USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 THR OG1 : rot -60:sc= -1.53! USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.849! C(o=-10!,f=-2.4!) USER MOD Single : A 40 THR OG1 : rot 18:sc= 0.815 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.0732 (180deg=-0.473) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0473 (180deg=-0.483) USER MOD Single : A 47 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -66:sc= 0.0866 USER MOD Single : A 61 GLN : amide:sc= -0.0431 K(o=-0.043,f=-2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -93:sc= 1.08 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.37 K(o=-1.4,f=-7.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -6.45! C(o=-8!,f=-6.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -0.0502 (180deg=-0.504) USER MOD Single : A 99 ASN : amide:sc=-0.00336 X(o=-0.0034,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.994 K(o=-0.99,f=-1.7!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -40.151 7.027 -21.648 1.00 0.00 N ATOM 2 CA THR A 40 -40.052 5.543 -21.738 1.00 0.00 C ATOM 3 C THR A 40 -39.984 4.955 -20.332 1.00 0.00 C ATOM 4 O THR A 40 -40.436 5.572 -19.368 1.00 0.00 O ATOM 5 CB THR A 40 -38.795 5.164 -22.524 1.00 0.00 C ATOM 6 OG1 THR A 40 -38.376 6.274 -23.307 1.00 0.00 O ATOM 7 CG2 THR A 40 -39.103 3.978 -23.440 1.00 0.00 C ATOM 0 HA THR A 40 -40.928 5.146 -22.251 1.00 0.00 H new ATOM 0 HB THR A 40 -38.001 4.888 -21.830 1.00 0.00 H new ATOM 0 HG1 THR A 40 -38.796 7.091 -22.967 1.00 0.00 H new ATOM 0 HG21 THR A 40 -38.207 3.708 -24.000 1.00 0.00 H new ATOM 0 HG22 THR A 40 -39.425 3.128 -22.839 1.00 0.00 H new ATOM 0 HG23 THR A 40 -39.897 4.252 -24.135 1.00 0.00 H new ATOM 14 N LYS A 41 -39.415 3.759 -20.223 1.00 0.00 N ATOM 15 CA LYS A 41 -39.291 3.098 -18.929 1.00 0.00 C ATOM 16 C LYS A 41 -40.650 3.005 -18.240 1.00 0.00 C ATOM 17 O LYS A 41 -40.755 3.200 -17.030 1.00 0.00 O ATOM 18 CB LYS A 41 -38.319 3.873 -18.039 1.00 0.00 C ATOM 19 CG LYS A 41 -36.928 3.869 -18.675 1.00 0.00 C ATOM 20 CD LYS A 41 -35.952 4.635 -17.778 1.00 0.00 C ATOM 21 CE LYS A 41 -34.557 4.611 -18.401 1.00 0.00 C ATOM 22 NZ LYS A 41 -34.588 5.317 -19.714 1.00 0.00 N ATOM 0 H LYS A 41 -39.035 3.231 -21.009 1.00 0.00 H new ATOM 0 HA LYS A 41 -38.910 2.090 -19.093 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -38.667 4.898 -17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -38.278 3.421 -17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -36.583 2.844 -18.813 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -36.967 4.328 -19.663 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -36.288 5.664 -17.653 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -35.926 4.186 -16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -33.841 5.091 -17.734 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -34.225 3.582 -18.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -33.621 5.586 -19.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -34.989 4.687 -20.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -35.176 6.171 -19.635 1.00 0.00 H new ATOM 36 N GLN A 42 -41.686 2.708 -19.019 1.00 0.00 N ATOM 37 CA GLN A 42 -43.032 2.595 -18.469 1.00 0.00 C ATOM 38 C GLN A 42 -43.127 1.410 -17.513 1.00 0.00 C ATOM 39 O GLN A 42 -43.948 1.405 -16.595 1.00 0.00 O ATOM 40 CB GLN A 42 -44.047 2.433 -19.603 1.00 0.00 C ATOM 41 CG GLN A 42 -43.781 1.124 -20.355 1.00 0.00 C ATOM 42 CD GLN A 42 -44.709 1.019 -21.561 1.00 0.00 C ATOM 43 OE1 GLN A 42 -45.930 1.062 -21.410 1.00 0.00 O ATOM 44 NE2 GLN A 42 -44.200 0.886 -22.755 1.00 0.00 N ATOM 0 H GLN A 42 -41.621 2.543 -20.023 1.00 0.00 H new ATOM 0 HA GLN A 42 -43.255 3.506 -17.913 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -45.060 2.432 -19.200 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -43.978 3.278 -20.289 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -42.742 1.087 -20.681 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -43.937 0.275 -19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -43.188 0.851 -22.877 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -44.814 0.817 -23.566 1.00 0.00 H new ATOM 53 N LYS A 43 -42.281 0.409 -17.732 1.00 0.00 N ATOM 54 CA LYS A 43 -42.275 -0.775 -16.880 1.00 0.00 C ATOM 55 C LYS A 43 -40.902 -1.440 -16.910 1.00 0.00 C ATOM 56 O LYS A 43 -40.311 -1.610 -17.977 1.00 0.00 O ATOM 57 CB LYS A 43 -43.341 -1.765 -17.357 1.00 0.00 C ATOM 58 CG LYS A 43 -43.387 -2.973 -16.413 1.00 0.00 C ATOM 59 CD LYS A 43 -44.489 -3.933 -16.865 1.00 0.00 C ATOM 60 CE LYS A 43 -44.560 -5.120 -15.905 1.00 0.00 C ATOM 61 NZ LYS A 43 -43.279 -5.880 -15.959 1.00 0.00 N ATOM 0 H LYS A 43 -41.595 0.393 -18.487 1.00 0.00 H new ATOM 0 HA LYS A 43 -42.498 -0.472 -15.857 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -44.316 -1.278 -17.387 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -43.117 -2.093 -18.372 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -42.424 -3.483 -16.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -43.575 -2.643 -15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -45.448 -3.416 -16.891 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -44.288 -4.283 -17.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -44.745 -4.770 -14.890 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -45.393 -5.770 -16.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -43.430 -6.841 -15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -42.948 -5.933 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -42.564 -5.396 -15.379 1.00 0.00 H new ATOM 75 N GLU A 44 -40.398 -1.813 -15.739 1.00 0.00 N ATOM 76 CA GLU A 44 -39.092 -2.457 -15.656 1.00 0.00 C ATOM 77 C GLU A 44 -39.183 -3.917 -16.088 1.00 0.00 C ATOM 78 O GLU A 44 -40.098 -4.637 -15.691 1.00 0.00 O ATOM 79 CB GLU A 44 -38.560 -2.377 -14.224 1.00 0.00 C ATOM 80 CG GLU A 44 -38.221 -0.925 -13.883 1.00 0.00 C ATOM 81 CD GLU A 44 -37.811 -0.814 -12.418 1.00 0.00 C ATOM 82 OE1 GLU A 44 -37.981 -1.787 -11.701 1.00 0.00 O ATOM 83 OE2 GLU A 44 -37.334 0.241 -12.035 1.00 0.00 O ATOM 0 H GLU A 44 -40.868 -1.683 -14.843 1.00 0.00 H new ATOM 0 HA GLU A 44 -38.409 -1.936 -16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -39.305 -2.761 -13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -37.673 -3.002 -14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -37.412 -0.572 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -39.083 -0.287 -14.077 1.00 0.00 H new ATOM 90 N ALA A 45 -38.219 -4.347 -16.897 1.00 0.00 N ATOM 91 CA ALA A 45 -38.189 -5.725 -17.373 1.00 0.00 C ATOM 92 C ALA A 45 -37.339 -6.591 -16.449 1.00 0.00 C ATOM 93 O ALA A 45 -37.187 -7.793 -16.673 1.00 0.00 O ATOM 94 CB ALA A 45 -37.620 -5.778 -18.792 1.00 0.00 C ATOM 0 H ALA A 45 -37.453 -3.765 -17.235 1.00 0.00 H new ATOM 0 HA ALA A 45 -39.209 -6.109 -17.378 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -37.602 -6.811 -19.138 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -38.246 -5.183 -19.457 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.606 -5.377 -18.793 1.00 0.00 H new ATOM 100 N VAL A 46 -36.778 -5.965 -15.419 1.00 0.00 N ATOM 101 CA VAL A 46 -35.930 -6.672 -14.467 1.00 0.00 C ATOM 102 C VAL A 46 -36.382 -6.397 -13.036 1.00 0.00 C ATOM 103 O VAL A 46 -37.144 -5.464 -12.783 1.00 0.00 O ATOM 104 CB VAL A 46 -34.479 -6.225 -14.638 1.00 0.00 C ATOM 105 CG1 VAL A 46 -34.003 -6.559 -16.053 1.00 0.00 C ATOM 106 CG2 VAL A 46 -34.381 -4.714 -14.410 1.00 0.00 C ATOM 0 H VAL A 46 -36.895 -4.971 -15.223 1.00 0.00 H new ATOM 0 HA VAL A 46 -36.010 -7.742 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 46 -33.852 -6.744 -13.913 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -32.968 -6.240 -16.174 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -34.072 -7.635 -16.216 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -34.629 -6.041 -16.779 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -33.346 -4.394 -14.532 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -35.009 -4.195 -15.134 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -34.718 -4.476 -13.401 1.00 0.00 H new ATOM 116 N ASN A 47 -35.910 -7.219 -12.105 1.00 0.00 N ATOM 117 CA ASN A 47 -36.272 -7.061 -10.701 1.00 0.00 C ATOM 118 C ASN A 47 -35.854 -5.685 -10.195 1.00 0.00 C ATOM 119 O ASN A 47 -34.847 -5.130 -10.632 1.00 0.00 O ATOM 120 CB ASN A 47 -35.597 -8.146 -9.860 1.00 0.00 C ATOM 121 CG ASN A 47 -36.226 -9.502 -10.155 1.00 0.00 C ATOM 122 OD1 ASN A 47 -37.349 -9.572 -10.655 1.00 0.00 O ATOM 123 ND2 ASN A 47 -35.567 -10.593 -9.874 1.00 0.00 N ATOM 0 H ASN A 47 -35.279 -7.998 -12.295 1.00 0.00 H new ATOM 0 HA ASN A 47 -37.354 -7.156 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -34.530 -8.176 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -35.698 -7.912 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -35.982 -11.504 -10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -34.637 -10.535 -9.460 1.00 0.00 H new ATOM 130 N ASP A 48 -36.639 -5.140 -9.272 1.00 0.00 N ATOM 131 CA ASP A 48 -36.348 -3.826 -8.711 1.00 0.00 C ATOM 132 C ASP A 48 -35.014 -3.834 -7.972 1.00 0.00 C ATOM 133 O ASP A 48 -34.663 -4.814 -7.312 1.00 0.00 O ATOM 134 CB ASP A 48 -37.463 -3.410 -7.750 1.00 0.00 C ATOM 135 CG ASP A 48 -38.759 -3.182 -8.523 1.00 0.00 C ATOM 136 OD1 ASP A 48 -39.521 -4.126 -8.652 1.00 0.00 O ATOM 137 OD2 ASP A 48 -38.969 -2.069 -8.971 1.00 0.00 O ATOM 0 H ASP A 48 -37.477 -5.585 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 48 -36.287 -3.111 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -37.611 -4.182 -6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -37.179 -2.499 -7.223 1.00 0.00 H new ATOM 142 N LYS A 49 -34.278 -2.733 -8.082 1.00 0.00 N ATOM 143 CA LYS A 49 -32.985 -2.616 -7.419 1.00 0.00 C ATOM 144 C LYS A 49 -33.150 -1.974 -6.045 1.00 0.00 C ATOM 145 O LYS A 49 -32.170 -1.743 -5.335 1.00 0.00 O ATOM 146 CB LYS A 49 -32.030 -1.778 -8.271 1.00 0.00 C ATOM 147 CG LYS A 49 -31.736 -2.513 -9.581 1.00 0.00 C ATOM 148 CD LYS A 49 -30.779 -1.676 -10.432 1.00 0.00 C ATOM 149 CE LYS A 49 -30.485 -2.410 -11.741 1.00 0.00 C ATOM 150 NZ LYS A 49 -29.558 -1.591 -12.572 1.00 0.00 N ATOM 0 H LYS A 49 -34.553 -1.912 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 49 -32.568 -3.615 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -32.472 -0.804 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -31.103 -1.598 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -31.296 -3.488 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -32.663 -2.692 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -31.219 -0.701 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -29.852 -1.497 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -30.040 -3.383 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -31.412 -2.593 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.358 -2.090 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.999 -0.673 -12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.670 -1.438 -12.053 1.00 0.00 H new ATOM 164 N GLY A 50 -34.394 -1.690 -5.679 1.00 0.00 N ATOM 165 CA GLY A 50 -34.675 -1.075 -4.386 1.00 0.00 C ATOM 166 C GLY A 50 -34.235 0.387 -4.364 1.00 0.00 C ATOM 167 O GLY A 50 -33.786 0.892 -3.336 1.00 0.00 O ATOM 0 H GLY A 50 -35.218 -1.873 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -35.742 -1.140 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -34.159 -1.625 -3.599 1.00 0.00 H new ATOM 171 N LYS A 51 -34.364 1.058 -5.505 1.00 0.00 N ATOM 172 CA LYS A 51 -33.972 2.460 -5.601 1.00 0.00 C ATOM 173 C LYS A 51 -34.782 3.304 -4.622 1.00 0.00 C ATOM 174 O LYS A 51 -34.254 4.228 -4.001 1.00 0.00 O ATOM 175 CB LYS A 51 -34.204 2.976 -7.024 1.00 0.00 C ATOM 176 CG LYS A 51 -33.189 2.330 -7.976 1.00 0.00 C ATOM 177 CD LYS A 51 -33.260 2.989 -9.361 1.00 0.00 C ATOM 178 CE LYS A 51 -34.548 2.579 -10.082 1.00 0.00 C ATOM 179 NZ LYS A 51 -34.501 3.074 -11.488 1.00 0.00 N ATOM 0 H LYS A 51 -34.733 0.658 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 51 -32.913 2.539 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -35.219 2.743 -7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -34.103 4.061 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -32.183 2.432 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -33.391 1.262 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -33.223 4.073 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -32.394 2.696 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -34.657 1.495 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -35.415 2.993 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -35.373 2.798 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -34.416 4.110 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -33.681 2.659 -11.975 1.00 0.00 H new ATOM 193 N ALA A 52 -36.062 2.981 -4.483 1.00 0.00 N ATOM 194 CA ALA A 52 -36.927 3.716 -3.570 1.00 0.00 C ATOM 195 C ALA A 52 -36.397 3.607 -2.143 1.00 0.00 C ATOM 196 O ALA A 52 -36.415 4.579 -1.387 1.00 0.00 O ATOM 197 CB ALA A 52 -38.352 3.160 -3.633 1.00 0.00 C ATOM 0 H ALA A 52 -36.521 2.222 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 52 -36.938 4.764 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -38.990 3.716 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -38.737 3.259 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -38.345 2.108 -3.349 1.00 0.00 H new ATOM 203 N ALA A 53 -35.916 2.421 -1.785 1.00 0.00 N ATOM 204 CA ALA A 53 -35.373 2.197 -0.451 1.00 0.00 C ATOM 205 C ALA A 53 -34.137 3.064 -0.233 1.00 0.00 C ATOM 206 O ALA A 53 -33.372 3.314 -1.165 1.00 0.00 O ATOM 207 CB ALA A 53 -35.006 0.724 -0.276 1.00 0.00 C ATOM 0 H ALA A 53 -35.891 1.605 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 53 -36.131 2.467 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -34.601 0.566 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -35.896 0.109 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -34.258 0.445 -1.018 1.00 0.00 H new ATOM 213 N VAL A 54 -33.950 3.526 0.998 1.00 0.00 N ATOM 214 CA VAL A 54 -32.805 4.372 1.318 1.00 0.00 C ATOM 215 C VAL A 54 -31.509 3.739 0.818 1.00 0.00 C ATOM 216 O VAL A 54 -31.210 2.584 1.122 1.00 0.00 O ATOM 217 CB VAL A 54 -32.725 4.590 2.831 1.00 0.00 C ATOM 218 CG1 VAL A 54 -32.154 3.338 3.499 1.00 0.00 C ATOM 219 CG2 VAL A 54 -31.816 5.785 3.127 1.00 0.00 C ATOM 0 H VAL A 54 -34.570 3.332 1.785 1.00 0.00 H new ATOM 0 HA VAL A 54 -32.936 5.333 0.820 1.00 0.00 H new ATOM 0 HB VAL A 54 -33.723 4.786 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -32.097 3.494 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -32.801 2.486 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -31.156 3.140 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.759 5.941 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.818 5.589 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -32.223 6.678 2.653 1.00 0.00 H new ATOM 229 N VAL A 55 -30.748 4.506 0.044 1.00 0.00 N ATOM 230 CA VAL A 55 -29.484 4.023 -0.504 1.00 0.00 C ATOM 231 C VAL A 55 -28.470 3.762 0.609 1.00 0.00 C ATOM 232 O VAL A 55 -27.470 3.080 0.403 1.00 0.00 O ATOM 233 CB VAL A 55 -28.911 5.049 -1.483 1.00 0.00 C ATOM 234 CG1 VAL A 55 -28.413 6.272 -0.711 1.00 0.00 C ATOM 235 CG2 VAL A 55 -27.744 4.425 -2.253 1.00 0.00 C ATOM 0 H VAL A 55 -30.983 5.463 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 55 -29.678 3.086 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 55 -29.689 5.353 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -28.005 7.002 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -29.242 6.719 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -27.636 5.968 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -27.336 5.156 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -26.967 4.120 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -28.097 3.554 -2.806 1.00 0.00 H new ATOM 245 N LYS A 56 -28.730 4.330 1.781 1.00 0.00 N ATOM 246 CA LYS A 56 -27.833 4.176 2.923 1.00 0.00 C ATOM 247 C LYS A 56 -27.674 2.705 3.314 1.00 0.00 C ATOM 248 O LYS A 56 -26.582 2.270 3.677 1.00 0.00 O ATOM 249 CB LYS A 56 -28.378 4.986 4.112 1.00 0.00 C ATOM 250 CG LYS A 56 -27.480 4.847 5.358 1.00 0.00 C ATOM 251 CD LYS A 56 -26.099 5.470 5.113 1.00 0.00 C ATOM 252 CE LYS A 56 -25.335 5.545 6.435 1.00 0.00 C ATOM 253 NZ LYS A 56 -23.988 6.138 6.201 1.00 0.00 N ATOM 0 H LYS A 56 -29.554 4.902 1.967 1.00 0.00 H new ATOM 0 HA LYS A 56 -26.849 4.551 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.452 6.037 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -29.386 4.648 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.956 5.333 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.367 3.793 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -25.541 4.873 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -26.208 6.467 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -25.889 6.149 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -25.235 4.549 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.470 6.188 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.459 5.545 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -24.094 7.095 5.808 1.00 0.00 H new ATOM 267 N VAL A 57 -28.765 1.951 3.266 1.00 0.00 N ATOM 268 CA VAL A 57 -28.722 0.540 3.646 1.00 0.00 C ATOM 269 C VAL A 57 -27.744 -0.244 2.771 1.00 0.00 C ATOM 270 O VAL A 57 -26.943 -1.028 3.279 1.00 0.00 O ATOM 271 CB VAL A 57 -30.118 -0.073 3.523 1.00 0.00 C ATOM 272 CG1 VAL A 57 -30.026 -1.592 3.692 1.00 0.00 C ATOM 273 CG2 VAL A 57 -31.024 0.506 4.610 1.00 0.00 C ATOM 0 H VAL A 57 -29.682 2.286 2.971 1.00 0.00 H new ATOM 0 HA VAL A 57 -28.380 0.482 4.679 1.00 0.00 H new ATOM 0 HB VAL A 57 -30.532 0.158 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -31.021 -2.029 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -29.379 -2.006 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -29.613 -1.825 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -32.019 0.070 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -30.610 0.274 5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -31.090 1.587 4.491 1.00 0.00 H new ATOM 283 N VAL A 58 -27.813 -0.037 1.461 1.00 0.00 N ATOM 284 CA VAL A 58 -26.924 -0.742 0.542 1.00 0.00 C ATOM 285 C VAL A 58 -25.546 -0.085 0.499 1.00 0.00 C ATOM 286 O VAL A 58 -24.569 -0.698 0.067 1.00 0.00 O ATOM 287 CB VAL A 58 -27.526 -0.758 -0.864 1.00 0.00 C ATOM 288 CG1 VAL A 58 -28.853 -1.518 -0.843 1.00 0.00 C ATOM 289 CG2 VAL A 58 -27.772 0.679 -1.325 1.00 0.00 C ATOM 0 H VAL A 58 -28.467 0.605 1.014 1.00 0.00 H new ATOM 0 HA VAL A 58 -26.811 -1.764 0.902 1.00 0.00 H new ATOM 0 HB VAL A 58 -26.836 -1.250 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -29.282 -1.529 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -28.681 -2.542 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -29.544 -1.026 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -28.201 0.671 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -28.463 1.168 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.828 1.223 -1.339 1.00 0.00 H new ATOM 299 N GLU A 59 -25.478 1.170 0.929 1.00 0.00 N ATOM 300 CA GLU A 59 -24.235 1.908 0.917 1.00 0.00 C ATOM 301 C GLU A 59 -23.178 1.211 1.771 1.00 0.00 C ATOM 302 O GLU A 59 -22.026 1.084 1.355 1.00 0.00 O ATOM 303 CB GLU A 59 -24.499 3.314 1.450 1.00 0.00 C ATOM 304 CG GLU A 59 -23.220 4.128 1.367 1.00 0.00 C ATOM 305 CD GLU A 59 -23.480 5.564 1.807 1.00 0.00 C ATOM 306 OE1 GLU A 59 -24.611 5.862 2.152 1.00 0.00 O ATOM 307 OE2 GLU A 59 -22.543 6.346 1.794 1.00 0.00 O ATOM 0 H GLU A 59 -26.276 1.693 1.290 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.856 1.959 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -25.288 3.794 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -24.847 3.265 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.453 3.680 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.839 4.116 0.346 1.00 0.00 H new ATOM 314 N SER A 60 -23.565 0.756 2.958 1.00 0.00 N ATOM 315 CA SER A 60 -22.622 0.073 3.835 1.00 0.00 C ATOM 316 C SER A 60 -22.135 -1.216 3.181 1.00 0.00 C ATOM 317 O SER A 60 -20.970 -1.590 3.301 1.00 0.00 O ATOM 318 CB SER A 60 -23.288 -0.253 5.172 1.00 0.00 C ATOM 319 OG SER A 60 -24.373 -1.147 4.949 1.00 0.00 O ATOM 0 H SER A 60 -24.510 0.846 3.331 1.00 0.00 H new ATOM 0 HA SER A 60 -21.771 0.731 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 60 -22.565 -0.703 5.852 1.00 0.00 H new ATOM 0 HB3 SER A 60 -23.646 0.661 5.646 1.00 0.00 H new ATOM 0 HG SER A 60 -25.069 -0.694 4.429 1.00 0.00 H new ATOM 325 N GLN A 61 -23.045 -1.888 2.486 1.00 0.00 N ATOM 326 CA GLN A 61 -22.715 -3.131 1.805 1.00 0.00 C ATOM 327 C GLN A 61 -21.764 -2.884 0.635 1.00 0.00 C ATOM 328 O GLN A 61 -20.867 -3.686 0.374 1.00 0.00 O ATOM 329 CB GLN A 61 -23.991 -3.801 1.292 1.00 0.00 C ATOM 330 CG GLN A 61 -24.805 -4.325 2.478 1.00 0.00 C ATOM 331 CD GLN A 61 -26.169 -4.809 2.001 1.00 0.00 C ATOM 332 OE1 GLN A 61 -26.702 -4.298 1.016 1.00 0.00 O ATOM 333 NE2 GLN A 61 -26.770 -5.773 2.645 1.00 0.00 N ATOM 0 H GLN A 61 -24.015 -1.592 2.380 1.00 0.00 H new ATOM 0 HA GLN A 61 -22.219 -3.785 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -24.583 -3.088 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -23.739 -4.621 0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -24.270 -5.141 2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -24.929 -3.537 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -26.327 -6.195 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -27.683 -6.104 2.332 1.00 0.00 H new ATOM 342 N ALA A 62 -21.974 -1.777 -0.074 1.00 0.00 N ATOM 343 CA ALA A 62 -21.135 -1.447 -1.223 1.00 0.00 C ATOM 344 C ALA A 62 -19.679 -1.231 -0.816 1.00 0.00 C ATOM 345 O ALA A 62 -18.767 -1.729 -1.474 1.00 0.00 O ATOM 346 CB ALA A 62 -21.664 -0.183 -1.903 1.00 0.00 C ATOM 0 H ALA A 62 -22.710 -1.100 0.124 1.00 0.00 H new ATOM 0 HA ALA A 62 -21.173 -2.289 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -21.035 0.060 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -22.687 -0.352 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -21.648 0.645 -1.195 1.00 0.00 H new ATOM 352 N GLU A 63 -19.461 -0.488 0.267 1.00 0.00 N ATOM 353 CA GLU A 63 -18.101 -0.227 0.728 1.00 0.00 C ATOM 354 C GLU A 63 -17.507 -1.467 1.385 1.00 0.00 C ATOM 355 O GLU A 63 -16.302 -1.705 1.306 1.00 0.00 O ATOM 356 CB GLU A 63 -18.082 0.952 1.706 1.00 0.00 C ATOM 357 CG GLU A 63 -18.916 0.618 2.943 1.00 0.00 C ATOM 358 CD GLU A 63 -18.938 1.811 3.891 1.00 0.00 C ATOM 359 OE1 GLU A 63 -18.329 2.816 3.562 1.00 0.00 O ATOM 360 OE2 GLU A 63 -19.564 1.704 4.933 1.00 0.00 O ATOM 0 H GLU A 63 -20.195 -0.063 0.833 1.00 0.00 H new ATOM 0 HA GLU A 63 -17.492 0.029 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.056 1.176 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -18.477 1.844 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -19.933 0.358 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.499 -0.252 3.449 1.00 0.00 H new ATOM 367 N LEU A 64 -18.357 -2.260 2.026 1.00 0.00 N ATOM 368 CA LEU A 64 -17.900 -3.474 2.681 1.00 0.00 C ATOM 369 C LEU A 64 -17.302 -4.421 1.648 1.00 0.00 C ATOM 370 O LEU A 64 -16.240 -5.006 1.861 1.00 0.00 O ATOM 371 CB LEU A 64 -19.081 -4.148 3.390 1.00 0.00 C ATOM 372 CG LEU A 64 -18.624 -5.428 4.099 1.00 0.00 C ATOM 373 CD1 LEU A 64 -17.564 -5.086 5.148 1.00 0.00 C ATOM 374 CD2 LEU A 64 -19.824 -6.078 4.789 1.00 0.00 C ATOM 0 H LEU A 64 -19.359 -2.084 2.105 1.00 0.00 H new ATOM 0 HA LEU A 64 -17.136 -3.225 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -19.518 -3.461 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.860 -4.385 2.666 1.00 0.00 H new ATOM 0 HG LEU A 64 -18.201 -6.116 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -17.241 -5.998 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.708 -4.618 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.986 -4.398 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -19.504 -6.989 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -20.243 -5.386 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -20.582 -6.323 4.045 1.00 0.00 H new ATOM 386 N TYR A 65 -17.997 -4.560 0.525 1.00 0.00 N ATOM 387 CA TYR A 65 -17.542 -5.430 -0.550 1.00 0.00 C ATOM 388 C TYR A 65 -16.181 -4.979 -1.074 1.00 0.00 C ATOM 389 O TYR A 65 -15.271 -5.790 -1.243 1.00 0.00 O ATOM 390 CB TYR A 65 -18.560 -5.417 -1.694 1.00 0.00 C ATOM 391 CG TYR A 65 -18.043 -6.251 -2.841 1.00 0.00 C ATOM 392 CD1 TYR A 65 -18.123 -7.647 -2.783 1.00 0.00 C ATOM 393 CD2 TYR A 65 -17.484 -5.626 -3.963 1.00 0.00 C ATOM 394 CE1 TYR A 65 -17.644 -8.420 -3.849 1.00 0.00 C ATOM 395 CE2 TYR A 65 -17.006 -6.399 -5.028 1.00 0.00 C ATOM 396 CZ TYR A 65 -17.085 -7.796 -4.970 1.00 0.00 C ATOM 397 OH TYR A 65 -16.613 -8.558 -6.021 1.00 0.00 O ATOM 0 H TYR A 65 -18.878 -4.081 0.336 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.446 -6.441 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -19.516 -5.809 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -18.737 -4.394 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -18.554 -8.128 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.422 -4.549 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.706 -9.497 -3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.576 -5.918 -5.894 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.258 -7.969 -6.719 1.00 0.00 H new ATOM 407 N SER A 66 -16.054 -3.683 -1.343 1.00 0.00 N ATOM 408 CA SER A 66 -14.803 -3.142 -1.866 1.00 0.00 C ATOM 409 C SER A 66 -13.653 -3.366 -0.885 1.00 0.00 C ATOM 410 O SER A 66 -12.551 -3.733 -1.291 1.00 0.00 O ATOM 411 CB SER A 66 -14.956 -1.645 -2.133 1.00 0.00 C ATOM 412 OG SER A 66 -15.897 -1.450 -3.181 1.00 0.00 O ATOM 0 H SER A 66 -16.794 -2.994 -1.209 1.00 0.00 H new ATOM 0 HA SER A 66 -14.573 -3.663 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.289 -1.135 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.994 -1.212 -2.407 1.00 0.00 H new ATOM 0 HG SER A 66 -15.426 -1.404 -4.039 1.00 0.00 H new ATOM 418 N LEU A 67 -13.911 -3.150 0.400 1.00 0.00 N ATOM 419 CA LEU A 67 -12.875 -3.343 1.409 1.00 0.00 C ATOM 420 C LEU A 67 -12.473 -4.812 1.489 1.00 0.00 C ATOM 421 O LEU A 67 -11.289 -5.144 1.453 1.00 0.00 O ATOM 422 CB LEU A 67 -13.377 -2.868 2.775 1.00 0.00 C ATOM 423 CG LEU A 67 -12.873 -1.445 3.045 1.00 0.00 C ATOM 424 CD1 LEU A 67 -13.243 -0.532 1.875 1.00 0.00 C ATOM 425 CD2 LEU A 67 -13.518 -0.915 4.327 1.00 0.00 C ATOM 0 H LEU A 67 -14.814 -2.846 0.764 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.002 -2.756 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.467 -2.889 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.027 -3.542 3.556 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.789 -1.462 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.882 0.477 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.784 -0.908 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.326 -0.513 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -13.162 0.097 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.602 -0.902 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.251 -1.561 5.163 1.00 0.00 H new ATOM 437 N GLU A 68 -13.467 -5.689 1.588 1.00 0.00 N ATOM 438 CA GLU A 68 -13.203 -7.122 1.659 1.00 0.00 C ATOM 439 C GLU A 68 -12.562 -7.603 0.361 1.00 0.00 C ATOM 440 O GLU A 68 -11.619 -8.397 0.375 1.00 0.00 O ATOM 441 CB GLU A 68 -14.511 -7.881 1.905 1.00 0.00 C ATOM 442 CG GLU A 68 -14.224 -9.379 2.039 1.00 0.00 C ATOM 443 CD GLU A 68 -15.515 -10.129 2.352 1.00 0.00 C ATOM 444 OE1 GLU A 68 -16.546 -9.482 2.445 1.00 0.00 O ATOM 445 OE2 GLU A 68 -15.457 -11.339 2.492 1.00 0.00 O ATOM 0 H GLU A 68 -14.455 -5.436 1.621 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.517 -7.314 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.992 -7.511 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.204 -7.706 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.788 -9.759 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.494 -9.549 2.830 1.00 0.00 H new ATOM 452 N LYS A 69 -13.085 -7.114 -0.757 1.00 0.00 N ATOM 453 CA LYS A 69 -12.572 -7.488 -2.070 1.00 0.00 C ATOM 454 C LYS A 69 -11.273 -6.743 -2.371 1.00 0.00 C ATOM 455 O LYS A 69 -10.524 -7.123 -3.272 1.00 0.00 O ATOM 456 CB LYS A 69 -13.617 -7.174 -3.146 1.00 0.00 C ATOM 457 CG LYS A 69 -13.327 -7.968 -4.430 1.00 0.00 C ATOM 458 CD LYS A 69 -13.897 -9.391 -4.320 1.00 0.00 C ATOM 459 CE LYS A 69 -13.731 -10.109 -5.660 1.00 0.00 C ATOM 460 NZ LYS A 69 -14.300 -11.483 -5.560 1.00 0.00 N ATOM 0 H LYS A 69 -13.865 -6.457 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.365 -8.558 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.612 -7.420 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.613 -6.106 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.767 -7.459 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.252 -8.012 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.381 -9.942 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.951 -9.352 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.236 -9.551 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.676 -10.159 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.188 -11.972 -6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.799 -12.013 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.310 -11.424 -5.321 1.00 0.00 H new ATOM 474 N ASN A 70 -11.004 -5.690 -1.606 1.00 0.00 N ATOM 475 CA ASN A 70 -9.783 -4.911 -1.794 1.00 0.00 C ATOM 476 C ASN A 70 -9.643 -4.447 -3.243 1.00 0.00 C ATOM 477 O ASN A 70 -8.622 -4.691 -3.885 1.00 0.00 O ATOM 478 CB ASN A 70 -8.563 -5.748 -1.406 1.00 0.00 C ATOM 479 CG ASN A 70 -7.334 -4.853 -1.307 1.00 0.00 C ATOM 480 OD1 ASN A 70 -7.398 -3.673 -1.653 1.00 0.00 O ATOM 481 ND2 ASN A 70 -6.215 -5.343 -0.849 1.00 0.00 N ATOM 0 H ASN A 70 -11.609 -5.357 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.843 -4.031 -1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.740 -6.245 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.396 -6.530 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.390 -4.748 -0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.166 -6.321 -0.563 1.00 0.00 H new ATOM 488 N GLU A 71 -10.676 -3.783 -3.755 1.00 0.00 N ATOM 489 CA GLU A 71 -10.655 -3.298 -5.132 1.00 0.00 C ATOM 490 C GLU A 71 -9.513 -2.309 -5.349 1.00 0.00 C ATOM 491 O GLU A 71 -8.865 -2.320 -6.397 1.00 0.00 O ATOM 492 CB GLU A 71 -11.981 -2.610 -5.467 1.00 0.00 C ATOM 493 CG GLU A 71 -13.094 -3.655 -5.554 1.00 0.00 C ATOM 494 CD GLU A 71 -14.444 -2.965 -5.725 1.00 0.00 C ATOM 495 OE1 GLU A 71 -14.494 -1.758 -5.552 1.00 0.00 O ATOM 496 OE2 GLU A 71 -15.404 -3.653 -6.026 1.00 0.00 O ATOM 0 H GLU A 71 -11.531 -3.570 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.506 -4.157 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.222 -1.871 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.896 -2.075 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.910 -4.326 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.101 -4.267 -4.652 1.00 0.00 H new ATOM 503 N ASP A 72 -9.270 -1.453 -4.359 1.00 0.00 N ATOM 504 CA ASP A 72 -8.201 -0.460 -4.458 1.00 0.00 C ATOM 505 C ASP A 72 -7.306 -0.505 -3.223 1.00 0.00 C ATOM 506 O ASP A 72 -7.701 -0.064 -2.144 1.00 0.00 O ATOM 507 CB ASP A 72 -8.801 0.939 -4.601 1.00 0.00 C ATOM 508 CG ASP A 72 -7.688 1.974 -4.729 1.00 0.00 C ATOM 509 OD1 ASP A 72 -7.006 1.957 -5.739 1.00 0.00 O ATOM 510 OD2 ASP A 72 -7.535 2.766 -3.814 1.00 0.00 O ATOM 0 H ASP A 72 -9.794 -1.426 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.599 -0.692 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.448 0.978 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.423 1.167 -3.735 1.00 0.00 H new ATOM 515 N ALA A 73 -6.100 -1.041 -3.386 1.00 0.00 N ATOM 516 CA ALA A 73 -5.163 -1.136 -2.272 1.00 0.00 C ATOM 517 C ALA A 73 -4.105 -0.038 -2.355 1.00 0.00 C ATOM 518 O ALA A 73 -3.419 0.103 -3.368 1.00 0.00 O ATOM 519 CB ALA A 73 -4.474 -2.501 -2.291 1.00 0.00 C ATOM 0 H ALA A 73 -5.751 -1.413 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.723 -1.015 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.775 -2.567 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.223 -3.288 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.932 -2.622 -3.229 1.00 0.00 H new ATOM 525 N SER A 74 -3.979 0.732 -1.280 1.00 0.00 N ATOM 526 CA SER A 74 -3.001 1.814 -1.235 1.00 0.00 C ATOM 527 C SER A 74 -1.586 1.254 -1.117 1.00 0.00 C ATOM 528 O SER A 74 -1.399 0.085 -0.785 1.00 0.00 O ATOM 529 CB SER A 74 -3.289 2.730 -0.045 1.00 0.00 C ATOM 530 OG SER A 74 -2.999 2.038 1.161 1.00 0.00 O ATOM 0 H SER A 74 -4.538 0.629 -0.433 1.00 0.00 H new ATOM 0 HA SER A 74 -3.078 2.385 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.685 3.635 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.333 3.043 -0.056 1.00 0.00 H new ATOM 0 HG SER A 74 -3.181 2.623 1.926 1.00 0.00 H new ATOM 536 N LEU A 75 -0.595 2.098 -1.383 1.00 0.00 N ATOM 537 CA LEU A 75 0.798 1.669 -1.293 1.00 0.00 C ATOM 538 C LEU A 75 1.099 1.225 0.134 1.00 0.00 C ATOM 539 O LEU A 75 1.713 0.182 0.359 1.00 0.00 O ATOM 540 CB LEU A 75 1.724 2.829 -1.688 1.00 0.00 C ATOM 541 CG LEU A 75 3.107 2.298 -2.101 1.00 0.00 C ATOM 542 CD1 LEU A 75 3.931 3.442 -2.694 1.00 0.00 C ATOM 543 CD2 LEU A 75 3.850 1.719 -0.889 1.00 0.00 C ATOM 0 H LEU A 75 -0.726 3.071 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 75 0.967 0.834 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.283 3.390 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.828 3.520 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 75 2.971 1.509 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.912 3.069 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.419 3.844 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.050 4.229 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.826 1.349 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.982 2.497 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.271 0.899 -0.465 1.00 0.00 H new ATOM 555 N ARG A 76 0.683 2.042 1.096 1.00 0.00 N ATOM 556 CA ARG A 76 0.934 1.750 2.493 1.00 0.00 C ATOM 557 C ARG A 76 0.417 0.362 2.868 1.00 0.00 C ATOM 558 O ARG A 76 1.144 -0.422 3.475 1.00 0.00 O ATOM 559 CB ARG A 76 0.240 2.809 3.339 1.00 0.00 C ATOM 560 CG ARG A 76 0.550 2.583 4.811 1.00 0.00 C ATOM 561 CD ARG A 76 -0.085 3.704 5.623 1.00 0.00 C ATOM 562 NE ARG A 76 -1.544 3.613 5.565 1.00 0.00 N ATOM 563 CZ ARG A 76 -2.277 4.432 4.807 1.00 0.00 C ATOM 564 NH1 ARG A 76 -3.578 4.338 4.833 1.00 0.00 N ATOM 565 NH2 ARG A 76 -1.710 5.314 4.027 1.00 0.00 N ATOM 0 H ARG A 76 0.172 2.909 0.929 1.00 0.00 H new ATOM 0 HA ARG A 76 2.009 1.763 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.572 3.802 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.837 2.769 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.163 1.617 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.628 2.565 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.248 3.645 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.241 4.670 5.238 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.017 2.901 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.027 3.643 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.146 4.960 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.693 5.384 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.284 5.932 3.454 1.00 0.00 H new ATOM 579 N LYS A 77 -0.823 0.045 2.503 1.00 0.00 N ATOM 580 CA LYS A 77 -1.359 -1.274 2.823 1.00 0.00 C ATOM 581 C LYS A 77 -0.534 -2.347 2.114 1.00 0.00 C ATOM 582 O LYS A 77 -0.136 -3.343 2.718 1.00 0.00 O ATOM 583 CB LYS A 77 -2.821 -1.369 2.380 1.00 0.00 C ATOM 584 CG LYS A 77 -3.685 -0.492 3.294 1.00 0.00 C ATOM 585 CD LYS A 77 -5.108 -0.371 2.732 1.00 0.00 C ATOM 586 CE LYS A 77 -5.850 -1.705 2.864 1.00 0.00 C ATOM 587 NZ LYS A 77 -7.285 -1.511 2.512 1.00 0.00 N ATOM 0 H LYS A 77 -1.459 0.663 2.000 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.306 -1.429 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.921 -1.044 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.160 -2.404 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.718 -0.922 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.238 0.498 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.651 0.409 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.068 -0.072 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.401 -2.450 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.762 -2.083 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.790 -2.416 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.709 -0.813 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.359 -1.168 1.533 1.00 0.00 H new ATOM 601 N LEU A 78 -0.311 -2.130 0.820 1.00 0.00 N ATOM 602 CA LEU A 78 0.447 -3.082 0.009 1.00 0.00 C ATOM 603 C LEU A 78 1.610 -3.649 0.818 1.00 0.00 C ATOM 604 O LEU A 78 1.601 -4.824 1.184 1.00 0.00 O ATOM 605 CB LEU A 78 0.978 -2.397 -1.253 1.00 0.00 C ATOM 606 CG LEU A 78 0.268 -2.959 -2.491 1.00 0.00 C ATOM 607 CD1 LEU A 78 -1.228 -2.652 -2.417 1.00 0.00 C ATOM 608 CD2 LEU A 78 0.858 -2.316 -3.747 1.00 0.00 C ATOM 0 H LEU A 78 -0.641 -1.309 0.312 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.215 -3.897 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.817 -1.321 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.053 -2.554 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 78 0.410 -4.039 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.726 -3.054 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.650 -3.110 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.376 -1.573 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.356 -2.713 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.716 -1.236 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.923 -2.540 -3.804 1.00 0.00 H new ATOM 620 N GLN A 79 2.615 -2.822 1.086 1.00 0.00 N ATOM 621 CA GLN A 79 3.778 -3.280 1.842 1.00 0.00 C ATOM 622 C GLN A 79 3.357 -3.838 3.197 1.00 0.00 C ATOM 623 O GLN A 79 3.902 -4.842 3.654 1.00 0.00 O ATOM 624 CB GLN A 79 4.756 -2.119 2.048 1.00 0.00 C ATOM 625 CG GLN A 79 6.056 -2.635 2.675 1.00 0.00 C ATOM 626 CD GLN A 79 5.869 -2.824 4.178 1.00 0.00 C ATOM 627 OE1 GLN A 79 6.553 -3.747 4.798 1.00 0.00 O flip ATOM 628 NE2 GLN A 79 5.082 -2.114 4.803 1.00 0.00 N flip ATOM 0 H GLN A 79 2.650 -1.845 0.796 1.00 0.00 H new ATOM 0 HA GLN A 79 4.265 -4.072 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.969 -1.638 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.306 -1.364 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.342 -3.580 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.866 -1.930 2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.549 -1.393 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.963 -2.246 5.807 1.00 0.00 H new ATOM 637 N ALA A 80 2.379 -3.202 3.828 1.00 0.00 N ATOM 638 CA ALA A 80 1.898 -3.678 5.118 1.00 0.00 C ATOM 639 C ALA A 80 1.353 -5.093 4.970 1.00 0.00 C ATOM 640 O ALA A 80 1.342 -5.874 5.922 1.00 0.00 O ATOM 641 CB ALA A 80 0.797 -2.756 5.646 1.00 0.00 C ATOM 0 H ALA A 80 1.909 -2.368 3.475 1.00 0.00 H new ATOM 0 HA ALA A 80 2.727 -3.679 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.446 -3.123 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.193 -1.747 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.034 -2.740 4.940 1.00 0.00 H new ATOM 647 N ASP A 81 0.905 -5.415 3.758 1.00 0.00 N ATOM 648 CA ASP A 81 0.362 -6.738 3.472 1.00 0.00 C ATOM 649 C ASP A 81 1.447 -7.649 2.899 1.00 0.00 C ATOM 650 O ASP A 81 1.188 -8.800 2.549 1.00 0.00 O ATOM 651 CB ASP A 81 -0.789 -6.614 2.473 1.00 0.00 C ATOM 652 CG ASP A 81 -1.564 -7.927 2.393 1.00 0.00 C ATOM 653 OD1 ASP A 81 -1.124 -8.892 2.997 1.00 0.00 O ATOM 654 OD2 ASP A 81 -2.586 -7.947 1.728 1.00 0.00 O ATOM 0 H ASP A 81 0.908 -4.778 2.961 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.006 -7.175 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.457 -5.807 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.399 -6.353 1.489 1.00 0.00 H new ATOM 659 N GLY A 82 2.666 -7.125 2.819 1.00 0.00 N ATOM 660 CA GLY A 82 3.793 -7.898 2.304 1.00 0.00 C ATOM 661 C GLY A 82 3.767 -7.998 0.778 1.00 0.00 C ATOM 662 O GLY A 82 4.478 -8.816 0.194 1.00 0.00 O ATOM 0 H GLY A 82 2.899 -6.173 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.727 -7.434 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.773 -8.900 2.734 1.00 0.00 H new ATOM 666 N ARG A 83 2.950 -7.171 0.136 1.00 0.00 N ATOM 667 CA ARG A 83 2.854 -7.191 -1.324 1.00 0.00 C ATOM 668 C ARG A 83 4.192 -6.833 -1.973 1.00 0.00 C ATOM 669 O ARG A 83 4.572 -7.433 -2.978 1.00 0.00 O ATOM 670 CB ARG A 83 1.773 -6.209 -1.789 1.00 0.00 C ATOM 671 CG ARG A 83 0.374 -6.751 -1.455 1.00 0.00 C ATOM 672 CD ARG A 83 -0.082 -7.762 -2.517 1.00 0.00 C ATOM 673 NE ARG A 83 -1.429 -8.232 -2.216 1.00 0.00 N ATOM 674 CZ ARG A 83 -1.633 -9.269 -1.408 1.00 0.00 C ATOM 675 NH1 ARG A 83 -2.846 -9.676 -1.164 1.00 0.00 N ATOM 676 NH2 ARG A 83 -0.618 -9.878 -0.858 1.00 0.00 N ATOM 0 H ARG A 83 2.350 -6.485 0.594 1.00 0.00 H new ATOM 0 HA ARG A 83 2.587 -8.202 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.920 -5.242 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.859 -6.046 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.387 -7.227 -0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.338 -5.927 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.062 -7.299 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.608 -8.606 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.230 -7.757 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.640 -9.200 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.002 -10.471 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.332 -9.559 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.775 -10.673 -0.239 1.00 0.00 H new ATOM 690 N ILE A 84 4.900 -5.863 -1.396 1.00 0.00 N ATOM 691 CA ILE A 84 6.194 -5.447 -1.935 1.00 0.00 C ATOM 692 C ILE A 84 7.295 -5.672 -0.906 1.00 0.00 C ATOM 693 O ILE A 84 7.025 -5.799 0.288 1.00 0.00 O ATOM 694 CB ILE A 84 6.153 -3.972 -2.354 1.00 0.00 C ATOM 695 CG1 ILE A 84 5.795 -3.087 -1.150 1.00 0.00 C ATOM 696 CG2 ILE A 84 5.098 -3.787 -3.442 1.00 0.00 C ATOM 697 CD1 ILE A 84 5.911 -1.606 -1.533 1.00 0.00 C ATOM 0 H ILE A 84 4.603 -5.355 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 84 6.410 -6.052 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 84 7.134 -3.683 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.781 -3.306 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.460 -3.308 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.065 -2.740 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.352 -4.404 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.123 -4.084 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.655 -0.987 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.933 -1.390 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.227 -1.388 -2.353 1.00 0.00 H new ATOM 709 N THR A 85 8.537 -5.743 -1.378 1.00 0.00 N ATOM 710 CA THR A 85 9.658 -5.979 -0.479 1.00 0.00 C ATOM 711 C THR A 85 9.987 -4.734 0.332 1.00 0.00 C ATOM 712 O THR A 85 9.728 -3.610 -0.095 1.00 0.00 O ATOM 713 CB THR A 85 10.898 -6.387 -1.279 1.00 0.00 C ATOM 714 OG1 THR A 85 11.284 -5.315 -2.128 1.00 0.00 O ATOM 715 CG2 THR A 85 10.588 -7.618 -2.127 1.00 0.00 C ATOM 0 H THR A 85 8.788 -5.642 -2.361 1.00 0.00 H new ATOM 0 HA THR A 85 9.370 -6.780 0.202 1.00 0.00 H new ATOM 0 HB THR A 85 11.709 -6.622 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.552 -5.106 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.475 -7.902 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.292 -8.442 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.775 -7.390 -2.816 1.00 0.00 H new ATOM 723 N GLU A 86 10.593 -4.951 1.494 1.00 0.00 N ATOM 724 CA GLU A 86 11.000 -3.850 2.354 1.00 0.00 C ATOM 725 C GLU A 86 12.444 -3.468 2.048 1.00 0.00 C ATOM 726 O GLU A 86 12.842 -2.312 2.187 1.00 0.00 O ATOM 727 CB GLU A 86 10.876 -4.260 3.823 1.00 0.00 C ATOM 728 CG GLU A 86 9.400 -4.454 4.179 1.00 0.00 C ATOM 729 CD GLU A 86 9.271 -4.951 5.613 1.00 0.00 C ATOM 730 OE1 GLU A 86 10.290 -5.266 6.204 1.00 0.00 O ATOM 731 OE2 GLU A 86 8.154 -5.012 6.101 1.00 0.00 O ATOM 0 H GLU A 86 10.812 -5.878 1.860 1.00 0.00 H new ATOM 0 HA GLU A 86 10.351 -2.994 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.428 -5.183 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.317 -3.496 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.862 -3.513 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.943 -5.169 3.495 1.00 0.00 H new ATOM 738 N GLU A 87 13.222 -4.469 1.648 1.00 0.00 N ATOM 739 CA GLU A 87 14.633 -4.272 1.338 1.00 0.00 C ATOM 740 C GLU A 87 14.828 -3.316 0.166 1.00 0.00 C ATOM 741 O GLU A 87 15.753 -2.504 0.178 1.00 0.00 O ATOM 742 CB GLU A 87 15.280 -5.617 1.005 1.00 0.00 C ATOM 743 CG GLU A 87 15.379 -6.466 2.273 1.00 0.00 C ATOM 744 CD GLU A 87 15.841 -7.877 1.922 1.00 0.00 C ATOM 745 OE1 GLU A 87 15.826 -8.206 0.747 1.00 0.00 O ATOM 746 OE2 GLU A 87 16.203 -8.604 2.830 1.00 0.00 O ATOM 0 H GLU A 87 12.897 -5.429 1.531 1.00 0.00 H new ATOM 0 HA GLU A 87 15.106 -3.832 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.691 -6.139 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.272 -5.460 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.079 -6.009 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.410 -6.505 2.771 1.00 0.00 H new ATOM 753 N GLN A 88 13.980 -3.419 -0.851 1.00 0.00 N ATOM 754 CA GLN A 88 14.121 -2.554 -2.013 1.00 0.00 C ATOM 755 C GLN A 88 14.059 -1.084 -1.603 1.00 0.00 C ATOM 756 O GLN A 88 14.830 -0.262 -2.097 1.00 0.00 O ATOM 757 CB GLN A 88 13.022 -2.868 -3.031 1.00 0.00 C ATOM 758 CG GLN A 88 11.650 -2.515 -2.454 1.00 0.00 C ATOM 759 CD GLN A 88 10.552 -2.990 -3.401 1.00 0.00 C ATOM 760 OE1 GLN A 88 9.608 -3.771 -2.953 1.00 0.00 O flip ATOM 761 NE2 GLN A 88 10.553 -2.634 -4.580 1.00 0.00 N flip ATOM 0 H GLN A 88 13.203 -4.079 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 88 15.093 -2.739 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.194 -2.305 -3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.052 -3.925 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.526 -2.981 -1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.574 -1.438 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.292 -2.023 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.815 -2.950 -5.209 1.00 0.00 H new ATOM 770 N ALA A 89 13.152 -0.758 -0.687 1.00 0.00 N ATOM 771 CA ALA A 89 13.022 0.618 -0.215 1.00 0.00 C ATOM 772 C ALA A 89 14.281 1.050 0.535 1.00 0.00 C ATOM 773 O ALA A 89 14.755 2.177 0.384 1.00 0.00 O ATOM 774 CB ALA A 89 11.809 0.740 0.708 1.00 0.00 C ATOM 0 H ALA A 89 12.503 -1.419 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 89 12.888 1.268 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.719 1.769 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.907 0.461 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.935 0.077 1.564 1.00 0.00 H new ATOM 780 N LYS A 90 14.805 0.140 1.350 1.00 0.00 N ATOM 781 CA LYS A 90 16.004 0.427 2.134 1.00 0.00 C ATOM 782 C LYS A 90 17.221 0.584 1.226 1.00 0.00 C ATOM 783 O LYS A 90 17.950 1.572 1.317 1.00 0.00 O ATOM 784 CB LYS A 90 16.253 -0.700 3.143 1.00 0.00 C ATOM 785 CG LYS A 90 15.646 -0.333 4.503 1.00 0.00 C ATOM 786 CD LYS A 90 14.126 -0.193 4.373 1.00 0.00 C ATOM 787 CE LYS A 90 13.525 0.136 5.741 1.00 0.00 C ATOM 788 NZ LYS A 90 12.046 0.277 5.614 1.00 0.00 N ATOM 0 H LYS A 90 14.423 -0.796 1.485 1.00 0.00 H new ATOM 0 HA LYS A 90 15.847 1.364 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.814 -1.629 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.324 -0.874 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.888 -1.100 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.077 0.601 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.882 0.593 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.697 -1.118 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.766 -0.652 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.957 1.059 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.637 0.501 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.826 1.043 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.641 -0.614 5.263 1.00 0.00 H new ATOM 802 N ALA A 91 17.450 -0.403 0.364 1.00 0.00 N ATOM 803 CA ALA A 91 18.596 -0.369 -0.538 1.00 0.00 C ATOM 804 C ALA A 91 18.544 0.851 -1.452 1.00 0.00 C ATOM 805 O ALA A 91 19.569 1.477 -1.719 1.00 0.00 O ATOM 806 CB ALA A 91 18.625 -1.641 -1.388 1.00 0.00 C ATOM 0 H ALA A 91 16.861 -1.231 0.272 1.00 0.00 H new ATOM 0 HA ALA A 91 19.500 -0.307 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.483 -1.610 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.705 -2.512 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.708 -1.708 -1.973 1.00 0.00 H new ATOM 812 N TYR A 92 17.351 1.189 -1.925 1.00 0.00 N ATOM 813 CA TYR A 92 17.185 2.340 -2.804 1.00 0.00 C ATOM 814 C TYR A 92 17.635 3.622 -2.106 1.00 0.00 C ATOM 815 O TYR A 92 18.287 4.474 -2.710 1.00 0.00 O ATOM 816 CB TYR A 92 15.721 2.472 -3.225 1.00 0.00 C ATOM 817 CG TYR A 92 15.571 3.653 -4.153 1.00 0.00 C ATOM 818 CD1 TYR A 92 15.950 3.538 -5.496 1.00 0.00 C ATOM 819 CD2 TYR A 92 15.054 4.862 -3.672 1.00 0.00 C ATOM 820 CE1 TYR A 92 15.815 4.631 -6.357 1.00 0.00 C ATOM 821 CE2 TYR A 92 14.917 5.955 -4.535 1.00 0.00 C ATOM 822 CZ TYR A 92 15.297 5.840 -5.878 1.00 0.00 C ATOM 823 OH TYR A 92 15.164 6.920 -6.729 1.00 0.00 O ATOM 0 H TYR A 92 16.489 0.686 -1.716 1.00 0.00 H new ATOM 0 HA TYR A 92 17.804 2.187 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 92 15.391 1.560 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.089 2.603 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 92 16.347 2.604 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.761 4.951 -2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.110 4.543 -7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.518 6.888 -4.165 1.00 0.00 H new ATOM 0 HH TYR A 92 14.788 7.680 -6.237 1.00 0.00 H new ATOM 833 N LYS A 93 17.268 3.755 -0.836 1.00 0.00 N ATOM 834 CA LYS A 93 17.621 4.942 -0.066 1.00 0.00 C ATOM 835 C LYS A 93 19.135 5.138 -0.034 1.00 0.00 C ATOM 836 O LYS A 93 19.622 6.263 -0.150 1.00 0.00 O ATOM 837 CB LYS A 93 17.083 4.810 1.364 1.00 0.00 C ATOM 838 CG LYS A 93 17.407 6.074 2.167 1.00 0.00 C ATOM 839 CD LYS A 93 16.828 5.942 3.577 1.00 0.00 C ATOM 840 CE LYS A 93 17.152 7.200 4.385 1.00 0.00 C ATOM 841 NZ LYS A 93 16.579 7.075 5.754 1.00 0.00 N ATOM 0 H LYS A 93 16.729 3.059 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 93 17.172 5.812 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.005 4.650 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.525 3.939 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.486 6.220 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.990 6.950 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.749 5.798 3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.243 5.063 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.231 7.339 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.743 8.079 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.800 7.931 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.547 6.962 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.989 6.245 6.228 1.00 0.00 H new ATOM 855 N GLU A 94 19.880 4.049 0.140 1.00 0.00 N ATOM 856 CA GLU A 94 21.334 4.135 0.199 1.00 0.00 C ATOM 857 C GLU A 94 21.880 4.945 -0.973 1.00 0.00 C ATOM 858 O GLU A 94 22.901 5.618 -0.847 1.00 0.00 O ATOM 859 CB GLU A 94 21.942 2.730 0.184 1.00 0.00 C ATOM 860 CG GLU A 94 23.461 2.823 0.358 1.00 0.00 C ATOM 861 CD GLU A 94 24.065 1.425 0.411 1.00 0.00 C ATOM 862 OE1 GLU A 94 23.310 0.470 0.314 1.00 0.00 O ATOM 863 OE2 GLU A 94 25.274 1.328 0.549 1.00 0.00 O ATOM 0 H GLU A 94 19.504 3.106 0.242 1.00 0.00 H new ATOM 0 HA GLU A 94 21.608 4.640 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.511 2.128 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 94 21.704 2.230 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 94 23.896 3.385 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 94 23.698 3.366 1.273 1.00 0.00 H new ATOM 870 N TYR A 95 21.203 4.881 -2.114 1.00 0.00 N ATOM 871 CA TYR A 95 21.654 5.627 -3.282 1.00 0.00 C ATOM 872 C TYR A 95 21.741 7.111 -2.943 1.00 0.00 C ATOM 873 O TYR A 95 22.741 7.767 -3.229 1.00 0.00 O ATOM 874 CB TYR A 95 20.683 5.421 -4.448 1.00 0.00 C ATOM 875 CG TYR A 95 21.116 6.269 -5.620 1.00 0.00 C ATOM 876 CD1 TYR A 95 22.178 5.851 -6.432 1.00 0.00 C ATOM 877 CD2 TYR A 95 20.457 7.475 -5.894 1.00 0.00 C ATOM 878 CE1 TYR A 95 22.580 6.640 -7.517 1.00 0.00 C ATOM 879 CE2 TYR A 95 20.860 8.261 -6.979 1.00 0.00 C ATOM 880 CZ TYR A 95 21.922 7.844 -7.790 1.00 0.00 C ATOM 881 OH TYR A 95 22.318 8.620 -8.860 1.00 0.00 O ATOM 0 H TYR A 95 20.356 4.331 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 95 22.639 5.264 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 95 20.660 4.370 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 95 19.671 5.690 -4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 95 22.686 4.922 -6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 95 19.638 7.798 -5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 95 23.399 6.319 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 95 20.351 9.190 -7.191 1.00 0.00 H new ATOM 0 HH TYR A 95 21.756 9.421 -8.909 1.00 0.00 H new ATOM 891 N ASN A 96 20.685 7.635 -2.329 1.00 0.00 N ATOM 892 CA ASN A 96 20.642 9.042 -1.947 1.00 0.00 C ATOM 893 C ASN A 96 21.768 9.370 -0.965 1.00 0.00 C ATOM 894 O ASN A 96 22.345 10.457 -1.008 1.00 0.00 O ATOM 895 CB ASN A 96 19.293 9.362 -1.302 1.00 0.00 C ATOM 896 CG ASN A 96 18.195 9.352 -2.359 1.00 0.00 C ATOM 897 OD1 ASN A 96 18.475 9.482 -3.550 1.00 0.00 O ATOM 898 ND2 ASN A 96 16.950 9.203 -1.992 1.00 0.00 N ATOM 0 H ASN A 96 19.847 7.106 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 96 20.772 9.647 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 96 19.069 8.630 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 96 19.334 10.338 -0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.209 9.194 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.719 9.095 -1.004 1.00 0.00 H new ATOM 905 N ASP A 97 22.066 8.428 -0.076 1.00 0.00 N ATOM 906 CA ASP A 97 23.114 8.632 0.921 1.00 0.00 C ATOM 907 C ASP A 97 24.441 8.966 0.245 1.00 0.00 C ATOM 908 O ASP A 97 25.207 9.792 0.741 1.00 0.00 O ATOM 909 CB ASP A 97 23.279 7.377 1.780 1.00 0.00 C ATOM 910 CG ASP A 97 24.275 7.644 2.904 1.00 0.00 C ATOM 911 OD1 ASP A 97 24.911 8.684 2.870 1.00 0.00 O ATOM 912 OD2 ASP A 97 24.389 6.803 3.782 1.00 0.00 O ATOM 0 H ASP A 97 21.601 7.522 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 97 22.821 9.468 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 97 22.316 7.083 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 97 23.626 6.547 1.164 1.00 0.00 H new ATOM 917 N LYS A 98 24.706 8.329 -0.890 1.00 0.00 N ATOM 918 CA LYS A 98 25.942 8.579 -1.623 1.00 0.00 C ATOM 919 C LYS A 98 26.022 10.048 -2.032 1.00 0.00 C ATOM 920 O LYS A 98 27.092 10.656 -2.002 1.00 0.00 O ATOM 921 CB LYS A 98 26.006 7.695 -2.871 1.00 0.00 C ATOM 922 CG LYS A 98 26.203 6.236 -2.456 1.00 0.00 C ATOM 923 CD LYS A 98 26.263 5.353 -3.704 1.00 0.00 C ATOM 924 CE LYS A 98 26.432 3.890 -3.290 1.00 0.00 C ATOM 925 NZ LYS A 98 27.731 3.725 -2.575 1.00 0.00 N ATOM 0 H LYS A 98 24.088 7.641 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 98 26.784 8.341 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 98 25.088 7.798 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.826 8.015 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.122 6.132 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 98 25.384 5.917 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 98 25.352 5.473 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 98 27.094 5.660 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 98 25.608 3.585 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 98 26.404 3.246 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 27.995 2.719 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 28.469 4.270 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 27.636 4.071 -1.599 1.00 0.00 H new ATOM 939 N ASN A 99 24.880 10.611 -2.411 1.00 0.00 N ATOM 940 CA ASN A 99 24.822 12.010 -2.822 1.00 0.00 C ATOM 941 C ASN A 99 24.484 12.897 -1.626 1.00 0.00 C ATOM 942 O ASN A 99 24.249 14.096 -1.772 1.00 0.00 O ATOM 943 CB ASN A 99 23.766 12.193 -3.913 1.00 0.00 C ATOM 944 CG ASN A 99 24.130 11.357 -5.135 1.00 0.00 C ATOM 945 OD1 ASN A 99 23.358 10.490 -5.548 1.00 0.00 O ATOM 946 ND2 ASN A 99 25.266 11.564 -5.742 1.00 0.00 N ATOM 0 H ASN A 99 23.985 10.123 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 99 25.797 12.299 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 99 22.787 11.896 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 99 23.695 13.245 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 99 25.516 11.008 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 99 25.904 12.282 -5.399 1.00 0.00 H new ATOM 953 N GLY A 100 24.491 12.295 -0.442 1.00 0.00 N ATOM 954 CA GLY A 100 24.211 13.030 0.788 1.00 0.00 C ATOM 955 C GLY A 100 22.765 13.511 0.844 1.00 0.00 C ATOM 956 O GLY A 100 22.458 14.487 1.528 1.00 0.00 O ATOM 0 H GLY A 100 24.687 11.303 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 100 24.415 12.391 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 100 24.882 13.886 0.861 1.00 0.00 H new ATOM 960 N GLY A 101 21.879 12.833 0.125 1.00 0.00 N ATOM 961 CA GLY A 101 20.473 13.226 0.115 1.00 0.00 C ATOM 962 C GLY A 101 19.875 13.134 1.514 1.00 0.00 C ATOM 963 O GLY A 101 19.115 14.008 1.932 1.00 0.00 O ATOM 0 H GLY A 101 22.102 12.021 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 101 20.378 14.245 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 101 19.916 12.583 -0.566 1.00 0.00 H new ATOM 967 N ALA A 102 20.233 12.079 2.240 1.00 0.00 N ATOM 968 CA ALA A 102 19.734 11.892 3.598 1.00 0.00 C ATOM 969 C ALA A 102 20.218 13.024 4.501 1.00 0.00 C ATOM 970 O ALA A 102 19.481 13.510 5.357 1.00 0.00 O ATOM 971 CB ALA A 102 20.217 10.551 4.154 1.00 0.00 C ATOM 0 H ALA A 102 20.862 11.346 1.914 1.00 0.00 H new ATOM 0 HA ALA A 102 18.644 11.900 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 102 19.839 10.420 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 102 19.849 9.742 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 102 21.307 10.534 4.168 1.00 0.00 H new ATOM 977 N ASN A 103 21.469 13.420 4.302 1.00 0.00 N ATOM 978 CA ASN A 103 22.076 14.484 5.097 1.00 0.00 C ATOM 979 C ASN A 103 21.322 15.802 4.930 1.00 0.00 C ATOM 980 O ASN A 103 21.263 16.606 5.859 1.00 0.00 O ATOM 981 CB ASN A 103 23.537 14.671 4.681 1.00 0.00 C ATOM 982 CG ASN A 103 24.273 15.509 5.720 1.00 0.00 C ATOM 983 OD1 ASN A 103 23.954 15.448 6.908 1.00 0.00 O ATOM 984 ND2 ASN A 103 25.250 16.288 5.344 1.00 0.00 N ATOM 0 H ASN A 103 22.086 13.020 3.595 1.00 0.00 H new ATOM 0 HA ASN A 103 22.025 14.193 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 103 24.021 13.700 4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 103 23.587 15.158 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 103 25.751 16.848 6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 103 25.513 16.337 4.360 1.00 0.00 H new ATOM 991 N ARG A 104 20.760 16.020 3.742 1.00 0.00 N ATOM 992 CA ARG A 104 20.017 17.244 3.446 1.00 0.00 C ATOM 993 C ARG A 104 20.964 18.434 3.325 1.00 0.00 C ATOM 994 O ARG A 104 20.608 19.466 2.755 1.00 0.00 O ATOM 995 CB ARG A 104 18.974 17.523 4.533 1.00 0.00 C ATOM 996 CG ARG A 104 18.286 16.215 4.936 1.00 0.00 C ATOM 997 CD ARG A 104 16.865 16.507 5.426 1.00 0.00 C ATOM 998 NE ARG A 104 16.903 17.381 6.593 1.00 0.00 N ATOM 999 CZ ARG A 104 15.784 17.844 7.141 1.00 0.00 C ATOM 1000 NH1 ARG A 104 15.844 18.627 8.183 1.00 0.00 N ATOM 1001 NH2 ARG A 104 14.624 17.517 6.637 1.00 0.00 N ATOM 0 H ARG A 104 20.806 15.361 2.965 1.00 0.00 H new ATOM 0 HA ARG A 104 19.505 17.101 2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 104 19.452 17.976 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 104 18.235 18.236 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 104 18.255 15.533 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.857 15.720 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.288 16.977 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 104 16.361 15.574 5.678 1.00 0.00 H new ATOM 0 HE ARG A 104 17.803 17.641 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.749 18.884 8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.986 18.983 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 104 14.576 16.906 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 104 13.766 17.873 7.059 1.00 0.00 H new ATOM 1015 N LYS A 105 22.172 18.282 3.852 1.00 0.00 N ATOM 1016 CA LYS A 105 23.162 19.350 3.781 1.00 0.00 C ATOM 1017 C LYS A 105 24.148 19.064 2.653 1.00 0.00 C ATOM 1018 O LYS A 105 25.237 18.538 2.884 1.00 0.00 O ATOM 1019 CB LYS A 105 23.927 19.455 5.107 1.00 0.00 C ATOM 1020 CG LYS A 105 22.954 19.541 6.293 1.00 0.00 C ATOM 1021 CD LYS A 105 22.181 20.864 6.262 1.00 0.00 C ATOM 1022 CE LYS A 105 21.389 21.016 7.563 1.00 0.00 C ATOM 1023 NZ LYS A 105 20.638 22.303 7.541 1.00 0.00 N ATOM 0 H LYS A 105 22.489 17.438 4.329 1.00 0.00 H new ATOM 0 HA LYS A 105 22.647 20.291 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.577 18.588 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.569 20.336 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.256 18.705 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 105 23.505 19.458 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.871 21.699 6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.506 20.884 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.698 20.181 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 105 22.065 20.992 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.100 22.406 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.307 23.094 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 19.982 22.308 6.734 1.00 0.00 H new ATOM 1037 N VAL A 106 23.758 19.414 1.431 1.00 0.00 N ATOM 1038 CA VAL A 106 24.613 19.194 0.272 1.00 0.00 C ATOM 1039 C VAL A 106 24.599 20.415 -0.641 1.00 0.00 C ATOM 1040 O VAL A 106 23.663 21.214 -0.610 1.00 0.00 O ATOM 1041 CB VAL A 106 24.133 17.966 -0.505 1.00 0.00 C ATOM 1042 CG1 VAL A 106 24.209 16.731 0.393 1.00 0.00 C ATOM 1043 CG2 VAL A 106 22.684 18.181 -0.951 1.00 0.00 C ATOM 0 H VAL A 106 22.860 19.849 1.219 1.00 0.00 H new ATOM 0 HA VAL A 106 25.632 19.027 0.620 1.00 0.00 H new ATOM 0 HB VAL A 106 24.767 17.819 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 106 23.867 15.857 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 106 25.239 16.577 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 106 23.575 16.877 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 106 22.340 17.307 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 106 22.052 18.328 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 106 22.627 19.062 -1.591 1.00 0.00 H new ATOM 1053 N ASN A 107 25.638 20.550 -1.459 1.00 0.00 N ATOM 1054 CA ASN A 107 25.725 21.677 -2.382 1.00 0.00 C ATOM 1055 C ASN A 107 24.818 21.450 -3.586 1.00 0.00 C ATOM 1056 O ASN A 107 24.657 20.321 -4.050 1.00 0.00 O ATOM 1057 CB ASN A 107 27.170 21.856 -2.852 1.00 0.00 C ATOM 1058 CG ASN A 107 28.031 22.366 -1.701 1.00 0.00 C ATOM 1059 OD1 ASN A 107 27.510 22.925 -0.735 1.00 0.00 O ATOM 1060 ND2 ASN A 107 29.325 22.208 -1.746 1.00 0.00 N ATOM 0 H ASN A 107 26.424 19.901 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 107 25.400 22.578 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 107 27.562 20.907 -3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 107 27.206 22.559 -3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 107 29.907 22.548 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 107 29.755 21.745 -2.547 1.00 0.00 H new ATOM 1067 N ASP A 108 24.226 22.529 -4.090 1.00 0.00 N ATOM 1068 CA ASP A 108 23.336 22.429 -5.242 1.00 0.00 C ATOM 1069 C ASP A 108 24.086 22.754 -6.530 1.00 0.00 C ATOM 1070 O ASP A 108 23.527 23.454 -7.357 1.00 0.00 O ATOM 1071 CB ASP A 108 22.158 23.391 -5.078 1.00 0.00 C ATOM 1072 CG ASP A 108 22.652 24.834 -5.096 1.00 0.00 C ATOM 1073 OD1 ASP A 108 23.845 25.029 -5.253 1.00 0.00 O ATOM 1074 OD2 ASP A 108 21.829 25.724 -4.952 1.00 0.00 O ATOM 0 H ASP A 108 24.345 23.473 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 108 22.964 21.406 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 108 21.437 23.235 -5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 108 21.640 23.188 -4.141 1.00 0.00 H new TER 1079 ASP A 108