USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 402 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 53 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1) USER MOD Single : A 58 GLN : amide:sc=-0.00585 X(o=-0.0059,f=0.22) USER MOD Single : A 59 GLN : amide:sc= -2.33 K(o=-2.3,f=-6.3!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0392) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0767) USER MOD Single : A 74 HIS : no HD1:sc= -4.66 K(o=-4.7,f=-6.7!) USER MOD Single : A 75 THR OG1 : rot 81:sc= 0.00109 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 84 SER OG : rot 92:sc= 0.9 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.0068) USER MOD Single : A 91 CYS SG : rot 80:sc= -0.09 USER MOD Single : A 92 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.3!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0542 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 49 4.513 3.963 2.400 1.00 45.45 N ATOM 2 CA GLU A 49 5.360 2.995 1.716 1.00 4.12 C ATOM 3 C GLU A 49 4.944 2.841 0.256 1.00 25.31 C ATOM 4 O GLU A 49 3.754 2.793 -0.059 1.00 33.43 O ATOM 5 CB GLU A 49 5.296 1.638 2.421 1.00 74.54 C ATOM 6 CG GLU A 49 5.765 1.680 3.865 1.00 62.20 C ATOM 7 CD GLU A 49 6.326 0.353 4.335 1.00 60.33 C ATOM 8 OE1 GLU A 49 7.410 -0.039 3.854 1.00 73.44 O1- ATOM 9 OE2 GLU A 49 5.680 -0.296 5.185 1.00 53.02 O ATOM 0 HA GLU A 49 6.385 3.365 1.747 1.00 4.12 H new ATOM 0 HB2 GLU A 49 4.270 1.271 2.392 1.00 74.54 H new ATOM 0 HB3 GLU A 49 5.907 0.923 1.870 1.00 74.54 H new ATOM 0 HG2 GLU A 49 6.528 2.451 3.973 1.00 62.20 H new ATOM 0 HG3 GLU A 49 4.931 1.965 4.506 1.00 62.20 H new ATOM 16 N GLU A 50 5.930 2.767 -0.631 1.00 33.43 N ATOM 17 CA GLU A 50 5.666 2.620 -2.058 1.00 35.32 C ATOM 18 C GLU A 50 6.214 1.296 -2.580 1.00 61.31 C ATOM 19 O GLU A 50 7.226 0.796 -2.091 1.00 72.51 O ATOM 20 CB GLU A 50 6.285 3.784 -2.836 1.00 31.31 C ATOM 21 CG GLU A 50 5.867 3.830 -4.297 1.00 53.12 C ATOM 22 CD GLU A 50 4.362 3.864 -4.472 1.00 21.52 C ATOM 23 OE1 GLU A 50 3.724 2.799 -4.325 1.00 32.43 O ATOM 24 OE2 GLU A 50 3.821 4.952 -4.757 1.00 73.31 O1- ATOM 0 H GLU A 50 6.920 2.806 -0.387 1.00 33.43 H new ATOM 0 HA GLU A 50 4.586 2.628 -2.204 1.00 35.32 H new ATOM 0 HB2 GLU A 50 6.003 4.721 -2.356 1.00 31.31 H new ATOM 0 HB3 GLU A 50 7.371 3.711 -2.780 1.00 31.31 H new ATOM 0 HG2 GLU A 50 6.304 4.710 -4.768 1.00 53.12 H new ATOM 0 HG3 GLU A 50 6.270 2.959 -4.814 1.00 53.12 H new ATOM 31 N GLU A 51 5.536 0.734 -3.577 1.00 23.12 N ATOM 32 CA GLU A 51 5.954 -0.534 -4.164 1.00 22.02 C ATOM 33 C GLU A 51 6.155 -0.395 -5.671 1.00 64.32 C ATOM 34 O GLU A 51 6.098 0.707 -6.216 1.00 52.54 O ATOM 35 CB GLU A 51 4.919 -1.622 -3.874 1.00 33.41 C ATOM 36 CG GLU A 51 3.643 -1.480 -4.688 1.00 42.33 C ATOM 37 CD GLU A 51 2.655 -2.598 -4.422 1.00 71.44 C ATOM 38 OE1 GLU A 51 2.347 -2.851 -3.239 1.00 24.13 O1- ATOM 39 OE2 GLU A 51 2.188 -3.222 -5.399 1.00 1.32 O ATOM 0 H GLU A 51 4.697 1.136 -3.994 1.00 23.12 H new ATOM 0 HA GLU A 51 6.904 -0.819 -3.713 1.00 22.02 H new ATOM 0 HB2 GLU A 51 5.363 -2.597 -4.076 1.00 33.41 H new ATOM 0 HB3 GLU A 51 4.668 -1.600 -2.814 1.00 33.41 H new ATOM 0 HG2 GLU A 51 3.174 -0.523 -4.458 1.00 42.33 H new ATOM 0 HG3 GLU A 51 3.893 -1.466 -5.749 1.00 42.33 H new ATOM 46 N PHE A 52 6.392 -1.520 -6.336 1.00 61.42 N ATOM 47 CA PHE A 52 6.603 -1.525 -7.779 1.00 64.25 C ATOM 48 C PHE A 52 5.428 -2.180 -8.498 1.00 10.24 C ATOM 49 O PHE A 52 4.592 -2.833 -7.875 1.00 53.32 O ATOM 50 CB PHE A 52 7.900 -2.260 -8.123 1.00 1.22 C ATOM 51 CG PHE A 52 8.627 -1.675 -9.301 1.00 32.03 C ATOM 52 CD1 PHE A 52 9.009 -0.343 -9.304 1.00 35.34 C ATOM 53 CD2 PHE A 52 8.926 -2.457 -10.405 1.00 32.31 C ATOM 54 CE1 PHE A 52 9.677 0.198 -10.386 1.00 55.52 C ATOM 55 CE2 PHE A 52 9.595 -1.922 -11.489 1.00 50.31 C ATOM 56 CZ PHE A 52 9.970 -0.592 -11.481 1.00 21.13 C ATOM 0 H PHE A 52 6.443 -2.440 -5.899 1.00 61.42 H new ATOM 0 HA PHE A 52 6.680 -0.491 -8.114 1.00 64.25 H new ATOM 0 HB2 PHE A 52 8.559 -2.243 -7.255 1.00 1.22 H new ATOM 0 HB3 PHE A 52 7.672 -3.306 -8.330 1.00 1.22 H new ATOM 0 HD1 PHE A 52 8.782 0.279 -8.451 1.00 35.34 H new ATOM 0 HD2 PHE A 52 8.633 -3.496 -10.418 1.00 32.31 H new ATOM 0 HE1 PHE A 52 9.970 1.238 -10.376 1.00 55.52 H new ATOM 0 HE2 PHE A 52 9.825 -2.543 -12.342 1.00 50.31 H new ATOM 0 HZ PHE A 52 10.491 -0.171 -12.328 1.00 21.13 H new ATOM 66 N GLN A 53 5.373 -2.000 -9.814 1.00 43.11 N ATOM 67 CA GLN A 53 4.300 -2.573 -10.619 1.00 43.03 C ATOM 68 C GLN A 53 4.732 -3.895 -11.242 1.00 43.43 C ATOM 69 O GLN A 53 4.857 -4.007 -12.462 1.00 34.32 O ATOM 70 CB GLN A 53 3.877 -1.593 -11.714 1.00 5.23 C ATOM 71 CG GLN A 53 3.978 -0.135 -11.298 1.00 34.41 C ATOM 72 CD GLN A 53 3.085 0.199 -10.119 1.00 13.14 C ATOM 73 OE1 GLN A 53 2.135 -0.524 -9.821 1.00 35.22 O ATOM 74 NE2 GLN A 53 3.388 1.300 -9.440 1.00 62.23 N ATOM 0 H GLN A 53 6.058 -1.462 -10.345 1.00 43.11 H new ATOM 0 HA GLN A 53 3.450 -2.763 -9.963 1.00 43.03 H new ATOM 0 HB2 GLN A 53 4.499 -1.755 -12.595 1.00 5.23 H new ATOM 0 HB3 GLN A 53 2.849 -1.809 -12.006 1.00 5.23 H new ATOM 0 HG2 GLN A 53 5.012 0.095 -11.042 1.00 34.41 H new ATOM 0 HG3 GLN A 53 3.710 0.499 -12.143 1.00 34.41 H new ATOM 0 HE21 GLN A 53 4.185 1.870 -9.722 1.00 62.23 H new ATOM 0 HE22 GLN A 53 2.823 1.575 -8.636 1.00 62.23 H new ATOM 83 N PHE A 54 4.961 -4.896 -10.397 1.00 52.13 N ATOM 84 CA PHE A 54 5.382 -6.211 -10.866 1.00 61.12 C ATOM 85 C PHE A 54 5.080 -7.282 -9.822 1.00 13.15 C ATOM 86 O PHE A 54 4.967 -6.990 -8.631 1.00 11.13 O ATOM 87 CB PHE A 54 6.877 -6.206 -11.190 1.00 13.23 C ATOM 88 CG PHE A 54 7.172 -6.119 -12.660 1.00 31.01 C ATOM 89 CD1 PHE A 54 7.053 -7.236 -13.471 1.00 5.15 C ATOM 90 CD2 PHE A 54 7.566 -4.920 -13.231 1.00 60.11 C ATOM 91 CE1 PHE A 54 7.324 -7.159 -14.824 1.00 75.03 C ATOM 92 CE2 PHE A 54 7.838 -4.837 -14.584 1.00 51.12 C ATOM 93 CZ PHE A 54 7.716 -5.957 -15.382 1.00 40.15 C ATOM 0 H PHE A 54 4.862 -4.821 -9.385 1.00 52.13 H new ATOM 0 HA PHE A 54 4.822 -6.443 -11.772 1.00 61.12 H new ATOM 0 HB2 PHE A 54 7.348 -5.364 -10.683 1.00 13.23 H new ATOM 0 HB3 PHE A 54 7.330 -7.113 -10.790 1.00 13.23 H new ATOM 0 HD1 PHE A 54 6.745 -8.178 -13.041 1.00 5.15 H new ATOM 0 HD2 PHE A 54 7.662 -4.040 -12.612 1.00 60.11 H new ATOM 0 HE1 PHE A 54 7.229 -8.038 -15.445 1.00 75.03 H new ATOM 0 HE2 PHE A 54 8.146 -3.896 -15.016 1.00 51.12 H new ATOM 0 HZ PHE A 54 7.926 -5.894 -16.439 1.00 40.15 H new ATOM 103 N LEU A 55 4.950 -8.523 -10.277 1.00 74.24 N ATOM 104 CA LEU A 55 4.660 -9.640 -9.384 1.00 4.23 C ATOM 105 C LEU A 55 5.904 -10.493 -9.158 1.00 10.01 C ATOM 106 O LEU A 55 7.012 -10.103 -9.527 1.00 42.40 O ATOM 107 CB LEU A 55 3.535 -10.501 -9.960 1.00 1.13 C ATOM 108 CG LEU A 55 2.631 -9.823 -10.990 1.00 43.14 C ATOM 109 CD1 LEU A 55 1.700 -10.839 -11.634 1.00 14.41 C ATOM 110 CD2 LEU A 55 1.831 -8.702 -10.341 1.00 71.20 C ATOM 0 H LEU A 55 5.041 -8.782 -11.259 1.00 74.24 H new ATOM 0 HA LEU A 55 4.342 -9.233 -8.424 1.00 4.23 H new ATOM 0 HB2 LEU A 55 3.979 -11.383 -10.421 1.00 1.13 H new ATOM 0 HB3 LEU A 55 2.914 -10.851 -9.135 1.00 1.13 H new ATOM 0 HG LEU A 55 3.260 -9.391 -11.769 1.00 43.14 H new ATOM 0 HD11 LEU A 55 1.064 -10.338 -12.364 1.00 14.41 H new ATOM 0 HD12 LEU A 55 2.290 -11.608 -12.133 1.00 14.41 H new ATOM 0 HD13 LEU A 55 1.078 -11.300 -10.867 1.00 14.41 H new ATOM 0 HD21 LEU A 55 1.193 -8.230 -11.088 1.00 71.20 H new ATOM 0 HD22 LEU A 55 1.212 -9.112 -9.542 1.00 71.20 H new ATOM 0 HD23 LEU A 55 2.514 -7.960 -9.927 1.00 71.20 H new ATOM 122 N ARG A 56 5.713 -11.659 -8.550 1.00 24.35 N ATOM 123 CA ARG A 56 6.820 -12.569 -8.276 1.00 61.30 C ATOM 124 C ARG A 56 6.381 -14.022 -8.433 1.00 71.11 C ATOM 125 O ARG A 56 5.514 -14.502 -7.703 1.00 4.14 O ATOM 126 CB ARG A 56 7.359 -12.337 -6.863 1.00 14.31 C ATOM 127 CG ARG A 56 8.684 -13.032 -6.595 1.00 32.41 C ATOM 128 CD ARG A 56 8.521 -14.182 -5.614 1.00 53.43 C ATOM 129 NE ARG A 56 7.959 -13.741 -4.341 1.00 64.23 N ATOM 130 CZ ARG A 56 8.670 -13.146 -3.390 1.00 63.05 C ATOM 131 NH1 ARG A 56 9.964 -12.925 -3.567 1.00 24.41 N1+ ATOM 132 NH2 ARG A 56 8.086 -12.773 -2.258 1.00 64.12 N ATOM 0 H ARG A 56 4.803 -11.996 -8.238 1.00 24.35 H new ATOM 0 HA ARG A 56 7.612 -12.367 -8.998 1.00 61.30 H new ATOM 0 HB2 ARG A 56 7.481 -11.266 -6.701 1.00 14.31 H new ATOM 0 HB3 ARG A 56 6.622 -12.687 -6.140 1.00 14.31 H new ATOM 0 HG2 ARG A 56 9.095 -13.407 -7.532 1.00 32.41 H new ATOM 0 HG3 ARG A 56 9.400 -12.312 -6.198 1.00 32.41 H new ATOM 0 HD2 ARG A 56 7.874 -14.942 -6.052 1.00 53.43 H new ATOM 0 HD3 ARG A 56 9.490 -14.650 -5.440 1.00 53.43 H new ATOM 0 HE ARG A 56 6.965 -13.899 -4.173 1.00 64.23 H new ATOM 0 HH11 ARG A 56 10.416 -13.212 -4.435 1.00 24.41 H new ATOM 0 HH12 ARG A 56 10.508 -12.468 -2.835 1.00 24.41 H new ATOM 0 HH21 ARG A 56 7.090 -12.943 -2.118 1.00 64.12 H new ATOM 0 HH22 ARG A 56 8.633 -12.316 -1.528 1.00 64.12 H new ATOM 146 N CYS A 57 6.986 -14.715 -9.391 1.00 62.33 N ATOM 147 CA CYS A 57 6.658 -16.113 -9.645 1.00 34.33 C ATOM 148 C CYS A 57 6.688 -16.923 -8.353 1.00 65.02 C ATOM 149 O CYS A 57 7.717 -17.007 -7.684 1.00 4.11 O ATOM 150 CB CYS A 57 7.637 -16.712 -10.657 1.00 41.30 C ATOM 151 SG CYS A 57 7.057 -18.256 -11.431 1.00 15.55 S ATOM 0 H CYS A 57 7.706 -14.332 -10.004 1.00 62.33 H new ATOM 0 HA CYS A 57 5.649 -16.154 -10.056 1.00 34.33 H new ATOM 0 HB2 CYS A 57 7.830 -15.977 -11.438 1.00 41.30 H new ATOM 0 HB3 CYS A 57 8.587 -16.903 -10.158 1.00 41.30 H new ATOM 156 N GLN A 58 5.549 -17.517 -8.008 1.00 25.22 N ATOM 157 CA GLN A 58 5.444 -18.320 -6.795 1.00 70.11 C ATOM 158 C GLN A 58 6.102 -19.682 -6.985 1.00 21.14 C ATOM 159 O GLN A 58 6.092 -20.518 -6.082 1.00 33.11 O ATOM 160 CB GLN A 58 3.977 -18.499 -6.402 1.00 41.02 C ATOM 161 CG GLN A 58 3.241 -17.187 -6.181 1.00 40.22 C ATOM 162 CD GLN A 58 3.685 -16.476 -4.918 1.00 44.21 C ATOM 163 OE1 GLN A 58 4.300 -15.410 -4.975 1.00 23.53 O ATOM 164 NE2 GLN A 58 3.375 -17.062 -3.768 1.00 1.01 N ATOM 0 H GLN A 58 4.687 -17.457 -8.551 1.00 25.22 H new ATOM 0 HA GLN A 58 5.965 -17.794 -5.995 1.00 70.11 H new ATOM 0 HB2 GLN A 58 3.467 -19.065 -7.182 1.00 41.02 H new ATOM 0 HB3 GLN A 58 3.924 -19.094 -5.490 1.00 41.02 H new ATOM 0 HG2 GLN A 58 3.405 -16.534 -7.038 1.00 40.22 H new ATOM 0 HG3 GLN A 58 2.170 -17.380 -6.127 1.00 40.22 H new ATOM 0 HE21 GLN A 58 2.864 -17.945 -3.767 1.00 1.01 H new ATOM 0 HE22 GLN A 58 3.647 -16.629 -2.885 1.00 1.01 H new ATOM 173 N GLN A 59 6.673 -19.899 -8.166 1.00 43.04 N ATOM 174 CA GLN A 59 7.335 -21.161 -8.474 1.00 24.04 C ATOM 175 C GLN A 59 8.816 -20.942 -8.765 1.00 44.04 C ATOM 176 O GLN A 59 9.628 -21.858 -8.630 1.00 22.05 O ATOM 177 CB GLN A 59 6.661 -21.835 -9.672 1.00 64.40 C ATOM 178 CG GLN A 59 7.405 -21.632 -10.981 1.00 15.35 C ATOM 179 CD GLN A 59 8.260 -22.827 -11.359 1.00 43.04 C ATOM 180 OE1 GLN A 59 7.753 -23.836 -11.849 1.00 74.12 O ATOM 181 NE2 GLN A 59 9.563 -22.718 -11.132 1.00 4.54 N ATOM 0 H GLN A 59 6.690 -19.217 -8.925 1.00 43.04 H new ATOM 0 HA GLN A 59 7.247 -21.811 -7.603 1.00 24.04 H new ATOM 0 HB2 GLN A 59 6.573 -22.904 -9.475 1.00 64.40 H new ATOM 0 HB3 GLN A 59 5.648 -21.446 -9.775 1.00 64.40 H new ATOM 0 HG2 GLN A 59 6.686 -21.439 -11.777 1.00 15.35 H new ATOM 0 HG3 GLN A 59 8.038 -20.748 -10.901 1.00 15.35 H new ATOM 0 HE21 GLN A 59 9.940 -21.862 -10.724 1.00 4.54 H new ATOM 0 HE22 GLN A 59 10.188 -23.490 -11.366 1.00 4.54 H new ATOM 190 N CYS A 60 9.161 -19.724 -9.167 1.00 15.41 N ATOM 191 CA CYS A 60 10.544 -19.383 -9.478 1.00 70.42 C ATOM 192 C CYS A 60 11.144 -18.497 -8.391 1.00 72.01 C ATOM 193 O CYS A 60 12.363 -18.415 -8.246 1.00 5.00 O ATOM 194 CB CYS A 60 10.625 -18.676 -10.832 1.00 0.52 C ATOM 195 SG CYS A 60 10.665 -19.806 -12.260 1.00 52.11 S ATOM 0 H CYS A 60 8.501 -18.955 -9.285 1.00 15.41 H new ATOM 0 HA CYS A 60 11.118 -20.308 -9.525 1.00 70.42 H new ATOM 0 HB2 CYS A 60 9.768 -18.010 -10.934 1.00 0.52 H new ATOM 0 HB3 CYS A 60 11.518 -18.052 -10.851 1.00 0.52 H new ATOM 200 N GLN A 61 10.278 -17.833 -7.631 1.00 43.51 N ATOM 201 CA GLN A 61 10.723 -16.952 -6.558 1.00 23.21 C ATOM 202 C GLN A 61 11.606 -15.835 -7.103 1.00 22.32 C ATOM 203 O GLN A 61 12.576 -15.430 -6.462 1.00 51.33 O ATOM 204 CB GLN A 61 11.483 -17.749 -5.497 1.00 12.53 C ATOM 205 CG GLN A 61 10.794 -19.044 -5.097 1.00 42.55 C ATOM 206 CD GLN A 61 11.542 -19.793 -4.013 1.00 71.22 C ATOM 207 OE1 GLN A 61 11.686 -19.306 -2.892 1.00 34.55 O ATOM 208 NE2 GLN A 61 12.024 -20.986 -4.343 1.00 31.52 N ATOM 0 H GLN A 61 9.265 -17.889 -7.739 1.00 43.51 H new ATOM 0 HA GLN A 61 9.841 -16.503 -6.101 1.00 23.21 H new ATOM 0 HB2 GLN A 61 12.480 -17.979 -5.873 1.00 12.53 H new ATOM 0 HB3 GLN A 61 11.612 -17.127 -4.611 1.00 12.53 H new ATOM 0 HG2 GLN A 61 9.785 -18.822 -4.749 1.00 42.55 H new ATOM 0 HG3 GLN A 61 10.695 -19.684 -5.974 1.00 42.55 H new ATOM 0 HE21 GLN A 61 11.881 -21.351 -5.285 1.00 31.52 H new ATOM 0 HE22 GLN A 61 12.537 -21.537 -3.655 1.00 31.52 H new ATOM 217 N ALA A 62 11.266 -15.342 -8.288 1.00 1.04 N ATOM 218 CA ALA A 62 12.027 -14.270 -8.918 1.00 52.20 C ATOM 219 C ALA A 62 11.106 -13.302 -9.653 1.00 32.12 C ATOM 220 O ALA A 62 9.889 -13.478 -9.667 1.00 64.33 O ATOM 221 CB ALA A 62 13.059 -14.848 -9.874 1.00 0.43 C ATOM 0 H ALA A 62 10.467 -15.668 -8.832 1.00 1.04 H new ATOM 0 HA ALA A 62 12.544 -13.715 -8.135 1.00 52.20 H new ATOM 0 HB1 ALA A 62 13.620 -14.037 -10.338 1.00 0.43 H new ATOM 0 HB2 ALA A 62 13.743 -15.494 -9.324 1.00 0.43 H new ATOM 0 HB3 ALA A 62 12.554 -15.428 -10.647 1.00 0.43 H new ATOM 227 N GLU A 63 11.697 -12.278 -10.262 1.00 25.35 N ATOM 228 CA GLU A 63 10.929 -11.281 -10.998 1.00 45.24 C ATOM 229 C GLU A 63 10.306 -11.890 -12.251 1.00 44.34 C ATOM 230 O GLU A 63 10.998 -12.492 -13.071 1.00 72.20 O ATOM 231 CB GLU A 63 11.821 -10.099 -11.381 1.00 30.13 C ATOM 232 CG GLU A 63 11.886 -9.015 -10.318 1.00 74.31 C ATOM 233 CD GLU A 63 12.720 -7.824 -10.748 1.00 74.53 C ATOM 234 OE1 GLU A 63 12.241 -7.037 -11.591 1.00 63.22 O ATOM 235 OE2 GLU A 63 13.852 -7.679 -10.240 1.00 64.40 O1- ATOM 0 H GLU A 63 12.704 -12.118 -10.260 1.00 25.35 H new ATOM 0 HA GLU A 63 10.127 -10.927 -10.350 1.00 45.24 H new ATOM 0 HB2 GLU A 63 12.829 -10.464 -11.577 1.00 30.13 H new ATOM 0 HB3 GLU A 63 11.453 -9.663 -12.310 1.00 30.13 H new ATOM 0 HG2 GLU A 63 10.875 -8.680 -10.084 1.00 74.31 H new ATOM 0 HG3 GLU A 63 12.303 -9.434 -9.402 1.00 74.31 H new ATOM 242 N ALA A 64 8.994 -11.728 -12.391 1.00 40.42 N ATOM 243 CA ALA A 64 8.278 -12.259 -13.544 1.00 71.12 C ATOM 244 C ALA A 64 7.943 -11.154 -14.539 1.00 63.30 C ATOM 245 O ALA A 64 7.143 -10.263 -14.249 1.00 74.24 O ATOM 246 CB ALA A 64 7.010 -12.970 -13.095 1.00 42.51 C ATOM 0 H ALA A 64 8.406 -11.233 -11.720 1.00 40.42 H new ATOM 0 HA ALA A 64 8.927 -12.977 -14.045 1.00 71.12 H new ATOM 0 HB1 ALA A 64 6.485 -13.362 -13.966 1.00 42.51 H new ATOM 0 HB2 ALA A 64 7.270 -13.792 -12.428 1.00 42.51 H new ATOM 0 HB3 ALA A 64 6.365 -12.266 -12.569 1.00 42.51 H new ATOM 252 N LYS A 65 8.560 -11.215 -15.714 1.00 4.23 N ATOM 253 CA LYS A 65 8.327 -10.220 -16.755 1.00 34.04 C ATOM 254 C LYS A 65 6.878 -10.256 -17.227 1.00 50.34 C ATOM 255 O LYS A 65 6.115 -9.317 -16.995 1.00 52.50 O ATOM 256 CB LYS A 65 9.267 -10.460 -17.939 1.00 33.11 C ATOM 257 CG LYS A 65 10.693 -10.004 -17.684 1.00 65.25 C ATOM 258 CD LYS A 65 11.608 -10.362 -18.845 1.00 72.22 C ATOM 259 CE LYS A 65 11.764 -11.867 -18.987 1.00 1.11 C ATOM 260 NZ LYS A 65 11.003 -12.396 -20.153 1.00 70.23 N1+ ATOM 0 H LYS A 65 9.226 -11.944 -15.970 1.00 4.23 H new ATOM 0 HA LYS A 65 8.529 -9.235 -16.333 1.00 34.04 H new ATOM 0 HB2 LYS A 65 9.272 -11.523 -18.179 1.00 33.11 H new ATOM 0 HB3 LYS A 65 8.878 -9.938 -18.813 1.00 33.11 H new ATOM 0 HG2 LYS A 65 10.709 -8.926 -17.526 1.00 65.25 H new ATOM 0 HG3 LYS A 65 11.066 -10.466 -16.770 1.00 65.25 H new ATOM 0 HD2 LYS A 65 11.204 -9.948 -19.769 1.00 72.22 H new ATOM 0 HD3 LYS A 65 12.586 -9.906 -18.693 1.00 72.22 H new ATOM 0 HE2 LYS A 65 12.820 -12.114 -19.100 1.00 1.11 H new ATOM 0 HE3 LYS A 65 11.418 -12.356 -18.076 1.00 1.11 H new ATOM 0 HZ1 LYS A 65 10.951 -13.433 -20.092 1.00 70.23 H new ATOM 0 HZ2 LYS A 65 10.041 -12.000 -20.149 1.00 70.23 H new ATOM 0 HZ3 LYS A 65 11.485 -12.125 -21.034 1.00 70.23 H new ATOM 274 N CYS A 66 6.503 -11.345 -17.890 1.00 10.10 N ATOM 275 CA CYS A 66 5.144 -11.503 -18.395 1.00 53.53 C ATOM 276 C CYS A 66 4.437 -12.663 -17.701 1.00 71.52 C ATOM 277 O CYS A 66 4.205 -13.721 -18.287 1.00 5.30 O ATOM 278 CB CYS A 66 5.162 -11.732 -19.907 1.00 13.31 C ATOM 279 SG CYS A 66 4.935 -10.228 -20.885 1.00 13.21 S ATOM 0 H CYS A 66 7.121 -12.131 -18.090 1.00 10.10 H new ATOM 0 HA CYS A 66 4.595 -10.586 -18.181 1.00 53.53 H new ATOM 0 HB2 CYS A 66 6.111 -12.192 -20.183 1.00 13.31 H new ATOM 0 HB3 CYS A 66 4.377 -12.442 -20.165 1.00 13.31 H new ATOM 0 HG CYS A 66 4.968 -10.524 -22.150 1.00 13.21 H new ATOM 285 N PRO A 67 4.089 -12.463 -16.421 1.00 71.22 N ATOM 286 CA PRO A 67 3.405 -13.483 -15.620 1.00 33.30 C ATOM 287 C PRO A 67 1.970 -13.714 -16.077 1.00 74.15 C ATOM 288 O PRO A 67 1.307 -12.797 -16.565 1.00 13.51 O ATOM 289 CB PRO A 67 3.429 -12.896 -14.206 1.00 32.03 C ATOM 290 CG PRO A 67 3.522 -11.422 -14.409 1.00 65.43 C ATOM 291 CD PRO A 67 4.335 -11.228 -15.659 1.00 74.22 C ATOM 0 HA PRO A 67 3.888 -14.457 -15.701 1.00 33.30 H new ATOM 0 HB2 PRO A 67 2.530 -13.163 -13.651 1.00 32.03 H new ATOM 0 HB3 PRO A 67 4.279 -13.272 -13.636 1.00 32.03 H new ATOM 0 HG2 PRO A 67 2.532 -10.979 -14.515 1.00 65.43 H new ATOM 0 HG3 PRO A 67 3.997 -10.939 -13.555 1.00 65.43 H new ATOM 0 HD2 PRO A 67 4.017 -10.344 -16.212 1.00 74.22 H new ATOM 0 HD3 PRO A 67 5.394 -11.099 -15.434 1.00 74.22 H new ATOM 299 N LYS A 68 1.492 -14.943 -15.916 1.00 51.51 N ATOM 300 CA LYS A 68 0.133 -15.295 -16.311 1.00 31.55 C ATOM 301 C LYS A 68 -0.601 -15.994 -15.170 1.00 71.35 C ATOM 302 O LYS A 68 0.022 -16.567 -14.277 1.00 73.44 O ATOM 303 CB LYS A 68 0.157 -16.199 -17.545 1.00 23.44 C ATOM 304 CG LYS A 68 0.987 -15.643 -18.690 1.00 42.13 C ATOM 305 CD LYS A 68 0.430 -14.321 -19.192 1.00 1.12 C ATOM 306 CE LYS A 68 1.436 -13.589 -20.068 1.00 51.45 C ATOM 307 NZ LYS A 68 1.924 -14.445 -21.185 1.00 64.42 N1+ ATOM 0 H LYS A 68 2.026 -15.713 -15.514 1.00 51.51 H new ATOM 0 HA LYS A 68 -0.399 -14.375 -16.552 1.00 31.55 H new ATOM 0 HB2 LYS A 68 0.551 -17.175 -17.262 1.00 23.44 H new ATOM 0 HB3 LYS A 68 -0.865 -16.355 -17.890 1.00 23.44 H new ATOM 0 HG2 LYS A 68 2.016 -15.503 -18.360 1.00 42.13 H new ATOM 0 HG3 LYS A 68 1.009 -16.363 -19.508 1.00 42.13 H new ATOM 0 HD2 LYS A 68 -0.484 -14.501 -19.758 1.00 1.12 H new ATOM 0 HD3 LYS A 68 0.160 -13.693 -18.343 1.00 1.12 H new ATOM 0 HE2 LYS A 68 0.976 -12.688 -20.475 1.00 51.45 H new ATOM 0 HE3 LYS A 68 2.282 -13.268 -19.460 1.00 51.45 H new ATOM 0 HZ1 LYS A 68 2.443 -13.859 -21.870 1.00 64.42 H new ATOM 0 HZ2 LYS A 68 2.556 -15.180 -20.809 1.00 64.42 H new ATOM 0 HZ3 LYS A 68 1.114 -14.894 -21.658 1.00 64.42 H new ATOM 321 N LEU A 69 -1.928 -15.941 -15.208 1.00 30.23 N ATOM 322 CA LEU A 69 -2.747 -16.572 -14.178 1.00 41.12 C ATOM 323 C LEU A 69 -3.106 -18.001 -14.568 1.00 43.35 C ATOM 324 O LEU A 69 -4.004 -18.228 -15.381 1.00 31.31 O ATOM 325 CB LEU A 69 -4.022 -15.759 -13.946 1.00 22.32 C ATOM 326 CG LEU A 69 -3.921 -14.633 -12.915 1.00 3.12 C ATOM 327 CD1 LEU A 69 -5.090 -13.671 -13.059 1.00 31.44 C ATOM 328 CD2 LEU A 69 -3.869 -15.204 -11.505 1.00 10.23 C ATOM 0 H LEU A 69 -2.459 -15.469 -15.939 1.00 30.23 H new ATOM 0 HA LEU A 69 -2.168 -16.602 -13.255 1.00 41.12 H new ATOM 0 HB2 LEU A 69 -4.332 -15.327 -14.898 1.00 22.32 H new ATOM 0 HB3 LEU A 69 -4.812 -16.441 -13.633 1.00 22.32 H new ATOM 0 HG LEU A 69 -2.999 -14.082 -13.097 1.00 3.12 H new ATOM 0 HD11 LEU A 69 -5.001 -12.877 -12.318 1.00 31.44 H new ATOM 0 HD12 LEU A 69 -5.083 -13.237 -14.059 1.00 31.44 H new ATOM 0 HD13 LEU A 69 -6.025 -14.209 -12.904 1.00 31.44 H new ATOM 0 HD21 LEU A 69 -3.797 -14.389 -10.785 1.00 10.23 H new ATOM 0 HD22 LEU A 69 -4.774 -15.780 -11.312 1.00 10.23 H new ATOM 0 HD23 LEU A 69 -2.998 -15.852 -11.407 1.00 10.23 H new ATOM 340 N LEU A 70 -2.403 -18.964 -13.980 1.00 51.33 N ATOM 341 CA LEU A 70 -2.649 -20.374 -14.264 1.00 14.55 C ATOM 342 C LEU A 70 -4.136 -20.698 -14.159 1.00 40.42 C ATOM 343 O LEU A 70 -4.927 -19.931 -13.608 1.00 5.25 O ATOM 344 CB LEU A 70 -1.855 -21.254 -13.299 1.00 71.05 C ATOM 345 CG LEU A 70 -0.585 -21.892 -13.864 1.00 2.00 C ATOM 346 CD1 LEU A 70 0.137 -20.921 -14.783 1.00 60.31 C ATOM 347 CD2 LEU A 70 0.332 -22.344 -12.737 1.00 51.35 C ATOM 0 H LEU A 70 -1.658 -18.794 -13.304 1.00 51.33 H new ATOM 0 HA LEU A 70 -2.322 -20.577 -15.284 1.00 14.55 H new ATOM 0 HB2 LEU A 70 -1.581 -20.653 -12.432 1.00 71.05 H new ATOM 0 HB3 LEU A 70 -2.509 -22.049 -12.942 1.00 71.05 H new ATOM 0 HG LEU A 70 -0.870 -22.768 -14.447 1.00 2.00 H new ATOM 0 HD11 LEU A 70 1.038 -21.393 -15.175 1.00 60.31 H new ATOM 0 HD12 LEU A 70 -0.518 -20.647 -15.610 1.00 60.31 H new ATOM 0 HD13 LEU A 70 0.410 -20.026 -14.224 1.00 60.31 H new ATOM 0 HD21 LEU A 70 1.230 -22.795 -13.158 1.00 51.35 H new ATOM 0 HD22 LEU A 70 0.609 -21.484 -12.127 1.00 51.35 H new ATOM 0 HD23 LEU A 70 -0.186 -23.076 -12.118 1.00 51.35 H new ATOM 359 N PRO A 71 -4.528 -21.862 -14.699 1.00 63.23 N ATOM 360 CA PRO A 71 -5.921 -22.317 -14.676 1.00 55.22 C ATOM 361 C PRO A 71 -6.384 -22.698 -13.273 1.00 61.51 C ATOM 362 O PRO A 71 -7.565 -22.964 -13.049 1.00 35.51 O ATOM 363 CB PRO A 71 -5.908 -23.546 -15.587 1.00 23.24 C ATOM 364 CG PRO A 71 -4.505 -24.044 -15.532 1.00 53.10 C ATOM 365 CD PRO A 71 -3.639 -22.826 -15.371 1.00 73.50 C ATOM 0 HA PRO A 71 -6.610 -21.537 -15.000 1.00 55.22 H new ATOM 0 HB2 PRO A 71 -6.611 -24.303 -15.240 1.00 23.24 H new ATOM 0 HB3 PRO A 71 -6.196 -23.287 -16.606 1.00 23.24 H new ATOM 0 HG2 PRO A 71 -4.368 -24.733 -14.699 1.00 53.10 H new ATOM 0 HG3 PRO A 71 -4.248 -24.588 -16.441 1.00 53.10 H new ATOM 0 HD2 PRO A 71 -2.753 -23.039 -14.774 1.00 73.50 H new ATOM 0 HD3 PRO A 71 -3.292 -22.450 -16.333 1.00 73.50 H new ATOM 373 N CYS A 72 -5.446 -22.723 -12.332 1.00 71.12 N ATOM 374 CA CYS A 72 -5.757 -23.072 -10.951 1.00 70.55 C ATOM 375 C CYS A 72 -5.690 -21.841 -10.051 1.00 51.15 C ATOM 376 O CYS A 72 -5.617 -21.957 -8.827 1.00 41.54 O ATOM 377 CB CYS A 72 -4.790 -24.142 -10.443 1.00 4.52 C ATOM 378 SG CYS A 72 -5.065 -25.794 -11.161 1.00 21.22 S ATOM 0 H CYS A 72 -4.464 -22.506 -12.501 1.00 71.12 H new ATOM 0 HA CYS A 72 -6.772 -23.467 -10.922 1.00 70.55 H new ATOM 0 HB2 CYS A 72 -3.770 -23.828 -10.662 1.00 4.52 H new ATOM 0 HB3 CYS A 72 -4.877 -24.210 -9.359 1.00 4.52 H new ATOM 383 N LEU A 73 -5.715 -20.663 -10.666 1.00 61.02 N ATOM 384 CA LEU A 73 -5.657 -19.410 -9.921 1.00 5.33 C ATOM 385 C LEU A 73 -4.267 -19.188 -9.335 1.00 73.21 C ATOM 386 O LEU A 73 -4.099 -18.440 -8.372 1.00 64.43 O ATOM 387 CB LEU A 73 -6.700 -19.410 -8.802 1.00 41.20 C ATOM 388 CG LEU A 73 -8.054 -20.034 -9.147 1.00 34.52 C ATOM 389 CD1 LEU A 73 -9.056 -19.781 -8.032 1.00 33.02 C ATOM 390 CD2 LEU A 73 -8.573 -19.485 -10.467 1.00 34.11 C ATOM 0 H LEU A 73 -5.775 -20.550 -11.678 1.00 61.02 H new ATOM 0 HA LEU A 73 -5.874 -18.596 -10.612 1.00 5.33 H new ATOM 0 HB2 LEU A 73 -6.285 -19.941 -7.946 1.00 41.20 H new ATOM 0 HB3 LEU A 73 -6.867 -18.380 -8.488 1.00 41.20 H new ATOM 0 HG LEU A 73 -7.921 -21.111 -9.252 1.00 34.52 H new ATOM 0 HD11 LEU A 73 -10.013 -20.232 -8.294 1.00 33.02 H new ATOM 0 HD12 LEU A 73 -8.689 -20.222 -7.106 1.00 33.02 H new ATOM 0 HD13 LEU A 73 -9.186 -18.707 -7.896 1.00 33.02 H new ATOM 0 HD21 LEU A 73 -9.537 -19.940 -10.696 1.00 34.11 H new ATOM 0 HD22 LEU A 73 -8.691 -18.404 -10.390 1.00 34.11 H new ATOM 0 HD23 LEU A 73 -7.864 -19.717 -11.262 1.00 34.11 H new ATOM 402 N HIS A 74 -3.271 -19.843 -9.924 1.00 41.20 N ATOM 403 CA HIS A 74 -1.893 -19.714 -9.463 1.00 74.33 C ATOM 404 C HIS A 74 -1.165 -18.612 -10.224 1.00 0.23 C ATOM 405 O HIS A 74 -1.628 -18.154 -11.270 1.00 25.31 O ATOM 406 CB HIS A 74 -1.151 -21.041 -9.630 1.00 25.42 C ATOM 407 CG HIS A 74 -1.855 -22.204 -9.003 1.00 44.20 C ATOM 408 ND1 HIS A 74 -2.864 -22.062 -8.075 1.00 75.22 N ATOM 409 CD2 HIS A 74 -1.692 -23.537 -9.177 1.00 64.53 C ATOM 410 CE1 HIS A 74 -3.290 -23.256 -7.703 1.00 34.21 C ATOM 411 NE2 HIS A 74 -2.594 -24.169 -8.358 1.00 21.42 N ATOM 0 H HIS A 74 -3.392 -20.468 -10.721 1.00 41.20 H new ATOM 0 HA HIS A 74 -1.914 -19.448 -8.406 1.00 74.33 H new ATOM 0 HB2 HIS A 74 -1.014 -21.240 -10.693 1.00 25.42 H new ATOM 0 HB3 HIS A 74 -0.157 -20.950 -9.192 1.00 25.42 H new ATOM 0 HD2 HIS A 74 -0.984 -24.014 -9.838 1.00 64.53 H new ATOM 0 HE1 HIS A 74 -4.073 -23.453 -6.986 1.00 34.21 H new ATOM 0 HE2 HIS A 74 -2.709 -25.179 -8.269 1.00 21.42 H new ATOM 419 N THR A 75 -0.022 -18.187 -9.694 1.00 23.04 N ATOM 420 CA THR A 75 0.768 -17.136 -10.321 1.00 52.33 C ATOM 421 C THR A 75 2.097 -17.680 -10.834 1.00 74.21 C ATOM 422 O THR A 75 2.843 -18.324 -10.095 1.00 70.44 O ATOM 423 CB THR A 75 1.044 -15.979 -9.342 1.00 73.33 C ATOM 424 OG1 THR A 75 -0.139 -15.681 -8.592 1.00 31.31 O ATOM 425 CG2 THR A 75 1.504 -14.736 -10.089 1.00 64.42 C ATOM 0 H THR A 75 0.377 -18.556 -8.831 1.00 23.04 H new ATOM 0 HA THR A 75 0.183 -16.760 -11.160 1.00 52.33 H new ATOM 0 HB THR A 75 1.837 -16.288 -8.662 1.00 73.33 H new ATOM 0 HG1 THR A 75 -0.223 -16.314 -7.849 1.00 31.31 H new ATOM 0 HG21 THR A 75 1.693 -13.933 -9.377 1.00 64.42 H new ATOM 0 HG22 THR A 75 2.420 -14.959 -10.636 1.00 64.42 H new ATOM 0 HG23 THR A 75 0.729 -14.425 -10.790 1.00 64.42 H new ATOM 433 N LEU A 76 2.388 -17.417 -12.103 1.00 34.40 N ATOM 434 CA LEU A 76 3.630 -17.880 -12.715 1.00 40.21 C ATOM 435 C LEU A 76 4.234 -16.799 -13.605 1.00 5.30 C ATOM 436 O LEU A 76 3.613 -15.764 -13.852 1.00 51.52 O ATOM 437 CB LEU A 76 3.376 -19.146 -13.534 1.00 12.24 C ATOM 438 CG LEU A 76 3.924 -20.447 -12.945 1.00 11.34 C ATOM 439 CD1 LEU A 76 3.215 -20.786 -11.644 1.00 21.43 C ATOM 440 CD2 LEU A 76 3.783 -21.587 -13.944 1.00 14.23 C ATOM 0 H LEU A 76 1.782 -16.886 -12.728 1.00 34.40 H new ATOM 0 HA LEU A 76 4.337 -18.106 -11.917 1.00 40.21 H new ATOM 0 HB2 LEU A 76 2.300 -19.257 -13.670 1.00 12.24 H new ATOM 0 HB3 LEU A 76 3.810 -19.007 -14.524 1.00 12.24 H new ATOM 0 HG LEU A 76 4.984 -20.307 -12.731 1.00 11.34 H new ATOM 0 HD11 LEU A 76 3.619 -21.715 -11.241 1.00 21.43 H new ATOM 0 HD12 LEU A 76 3.369 -19.981 -10.925 1.00 21.43 H new ATOM 0 HD13 LEU A 76 2.148 -20.906 -11.832 1.00 21.43 H new ATOM 0 HD21 LEU A 76 4.178 -22.504 -13.507 1.00 14.23 H new ATOM 0 HD22 LEU A 76 2.730 -21.727 -14.191 1.00 14.23 H new ATOM 0 HD23 LEU A 76 4.339 -21.348 -14.850 1.00 14.23 H new ATOM 452 N CYS A 77 5.448 -17.045 -14.084 1.00 43.15 N ATOM 453 CA CYS A 77 6.138 -16.094 -14.949 1.00 32.23 C ATOM 454 C CYS A 77 6.040 -16.519 -16.411 1.00 12.03 C ATOM 455 O CYS A 77 5.778 -17.683 -16.715 1.00 5.32 O ATOM 456 CB CYS A 77 7.607 -15.973 -14.538 1.00 61.44 C ATOM 457 SG CYS A 77 8.560 -17.515 -14.718 1.00 71.55 S ATOM 0 H CYS A 77 5.976 -17.896 -13.888 1.00 43.15 H new ATOM 0 HA CYS A 77 5.656 -15.123 -14.839 1.00 32.23 H new ATOM 0 HB2 CYS A 77 8.078 -15.195 -15.139 1.00 61.44 H new ATOM 0 HB3 CYS A 77 7.657 -15.647 -13.499 1.00 61.44 H new ATOM 462 N SER A 78 6.253 -15.566 -17.313 1.00 13.25 N ATOM 463 CA SER A 78 6.186 -15.839 -18.744 1.00 42.21 C ATOM 464 C SER A 78 7.032 -17.057 -19.105 1.00 53.44 C ATOM 465 O SER A 78 6.545 -18.006 -19.716 1.00 25.10 O ATOM 466 CB SER A 78 6.659 -14.622 -19.540 1.00 42.13 C ATOM 467 OG SER A 78 7.709 -14.967 -20.425 1.00 0.33 O ATOM 0 H SER A 78 6.473 -14.598 -17.078 1.00 13.25 H new ATOM 0 HA SER A 78 5.148 -16.050 -19.000 1.00 42.21 H new ATOM 0 HB2 SER A 78 5.825 -14.207 -20.105 1.00 42.13 H new ATOM 0 HB3 SER A 78 6.998 -13.845 -18.855 1.00 42.13 H new ATOM 0 HG SER A 78 7.992 -14.172 -20.923 1.00 0.33 H new ATOM 473 N GLY A 79 8.304 -17.020 -18.720 1.00 14.42 N ATOM 474 CA GLY A 79 9.200 -18.125 -19.012 1.00 2.33 C ATOM 475 C GLY A 79 8.650 -19.456 -18.540 1.00 40.01 C ATOM 476 O GLY A 79 8.933 -20.499 -19.132 1.00 43.32 O ATOM 0 H GLY A 79 8.730 -16.245 -18.211 1.00 14.42 H new ATOM 0 HA2 GLY A 79 9.379 -18.170 -20.086 1.00 2.33 H new ATOM 0 HA3 GLY A 79 10.163 -17.944 -18.535 1.00 2.33 H new ATOM 480 N CYS A 80 7.860 -19.424 -17.471 1.00 74.13 N ATOM 481 CA CYS A 80 7.270 -20.637 -16.918 1.00 55.40 C ATOM 482 C CYS A 80 6.131 -21.139 -17.801 1.00 11.24 C ATOM 483 O CYS A 80 5.896 -22.343 -17.906 1.00 73.32 O ATOM 484 CB CYS A 80 6.757 -20.379 -15.501 1.00 40.43 C ATOM 485 SG CYS A 80 7.889 -20.934 -14.187 1.00 1.33 S ATOM 0 H CYS A 80 7.614 -18.570 -16.971 1.00 74.13 H new ATOM 0 HA CYS A 80 8.043 -21.404 -16.882 1.00 55.40 H new ATOM 0 HB2 CYS A 80 6.574 -19.311 -15.381 1.00 40.43 H new ATOM 0 HB3 CYS A 80 5.798 -20.882 -15.376 1.00 40.43 H new ATOM 490 N LEU A 81 5.426 -20.207 -18.434 1.00 74.23 N ATOM 491 CA LEU A 81 4.311 -20.553 -19.309 1.00 33.24 C ATOM 492 C LEU A 81 4.803 -21.275 -20.558 1.00 53.02 C ATOM 493 O LEU A 81 4.213 -22.268 -20.985 1.00 11.11 O ATOM 494 CB LEU A 81 3.537 -19.294 -19.704 1.00 14.30 C ATOM 495 CG LEU A 81 2.274 -19.001 -18.894 1.00 2.33 C ATOM 496 CD1 LEU A 81 1.293 -20.158 -18.996 1.00 44.53 C ATOM 497 CD2 LEU A 81 2.626 -18.723 -17.440 1.00 1.22 C ATOM 0 H LEU A 81 5.607 -19.206 -18.358 1.00 74.23 H new ATOM 0 HA LEU A 81 3.647 -21.223 -18.763 1.00 33.24 H new ATOM 0 HB2 LEU A 81 4.206 -18.438 -19.618 1.00 14.30 H new ATOM 0 HB3 LEU A 81 3.259 -19.377 -20.755 1.00 14.30 H new ATOM 0 HG LEU A 81 1.798 -18.112 -19.308 1.00 2.33 H new ATOM 0 HD11 LEU A 81 0.401 -19.931 -18.413 1.00 44.53 H new ATOM 0 HD12 LEU A 81 1.016 -20.309 -20.039 1.00 44.53 H new ATOM 0 HD13 LEU A 81 1.758 -21.065 -18.609 1.00 44.53 H new ATOM 0 HD21 LEU A 81 1.715 -18.516 -16.878 1.00 1.22 H new ATOM 0 HD22 LEU A 81 3.126 -19.593 -17.014 1.00 1.22 H new ATOM 0 HD23 LEU A 81 3.290 -17.860 -17.385 1.00 1.22 H new ATOM 509 N GLU A 82 5.888 -20.772 -21.139 1.00 51.22 N ATOM 510 CA GLU A 82 6.460 -21.371 -22.339 1.00 5.33 C ATOM 511 C GLU A 82 7.266 -22.619 -21.993 1.00 72.53 C ATOM 512 O GLU A 82 7.150 -23.649 -22.657 1.00 64.12 O ATOM 513 CB GLU A 82 7.350 -20.360 -23.065 1.00 33.52 C ATOM 514 CG GLU A 82 7.377 -20.546 -24.573 1.00 42.42 C ATOM 515 CD GLU A 82 8.466 -19.731 -25.242 1.00 31.41 C ATOM 516 OE1 GLU A 82 9.655 -19.985 -24.961 1.00 32.33 O ATOM 517 OE2 GLU A 82 8.129 -18.837 -26.046 1.00 51.24 O1- ATOM 0 H GLU A 82 6.388 -19.951 -20.798 1.00 51.22 H new ATOM 0 HA GLU A 82 5.640 -21.660 -22.996 1.00 5.33 H new ATOM 0 HB2 GLU A 82 7.001 -19.353 -22.838 1.00 33.52 H new ATOM 0 HB3 GLU A 82 8.366 -20.440 -22.679 1.00 33.52 H new ATOM 0 HG2 GLU A 82 7.525 -21.601 -24.803 1.00 42.42 H new ATOM 0 HG3 GLU A 82 6.410 -20.262 -24.988 1.00 42.42 H new ATOM 524 N ALA A 83 8.083 -22.519 -20.949 1.00 22.03 N ATOM 525 CA ALA A 83 8.907 -23.639 -20.514 1.00 12.22 C ATOM 526 C ALA A 83 8.050 -24.760 -19.938 1.00 72.44 C ATOM 527 O ALA A 83 8.148 -25.912 -20.363 1.00 14.22 O ATOM 528 CB ALA A 83 9.931 -23.174 -19.488 1.00 34.22 C ATOM 0 H ALA A 83 8.191 -21.673 -20.389 1.00 22.03 H new ATOM 0 HA ALA A 83 9.433 -24.030 -21.385 1.00 12.22 H new ATOM 0 HB1 ALA A 83 10.540 -24.021 -19.172 1.00 34.22 H new ATOM 0 HB2 ALA A 83 10.572 -22.413 -19.933 1.00 34.22 H new ATOM 0 HB3 ALA A 83 9.416 -22.755 -18.624 1.00 34.22 H new ATOM 534 N SER A 84 7.209 -24.417 -18.966 1.00 72.32 N ATOM 535 CA SER A 84 6.338 -25.396 -18.328 1.00 44.33 C ATOM 536 C SER A 84 5.065 -25.603 -19.144 1.00 12.43 C ATOM 537 O SER A 84 4.091 -26.178 -18.661 1.00 63.40 O ATOM 538 CB SER A 84 5.980 -24.945 -16.911 1.00 14.11 C ATOM 539 OG SER A 84 6.981 -24.093 -16.379 1.00 53.33 O ATOM 0 H SER A 84 7.113 -23.468 -18.604 1.00 72.32 H new ATOM 0 HA SER A 84 6.874 -26.343 -18.276 1.00 44.33 H new ATOM 0 HB2 SER A 84 5.023 -24.424 -16.923 1.00 14.11 H new ATOM 0 HB3 SER A 84 5.860 -25.817 -16.268 1.00 14.11 H new ATOM 0 HG SER A 84 6.756 -23.160 -16.578 1.00 53.33 H new ATOM 545 N GLY A 85 5.082 -25.131 -20.386 1.00 50.03 N ATOM 546 CA GLY A 85 3.925 -25.273 -21.251 1.00 74.04 C ATOM 547 C GLY A 85 2.619 -25.056 -20.512 1.00 52.42 C ATOM 548 O GLY A 85 1.675 -25.828 -20.669 1.00 62.41 O ATOM 0 H GLY A 85 5.877 -24.652 -20.809 1.00 50.03 H new ATOM 0 HA2 GLY A 85 3.998 -24.558 -22.071 1.00 74.04 H new ATOM 0 HA3 GLY A 85 3.927 -26.269 -21.695 1.00 74.04 H new ATOM 552 N MET A 86 2.568 -24.003 -19.702 1.00 34.54 N ATOM 553 CA MET A 86 1.368 -23.688 -18.937 1.00 13.24 C ATOM 554 C MET A 86 1.112 -24.744 -17.866 1.00 52.21 C ATOM 555 O MET A 86 -0.035 -25.096 -17.592 1.00 42.24 O ATOM 556 CB MET A 86 0.157 -23.581 -19.865 1.00 51.13 C ATOM 557 CG MET A 86 0.444 -22.827 -21.153 1.00 30.02 C ATOM 558 SD MET A 86 -0.972 -22.798 -22.270 1.00 53.03 S ATOM 559 CE MET A 86 -0.995 -21.070 -22.743 1.00 45.25 C ATOM 0 H MET A 86 3.343 -23.355 -19.559 1.00 34.54 H new ATOM 0 HA MET A 86 1.524 -22.728 -18.445 1.00 13.24 H new ATOM 0 HB2 MET A 86 -0.192 -24.584 -20.111 1.00 51.13 H new ATOM 0 HB3 MET A 86 -0.654 -23.082 -19.335 1.00 51.13 H new ATOM 0 HG2 MET A 86 0.734 -21.804 -20.914 1.00 30.02 H new ATOM 0 HG3 MET A 86 1.292 -23.289 -21.659 1.00 30.02 H new ATOM 0 HE1 MET A 86 -1.819 -20.893 -23.435 1.00 45.25 H new ATOM 0 HE2 MET A 86 -1.128 -20.452 -21.855 1.00 45.25 H new ATOM 0 HE3 MET A 86 -0.053 -20.813 -23.227 1.00 45.25 H new ATOM 569 N GLN A 87 2.187 -25.246 -17.268 1.00 41.51 N ATOM 570 CA GLN A 87 2.077 -26.264 -16.230 1.00 40.04 C ATOM 571 C GLN A 87 1.421 -25.694 -14.976 1.00 23.31 C ATOM 572 O GLN A 87 0.823 -24.619 -15.011 1.00 74.24 O ATOM 573 CB GLN A 87 3.459 -26.824 -15.887 1.00 51.30 C ATOM 574 CG GLN A 87 3.470 -28.330 -15.680 1.00 3.43 C ATOM 575 CD GLN A 87 3.993 -29.082 -16.888 1.00 4.24 C ATOM 576 OE1 GLN A 87 3.302 -29.931 -17.453 1.00 2.32 O ATOM 577 NE2 GLN A 87 5.220 -28.773 -17.293 1.00 53.13 N ATOM 0 H GLN A 87 3.143 -24.965 -17.484 1.00 41.51 H new ATOM 0 HA GLN A 87 1.450 -27.070 -16.612 1.00 40.04 H new ATOM 0 HB2 GLN A 87 4.154 -26.570 -16.688 1.00 51.30 H new ATOM 0 HB3 GLN A 87 3.824 -26.338 -14.982 1.00 51.30 H new ATOM 0 HG2 GLN A 87 4.086 -28.569 -14.813 1.00 3.43 H new ATOM 0 HG3 GLN A 87 2.459 -28.669 -15.456 1.00 3.43 H new ATOM 0 HE21 GLN A 87 5.758 -28.063 -16.796 1.00 53.13 H new ATOM 0 HE22 GLN A 87 5.624 -29.246 -18.101 1.00 53.13 H new ATOM 586 N CYS A 88 1.538 -26.422 -13.871 1.00 12.41 N ATOM 587 CA CYS A 88 0.956 -25.990 -12.606 1.00 24.20 C ATOM 588 C CYS A 88 1.793 -26.478 -11.427 1.00 10.21 C ATOM 589 O CYS A 88 1.390 -27.363 -10.671 1.00 45.32 O ATOM 590 CB CYS A 88 -0.478 -26.509 -12.477 1.00 52.14 C ATOM 591 SG CYS A 88 -1.710 -25.211 -12.133 1.00 5.41 S ATOM 0 H CYS A 88 2.031 -27.314 -13.826 1.00 12.41 H new ATOM 0 HA CYS A 88 0.944 -24.900 -12.594 1.00 24.20 H new ATOM 0 HB2 CYS A 88 -0.752 -27.020 -13.400 1.00 52.14 H new ATOM 0 HB3 CYS A 88 -0.514 -27.250 -11.679 1.00 52.14 H new ATOM 596 N PRO A 89 2.987 -25.889 -11.265 1.00 55.04 N ATOM 597 CA PRO A 89 3.906 -26.248 -10.180 1.00 1.44 C ATOM 598 C PRO A 89 3.392 -25.804 -8.815 1.00 12.10 C ATOM 599 O PRO A 89 3.510 -26.533 -7.830 1.00 54.21 O ATOM 600 CB PRO A 89 5.189 -25.494 -10.540 1.00 11.11 C ATOM 601 CG PRO A 89 4.733 -24.341 -11.366 1.00 42.22 C ATOM 602 CD PRO A 89 3.531 -24.828 -12.128 1.00 62.02 C ATOM 0 HA PRO A 89 4.038 -27.327 -10.096 1.00 1.44 H new ATOM 0 HB2 PRO A 89 5.714 -25.157 -9.646 1.00 11.11 H new ATOM 0 HB3 PRO A 89 5.879 -26.130 -11.095 1.00 11.11 H new ATOM 0 HG2 PRO A 89 4.478 -23.488 -10.738 1.00 42.22 H new ATOM 0 HG3 PRO A 89 5.519 -24.012 -12.046 1.00 42.22 H new ATOM 0 HD2 PRO A 89 2.806 -24.030 -12.289 1.00 62.02 H new ATOM 0 HD3 PRO A 89 3.806 -25.211 -13.111 1.00 62.02 H new ATOM 610 N ILE A 90 2.822 -24.604 -8.764 1.00 11.12 N ATOM 611 CA ILE A 90 2.289 -24.065 -7.520 1.00 5.13 C ATOM 612 C ILE A 90 1.354 -25.063 -6.843 1.00 44.54 C ATOM 613 O ILE A 90 1.196 -25.054 -5.622 1.00 34.43 O ATOM 614 CB ILE A 90 1.529 -22.746 -7.757 1.00 4.42 C ATOM 615 CG1 ILE A 90 2.396 -21.769 -8.554 1.00 63.44 C ATOM 616 CG2 ILE A 90 1.109 -22.130 -6.430 1.00 32.34 C ATOM 617 CD1 ILE A 90 3.763 -21.540 -7.946 1.00 22.01 C ATOM 0 H ILE A 90 2.718 -23.988 -9.570 1.00 11.12 H new ATOM 0 HA ILE A 90 3.142 -23.872 -6.870 1.00 5.13 H new ATOM 0 HB ILE A 90 0.630 -22.960 -8.336 1.00 4.42 H new ATOM 0 HG12 ILE A 90 2.517 -22.148 -9.569 1.00 63.44 H new ATOM 0 HG13 ILE A 90 1.877 -20.814 -8.630 1.00 63.44 H new ATOM 0 HG21 ILE A 90 0.573 -21.199 -6.614 1.00 32.34 H new ATOM 0 HG22 ILE A 90 0.459 -22.823 -5.897 1.00 32.34 H new ATOM 0 HG23 ILE A 90 1.994 -21.926 -5.827 1.00 32.34 H new ATOM 0 HD11 ILE A 90 4.323 -20.837 -8.563 1.00 22.01 H new ATOM 0 HD12 ILE A 90 3.651 -21.131 -6.942 1.00 22.01 H new ATOM 0 HD13 ILE A 90 4.302 -22.486 -7.895 1.00 22.01 H new ATOM 629 N CYS A 91 0.737 -25.924 -7.645 1.00 70.22 N ATOM 630 CA CYS A 91 -0.181 -26.930 -7.127 1.00 71.14 C ATOM 631 C CYS A 91 0.460 -27.716 -5.987 1.00 25.43 C ATOM 632 O CYS A 91 -0.233 -28.261 -5.129 1.00 73.44 O ATOM 633 CB CYS A 91 -0.607 -27.886 -8.243 1.00 11.22 C ATOM 634 SG CYS A 91 -2.005 -27.284 -9.243 1.00 42.40 S ATOM 0 H CYS A 91 0.857 -25.945 -8.658 1.00 70.22 H new ATOM 0 HA CYS A 91 -1.062 -26.417 -6.741 1.00 71.14 H new ATOM 0 HB2 CYS A 91 0.245 -28.064 -8.899 1.00 11.22 H new ATOM 0 HB3 CYS A 91 -0.876 -28.846 -7.802 1.00 11.22 H new ATOM 0 HG CYS A 91 -1.575 -26.421 -10.115 1.00 42.40 H new ATOM 639 N GLN A 92 1.789 -27.767 -5.984 1.00 5.34 N ATOM 640 CA GLN A 92 2.523 -28.486 -4.950 1.00 75.44 C ATOM 641 C GLN A 92 2.293 -27.855 -3.580 1.00 11.14 C ATOM 642 O GLN A 92 2.160 -28.558 -2.579 1.00 3.33 O ATOM 643 CB GLN A 92 4.019 -28.499 -5.273 1.00 20.43 C ATOM 644 CG GLN A 92 4.422 -29.595 -6.246 1.00 20.42 C ATOM 645 CD GLN A 92 4.873 -29.048 -7.585 1.00 10.20 C ATOM 646 OE1 GLN A 92 4.107 -29.022 -8.549 1.00 32.34 O ATOM 647 NE2 GLN A 92 6.124 -28.608 -7.655 1.00 72.25 N ATOM 0 H GLN A 92 2.378 -27.319 -6.686 1.00 5.34 H new ATOM 0 HA GLN A 92 2.154 -29.511 -4.924 1.00 75.44 H new ATOM 0 HB2 GLN A 92 4.300 -27.532 -5.691 1.00 20.43 H new ATOM 0 HB3 GLN A 92 4.581 -28.622 -4.347 1.00 20.43 H new ATOM 0 HG2 GLN A 92 5.227 -30.186 -5.809 1.00 20.42 H new ATOM 0 HG3 GLN A 92 3.579 -30.269 -6.398 1.00 20.42 H new ATOM 0 HE21 GLN A 92 6.725 -28.648 -6.832 1.00 72.25 H new ATOM 0 HE22 GLN A 92 6.483 -28.230 -8.532 1.00 72.25 H new ATOM 656 N ALA A 93 2.244 -26.528 -3.546 1.00 72.13 N ATOM 657 CA ALA A 93 2.028 -25.804 -2.299 1.00 63.31 C ATOM 658 C ALA A 93 0.726 -25.010 -2.345 1.00 11.30 C ATOM 659 O ALA A 93 0.555 -24.099 -3.154 1.00 21.23 O ATOM 660 CB ALA A 93 3.202 -24.880 -2.015 1.00 33.02 C ATOM 0 H ALA A 93 2.351 -25.932 -4.367 1.00 72.13 H new ATOM 0 HA ALA A 93 1.951 -26.533 -1.492 1.00 63.31 H new ATOM 0 HB1 ALA A 93 3.027 -24.346 -1.081 1.00 33.02 H new ATOM 0 HB2 ALA A 93 4.116 -25.468 -1.931 1.00 33.02 H new ATOM 0 HB3 ALA A 93 3.306 -24.163 -2.829 1.00 33.02 H new ATOM 666 N PRO A 94 -0.215 -25.363 -1.457 1.00 43.43 N ATOM 667 CA PRO A 94 -1.518 -24.697 -1.376 1.00 23.44 C ATOM 668 C PRO A 94 -1.408 -23.273 -0.841 1.00 64.23 C ATOM 669 O PRO A 94 -1.911 -22.965 0.239 1.00 52.23 O ATOM 670 CB PRO A 94 -2.306 -25.575 -0.401 1.00 62.23 C ATOM 671 CG PRO A 94 -1.268 -26.238 0.436 1.00 63.34 C ATOM 672 CD PRO A 94 -0.079 -26.441 -0.462 1.00 65.42 C ATOM 0 HA PRO A 94 -1.987 -24.598 -2.355 1.00 23.44 H new ATOM 0 HB2 PRO A 94 -2.985 -24.979 0.209 1.00 62.23 H new ATOM 0 HB3 PRO A 94 -2.914 -26.308 -0.931 1.00 62.23 H new ATOM 0 HG2 PRO A 94 -1.007 -25.621 1.295 1.00 63.34 H new ATOM 0 HG3 PRO A 94 -1.630 -27.190 0.825 1.00 63.34 H new ATOM 0 HD2 PRO A 94 0.858 -26.364 0.089 1.00 65.42 H new ATOM 0 HD3 PRO A 94 -0.093 -27.425 -0.931 1.00 65.42 H new ATOM 680 N TRP A 95 -0.748 -22.408 -1.604 1.00 53.35 N ATOM 681 CA TRP A 95 -0.573 -21.017 -1.205 1.00 41.42 C ATOM 682 C TRP A 95 -1.917 -20.301 -1.122 1.00 62.21 C ATOM 683 O TRP A 95 -2.902 -20.705 -1.742 1.00 71.12 O ATOM 684 CB TRP A 95 0.343 -20.293 -2.194 1.00 72.32 C ATOM 685 CG TRP A 95 -0.381 -19.752 -3.389 1.00 21.22 C ATOM 686 CD1 TRP A 95 -1.067 -20.471 -4.327 1.00 30.40 C ATOM 687 CD2 TRP A 95 -0.491 -18.378 -3.776 1.00 13.22 C ATOM 688 NE1 TRP A 95 -1.596 -19.626 -5.273 1.00 12.54 N ATOM 689 CE2 TRP A 95 -1.257 -18.337 -4.957 1.00 15.03 C ATOM 690 CE3 TRP A 95 -0.018 -17.178 -3.238 1.00 44.22 C ATOM 691 CZ2 TRP A 95 -1.558 -17.143 -5.607 1.00 61.32 C ATOM 692 CZ3 TRP A 95 -0.318 -15.994 -3.884 1.00 43.35 C ATOM 693 CH2 TRP A 95 -1.083 -15.983 -5.058 1.00 62.41 C ATOM 0 H TRP A 95 -0.326 -22.646 -2.502 1.00 53.35 H new ATOM 0 HA TRP A 95 -0.113 -21.004 -0.217 1.00 41.42 H new ATOM 0 HB2 TRP A 95 0.844 -19.473 -1.680 1.00 72.32 H new ATOM 0 HB3 TRP A 95 1.119 -20.981 -2.529 1.00 72.32 H new ATOM 0 HD1 TRP A 95 -1.177 -21.545 -4.325 1.00 30.40 H new ATOM 0 HE1 TRP A 95 -2.151 -19.912 -6.080 1.00 12.54 H new ATOM 0 HE3 TRP A 95 0.572 -17.176 -2.333 1.00 44.22 H new ATOM 0 HZ2 TRP A 95 -2.146 -17.133 -6.513 1.00 61.32 H new ATOM 0 HZ3 TRP A 95 0.043 -15.061 -3.477 1.00 43.35 H new ATOM 0 HH2 TRP A 95 -1.302 -15.041 -5.539 1.00 62.41 H new ATOM 704 N PRO A 96 -1.962 -19.213 -0.339 1.00 64.33 N ATOM 705 CA PRO A 96 -3.180 -18.419 -0.157 1.00 11.30 C ATOM 706 C PRO A 96 -3.563 -17.649 -1.416 1.00 51.53 C ATOM 707 O PRO A 96 -2.828 -16.769 -1.866 1.00 74.21 O ATOM 708 CB PRO A 96 -2.807 -17.450 0.968 1.00 34.20 C ATOM 709 CG PRO A 96 -1.324 -17.333 0.892 1.00 51.40 C ATOM 710 CD PRO A 96 -0.827 -18.674 0.428 1.00 62.54 C ATOM 0 HA PRO A 96 -4.044 -19.044 0.069 1.00 11.30 H new ATOM 0 HB2 PRO A 96 -3.288 -16.481 0.832 1.00 34.20 H new ATOM 0 HB3 PRO A 96 -3.125 -17.830 1.939 1.00 34.20 H new ATOM 0 HG2 PRO A 96 -1.030 -16.546 0.198 1.00 51.40 H new ATOM 0 HG3 PRO A 96 -0.902 -17.075 1.864 1.00 51.40 H new ATOM 0 HD2 PRO A 96 0.066 -18.580 -0.189 1.00 62.54 H new ATOM 0 HD3 PRO A 96 -0.567 -19.319 1.268 1.00 62.54 H new ATOM 718 N LEU A 97 -4.718 -17.984 -1.981 1.00 30.41 N ATOM 719 CA LEU A 97 -5.200 -17.323 -3.189 1.00 23.23 C ATOM 720 C LEU A 97 -5.480 -15.847 -2.927 1.00 11.21 C ATOM 721 O LEU A 97 -5.623 -15.425 -1.780 1.00 20.41 O ATOM 722 CB LEU A 97 -6.467 -18.011 -3.700 1.00 73.34 C ATOM 723 CG LEU A 97 -6.283 -19.418 -4.270 1.00 51.52 C ATOM 724 CD1 LEU A 97 -6.662 -20.467 -3.236 1.00 75.41 C ATOM 725 CD2 LEU A 97 -7.108 -19.592 -5.537 1.00 64.53 C ATOM 0 H LEU A 97 -5.338 -18.710 -1.622 1.00 30.41 H new ATOM 0 HA LEU A 97 -4.422 -17.397 -3.949 1.00 23.23 H new ATOM 0 HB2 LEU A 97 -7.184 -18.063 -2.880 1.00 73.34 H new ATOM 0 HB3 LEU A 97 -6.911 -17.383 -4.472 1.00 73.34 H new ATOM 0 HG LEU A 97 -5.231 -19.552 -4.524 1.00 51.52 H new ATOM 0 HD11 LEU A 97 -6.525 -21.462 -3.660 1.00 75.41 H new ATOM 0 HD12 LEU A 97 -6.028 -20.357 -2.356 1.00 75.41 H new ATOM 0 HD13 LEU A 97 -7.706 -20.335 -2.950 1.00 75.41 H new ATOM 0 HD21 LEU A 97 -6.965 -20.599 -5.929 1.00 64.53 H new ATOM 0 HD22 LEU A 97 -8.163 -19.438 -5.309 1.00 64.53 H new ATOM 0 HD23 LEU A 97 -6.788 -18.864 -6.282 1.00 64.53 H new ATOM 737 N GLY A 98 -5.560 -15.065 -4.000 1.00 31.13 N ATOM 738 CA GLY A 98 -5.825 -13.645 -3.865 1.00 1.22 C ATOM 739 C GLY A 98 -6.261 -13.010 -5.171 1.00 45.10 C ATOM 740 O GLY A 98 -6.303 -13.672 -6.207 1.00 31.54 O ATOM 0 H GLY A 98 -5.446 -15.390 -4.960 1.00 31.13 H new ATOM 0 HA2 GLY A 98 -6.600 -13.493 -3.114 1.00 1.22 H new ATOM 0 HA3 GLY A 98 -4.927 -13.144 -3.503 1.00 1.22 H new ATOM 744 N ALA A 99 -6.584 -11.722 -5.121 1.00 1.33 N ATOM 745 CA ALA A 99 -7.018 -10.998 -6.310 1.00 0.13 C ATOM 746 C ALA A 99 -5.868 -10.204 -6.919 1.00 52.12 C ATOM 747 O ALA A 99 -6.086 -9.266 -7.686 1.00 4.21 O ATOM 748 CB ALA A 99 -8.179 -10.073 -5.970 1.00 5.24 C ATOM 0 H ALA A 99 -6.554 -11.159 -4.271 1.00 1.33 H new ATOM 0 HA ALA A 99 -7.352 -11.727 -7.048 1.00 0.13 H new ATOM 0 HB1 ALA A 99 -8.493 -9.539 -6.867 1.00 5.24 H new ATOM 0 HB2 ALA A 99 -9.013 -10.661 -5.587 1.00 5.24 H new ATOM 0 HB3 ALA A 99 -7.863 -9.356 -5.212 1.00 5.24 H new ATOM 754 N ASP A 100 -4.644 -10.584 -6.572 1.00 73.42 N ATOM 755 CA ASP A 100 -3.459 -9.908 -7.085 1.00 42.41 C ATOM 756 C ASP A 100 -3.425 -9.951 -8.610 1.00 33.33 C ATOM 757 O ASP A 100 -3.005 -10.944 -9.205 1.00 21.43 O ATOM 758 CB ASP A 100 -2.192 -10.550 -6.517 1.00 5.23 C ATOM 759 CG ASP A 100 -0.932 -10.038 -7.187 1.00 31.30 C ATOM 760 OD1 ASP A 100 -0.764 -8.803 -7.269 1.00 41.45 O ATOM 761 OD2 ASP A 100 -0.115 -10.872 -7.630 1.00 54.40 O1- ATOM 0 H ASP A 100 -4.446 -11.357 -5.937 1.00 73.42 H new ATOM 0 HA ASP A 100 -3.502 -8.866 -6.769 1.00 42.41 H new ATOM 0 HB2 ASP A 100 -2.137 -10.352 -5.447 1.00 5.23 H new ATOM 0 HB3 ASP A 100 -2.251 -11.632 -6.639 1.00 5.23 H new ATOM 766 N THR A 101 -3.872 -8.867 -9.237 1.00 34.51 N ATOM 767 CA THR A 101 -3.896 -8.781 -10.692 1.00 51.20 C ATOM 768 C THR A 101 -2.496 -8.935 -11.274 1.00 23.01 C ATOM 769 O THR A 101 -1.489 -8.760 -10.588 1.00 33.00 O ATOM 770 CB THR A 101 -4.494 -7.444 -11.166 1.00 43.01 C ATOM 771 OG1 THR A 101 -4.267 -6.429 -10.181 1.00 71.21 O ATOM 772 CG2 THR A 101 -5.987 -7.580 -11.426 1.00 42.43 C ATOM 0 H THR A 101 -4.222 -8.036 -8.760 1.00 34.51 H new ATOM 0 HA THR A 101 -4.526 -9.597 -11.047 1.00 51.20 H new ATOM 0 HB THR A 101 -4.003 -7.162 -12.098 1.00 43.01 H new ATOM 0 HG1 THR A 101 -4.649 -5.581 -10.491 1.00 71.21 H new ATOM 0 HG21 THR A 101 -6.387 -6.623 -11.760 1.00 42.43 H new ATOM 0 HG22 THR A 101 -6.155 -8.332 -12.197 1.00 42.43 H new ATOM 0 HG23 THR A 101 -6.490 -7.883 -10.508 1.00 42.43 H new ATOM 780 N PRO A 102 -2.427 -9.268 -12.572 1.00 13.22 N ATOM 781 CA PRO A 102 -1.155 -9.449 -13.276 1.00 51.34 C ATOM 782 C PRO A 102 -0.408 -8.135 -13.473 1.00 42.24 C ATOM 783 O PRO A 102 -0.998 -7.057 -13.398 1.00 13.42 O ATOM 784 CB PRO A 102 -1.577 -10.032 -14.627 1.00 24.43 C ATOM 785 CG PRO A 102 -2.976 -9.558 -14.824 1.00 30.13 C ATOM 786 CD PRO A 102 -3.587 -9.491 -13.452 1.00 62.43 C ATOM 0 HA PRO A 102 -0.468 -10.085 -12.718 1.00 51.34 H new ATOM 0 HB2 PRO A 102 -0.925 -9.685 -15.429 1.00 24.43 H new ATOM 0 HB3 PRO A 102 -1.525 -11.121 -14.622 1.00 24.43 H new ATOM 0 HG2 PRO A 102 -2.993 -8.581 -15.307 1.00 30.13 H new ATOM 0 HG3 PRO A 102 -3.533 -10.241 -15.466 1.00 30.13 H new ATOM 0 HD2 PRO A 102 -4.312 -8.681 -13.374 1.00 62.43 H new ATOM 0 HD3 PRO A 102 -4.111 -10.413 -13.200 1.00 62.43 H new ATOM 794 N ALA A 103 0.893 -8.230 -13.727 1.00 73.33 N ATOM 795 CA ALA A 103 1.720 -7.049 -13.937 1.00 24.32 C ATOM 796 C ALA A 103 1.264 -6.272 -15.167 1.00 64.31 C ATOM 797 O ALA A 103 0.710 -6.845 -16.107 1.00 53.04 O ATOM 798 CB ALA A 103 3.182 -7.446 -14.074 1.00 0.53 C ATOM 0 H ALA A 103 1.397 -9.114 -13.792 1.00 73.33 H new ATOM 0 HA ALA A 103 1.611 -6.400 -13.068 1.00 24.32 H new ATOM 0 HB1 ALA A 103 3.788 -6.554 -14.230 1.00 0.53 H new ATOM 0 HB2 ALA A 103 3.508 -7.952 -13.165 1.00 0.53 H new ATOM 0 HB3 ALA A 103 3.299 -8.118 -14.925 1.00 0.53 H new ATOM 804 N LEU A 104 1.497 -4.964 -15.155 1.00 61.25 N ATOM 805 CA LEU A 104 1.109 -4.108 -16.270 1.00 74.14 C ATOM 806 C LEU A 104 1.616 -4.672 -17.594 1.00 73.01 C ATOM 807 O LEU A 104 2.746 -4.380 -17.980 1.00 2.04 O ATOM 808 CB LEU A 104 1.653 -2.692 -16.065 1.00 44.12 C ATOM 809 CG LEU A 104 0.851 -1.794 -15.124 1.00 22.34 C ATOM 810 CD1 LEU A 104 -0.577 -1.638 -15.624 1.00 12.14 C ATOM 811 CD2 LEU A 104 0.865 -2.356 -13.710 1.00 2.41 C ATOM 0 H LEU A 104 1.953 -4.473 -14.385 1.00 61.25 H new ATOM 0 HA LEU A 104 0.020 -4.072 -16.305 1.00 74.14 H new ATOM 0 HB2 LEU A 104 2.671 -2.767 -15.683 1.00 44.12 H new ATOM 0 HB3 LEU A 104 1.713 -2.203 -17.037 1.00 44.12 H new ATOM 0 HG LEU A 104 1.318 -0.809 -15.106 1.00 22.34 H new ATOM 0 HD11 LEU A 104 -1.133 -0.995 -14.942 1.00 12.14 H new ATOM 0 HD12 LEU A 104 -0.568 -1.190 -16.618 1.00 12.14 H new ATOM 0 HD13 LEU A 104 -1.055 -2.617 -15.672 1.00 12.14 H new ATOM 0 HD21 LEU A 104 0.289 -1.704 -13.054 1.00 2.41 H new ATOM 0 HD22 LEU A 104 0.423 -3.352 -13.710 1.00 2.41 H new ATOM 0 HD23 LEU A 104 1.893 -2.415 -13.352 1.00 2.41 H new TER 823 LEU A 104 HETATM 824 ZN ZN A 201 8.342 -19.054 -13.138 1.00 73.43 ZN HETATM 825 ZN ZN A 202 -2.722 -26.205 -9.852 1.00 64.31 ZN