215 12.753 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.976 14.706 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.151 14.291 -7.072 1.00 0.00 H new ATOM 554 N VAL A 41 1.712 10.867 -8.861 1.00 0.00 N ATOM 555 CA VAL A 41 1.077 9.828 -9.662 1.00 0.00 C ATOM 556 C VAL A 41 1.072 10.200 -11.141 1.00 0.00 C ATOM 557 O VAL A 41 0.780 11.339 -11.503 1.00 0.00 O ATOM 558 CB VAL A 41 -0.372 9.570 -9.203 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.963 8.379 -9.943 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.427 9.351 -7.699 1.00 0.00 C ATOM 0 H VAL A 41 1.141 11.700 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 41 1.661 8.919 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.969 10.450 -9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.986 8.212 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.962 8.579 -11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.365 7.491 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.458 9.171 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.185 8.489 -7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.048 10.236 -7.188 1.00 0.00 H new ATOM 570 N ARG A 42 1.397 9.232 -11.992 1.00 0.00 N ATOM 571 CA ARG A 42 1.430 9.458 -13.431 1.00 0.00 C ATOM 572 C ARG A 42 0.865 8.258 -14.185 1.00 0.00 C ATOM 573 O ARG A 42 1.520 7.221 -14.301 1.00 0.00 O ATOM 574 CB ARG A 42 2.863 9.739 -13.891 1.00 0.00 C ATOM 575 CG ARG A 42 2.982 10.950 -14.805 1.00 0.00 C ATOM 576 CD ARG A 42 3.389 10.550 -16.215 1.00 0.00 C ATOM 577 NE ARG A 42 2.592 11.238 -17.229 1.00 0.00 N ATOM 578 CZ ARG A 42 2.961 11.362 -18.502 1.00 0.00 C ATOM 579 NH1 ARG A 42 4.109 10.845 -18.923 1.00 0.00 N ATOM 580 NH2 ARG A 42 2.177 12.003 -19.359 1.00 0.00 N ATOM 0 H ARG A 42 1.641 8.283 -11.709 1.00 0.00 H new ATOM 0 HA ARG A 42 0.808 10.326 -13.652 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.494 9.892 -13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.247 8.862 -14.412 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.029 11.478 -14.837 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.717 11.644 -14.397 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.444 10.778 -16.367 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.275 9.472 -16.334 1.00 0.00 H new ATOM 0 HE ARG A 42 1.702 11.647 -16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.715 10.349 -18.270 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.385 10.944 -19.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.293 12.400 -19.042 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.459 12.099 -20.335 1.00 0.00 H new ATOM 594 N ALA A 43 -0.354 8.404 -14.694 1.00 0.00 N ATOM 595 CA ALA A 43 -1.005 7.332 -15.436 1.00 0.00 C ATOM 596 C ALA A 43 -1.842 7.888 -16.584 1.00 0.00 C ATOM 597 O ALA A 43 -2.222 9.059 -16.577 1.00 0.00 O ATOM 598 CB ALA A 43 -1.872 6.498 -14.504 1.00 0.00 C ATOM 0 H ALA A 43 -0.910 9.254 -14.606 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.230 6.695 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.353 5.701 -15.071 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.251 6.063 -13.721 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.634 7.132 -14.052 1.00 0.00 H new ATOM 604 N PRO A 44 -2.144 7.050 -17.592 1.00 0.00 N ATOM 605 CA PRO A 44 -2.941 7.464 -18.750 1.00 0.00 C ATOM 606 C PRO A 44 -4.406 7.696 -18.393 1.00 0.00 C ATOM 607 O PRO A 44 -5.295 7.004 -18.891 1.00 0.00 O ATOM 608 CB PRO A 44 -2.804 6.285 -19.716 1.00 0.00 C ATOM 609 CG PRO A 44 -2.529 5.111 -18.842 1.00 0.00 C ATOM 610 CD PRO A 44 -1.732 5.636 -17.680 1.00 0.00 C ATOM 0 HA PRO A 44 -2.597 8.412 -19.164 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.715 6.141 -20.297 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.994 6.448 -20.427 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.457 4.652 -18.502 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.973 4.345 -19.382 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.957 5.094 -16.761 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.660 5.540 -17.852 1.00 0.00 H new ATOM 618 N ASP A 45 -4.652 8.674 -17.528 1.00 0.00 N ATOM 619 CA ASP A 45 -6.009 8.998 -17.105 1.00 0.00 C ATOM 620 C ASP A 45 -6.317 10.472 -17.350 1.00 0.00 C ATOM 621 O ASP A 45 -7.382 10.817 -17.864 1.00 0.00 O ATOM 622 CB ASP A 45 -6.198 8.665 -15.624 1.00 0.00 C ATOM 623 CG ASP A 45 -6.327 7.175 -15.378 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.831 6.467 -16.276 1.00 0.00 O ATOM 625 OD2 ASP A 45 -5.925 6.715 -14.289 1.00 0.00 O ATOM 0 H ASP A 45 -3.929 9.256 -17.106 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.700 8.397 -17.696 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.352 9.052 -15.057 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.089 9.170 -15.252 1.00 0.00 H new ATOM 630 N HIS A 46 -5.379 11.337 -16.980 1.00 0.00 N ATOM 631 CA HIS A 46 -5.550 12.774 -17.160 1.00 0.00 C ATOM 632 C HIS A 46 -4.202 13.490 -17.121 1.00 0.00 C ATOM 633 O HIS A 46 -3.704 13.955 -18.146 1.00 0.00 O ATOM 634 CB HIS A 46 -6.478 13.339 -16.082 1.00 0.00 C ATOM 635 CG HIS A 46 -7.642 14.099 -16.635 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.857 14.194 -15.987 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.775 14.804 -17.784 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.685 14.924 -16.713 1.00 0.00 C ATOM 639 NE2 HIS A 46 -9.053 15.305 -17.807 1.00 0.00 N ATOM 0 H HIS A 46 -4.492 11.068 -16.554 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.001 12.943 -18.138 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.849 12.519 -15.467 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.904 13.995 -15.427 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.017 14.946 -18.541 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.705 15.167 -16.455 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.450 15.879 -18.550 1.00 0.00 H new ATOM 648 N SER A 47 -3.618 13.575 -15.930 1.00 0.00 N ATOM 649 CA SER A 47 -2.329 14.233 -15.756 1.00 0.00 C ATOM 650 C SER A 47 -1.733 13.912 -14.390 1.00 0.00 C ATOM 651 O SER A 47 -2.331 13.187 -13.596 1.00 0.00 O ATOM 652 CB SER A 47 -2.480 15.747 -15.915 1.00 0.00 C ATOM 653 OG SER A 47 -1.216 16.377 -16.034 1.00 0.00 O ATOM 0 H SER A 47 -4.017 13.196 -15.071 1.00 0.00 H new ATOM 0 HA SER A 47 -1.653 13.859 -16.524 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.083 15.965 -16.797 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.013 16.154 -15.056 1.00 0.00 H new ATOM 0 HG SER A 47 -1.341 17.344 -16.136 1.00 0.00 H new ATOM 659 N LEU A 48 -0.550 14.457 -14.121 1.00 0.00 N ATOM 660 CA LEU A 48 0.126 14.228 -12.850 1.00 0.00 C ATOM 661 C LEU A 48 -0.699 14.777 -11.690 1.00 0.00 C ATOM 662 O LEU A 48 -1.251 15.875 -11.773 1.00 0.00 O ATOM 663 CB LEU A 48 1.513 14.876 -12.863 1.00 0.00 C ATOM 664 CG LEU A 48 2.680 13.904 -13.035 1.00 0.00 C ATOM 665 CD1 LEU A 48 3.840 14.583 -13.745 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.125 13.362 -11.684 1.00 0.00 C ATOM 0 H LEU A 48 -0.041 15.060 -14.767 1.00 0.00 H new ATOM 0 HA LEU A 48 0.239 13.153 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.548 15.608 -13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.650 15.423 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 48 2.344 13.068 -13.648 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.661 13.876 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.516 14.923 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.176 15.438 -13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.957 12.672 -11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.443 14.188 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.295 12.838 -11.211 1.00 0.00 H new ATOM 678 N ARG A 49 -0.780 14.007 -10.610 1.00 0.00 N ATOM 679 CA ARG A 49 -1.537 14.417 -9.434 1.00 0.00 C ATOM 680 C ARG A 49 -0.757 14.130 -8.155 1.00 0.00 C ATOM 681 O ARG A 49 0.067 13.216 -8.111 1.00 0.00 O ATOM 682 CB ARG A 49 -2.886 13.697 -9.395 1.00 0.00 C ATOM 683 CG ARG A 49 -3.716 13.890 -10.654 1.00 0.00 C ATOM 684 CD ARG A 49 -4.556 15.155 -10.580 1.00 0.00 C ATOM 685 NE ARG A 49 -4.561 15.885 -11.846 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.314 15.551 -12.891 1.00 0.00 C ATOM 687 NH1 ARG A 49 -6.123 14.501 -12.827 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.259 16.270 -14.004 1.00 0.00 N ATOM 0 H ARG A 49 -0.330 13.095 -10.525 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.707 15.492 -9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.715 12.631 -9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.455 14.055 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.057 13.940 -11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.367 13.028 -10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.579 14.895 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.170 15.801 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.952 16.698 -11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.170 13.945 -11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.698 14.250 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.640 17.079 -14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.836 16.014 -14.805 1.00 0.00 H new ATOM 702 N ARG A 50 -1.021 14.917 -7.117 1.00 0.00 N ATOM 703 CA ARG A 50 -0.342 14.747 -5.838 1.00 0.00 C ATOM 704 C ARG A 50 -1.272 14.112 -4.809 1.00 0.00 C ATOM 705 O ARG A 50 -2.284 14.698 -4.426 1.00 0.00 O ATOM 706 CB ARG A 50 0.162 16.096 -5.321 1.00 0.00 C ATOM 707 CG ARG A 50 1.573 16.431 -5.774 1.00 0.00 C ATOM 708 CD ARG A 50 2.612 15.675 -4.964 1.00 0.00 C ATOM 709 NE ARG A 50 3.851 16.436 -4.815 1.00 0.00 N ATOM 710 CZ ARG A 50 3.956 17.546 -4.087 1.00 0.00 C ATOM 711 NH1 ARG A 50 2.900 18.026 -3.440 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.118 18.177 -4.005 1.00 0.00 N ATOM 0 H ARG A 50 -1.700 15.678 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 50 0.509 14.083 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.515 16.881 -5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.130 16.093 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.685 16.186 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.743 17.503 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.207 15.446 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.827 14.723 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 50 4.684 16.097 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.003 17.544 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.986 18.877 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.932 17.813 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.198 19.027 -3.447 1.00 0.00 H new ATOM 726 N GLY A 51 -0.919 12.910 -4.363 1.00 0.00 N ATOM 727 CA GLY A 51 -1.732 12.215 -3.382 1.00 0.00 C ATOM 728 C GLY A 51 -0.899 11.583 -2.284 1.00 0.00 C ATOM 729 O GLY A 51 0.291 11.870 -2.155 1.00 0.00 O ATOM 0 H GLY A 51 -0.085 12.405 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.440 12.915 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.317 11.442 -3.881 1.00 0.00 H new ATOM 733 N THR A 52 -1.526 10.721 -1.491 1.00 0.00 N ATOM 734 CA THR A 52 -0.835 10.047 -0.398 1.00 0.00 C ATOM 735 C THR A 52 -1.148 8.555 -0.392 1.00 0.00 C ATOM 736 O THR A 52 -2.308 8.153 -0.485 1.00 0.00 O ATOM 737 CB THR A 52 -1.230 10.669 0.942 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.614 12.022 0.773 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.119 10.633 1.969 1.00 0.00 C ATOM 0 H THR A 52 -2.511 10.473 -1.585 1.00 0.00 H new ATOM 0 HA THR A 52 0.237 10.173 -0.547 1.00 0.00 H new ATOM 0 HB THR A 52 -2.061 10.065 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.710 12.447 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.465 11.090 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.167 9.599 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.742 11.185 1.593 1.00 0.00 H new ATOM 747 N VAL A 53 -0.106 7.737 -0.284 1.00 0.00 N ATOM 748 CA VAL A 53 -0.270 6.288 -0.266 1.00 0.00 C ATOM 749 C VAL A 53 -1.082 5.844 0.946 1.00 0.00 C ATOM 750 O VAL A 53 -0.801 6.247 2.075 1.00 0.00 O ATOM 751 CB VAL A 53 1.093 5.569 -0.250 1.00 0.00 C ATOM 752 CG1 VAL A 53 0.906 4.066 -0.393 1.00 0.00 C ATOM 753 CG2 VAL A 53 1.996 6.107 -1.349 1.00 0.00 C ATOM 0 H VAL A 53 0.861 8.053 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.804 6.017 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 53 1.573 5.763 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.879 3.575 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.301 3.694 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.404 3.850 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.953 5.586 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.524 5.947 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.159 7.174 -1.197 1.00 0.00 H new ATOM 763 N MET A 54 -2.089 5.011 0.706 1.00 0.00 N ATOM 764 CA MET A 54 -2.942 4.512 1.778 1.00 0.00 C ATOM 765 C MET A 54 -2.802 3.000 1.926 1.00 0.00 C ATOM 766 O MET A 54 -2.780 2.475 3.040 1.00 0.00 O ATOM 767 CB MET A 54 -4.403 4.875 1.509 1.00 0.00 C ATOM 768 CG MET A 54 -4.601 6.317 1.065 1.00 0.00 C ATOM 769 SD MET A 54 -4.973 6.457 -0.694 1.00 0.00 S ATOM 770 CE MET A 54 -6.758 6.303 -0.675 1.00 0.00 C ATOM 0 H MET A 54 -2.334 4.667 -0.222 1.00 0.00 H new ATOM 0 HA MET A 54 -2.624 4.982 2.708 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.798 4.210 0.741 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.985 4.699 2.414 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.413 6.762 1.641 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.700 6.889 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.053 5.418 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.104 6.209 0.354 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.204 7.188 -1.129 1.00 0.00 H new ATOM 780 N TYR A 55 -2.710 2.306 0.797 1.00 0.00 N ATOM 781 CA TYR A 55 -2.573 0.854 0.803 1.00 0.00 C ATOM 782 C TYR A 55 -1.672 0.387 -0.337 1.00 0.00 C ATOM 783 O TYR A 55 -1.849 0.791 -1.487 1.00 0.00 O ATOM 784 CB TYR A 55 -3.947 0.191 0.685 1.00 0.00 C ATOM 785 CG TYR A 55 -3.980 -1.229 1.206 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.545 -2.287 0.418 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.447 -1.510 2.483 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.574 -3.586 0.890 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.479 -2.806 2.961 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.042 -3.840 2.161 1.00 0.00 C ATOM 791 OH TYR A 55 -4.073 -5.132 2.634 1.00 0.00 O ATOM 0 H TYR A 55 -2.728 2.725 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.115 0.562 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.677 0.787 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.254 0.193 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.178 -2.092 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.791 -0.703 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.231 -4.398 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.845 -3.008 3.957 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.429 -5.138 3.547 1.00 0.00 H new ATOM 801 N VAL A 56 -0.708 -0.467 -0.010 1.00 0.00 N ATOM 802 CA VAL A 56 0.220 -0.991 -1.006 1.00 0.00 C ATOM 803 C VAL A 56 0.280 -2.513 -0.951 1.00 0.00 C ATOM 804 O VAL A 56 0.832 -3.089 -0.012 1.00 0.00 O ATOM 805 CB VAL A 56 1.639 -0.424 -0.807 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.555 -0.862 -1.940 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.601 1.094 -0.700 1.00 0.00 C ATOM 0 H VAL A 56 -0.549 -0.811 0.937 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.153 -0.679 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 56 2.038 -0.821 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.552 -0.451 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.610 -1.950 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.160 -0.498 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.613 1.474 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.179 1.513 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.984 1.383 0.150 1.00 0.00 H new ATOM 817 N GLY A 57 -0.290 -3.160 -1.962 1.00 0.00 N ATOM 818 CA GLY A 57 -0.290 -4.610 -2.009 1.00 0.00 C ATOM 819 C GLY A 57 -1.119 -5.155 -3.155 1.00 0.00 C ATOM 820 O GLY A 57 -1.648 -4.392 -3.965 1.00 0.00 O ATOM 0 H GLY A 57 -0.752 -2.706 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.735 -4.967 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.677 -5.001 -1.068 1.00 0.00 H new ATOM 824 N LEU A 58 -1.231 -6.477 -3.227 1.00 0.00 N ATOM 825 CA LEU A 58 -2.002 -7.122 -4.284 1.00 0.00 C ATOM 826 C LEU A 58 -3.462 -6.685 -4.239 1.00 0.00 C ATOM 827 O LEU A 58 -3.848 -5.857 -3.413 1.00 0.00 O ATOM 828 CB LEU A 58 -1.911 -8.644 -4.151 1.00 0.00 C ATOM 829 CG LEU A 58 -0.500 -9.222 -4.278 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.482 -10.683 -3.853 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.010 -9.073 -5.703 1.00 0.00 C ATOM 0 H LEU A 58 -0.798 -7.123 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.581 -6.819 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.320 -8.934 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.543 -9.099 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 58 0.162 -8.664 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.529 -11.078 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.805 -10.764 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.157 -11.255 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.015 -9.489 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.653 -9.606 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.035 -8.017 -5.972 1.00 0.00 H new ATOM 843 N THR A 59 -4.269 -7.244 -5.135 1.00 0.00 N ATOM 844 CA THR A 59 -5.688 -6.912 -5.198 1.00 0.00 C ATOM 845 C THR A 59 -6.481 -8.037 -5.854 1.00 0.00 C ATOM 846 O THR A 59 -5.913 -9.040 -6.286 1.00 0.00 O ATOM 847 CB THR A 59 -5.892 -5.609 -5.972 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.391 -5.724 -7.292 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.218 -4.416 -5.327 1.00 0.00 C ATOM 0 H THR A 59 -3.965 -7.929 -5.827 1.00 0.00 H new ATOM 0 HA THR A 59 -6.052 -6.783 -4.179 1.00 0.00 H new ATOM 0 HB THR A 59 -6.969 -5.441 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.056 -4.853 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.403 -3.525 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.621 -4.268 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.145 -4.595 -5.264 1.00 0.00 H new ATOM 857 N ASP A 60 -7.797 -7.863 -5.925 1.00 0.00 N ATOM 858 CA ASP A 60 -8.669 -8.864 -6.528 1.00 0.00 C ATOM 859 C ASP A 60 -9.295 -8.338 -7.816 1.00 0.00 C ATOM 860 O ASP A 60 -9.504 -9.089 -8.768 1.00 0.00 O ATOM 861 CB ASP A 60 -9.765 -9.277 -5.541 1.00 0.00 C ATOM 862 CG ASP A 60 -9.727 -10.758 -5.220 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.792 -11.188 -4.512 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.632 -11.487 -5.677 1.00 0.00 O ATOM 0 H ASP A 60 -8.283 -7.038 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.064 -9.737 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.654 -8.706 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.740 -9.023 -5.958 1.00 0.00 H new ATOM 869 N PHE A 61 -9.594 -7.043 -7.837 1.00 0.00 N ATOM 870 CA PHE A 61 -10.198 -6.418 -9.008 1.00 0.00 C ATOM 871 C PHE A 61 -9.254 -6.473 -10.205 1.00 0.00 C ATOM 872 O PHE A 61 -9.696 -6.533 -11.353 1.00 0.00 O ATOM 873 CB PHE A 61 -10.570 -4.964 -8.704 1.00 0.00 C ATOM 874 CG PHE A 61 -9.396 -4.114 -8.306 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.654 -3.444 -9.266 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.037 -3.985 -6.975 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.575 -2.661 -8.903 1.00 0.00 C ATOM 878 CE2 PHE A 61 -7.959 -3.203 -6.606 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.227 -2.539 -7.571 1.00 0.00 C ATOM 0 H PHE A 61 -9.428 -6.407 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.103 -6.973 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.043 -4.527 -9.584 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.309 -4.946 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.922 -3.535 -10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.606 -4.502 -6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.004 -2.144 -9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.689 -3.111 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.385 -1.926 -7.285 1.00 0.00 H new ATOM 889 N LYS A 62 -7.955 -6.453 -9.931 1.00 0.00 N ATOM 890 CA LYS A 62 -6.951 -6.502 -10.988 1.00 0.00 C ATOM 891 C LYS A 62 -5.684 -7.203 -10.504 1.00 0.00 C ATOM 892 O LYS A 62 -5.371 -7.189 -9.313 1.00 0.00 O ATOM 893 CB LYS A 62 -6.616 -5.087 -11.466 1.00 0.00 C ATOM 894 CG LYS A 62 -7.414 -4.654 -12.686 1.00 0.00 C ATOM 895 CD LYS A 62 -7.258 -3.166 -12.953 1.00 0.00 C ATOM 896 CE LYS A 62 -8.286 -2.670 -13.957 1.00 0.00 C ATOM 897 NZ LYS A 62 -7.992 -1.284 -14.415 1.00 0.00 N ATOM 0 H LYS A 62 -7.572 -6.403 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.363 -7.072 -11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.800 -4.384 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.553 -5.033 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.083 -5.218 -13.558 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.468 -4.889 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.364 -2.614 -12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.255 -2.966 -13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.306 -3.340 -14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.278 -2.700 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.716 -0.983 -15.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.998 -0.640 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.056 -1.259 -14.869 1.00 0.00 H new ATOM 911 N PRO A 63 -4.934 -7.829 -11.428 1.00 0.00 N ATOM 912 CA PRO A 63 -3.695 -8.538 -11.093 1.00 0.00 C ATOM 913 C PRO A 63 -2.564 -7.584 -10.721 1.00 0.00 C ATOM 914 O PRO A 63 -2.749 -6.367 -10.695 1.00 0.00 O ATOM 915 CB PRO A 63 -3.357 -9.292 -12.380 1.00 0.00 C ATOM 916 CG PRO A 63 -3.985 -8.485 -13.464 1.00 0.00 C ATOM 917 CD PRO A 63 -5.235 -7.895 -12.871 1.00 0.00 C ATOM 0 HA PRO A 63 -3.818 -9.185 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.279 -9.374 -12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.754 -10.307 -12.361 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.310 -7.702 -13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.219 -9.107 -14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.447 -6.908 -13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.107 -8.518 -13.071 1.00 0.00 H new ATOM 925 N GLY A 64 -1.394 -8.144 -10.435 1.00 0.00 N ATOM 926 CA GLY A 64 -0.250 -7.330 -10.069 1.00 0.00 C ATOM 927 C GLY A 64 -0.509 -6.486 -8.836 1.00 0.00 C ATOM 928 O GLY A 64 -1.655 -6.318 -8.421 1.00 0.00 O ATOM 0 H GLY A 64 -1.217 -9.148 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.609 -7.976 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.010 -6.679 -10.903 1.00 0.00 H new ATOM 932 N TYR A 65 0.560 -5.957 -8.249 1.00 0.00 N ATOM 933 CA TYR A 65 0.443 -5.127 -7.056 1.00 0.00 C ATOM 934 C TYR A 65 -0.249 -3.807 -7.378 1.00 0.00 C ATOM 935 O TYR A 65 -0.496 -3.491 -8.541 1.00 0.00 O ATOM 936 CB TYR A 65 1.825 -4.859 -6.458 1.00 0.00 C ATOM 937 CG TYR A 65 2.421 -6.054 -5.749 1.00 0.00 C ATOM 938 CD1 TYR A 65 1.873 -6.526 -4.562 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.531 -6.710 -6.264 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.415 -7.618 -3.911 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.079 -7.802 -5.619 1.00 0.00 C ATOM 942 CZ TYR A 65 3.517 -8.252 -4.444 1.00 0.00 C ATOM 943 OH TYR A 65 4.059 -9.340 -3.798 1.00 0.00 O ATOM 0 H TYR A 65 1.516 -6.088 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.162 -5.666 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.501 -4.545 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.753 -4.029 -5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.010 -6.031 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.974 -6.361 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.978 -7.973 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.943 -8.300 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 65 4.830 -9.671 -4.305 1.00 0.00 H new ATOM 953 N TRP A 66 -0.560 -3.040 -6.338 1.00 0.00 N ATOM 954 CA TRP A 66 -1.224 -1.753 -6.509 1.00 0.00 C ATOM 955 C TRP A 66 -0.789 -0.769 -5.428 1.00 0.00 C ATOM 956 O TRP A 66 -0.100 -1.140 -4.479 1.00 0.00 O ATOM 957 CB TRP A 66 -2.744 -1.930 -6.473 1.00 0.00 C ATOM 958 CG TRP A 66 -3.304 -2.514 -7.733 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.520 -3.836 -7.999 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.720 -1.796 -8.900 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.044 -3.984 -9.260 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.177 -2.747 -9.833 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.752 -0.443 -9.248 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.658 -2.386 -11.089 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.230 -0.085 -10.494 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.679 -1.054 -11.401 1.00 0.00 C ATOM 0 H TRP A 66 -0.363 -3.287 -5.368 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.936 -1.350 -7.480 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.008 -2.574 -5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.211 -0.962 -6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.310 -4.647 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.293 -4.871 -9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.409 0.310 -8.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -5.002 -3.131 -11.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.258 0.958 -10.773 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.049 -0.743 -12.367 1.00 0.00 H new ATOM 977 N VAL A 67 -1.197 0.488 -5.579 1.00 0.00 N ATOM 978 CA VAL A 67 -0.849 1.524 -4.615 1.00 0.00 C ATOM 979 C VAL A 67 -1.963 2.558 -4.493 1.00 0.00 C ATOM 980 O VAL A 67 -2.109 3.431 -5.347 1.00 0.00 O ATOM 981 CB VAL A 67 0.458 2.238 -5.007 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.910 3.174 -3.896 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.544 1.224 -5.334 1.00 0.00 C ATOM 0 H VAL A 67 -1.768 0.812 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.710 1.029 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 67 0.270 2.835 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.835 3.669 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.139 3.923 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.080 2.601 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.460 1.747 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.732 0.598 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.220 0.599 -6.166 1.00 0.00 H new ATOM 993 N GLY A 68 -2.745 2.453 -3.423 1.00 0.00 N ATOM 994 CA GLY A 68 -3.835 3.385 -3.208 1.00 0.00 C ATOM 995 C GLY A 68 -3.346 4.774 -2.843 1.00 0.00 C ATOM 996 O GLY A 68 -2.643 4.950 -1.848 1.00 0.00 O ATOM 0 H GLY A 68 -2.643 1.739 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.443 3.443 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.479 3.009 -2.413 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.718 5.762 -3.649 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.313 7.141 -3.407 1.00 0.00 C ATOM 1002 C VAL A 69 -4.519 8.074 -3.397 1.00 0.00 C ATOM 1003 O VAL A 69 -5.369 8.016 -4.285 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.311 7.629 -4.471 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.778 9.008 -4.113 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.170 6.635 -4.629 1.00 0.00 C ATOM 0 H VAL A 69 -4.300 5.633 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.832 7.161 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.833 7.703 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.072 9.335 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.606 9.715 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.274 8.964 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.473 6.998 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.649 6.525 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.569 5.669 -4.938 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.589 8.934 -2.385 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.691 9.879 -2.260 1.00 0.00 C ATOM 1018 C ARG A 70 -5.254 11.282 -2.665 1.00 0.00 C ATOM 1019 O ARG A 70 -4.216 11.772 -2.223 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.217 9.891 -0.823 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.534 10.633 -0.666 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.497 11.604 0.504 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.442 12.606 0.353 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.259 12.545 0.965 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -4.958 11.526 1.761 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -4.368 13.510 0.772 1.00 0.00 N ATOM 0 H ARG A 70 -3.895 8.995 -1.640 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.489 9.560 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.345 8.863 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.471 10.351 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.757 11.177 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.341 9.915 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.462 12.104 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.341 11.050 1.430 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.623 13.402 -0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.635 10.778 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.049 11.491 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.590 14.294 0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.462 13.468 1.238 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.055 11.925 -3.511 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.750 13.272 -3.976 1.00 0.00 C ATOM 1042 C TYR A 71 -6.430 14.318 -3.100 1.00 0.00 C ATOM 1043 O TYR A 71 -7.237 13.984 -2.231 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.194 13.444 -5.431 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.687 12.357 -6.352 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.338 12.265 -6.671 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.556 11.424 -6.902 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.869 11.273 -7.513 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.096 10.430 -7.745 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.753 10.359 -8.046 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.290 9.371 -8.885 1.00 0.00 O ATOM 0 H TYR A 71 -6.919 11.534 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.671 13.416 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.283 13.463 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.846 14.410 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.644 12.980 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.609 11.476 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.817 11.215 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.785 9.713 -8.166 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.039 8.809 -9.173 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.100 15.584 -3.332 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.680 16.679 -2.563 1.00 0.00 C ATOM 1063 C ASP A 72 -8.008 17.126 -3.168 1.00 0.00 C ATOM 1064 O ASP A 72 -8.909 17.565 -2.456 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.709 17.860 -2.508 1.00 0.00 C ATOM 1066 CG ASP A 72 -6.016 18.806 -1.363 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -7.212 19.032 -1.083 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -5.059 19.321 -0.746 1.00 0.00 O ATOM 0 H ASP A 72 -5.434 15.877 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.865 16.321 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.691 17.485 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.752 18.407 -3.450 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.119 17.009 -4.488 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.337 17.400 -5.190 1.00 0.00 C ATOM 1075 C GLU A 73 -10.055 16.177 -5.757 1.00 0.00 C ATOM 1076 O GLU A 73 -9.477 15.094 -5.848 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.007 18.383 -6.315 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.165 19.841 -5.915 1.00 0.00 C ATOM 1079 CD GLU A 73 -9.165 20.776 -7.108 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -9.450 20.307 -8.230 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -8.880 21.978 -6.921 1.00 0.00 O ATOM 0 H GLU A 73 -7.381 16.647 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.000 17.887 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.982 18.214 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.654 18.177 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.096 19.963 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.355 20.119 -5.240 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.331 16.336 -6.148 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.127 15.239 -6.709 1.00 0.00 C ATOM 1090 C PRO A 74 -11.622 14.798 -8.079 1.00 0.00 C ATOM 1091 O PRO A 74 -12.284 15.010 -9.095 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.533 15.837 -6.822 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.313 17.308 -6.910 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.096 17.594 -6.076 1.00 0.00 C ATOM 0 HA PRO A 74 -12.081 14.344 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.053 15.461 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.144 15.579 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.160 17.619 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.179 17.855 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.526 18.434 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.362 17.845 -5.049 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.443 14.185 -8.100 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.847 13.713 -9.345 1.00 0.00 C ATOM 1104 C LEU A 75 -9.814 12.189 -9.390 1.00 0.00 C ATOM 1105 O LEU A 75 -9.911 11.587 -10.460 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.431 14.270 -9.499 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.307 15.784 -9.311 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.993 16.132 -8.628 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.419 16.496 -10.651 1.00 0.00 C ATOM 0 H LEU A 75 -9.881 14.003 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.463 14.069 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.782 13.775 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.061 14.011 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.124 16.121 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.923 17.213 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.952 15.650 -7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.161 15.783 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.329 17.572 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.623 16.154 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.386 16.273 -11.102 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.676 11.569 -8.223 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.632 10.120 -8.152 1.00 0.00 C ATOM 1123 C GLY A 76 -10.878 9.472 -8.723 1.00 0.00 C ATOM 1124 O GLY A 76 -11.766 10.158 -9.230 1.00 0.00 O ATOM 0 H GLY A 76 -9.594 12.044 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.758 9.759 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.511 9.814 -7.113 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.944 8.147 -8.640 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.092 7.406 -9.152 1.00 0.00 C ATOM 1130 C LYS A 77 -12.640 6.452 -8.095 1.00 0.00 C ATOM 1131 O LYS A 77 -13.811 6.532 -7.721 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.699 6.623 -10.407 1.00 0.00 C ATOM 1133 CG LYS A 77 -11.019 7.475 -11.467 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.521 7.138 -12.862 1.00 0.00 C ATOM 1135 CE LYS A 77 -10.577 7.657 -13.935 1.00 0.00 C ATOM 1136 NZ LYS A 77 -9.645 6.598 -14.414 1.00 0.00 N ATOM 0 H LYS A 77 -10.217 7.565 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.872 8.123 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.032 5.809 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.592 6.168 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.201 8.529 -11.259 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.941 7.322 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.627 6.058 -12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.511 7.570 -13.008 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.157 8.038 -14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.002 8.494 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.018 6.992 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.073 6.252 -13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.192 5.810 -14.815 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.788 5.551 -7.619 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.189 4.582 -6.606 1.00 0.00 C ATOM 1152 C ASN A 78 -12.466 5.271 -5.273 1.00 0.00 C ATOM 1153 O ASN A 78 -11.949 6.354 -5.003 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.103 3.520 -6.427 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.631 2.949 -7.750 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -9.441 2.975 -8.062 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.566 2.427 -8.536 1.00 0.00 N ATOM 0 H ASN A 78 -10.816 5.471 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.107 4.100 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.255 3.956 -5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.487 2.713 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.309 2.027 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.541 2.427 -8.237 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.289 4.635 -4.444 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.636 5.187 -3.140 1.00 0.00 C ATOM 1166 C ASP A 79 -12.883 4.468 -2.026 1.00 0.00 C ATOM 1167 O ASP A 79 -12.572 5.057 -0.992 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.144 5.082 -2.903 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.641 3.651 -2.968 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.050 2.851 -3.725 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.620 3.329 -2.263 1.00 0.00 O ATOM 0 H ASP A 79 -13.727 3.738 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.346 6.238 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.386 5.504 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.669 5.680 -3.648 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.592 3.189 -2.245 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.878 2.411 -1.251 1.00 0.00 C ATOM 1178 C GLY A 80 -12.401 0.993 -1.136 1.00 0.00 C ATOM 1179 O GLY A 80 -11.666 0.082 -0.755 1.00 0.00 O ATOM 0 H GLY A 80 -12.838 2.679 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.819 2.384 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.959 2.904 -0.282 1.00 0.00 H new ATOM 1183 N SER A 81 -13.674 0.805 -1.466 1.00 0.00 N ATOM 1184 CA SER A 81 -14.295 -0.512 -1.398 1.00 0.00 C ATOM 1185 C SER A 81 -14.554 -1.064 -2.796 1.00 0.00 C ATOM 1186 O SER A 81 -15.532 -0.697 -3.448 1.00 0.00 O ATOM 1187 CB SER A 81 -15.607 -0.440 -0.616 1.00 0.00 C ATOM 1188 OG SER A 81 -16.208 0.837 -0.743 1.00 0.00 O ATOM 0 H SER A 81 -14.296 1.549 -1.783 1.00 0.00 H new ATOM 0 HA SER A 81 -13.608 -1.184 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.293 -1.206 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.419 -0.654 0.436 1.00 0.00 H new ATOM 0 HG SER A 81 -16.235 1.093 -1.689 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.673 -1.949 -3.250 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.806 -2.553 -4.571 1.00 0.00 C ATOM 1196 C VAL A 82 -13.948 -4.068 -4.471 1.00 0.00 C ATOM 1197 O VAL A 82 -13.101 -4.743 -3.887 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.597 -2.221 -5.466 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.846 -2.685 -6.893 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.298 -0.730 -5.428 1.00 0.00 C ATOM 0 H VAL A 82 -12.859 -2.264 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.707 -2.134 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.727 -2.753 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.981 -2.442 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.007 -3.763 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.728 -2.183 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.441 -0.514 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.166 -0.176 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.073 -0.430 -4.405 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.025 -4.596 -5.045 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.278 -6.031 -5.019 1.00 0.00 C ATOM 1212 C ASN A 83 -15.416 -6.535 -3.587 1.00 0.00 C ATOM 1213 O ASN A 83 -14.991 -7.645 -3.264 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.150 -6.781 -5.731 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.414 -6.952 -7.215 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.929 -5.905 -7.848 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.157 -8.012 -7.785 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.736 -4.051 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.216 -6.219 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.214 -6.241 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.023 -7.762 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.762 -8.791 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.339 -8.111 -8.784 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.012 -5.712 -2.731 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.195 -6.090 -1.343 1.00 0.00 C ATOM 1226 C GLY A 84 -14.889 -6.130 -0.575 1.00 0.00 C ATOM 1227 O GLY A 84 -14.739 -6.906 0.369 1.00 0.00 O ATOM 0 H GLY A 84 -16.372 -4.789 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.873 -5.384 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.670 -7.070 -1.296 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.940 -5.292 -0.981 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.639 -5.235 -0.325 1.00 0.00 C ATOM 1233 C LYS A 85 -12.278 -3.800 0.042 1.00 0.00 C ATOM 1234 O LYS A 85 -12.204 -2.926 -0.823 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.561 -5.828 -1.235 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.397 -6.445 -0.475 1.00 0.00 C ATOM 1237 CD LYS A 85 -10.394 -7.960 -0.591 1.00 0.00 C ATOM 1238 CE LYS A 85 -11.603 -8.574 0.096 1.00 0.00 C ATOM 1239 NZ LYS A 85 -11.788 -10.004 -0.276 1.00 0.00 N ATOM 0 H LYS A 85 -14.048 -4.644 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.695 -5.822 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.013 -6.589 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.181 -5.046 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.458 -6.048 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.456 -6.160 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.388 -8.245 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.481 -8.358 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.486 -8.492 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.497 -8.011 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.623 -10.385 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.925 -10.080 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.946 -10.547 0.002 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.053 -3.562 1.331 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.698 -2.232 1.812 1.00 0.00 C ATOM 1255 C ARG A 86 -10.188 -2.099 1.979 1.00 0.00 C ATOM 1256 O ARG A 86 -9.525 -3.011 2.473 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.397 -1.946 3.143 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.407 -0.474 3.519 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.986 -0.257 4.907 1.00 0.00 C ATOM 1260 NE ARG A 86 -12.034 -0.609 5.959 1.00 0.00 N ATOM 1261 CZ ARG A 86 -12.222 -0.340 7.249 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.321 0.285 7.650 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -11.306 -0.696 8.139 1.00 0.00 N ATOM 0 H ARG A 86 -12.110 -4.273 2.060 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.029 -1.504 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.424 -2.306 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.902 -2.511 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.391 -0.081 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.992 0.085 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.279 0.787 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.890 -0.856 5.021 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.175 -1.089 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.028 0.562 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.460 0.488 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.459 -1.175 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.449 -0.490 9.128 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.652 -0.957 1.562 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.218 -0.703 1.664 1.00 0.00 C ATOM 1279 C TYR A 87 -7.944 0.532 2.516 1.00 0.00 C ATOM 1280 O TYR A 87 -7.032 0.538 3.343 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.611 -0.522 0.272 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.849 -1.695 -0.651 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.125 -1.991 -1.113 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.798 -2.507 -1.060 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.347 -3.064 -1.957 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -7.012 -3.581 -1.903 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.288 -3.854 -2.349 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.504 -4.922 -3.189 1.00 0.00 O ATOM 0 H TYR A 87 -10.188 -0.193 1.150 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.755 -1.564 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.027 0.377 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.538 -0.361 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.957 -1.373 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.797 -2.295 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.345 -3.282 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.185 -4.203 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.653 -5.374 -3.369 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.739 1.577 2.308 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.582 2.819 3.058 1.00 0.00 C ATOM 1300 C PHE A 88 -9.938 3.386 3.462 1.00 0.00 C ATOM 1301 O PHE A 88 -10.979 2.785 3.194 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.813 3.845 2.225 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.411 4.085 0.868 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -8.063 3.284 -0.208 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.320 5.112 0.668 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.611 3.502 -1.458 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.871 5.334 -0.580 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.517 4.529 -1.644 1.00 0.00 C ATOM 0 H PHE A 88 -9.498 1.589 1.627 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.018 2.600 3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.776 4.789 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.784 3.506 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.355 2.480 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.601 5.746 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.332 2.871 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.579 6.137 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.947 4.701 -2.620 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.918 4.548 4.107 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.148 5.198 4.549 1.00 0.00 C ATOM 1320 C GLU A 89 -11.266 6.597 3.952 1.00 0.00 C ATOM 1321 O GLU A 89 -10.750 7.566 4.510 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.188 5.275 6.077 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.988 4.154 6.720 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.148 3.290 7.641 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.946 3.686 8.807 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.693 2.215 7.194 1.00 0.00 O ATOM 0 H GLU A 89 -9.065 5.059 4.335 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.992 4.602 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.168 5.249 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.616 6.233 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.816 4.582 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.423 3.530 5.940 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.947 6.695 2.816 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.133 7.976 2.145 1.00 0.00 C ATOM 1335 C CYS A 90 -13.337 7.932 1.208 1.00 0.00 C ATOM 1336 O CYS A 90 -13.814 6.856 0.847 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.873 8.351 1.361 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.378 10.081 1.543 1.00 0.00 S ATOM 0 H CYS A 90 -12.379 5.903 2.340 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.318 8.734 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.052 7.713 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.039 8.141 0.304 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.378 10.657 0.378 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.823 9.106 0.820 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.970 9.201 -0.073 1.00 0.00 C ATOM 1346 C GLN A 91 -14.618 8.688 -1.466 1.00 0.00 C ATOM 1347 O GLN A 91 -13.554 8.107 -1.674 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.460 10.648 -0.156 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.975 10.777 -0.165 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.489 11.564 -1.356 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.227 11.040 -2.189 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.098 12.830 -1.442 1.00 0.00 N ATOM 0 H GLN A 91 -13.440 10.005 1.111 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.768 8.579 0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.061 11.207 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.059 11.108 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.420 9.782 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.299 11.264 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.485 13.224 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.411 13.408 -2.222 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.519 8.909 -2.418 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.303 8.469 -3.791 1.00 0.00 C ATOM 1363 C ALA A 92 -14.701 9.585 -4.638 1.00 0.00 C ATOM 1364 O ALA A 92 -14.732 10.755 -4.253 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.610 7.987 -4.403 1.00 0.00 C ATOM 0 H ALA A 92 -16.405 9.390 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.595 7.640 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.434 7.662 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.999 7.153 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.335 8.801 -4.400 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.155 9.217 -5.792 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.545 10.188 -6.693 1.00 0.00 C ATOM 1373 C LYS A 93 -12.391 10.915 -6.011 1.00 0.00 C ATOM 1374 O LYS A 93 -12.169 12.103 -6.242 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.589 11.199 -7.169 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.484 10.673 -8.280 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.889 11.247 -8.185 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.569 10.840 -6.888 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.025 10.592 -7.080 1.00 0.00 N ATOM 0 H LYS A 93 -14.122 8.254 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.152 9.649 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.210 11.493 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.080 12.097 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.051 10.927 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.530 9.585 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.844 12.334 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.482 10.903 -9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.096 9.940 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.429 11.623 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.453 10.317 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.482 11.459 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.159 9.827 -7.772 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.657 10.192 -5.170 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.525 10.768 -4.454 1.00 0.00 C ATOM 1395 C TYR A 94 -9.385 9.761 -4.338 1.00 0.00 C ATOM 1396 O TYR A 94 -8.274 10.009 -4.808 1.00 0.00 O ATOM 1397 CB TYR A 94 -10.956 11.229 -3.061 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.813 12.475 -3.072 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.305 13.685 -3.528 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.129 12.441 -2.629 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.085 14.827 -3.540 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.915 13.578 -2.638 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.387 14.768 -3.094 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.167 15.902 -3.105 1.00 0.00 O ATOM 0 H TYR A 94 -11.826 9.207 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.170 11.629 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.507 10.424 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.067 11.415 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.285 13.735 -3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.545 11.511 -2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.675 15.760 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.937 13.535 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 94 -15.059 15.689 -2.760 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.669 8.624 -3.711 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.657 7.598 -3.545 1.00 0.00 C ATOM 1416 C GLY A 95 -8.627 6.619 -4.703 1.00 0.00 C ATOM 1417 O GLY A 95 -9.402 5.663 -4.736 1.00 0.00 O ATOM 0 H GLY A 95 -10.581 8.395 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.679 8.069 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.844 7.055 -2.619 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.733 6.859 -5.656 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.606 5.993 -6.821 1.00 0.00 C ATOM 1423 C ALA A 96 -6.491 4.970 -6.625 1.00 0.00 C ATOM 1424 O ALA A 96 -5.603 5.157 -5.793 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.353 6.823 -8.071 1.00 0.00 C ATOM 0 H ALA A 96 -7.085 7.647 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.543 5.450 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.260 6.163 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.186 7.509 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.432 7.393 -7.949 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.544 3.890 -7.398 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.539 2.837 -7.311 1.00 0.00 C ATOM 1433 C PHE A 97 -4.590 2.887 -8.503 1.00 0.00 C ATOM 1434 O PHE A 97 -5.013 2.745 -9.652 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.213 1.466 -7.237 1.00 0.00 C ATOM 1436 CG PHE A 97 -6.878 1.193 -5.918 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.143 1.195 -4.744 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.238 0.935 -5.853 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.752 0.944 -3.529 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.852 0.683 -4.642 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.108 0.688 -3.477 1.00 0.00 C ATOM 0 H PHE A 97 -7.272 3.721 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.958 2.999 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -6.956 1.392 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.468 0.693 -7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.082 1.395 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.824 0.931 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.168 0.948 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.913 0.482 -4.605 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.586 0.492 -2.529 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.307 3.089 -8.225 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.296 3.157 -9.274 1.00 0.00 C ATOM 1453 C VAL A 98 -1.231 2.083 -9.079 1.00 0.00 C ATOM 1454 O VAL A 98 -1.170 1.440 -8.031 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.616 4.538 -9.313 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.543 5.575 -9.928 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.183 4.959 -7.917 1.00 0.00 C ATOM 0 H VAL A 98 -2.942 3.209 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.810 2.989 -10.220 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.726 4.466 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.044 6.544 -9.946 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.797 5.278 -10.946 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.454 5.647 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.704 5.937 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.056 5.013 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.478 4.229 -7.519 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.396 1.893 -10.094 1.00 0.00 N ATOM 1468 CA LYS A 99 0.666 0.895 -10.032 1.00 0.00 C ATOM 1469 C LYS A 99 1.981 1.523 -9.576 1.00 0.00 C ATOM 1470 O LYS A 99 2.226 2.706 -9.807 1.00 0.00 O ATOM 1471 CB LYS A 99 0.854 0.233 -11.398 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.450 -0.205 -12.046 1.00 0.00 C ATOM 1473 CD LYS A 99 -1.127 -1.306 -11.247 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.586 -2.678 -11.619 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.669 -3.694 -11.717 1.00 0.00 N ATOM 0 H LYS A 99 -0.433 2.416 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 99 0.373 0.138 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.365 0.930 -12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.504 -0.635 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.121 0.650 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.254 -0.557 -13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.975 -1.130 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.202 -1.277 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.060 -2.615 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.143 -2.995 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.387 -4.553 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.542 -3.312 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.836 -3.928 -12.716 1.00 0.00 H new ATOM 1489 N PRO A 100 2.848 0.731 -8.913 1.00 0.00 N ATOM 1490 CA PRO A 100 4.141 1.216 -8.429 1.00 0.00 C ATOM 1491 C PRO A 100 4.865 2.019 -9.498 1.00 0.00 C ATOM 1492 O PRO A 100 5.271 3.158 -9.271 1.00 0.00 O ATOM 1493 CB PRO A 100 4.899 -0.072 -8.110 1.00 0.00 C ATOM 1494 CG PRO A 100 3.836 -1.055 -7.759 1.00 0.00 C ATOM 1495 CD PRO A 100 2.635 -0.693 -8.594 1.00 0.00 C ATOM 0 HA PRO A 100 4.049 1.886 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.485 -0.410 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.595 0.072 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.163 -2.073 -7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.599 -1.009 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.577 -1.301 -9.497 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.705 -0.846 -8.046 1.00 0.00 H new ATOM 1503 N SER A 101 4.998 1.420 -10.679 1.00 0.00 N ATOM 1504 CA SER A 101 5.642 2.086 -11.799 1.00 0.00 C ATOM 1505 C SER A 101 4.940 3.408 -12.083 1.00 0.00 C ATOM 1506 O SER A 101 5.532 4.333 -12.638 1.00 0.00 O ATOM 1507 CB SER A 101 5.613 1.195 -13.042 1.00 0.00 C ATOM 1508 OG SER A 101 5.849 1.950 -14.217 1.00 0.00 O ATOM 0 H SER A 101 4.668 0.476 -10.881 1.00 0.00 H new ATOM 0 HA SER A 101 6.683 2.281 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.367 0.414 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.646 0.697 -13.114 1.00 0.00 H new ATOM 0 HG SER A 101 5.827 1.357 -14.997 1.00 0.00 H new ATOM 1514 N ALA A 102 3.673 3.492 -11.676 1.00 0.00 N ATOM 1515 CA ALA A 102 2.891 4.704 -11.865 1.00 0.00 C ATOM 1516 C ALA A 102 3.023 5.625 -10.654 1.00 0.00 C ATOM 1517 O ALA A 102 2.645 6.795 -10.710 1.00 0.00 O ATOM 1518 CB ALA A 102 1.432 4.359 -12.115 1.00 0.00 C ATOM 0 H ALA A 102 3.171 2.734 -11.214 1.00 0.00 H new ATOM 0 HA ALA A 102 3.278 5.230 -12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.860 5.276 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.352 3.742 -13.010 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.036 3.811 -11.260 1.00 0.00 H new ATOM 1524 N VAL A 103 3.564 5.089 -9.559 1.00 0.00 N ATOM 1525 CA VAL A 103 3.744 5.867 -8.339 1.00 0.00 C ATOM 1526 C VAL A 103 5.193 6.316 -8.185 1.00 0.00 C ATOM 1527 O VAL A 103 6.121 5.533 -8.385 1.00 0.00 O ATOM 1528 CB VAL A 103 3.333 5.062 -7.091 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.340 5.950 -5.856 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.965 4.428 -7.293 1.00 0.00 C ATOM 0 H VAL A 103 3.883 4.122 -9.495 1.00 0.00 H new ATOM 0 HA VAL A 103 3.100 6.742 -8.424 1.00 0.00 H new ATOM 0 HB VAL A 103 4.060 4.264 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.047 5.364 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.341 6.352 -5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.636 6.771 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.691 3.863 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.225 5.208 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.998 3.757 -8.152 1.00 0.00 H new ATOM 1540 N THR A 104 5.380 7.584 -7.829 1.00 0.00 N ATOM 1541 CA THR A 104 6.718 8.137 -7.648 1.00 0.00 C ATOM 1542 C THR A 104 6.812 8.922 -6.345 1.00 0.00 C ATOM 1543 O THR A 104 6.203 9.982 -6.202 1.00 0.00 O ATOM 1544 CB THR A 104 7.081 9.040 -8.828 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.817 8.389 -10.058 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.535 9.460 -8.835 1.00 0.00 C ATOM 0 H THR A 104 4.623 8.247 -7.660 1.00 0.00 H new ATOM 0 HA THR A 104 7.424 7.308 -7.602 1.00 0.00 H new ATOM 0 HB THR A 104 6.462 9.930 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.054 8.983 -10.800 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.725 10.099 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.760 10.009 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.169 8.575 -8.892 1.00 0.00 H new ATOM 1554 N VAL A 105 7.580 8.394 -5.397 1.00 0.00 N ATOM 1555 CA VAL A 105 7.755 9.046 -4.104 1.00 0.00 C ATOM 1556 C VAL A 105 8.727 10.217 -4.208 1.00 0.00 C ATOM 1557 O VAL A 105 9.845 10.065 -4.700 1.00 0.00 O ATOM 1558 CB VAL A 105 8.270 8.059 -3.040 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.297 8.714 -1.668 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.414 6.800 -3.019 1.00 0.00 C ATOM 0 H VAL A 105 8.091 7.517 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 105 6.775 9.414 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 105 9.289 7.775 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.664 8.000 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.956 9.582 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.290 9.031 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.793 6.115 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.383 7.065 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.452 6.318 -3.996 1.00 0.00 H new ATOM 1570 N GLY A 106 8.294 11.383 -3.742 1.00 0.00 N ATOM 1571 CA GLY A 106 9.139 12.562 -3.792 1.00 0.00 C ATOM 1572 C GLY A 106 10.121 12.622 -2.639 1.00 0.00 C ATOM 1573 O GLY A 106 11.247 13.092 -2.798 1.00 0.00 O ATOM 0 H GLY A 106 7.373 11.533 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.688 12.572 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.513 13.454 -3.779 1.00 0.00 H new ATOM 1577 N ASP A 107 9.692 12.146 -1.474 1.00 0.00 N ATOM 1578 CA ASP A 107 10.541 12.147 -0.289 1.00 0.00 C ATOM 1579 C ASP A 107 9.903 11.344 0.839 1.00 0.00 C ATOM 1580 O ASP A 107 8.689 11.396 1.042 1.00 0.00 O ATOM 1581 CB ASP A 107 10.803 13.582 0.175 1.00 0.00 C ATOM 1582 CG ASP A 107 11.780 13.646 1.331 1.00 0.00 C ATOM 1583 OD1 ASP A 107 12.743 12.850 1.340 1.00 0.00 O ATOM 1584 OD2 ASP A 107 11.584 14.494 2.229 1.00 0.00 O ATOM 0 H ASP A 107 8.762 11.755 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 107 11.489 11.678 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.193 14.165 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.861 14.042 0.473 1.00 0.00 H new ATOM 1589 N SER A 108 10.727 10.600 1.570 1.00 0.00 N ATOM 1590 CA SER A 108 10.242 9.786 2.677 1.00 0.00 C ATOM 1591 C SER A 108 10.549 10.449 4.017 1.00 0.00 C ATOM 1592 O SER A 108 11.425 11.308 4.108 1.00 0.00 O ATOM 1593 CB SER A 108 10.873 8.393 2.629 1.00 0.00 C ATOM 1594 OG SER A 108 9.960 7.402 3.065 1.00 0.00 O ATOM 0 H SER A 108 11.734 10.545 1.415 1.00 0.00 H new ATOM 0 HA SER A 108 9.161 9.692 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.195 8.172 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.764 8.372 3.257 1.00 0.00 H new ATOM 0 HG SER A 108 10.388 6.521 3.023 1.00 0.00 H new ATOM 1600 N GLY A 109 9.823 10.043 5.053 1.00 0.00 N ATOM 1601 CA GLY A 109 10.033 10.608 6.373 1.00 0.00 C ATOM 1602 C GLY A 109 9.915 9.572 7.474 1.00 0.00 C ATOM 1603 O GLY A 109 8.826 9.347 8.003 1.00 0.00 O ATOM 0 H GLY A 109 9.093 9.333 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.021 11.067 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.305 11.401 6.545 1.00 0.00 H new ATOM 1607 N PRO A 110 11.028 8.917 7.847 1.00 0.00 N ATOM 1608 CA PRO A 110 11.031 7.897 8.900 1.00 0.00 C ATOM 1609 C PRO A 110 10.803 8.493 10.284 1.00 0.00 C ATOM 1610 O PRO A 110 11.575 9.336 10.742 1.00 0.00 O ATOM 1611 CB PRO A 110 12.431 7.288 8.802 1.00 0.00 C ATOM 1612 CG PRO A 110 13.271 8.363 8.207 1.00 0.00 C ATOM 1613 CD PRO A 110 12.372 9.122 7.271 1.00 0.00 C ATOM 0 HA PRO A 110 10.228 7.172 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.803 6.992 9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.431 6.394 8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.671 9.018 8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 110 14.123 7.942 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.635 10.179 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.436 8.738 6.253 1.00 0.00 H new ATOM 1621 N SER A 111 9.739 8.051 10.946 1.00 0.00 N ATOM 1622 CA SER A 111 9.409 8.541 12.279 1.00 0.00 C ATOM 1623 C SER A 111 10.050 7.666 13.353 1.00 0.00 C ATOM 1624 O SER A 111 9.361 7.109 14.208 1.00 0.00 O ATOM 1625 CB SER A 111 7.891 8.579 12.469 1.00 0.00 C ATOM 1626 OG SER A 111 7.545 9.223 13.683 1.00 0.00 O ATOM 0 H SER A 111 9.090 7.354 10.581 1.00 0.00 H new ATOM 0 HA SER A 111 9.804 9.552 12.378 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.430 9.102 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.496 7.563 12.467 1.00 0.00 H new ATOM 0 HG SER A 111 7.921 8.723 14.437 1.00 0.00 H new ATOM 1632 N SER A 112 11.373 7.550 13.303 1.00 0.00 N ATOM 1633 CA SER A 112 12.107 6.744 14.271 1.00 0.00 C ATOM 1634 C SER A 112 12.563 7.596 15.452 1.00 0.00 C ATOM 1635 O SER A 112 13.559 8.313 15.365 1.00 0.00 O ATOM 1636 CB SER A 112 13.316 6.085 13.605 1.00 0.00 C ATOM 1637 OG SER A 112 14.051 5.309 14.535 1.00 0.00 O ATOM 0 H SER A 112 11.959 8.004 12.602 1.00 0.00 H new ATOM 0 HA SER A 112 11.438 5.967 14.642 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.982 5.452 12.783 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.961 6.851 13.176 1.00 0.00 H new ATOM 0 HG SER A 112 14.818 4.897 14.084 1.00 0.00 H new ATOM 1643 N GLY A 113 11.827 7.510 16.555 1.00 0.00 N ATOM 1644 CA GLY A 113 12.172 8.277 17.738 1.00 0.00 C ATOM 1645 C GLY A 113 11.990 7.484 19.017 1.00 0.00 C ATOM 1646 O GLY A 113 12.284 8.031 20.101 1.00 0.00 O ATOM 1647 OXT GLY A 113 11.554 6.317 18.935 1.00 0.00 O ATOM 0 H GLY A 113 10.998 6.923 16.651 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.208 8.608 17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.554 9.174 17.779 1.00 0.00 H new TER 1651 GLY A 113