USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 13 THR OG1 : rot -72:sc= 0.103 USER MOD Set 1.2: A 54 HIS : no HD1:sc= -0.169 X(o=-0.067,f=-0.0063) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0227 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 20 MET CE :methyl -134:sc= -1.41 (180deg=-6.67!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.42) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.706 (180deg=-0.195) USER MOD Single : A 32 SER OG : rot -154:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.36) USER MOD Single : A 45 HIS : no HE2:sc= -0.0101 X(o=-0.01,f=-0.46) USER MOD Single : A 49 GLN : amide:sc= 0.915 K(o=0.92,f=0) USER MOD Single : A 50 MET CE :methyl -104:sc=-0.00203 (180deg=-0.0546) USER MOD Single : A 55 THR OG1 : rot 30:sc= 1.48 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 60 GLN : amide:sc= 0.679 K(o=0.68,f=-4.7!) USER MOD Single : A 63 GLN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 69 THR OG1 : rot -115:sc= 1.78 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -9.308 2.944 14.965 1.00 2.80 N ATOM 2 CA GLY A 9 -9.453 3.932 13.893 1.00 0.92 C ATOM 3 C GLY A 9 -8.585 5.168 14.115 1.00 0.85 C ATOM 4 O GLY A 9 -9.036 6.300 13.931 1.00 1.33 O ATOM 0 HA2 GLY A 9 -9.188 3.472 12.941 1.00 0.92 H new ATOM 0 HA3 GLY A 9 -10.498 4.234 13.821 1.00 0.92 H new ATOM 8 N THR A 10 -7.333 4.936 14.509 1.00 0.90 N ATOM 9 CA THR A 10 -6.265 5.935 14.630 1.00 0.71 C ATOM 10 C THR A 10 -5.038 5.521 13.813 1.00 0.69 C ATOM 11 O THR A 10 -4.892 4.358 13.418 1.00 0.77 O ATOM 12 CB THR A 10 -5.952 6.263 16.096 1.00 0.73 C ATOM 13 OG1 THR A 10 -5.113 7.387 16.168 1.00 0.65 O ATOM 14 CG2 THR A 10 -5.296 5.141 16.886 1.00 0.94 C ATOM 0 H THR A 10 -7.018 4.000 14.766 1.00 0.90 H new ATOM 0 HA THR A 10 -6.618 6.872 14.199 1.00 0.71 H new ATOM 0 HB THR A 10 -6.926 6.442 16.551 1.00 0.73 H new ATOM 0 HG1 THR A 10 -4.919 7.591 17.107 1.00 0.65 H new ATOM 0 HG21 THR A 10 -5.116 5.473 17.909 1.00 0.94 H new ATOM 0 HG22 THR A 10 -5.953 4.271 16.897 1.00 0.94 H new ATOM 0 HG23 THR A 10 -4.348 4.874 16.419 1.00 0.94 H new ATOM 22 N LEU A 11 -4.207 6.501 13.460 1.00 0.65 N ATOM 23 CA LEU A 11 -3.233 6.373 12.382 1.00 0.69 C ATOM 24 C LEU A 11 -2.070 5.449 12.769 1.00 0.72 C ATOM 25 O LEU A 11 -1.566 5.480 13.898 1.00 0.86 O ATOM 26 CB LEU A 11 -2.699 7.747 11.919 1.00 0.69 C ATOM 27 CG LEU A 11 -2.378 7.733 10.409 1.00 1.15 C ATOM 28 CD1 LEU A 11 -3.546 8.294 9.609 1.00 2.41 C ATOM 29 CD2 LEU A 11 -1.134 8.502 10.010 1.00 1.94 C ATOM 0 H LEU A 11 -4.192 7.412 13.919 1.00 0.65 H new ATOM 0 HA LEU A 11 -3.761 5.918 11.544 1.00 0.69 H new ATOM 0 HB2 LEU A 11 -3.439 8.519 12.130 1.00 0.69 H new ATOM 0 HB3 LEU A 11 -1.802 8.002 12.483 1.00 0.69 H new ATOM 0 HG LEU A 11 -2.195 6.682 10.184 1.00 1.15 H new ATOM 0 HD11 LEU A 11 -3.301 8.276 8.547 1.00 2.41 H new ATOM 0 HD12 LEU A 11 -4.434 7.687 9.787 1.00 2.41 H new ATOM 0 HD13 LEU A 11 -3.740 9.321 9.919 1.00 2.41 H new ATOM 0 HD21 LEU A 11 -0.994 8.433 8.931 1.00 1.94 H new ATOM 0 HD22 LEU A 11 -1.246 9.548 10.295 1.00 1.94 H new ATOM 0 HD23 LEU A 11 -0.267 8.079 10.517 1.00 1.94 H new ATOM 41 N CYS A 12 -1.616 4.675 11.791 1.00 0.59 N ATOM 42 CA CYS A 12 -0.363 3.929 11.814 1.00 0.44 C ATOM 43 C CYS A 12 0.193 3.766 10.393 1.00 0.30 C ATOM 44 O CYS A 12 -0.535 3.870 9.404 1.00 0.35 O ATOM 45 CB CYS A 12 -0.581 2.559 12.462 1.00 0.72 C ATOM 46 SG CYS A 12 0.971 1.942 13.182 1.00 2.64 S ATOM 0 H CYS A 12 -2.134 4.544 10.922 1.00 0.59 H new ATOM 0 HA CYS A 12 0.365 4.486 12.404 1.00 0.44 H new ATOM 0 HB2 CYS A 12 -1.344 2.634 13.237 1.00 0.72 H new ATOM 0 HB3 CYS A 12 -0.950 1.853 11.718 1.00 0.72 H new ATOM 0 HG CYS A 12 0.764 0.781 13.728 1.00 2.64 H new ATOM 52 N THR A 13 1.487 3.487 10.300 1.00 0.27 N ATOM 53 CA THR A 13 2.144 3.037 9.068 1.00 0.21 C ATOM 54 C THR A 13 1.950 1.530 8.927 1.00 0.25 C ATOM 55 O THR A 13 2.502 0.768 9.719 1.00 0.51 O ATOM 56 CB THR A 13 3.641 3.345 9.143 1.00 0.28 C ATOM 57 OG1 THR A 13 3.876 4.726 9.300 1.00 0.41 O ATOM 58 CG2 THR A 13 4.395 2.935 7.879 1.00 0.35 C ATOM 0 H THR A 13 2.126 3.567 11.091 1.00 0.27 H new ATOM 0 HA THR A 13 1.710 3.553 8.211 1.00 0.21 H new ATOM 0 HB THR A 13 3.997 2.774 10.000 1.00 0.28 H new ATOM 0 HG1 THR A 13 3.677 5.189 8.460 1.00 0.41 H new ATOM 0 HG21 THR A 13 5.452 3.178 7.991 1.00 0.35 H new ATOM 0 HG22 THR A 13 4.284 1.862 7.721 1.00 0.35 H new ATOM 0 HG23 THR A 13 3.988 3.472 7.022 1.00 0.35 H new ATOM 66 N LEU A 14 1.213 1.088 7.911 1.00 0.24 N ATOM 67 CA LEU A 14 1.145 -0.318 7.499 1.00 0.24 C ATOM 68 C LEU A 14 2.224 -0.577 6.435 1.00 0.25 C ATOM 69 O LEU A 14 2.294 0.151 5.447 1.00 0.30 O ATOM 70 CB LEU A 14 -0.279 -0.633 7.004 1.00 0.29 C ATOM 71 CG LEU A 14 -1.302 -1.037 8.090 1.00 0.45 C ATOM 72 CD1 LEU A 14 -1.270 -0.210 9.372 1.00 0.91 C ATOM 73 CD2 LEU A 14 -2.726 -0.937 7.532 1.00 1.68 C ATOM 0 H LEU A 14 0.635 1.704 7.339 1.00 0.24 H new ATOM 0 HA LEU A 14 1.346 -0.987 8.336 1.00 0.24 H new ATOM 0 HB2 LEU A 14 -0.662 0.243 6.481 1.00 0.29 H new ATOM 0 HB3 LEU A 14 -0.218 -1.439 6.273 1.00 0.29 H new ATOM 0 HG LEU A 14 -1.014 -2.054 8.355 1.00 0.45 H new ATOM 0 HD11 LEU A 14 -2.028 -0.580 10.063 1.00 0.91 H new ATOM 0 HD12 LEU A 14 -0.286 -0.293 9.834 1.00 0.91 H new ATOM 0 HD13 LEU A 14 -1.473 0.835 9.136 1.00 0.91 H new ATOM 0 HD21 LEU A 14 -3.440 -1.223 8.304 1.00 1.68 H new ATOM 0 HD22 LEU A 14 -2.923 0.088 7.218 1.00 1.68 H new ATOM 0 HD23 LEU A 14 -2.829 -1.604 6.676 1.00 1.68 H new ATOM 85 N GLU A 15 3.062 -1.597 6.639 1.00 0.33 N ATOM 86 CA GLU A 15 4.219 -1.935 5.795 1.00 0.36 C ATOM 87 C GLU A 15 3.951 -3.232 5.010 1.00 0.33 C ATOM 88 O GLU A 15 4.236 -4.337 5.476 1.00 0.41 O ATOM 89 CB GLU A 15 5.497 -2.029 6.662 1.00 0.48 C ATOM 90 CG GLU A 15 5.878 -0.680 7.295 1.00 1.13 C ATOM 91 CD GLU A 15 7.284 -0.649 7.928 1.00 1.28 C ATOM 92 OE1 GLU A 15 7.768 -1.675 8.472 1.00 1.59 O ATOM 93 OE2 GLU A 15 7.924 0.429 7.921 1.00 2.40 O ATOM 0 H GLU A 15 2.952 -2.237 7.426 1.00 0.33 H new ATOM 0 HA GLU A 15 4.377 -1.144 5.062 1.00 0.36 H new ATOM 0 HB2 GLU A 15 5.345 -2.767 7.450 1.00 0.48 H new ATOM 0 HB3 GLU A 15 6.324 -2.385 6.048 1.00 0.48 H new ATOM 0 HG2 GLU A 15 5.819 0.096 6.531 1.00 1.13 H new ATOM 0 HG3 GLU A 15 5.143 -0.431 8.060 1.00 1.13 H new ATOM 100 N PHE A 16 3.379 -3.113 3.810 1.00 0.32 N ATOM 101 CA PHE A 16 2.898 -4.254 3.015 1.00 0.32 C ATOM 102 C PHE A 16 3.896 -4.690 1.947 1.00 0.30 C ATOM 103 O PHE A 16 4.536 -3.866 1.311 1.00 0.36 O ATOM 104 CB PHE A 16 1.598 -3.909 2.277 1.00 0.33 C ATOM 105 CG PHE A 16 0.310 -3.897 3.055 1.00 0.29 C ATOM 106 CD1 PHE A 16 -0.135 -2.715 3.666 1.00 1.63 C ATOM 107 CD2 PHE A 16 -0.503 -5.047 3.052 1.00 1.37 C ATOM 108 CE1 PHE A 16 -1.412 -2.672 4.247 1.00 1.61 C ATOM 109 CE2 PHE A 16 -1.774 -5.002 3.643 1.00 1.40 C ATOM 110 CZ PHE A 16 -2.234 -3.813 4.229 1.00 0.30 C ATOM 0 H PHE A 16 3.233 -2.212 3.354 1.00 0.32 H new ATOM 0 HA PHE A 16 2.748 -5.058 3.736 1.00 0.32 H new ATOM 0 HB2 PHE A 16 1.723 -2.923 1.829 1.00 0.33 H new ATOM 0 HB3 PHE A 16 1.484 -4.619 1.458 1.00 0.33 H new ATOM 0 HD1 PHE A 16 0.502 -1.843 3.689 1.00 1.63 H new ATOM 0 HD2 PHE A 16 -0.149 -5.960 2.596 1.00 1.37 H new ATOM 0 HE1 PHE A 16 -1.764 -1.761 4.709 1.00 1.61 H new ATOM 0 HE2 PHE A 16 -2.399 -5.883 3.647 1.00 1.40 H new ATOM 0 HZ PHE A 16 -3.221 -3.774 4.667 1.00 0.30 H new ATOM 120 N ALA A 17 3.929 -5.986 1.670 1.00 0.32 N ATOM 121 CA ALA A 17 4.556 -6.577 0.484 1.00 0.35 C ATOM 122 C ALA A 17 3.548 -6.721 -0.674 1.00 0.44 C ATOM 123 O ALA A 17 2.370 -6.991 -0.438 1.00 0.67 O ATOM 124 CB ALA A 17 5.173 -7.920 0.876 1.00 0.37 C ATOM 0 H ALA A 17 3.507 -6.684 2.283 1.00 0.32 H new ATOM 0 HA ALA A 17 5.343 -5.917 0.119 1.00 0.35 H new ATOM 0 HB1 ALA A 17 5.644 -8.373 0.003 1.00 0.37 H new ATOM 0 HB2 ALA A 17 5.922 -7.764 1.652 1.00 0.37 H new ATOM 0 HB3 ALA A 17 4.394 -8.583 1.252 1.00 0.37 H new ATOM 130 N VAL A 18 3.988 -6.532 -1.921 1.00 0.35 N ATOM 131 CA VAL A 18 3.152 -6.616 -3.141 1.00 0.32 C ATOM 132 C VAL A 18 3.901 -7.272 -4.306 1.00 0.36 C ATOM 133 O VAL A 18 5.128 -7.198 -4.383 1.00 0.56 O ATOM 134 CB VAL A 18 2.642 -5.226 -3.581 1.00 0.39 C ATOM 135 CG1 VAL A 18 1.524 -4.678 -2.683 1.00 0.52 C ATOM 136 CG2 VAL A 18 3.768 -4.210 -3.612 1.00 0.45 C ATOM 0 H VAL A 18 4.962 -6.309 -2.125 1.00 0.35 H new ATOM 0 HA VAL A 18 2.298 -7.241 -2.879 1.00 0.32 H new ATOM 0 HB VAL A 18 2.237 -5.375 -4.582 1.00 0.39 H new ATOM 0 HG11 VAL A 18 1.212 -3.699 -3.047 1.00 0.52 H new ATOM 0 HG12 VAL A 18 0.674 -5.361 -2.702 1.00 0.52 H new ATOM 0 HG13 VAL A 18 1.891 -4.584 -1.661 1.00 0.52 H new ATOM 0 HG21 VAL A 18 3.376 -3.242 -3.925 1.00 0.45 H new ATOM 0 HG22 VAL A 18 4.204 -4.120 -2.617 1.00 0.45 H new ATOM 0 HG23 VAL A 18 4.534 -4.537 -4.316 1.00 0.45 H new ATOM 146 N GLN A 19 3.188 -7.894 -5.250 1.00 0.34 N ATOM 147 CA GLN A 19 3.822 -8.548 -6.407 1.00 0.48 C ATOM 148 C GLN A 19 3.987 -7.564 -7.593 1.00 0.49 C ATOM 149 O GLN A 19 3.097 -7.446 -8.436 1.00 0.56 O ATOM 150 CB GLN A 19 2.995 -9.811 -6.742 1.00 0.68 C ATOM 151 CG GLN A 19 3.718 -10.786 -7.685 1.00 1.40 C ATOM 152 CD GLN A 19 2.913 -12.052 -7.999 1.00 1.97 C ATOM 153 OE1 GLN A 19 1.703 -12.149 -7.803 1.00 2.84 O ATOM 154 NE2 GLN A 19 3.540 -13.074 -8.532 1.00 2.82 N ATOM 0 H GLN A 19 2.170 -7.960 -5.239 1.00 0.34 H new ATOM 0 HA GLN A 19 4.840 -8.859 -6.174 1.00 0.48 H new ATOM 0 HB2 GLN A 19 2.748 -10.330 -5.816 1.00 0.68 H new ATOM 0 HB3 GLN A 19 2.053 -9.508 -7.199 1.00 0.68 H new ATOM 0 HG2 GLN A 19 3.948 -10.272 -8.618 1.00 1.40 H new ATOM 0 HG3 GLN A 19 4.669 -11.073 -7.237 1.00 1.40 H new ATOM 0 HE21 GLN A 19 4.544 -13.022 -8.706 1.00 2.82 H new ATOM 0 HE22 GLN A 19 3.024 -13.920 -8.772 1.00 2.82 H new ATOM 163 N MET A 20 5.132 -6.868 -7.685 1.00 0.49 N ATOM 164 CA MET A 20 5.511 -6.031 -8.844 1.00 0.54 C ATOM 165 C MET A 20 7.031 -5.932 -9.067 1.00 0.59 C ATOM 166 O MET A 20 7.801 -5.999 -8.109 1.00 0.64 O ATOM 167 CB MET A 20 4.921 -4.620 -8.714 1.00 0.51 C ATOM 168 CG MET A 20 5.208 -3.911 -7.389 1.00 0.42 C ATOM 169 SD MET A 20 4.449 -2.267 -7.296 1.00 0.66 S ATOM 170 CE MET A 20 5.008 -1.781 -5.648 1.00 0.40 C ATOM 0 H MET A 20 5.835 -6.869 -6.946 1.00 0.49 H new ATOM 0 HA MET A 20 5.093 -6.534 -9.716 1.00 0.54 H new ATOM 0 HB2 MET A 20 5.308 -4.006 -9.527 1.00 0.51 H new ATOM 0 HB3 MET A 20 3.841 -4.682 -8.848 1.00 0.51 H new ATOM 0 HG2 MET A 20 4.839 -4.524 -6.566 1.00 0.42 H new ATOM 0 HG3 MET A 20 6.286 -3.817 -7.258 1.00 0.42 H new ATOM 0 HE1 MET A 20 4.173 -1.357 -5.091 1.00 0.40 H new ATOM 0 HE2 MET A 20 5.389 -2.655 -5.121 1.00 0.40 H new ATOM 0 HE3 MET A 20 5.800 -1.037 -5.737 1.00 0.40 H new ATOM 180 N THR A 21 7.465 -5.753 -10.323 1.00 0.70 N ATOM 181 CA THR A 21 8.883 -5.882 -10.743 1.00 0.89 C ATOM 182 C THR A 21 9.426 -4.767 -11.660 1.00 0.72 C ATOM 183 O THR A 21 10.643 -4.724 -11.880 1.00 0.85 O ATOM 184 CB THR A 21 9.124 -7.237 -11.435 1.00 1.30 C ATOM 185 OG1 THR A 21 8.374 -7.328 -12.624 1.00 2.81 O ATOM 186 CG2 THR A 21 8.771 -8.446 -10.572 1.00 1.55 C ATOM 0 H THR A 21 6.839 -5.511 -11.091 1.00 0.70 H new ATOM 0 HA THR A 21 9.433 -5.796 -9.806 1.00 0.89 H new ATOM 0 HB THR A 21 10.195 -7.264 -11.633 1.00 1.30 H new ATOM 0 HG1 THR A 21 8.541 -8.194 -13.051 1.00 2.81 H new ATOM 0 HG21 THR A 21 8.968 -9.361 -11.130 1.00 1.55 H new ATOM 0 HG22 THR A 21 9.377 -8.435 -9.666 1.00 1.55 H new ATOM 0 HG23 THR A 21 7.715 -8.405 -10.303 1.00 1.55 H new ATOM 194 N CYS A 22 8.572 -3.878 -12.187 1.00 0.60 N ATOM 195 CA CYS A 22 8.940 -2.762 -13.063 1.00 0.60 C ATOM 196 C CYS A 22 8.034 -1.506 -12.880 1.00 0.63 C ATOM 197 O CYS A 22 6.939 -1.583 -12.317 1.00 0.72 O ATOM 198 CB CYS A 22 8.999 -3.306 -14.507 1.00 0.80 C ATOM 199 SG CYS A 22 7.500 -4.138 -15.118 1.00 1.77 S ATOM 0 H CYS A 22 7.569 -3.920 -12.007 1.00 0.60 H new ATOM 0 HA CYS A 22 9.924 -2.380 -12.790 1.00 0.60 H new ATOM 0 HB2 CYS A 22 9.226 -2.476 -15.176 1.00 0.80 H new ATOM 0 HB3 CYS A 22 9.831 -4.007 -14.575 1.00 0.80 H new ATOM 204 N GLN A 23 8.506 -0.342 -13.354 1.00 0.66 N ATOM 205 CA GLN A 23 8.003 0.999 -12.987 1.00 0.78 C ATOM 206 C GLN A 23 6.545 1.355 -13.365 1.00 0.85 C ATOM 207 O GLN A 23 5.994 2.300 -12.794 1.00 0.92 O ATOM 208 CB GLN A 23 8.996 2.077 -13.465 1.00 0.82 C ATOM 209 CG GLN A 23 10.093 2.346 -12.415 1.00 1.35 C ATOM 210 CD GLN A 23 9.604 3.089 -11.164 1.00 1.65 C ATOM 211 OE1 GLN A 23 8.648 3.856 -11.175 1.00 2.63 O ATOM 212 NE2 GLN A 23 10.250 2.926 -10.032 1.00 1.74 N ATOM 0 H GLN A 23 9.273 -0.303 -14.025 1.00 0.66 H new ATOM 0 HA GLN A 23 7.946 0.969 -11.899 1.00 0.78 H new ATOM 0 HB2 GLN A 23 9.457 1.758 -14.400 1.00 0.82 H new ATOM 0 HB3 GLN A 23 8.457 3.001 -13.674 1.00 0.82 H new ATOM 0 HG2 GLN A 23 10.529 1.394 -12.111 1.00 1.35 H new ATOM 0 HG3 GLN A 23 10.889 2.927 -12.880 1.00 1.35 H new ATOM 0 HE21 GLN A 23 11.050 2.295 -9.988 1.00 1.74 H new ATOM 0 HE22 GLN A 23 9.951 3.430 -9.197 1.00 1.74 H new ATOM 221 N SER A 24 5.875 0.619 -14.260 1.00 0.91 N ATOM 222 CA SER A 24 4.444 0.833 -14.568 1.00 1.01 C ATOM 223 C SER A 24 3.489 0.257 -13.520 1.00 0.99 C ATOM 224 O SER A 24 2.372 0.761 -13.390 1.00 1.13 O ATOM 225 CB SER A 24 4.081 0.314 -15.966 1.00 1.08 C ATOM 226 OG SER A 24 4.227 -1.093 -16.070 1.00 2.92 O ATOM 0 H SER A 24 6.301 -0.140 -14.792 1.00 0.91 H new ATOM 0 HA SER A 24 4.310 1.914 -14.545 1.00 1.01 H new ATOM 0 HB2 SER A 24 3.052 0.589 -16.198 1.00 1.08 H new ATOM 0 HB3 SER A 24 4.715 0.799 -16.708 1.00 1.08 H new ATOM 0 HG SER A 24 3.984 -1.381 -16.975 1.00 2.92 H new ATOM 232 N CYS A 25 3.917 -0.735 -12.734 1.00 0.83 N ATOM 233 CA CYS A 25 3.135 -1.263 -11.630 1.00 0.72 C ATOM 234 C CYS A 25 3.078 -0.239 -10.473 1.00 0.60 C ATOM 235 O CYS A 25 2.025 0.100 -9.956 1.00 0.64 O ATOM 236 CB CYS A 25 3.813 -2.575 -11.209 1.00 0.69 C ATOM 237 SG CYS A 25 3.885 -3.927 -12.417 1.00 1.23 S ATOM 0 H CYS A 25 4.821 -1.192 -12.852 1.00 0.83 H new ATOM 0 HA CYS A 25 2.101 -1.451 -11.918 1.00 0.72 H new ATOM 0 HB2 CYS A 25 4.835 -2.341 -10.909 1.00 0.69 H new ATOM 0 HB3 CYS A 25 3.298 -2.947 -10.323 1.00 0.69 H new ATOM 242 N VAL A 26 4.247 0.282 -10.112 1.00 0.60 N ATOM 243 CA VAL A 26 4.560 1.226 -9.027 1.00 0.59 C ATOM 244 C VAL A 26 3.668 2.461 -9.105 1.00 0.58 C ATOM 245 O VAL A 26 2.918 2.731 -8.172 1.00 0.62 O ATOM 246 CB VAL A 26 6.059 1.609 -9.114 1.00 0.67 C ATOM 247 CG1 VAL A 26 6.688 1.944 -7.762 1.00 0.68 C ATOM 248 CG2 VAL A 26 6.900 0.452 -9.619 1.00 0.91 C ATOM 0 H VAL A 26 5.093 0.030 -10.623 1.00 0.60 H new ATOM 0 HA VAL A 26 4.366 0.753 -8.064 1.00 0.59 H new ATOM 0 HB VAL A 26 6.060 2.473 -9.778 1.00 0.67 H new ATOM 0 HG11 VAL A 26 7.738 2.202 -7.903 1.00 0.68 H new ATOM 0 HG12 VAL A 26 6.163 2.789 -7.316 1.00 0.68 H new ATOM 0 HG13 VAL A 26 6.612 1.080 -7.101 1.00 0.68 H new ATOM 0 HG21 VAL A 26 7.946 0.756 -9.667 1.00 0.91 H new ATOM 0 HG22 VAL A 26 6.799 -0.395 -8.940 1.00 0.91 H new ATOM 0 HG23 VAL A 26 6.560 0.162 -10.613 1.00 0.91 H new ATOM 258 N ASP A 27 3.641 3.139 -10.254 1.00 0.57 N ATOM 259 CA ASP A 27 2.746 4.278 -10.514 1.00 0.61 C ATOM 260 C ASP A 27 1.260 3.915 -10.391 1.00 0.58 C ATOM 261 O ASP A 27 0.431 4.752 -10.029 1.00 0.73 O ATOM 262 CB ASP A 27 2.990 4.759 -11.944 1.00 0.75 C ATOM 263 CG ASP A 27 2.606 6.226 -12.130 1.00 1.26 C ATOM 264 OD1 ASP A 27 3.316 7.110 -11.593 1.00 1.78 O ATOM 265 OD2 ASP A 27 1.610 6.530 -12.825 1.00 2.58 O ATOM 0 H ASP A 27 4.246 2.913 -11.043 1.00 0.57 H new ATOM 0 HA ASP A 27 2.966 5.042 -9.768 1.00 0.61 H new ATOM 0 HB2 ASP A 27 4.042 4.625 -12.197 1.00 0.75 H new ATOM 0 HB3 ASP A 27 2.415 4.144 -12.636 1.00 0.75 H new ATOM 270 N ALA A 28 0.921 2.661 -10.695 1.00 0.50 N ATOM 271 CA ALA A 28 -0.455 2.173 -10.621 1.00 0.50 C ATOM 272 C ALA A 28 -0.885 1.833 -9.188 1.00 0.46 C ATOM 273 O ALA A 28 -1.991 2.219 -8.790 1.00 0.51 O ATOM 274 CB ALA A 28 -0.650 1.013 -11.593 1.00 0.54 C ATOM 0 H ALA A 28 1.593 1.956 -10.999 1.00 0.50 H new ATOM 0 HA ALA A 28 -1.120 2.981 -10.928 1.00 0.50 H new ATOM 0 HB1 ALA A 28 -1.678 0.656 -11.531 1.00 0.54 H new ATOM 0 HB2 ALA A 28 -0.444 1.351 -12.609 1.00 0.54 H new ATOM 0 HB3 ALA A 28 0.032 0.203 -11.334 1.00 0.54 H new ATOM 280 N VAL A 29 -0.026 1.200 -8.372 1.00 0.41 N ATOM 281 CA VAL A 29 -0.346 0.927 -6.979 1.00 0.41 C ATOM 282 C VAL A 29 -0.377 2.215 -6.167 1.00 0.46 C ATOM 283 O VAL A 29 -1.314 2.408 -5.396 1.00 0.56 O ATOM 284 CB VAL A 29 0.593 -0.119 -6.353 1.00 0.45 C ATOM 285 CG1 VAL A 29 -0.087 -0.687 -5.113 1.00 0.60 C ATOM 286 CG2 VAL A 29 0.837 -1.333 -7.248 1.00 0.43 C ATOM 0 H VAL A 29 0.895 0.871 -8.663 1.00 0.41 H new ATOM 0 HA VAL A 29 -1.345 0.491 -6.958 1.00 0.41 H new ATOM 0 HB VAL A 29 1.536 0.394 -6.165 1.00 0.45 H new ATOM 0 HG11 VAL A 29 0.561 -1.432 -4.652 1.00 0.60 H new ATOM 0 HG12 VAL A 29 -0.279 0.117 -4.403 1.00 0.60 H new ATOM 0 HG13 VAL A 29 -1.031 -1.153 -5.397 1.00 0.60 H new ATOM 0 HG21 VAL A 29 1.508 -2.028 -6.743 1.00 0.43 H new ATOM 0 HG22 VAL A 29 -0.111 -1.829 -7.455 1.00 0.43 H new ATOM 0 HG23 VAL A 29 1.289 -1.009 -8.185 1.00 0.43 H new ATOM 296 N ARG A 30 0.552 3.152 -6.413 1.00 0.43 N ATOM 297 CA ARG A 30 0.563 4.486 -5.792 1.00 0.45 C ATOM 298 C ARG A 30 -0.770 5.202 -5.998 1.00 0.50 C ATOM 299 O ARG A 30 -1.317 5.777 -5.058 1.00 0.56 O ATOM 300 CB ARG A 30 1.702 5.319 -6.429 1.00 0.50 C ATOM 301 CG ARG A 30 3.112 4.889 -5.984 1.00 0.57 C ATOM 302 CD ARG A 30 4.216 5.534 -6.850 1.00 0.61 C ATOM 303 NE ARG A 30 4.700 6.778 -6.228 1.00 1.39 N ATOM 304 CZ ARG A 30 5.761 7.508 -6.518 1.00 1.82 C ATOM 305 NH1 ARG A 30 6.568 7.240 -7.505 1.00 2.70 N ATOM 306 NH2 ARG A 30 6.029 8.548 -5.784 1.00 2.67 N ATOM 0 H ARG A 30 1.328 3.002 -7.058 1.00 0.43 H new ATOM 0 HA ARG A 30 0.723 4.375 -4.720 1.00 0.45 H new ATOM 0 HB2 ARG A 30 1.634 5.240 -7.514 1.00 0.50 H new ATOM 0 HB3 ARG A 30 1.556 6.369 -6.176 1.00 0.50 H new ATOM 0 HG2 ARG A 30 3.262 5.166 -4.940 1.00 0.57 H new ATOM 0 HG3 ARG A 30 3.195 3.804 -6.041 1.00 0.57 H new ATOM 0 HD2 ARG A 30 5.044 4.836 -6.973 1.00 0.61 H new ATOM 0 HD3 ARG A 30 3.827 5.746 -7.846 1.00 0.61 H new ATOM 0 HE ARG A 30 4.130 7.128 -5.458 1.00 1.39 H new ATOM 0 HH11 ARG A 30 6.394 6.430 -8.100 1.00 2.70 H new ATOM 0 HH12 ARG A 30 7.373 7.840 -7.683 1.00 2.70 H new ATOM 0 HH21 ARG A 30 5.423 8.788 -4.999 1.00 2.67 H new ATOM 0 HH22 ARG A 30 6.845 9.124 -5.993 1.00 2.67 H new ATOM 320 N LYS A 31 -1.337 5.129 -7.207 1.00 0.50 N ATOM 321 CA LYS A 31 -2.519 5.926 -7.571 1.00 0.52 C ATOM 322 C LYS A 31 -3.840 5.338 -7.054 1.00 0.55 C ATOM 323 O LYS A 31 -4.773 6.102 -6.800 1.00 0.58 O ATOM 324 CB LYS A 31 -2.458 6.305 -9.058 1.00 0.63 C ATOM 325 CG LYS A 31 -1.324 7.342 -9.165 1.00 0.62 C ATOM 326 CD LYS A 31 -0.968 7.835 -10.565 1.00 0.76 C ATOM 327 CE LYS A 31 0.162 8.837 -10.324 1.00 0.82 C ATOM 328 NZ LYS A 31 0.973 9.091 -11.539 1.00 1.20 N ATOM 0 H LYS A 31 -0.996 4.524 -7.954 1.00 0.50 H new ATOM 0 HA LYS A 31 -2.495 6.874 -7.034 1.00 0.52 H new ATOM 0 HB2 LYS A 31 -2.253 5.433 -9.679 1.00 0.63 H new ATOM 0 HB3 LYS A 31 -3.406 6.722 -9.397 1.00 0.63 H new ATOM 0 HG2 LYS A 31 -1.597 8.207 -8.560 1.00 0.62 H new ATOM 0 HG3 LYS A 31 -0.427 6.911 -8.719 1.00 0.62 H new ATOM 0 HD2 LYS A 31 -0.646 7.016 -11.207 1.00 0.76 H new ATOM 0 HD3 LYS A 31 -1.822 8.305 -11.053 1.00 0.76 H new ATOM 0 HE2 LYS A 31 -0.262 9.778 -9.972 1.00 0.82 H new ATOM 0 HE3 LYS A 31 0.810 8.463 -9.532 1.00 0.82 H new ATOM 0 HZ1 LYS A 31 1.924 9.407 -11.262 1.00 1.20 H new ATOM 0 HZ2 LYS A 31 1.048 8.216 -12.096 1.00 1.20 H new ATOM 0 HZ3 LYS A 31 0.517 9.829 -12.113 1.00 1.20 H new ATOM 342 N SER A 32 -3.874 4.040 -6.718 1.00 0.56 N ATOM 343 CA SER A 32 -4.958 3.449 -5.903 1.00 0.59 C ATOM 344 C SER A 32 -5.052 4.071 -4.488 1.00 0.58 C ATOM 345 O SER A 32 -6.136 4.110 -3.901 1.00 0.73 O ATOM 346 CB SER A 32 -4.764 1.925 -5.816 1.00 0.65 C ATOM 347 OG SER A 32 -5.858 1.303 -5.165 1.00 0.96 O ATOM 0 H SER A 32 -3.158 3.370 -6.999 1.00 0.56 H new ATOM 0 HA SER A 32 -5.902 3.673 -6.399 1.00 0.59 H new ATOM 0 HB2 SER A 32 -4.653 1.513 -6.819 1.00 0.65 H new ATOM 0 HB3 SER A 32 -3.843 1.704 -5.276 1.00 0.65 H new ATOM 0 HG SER A 32 -5.560 0.465 -4.754 1.00 0.96 H new ATOM 353 N LEU A 33 -3.942 4.604 -3.952 1.00 0.58 N ATOM 354 CA LEU A 33 -3.833 5.181 -2.598 1.00 0.61 C ATOM 355 C LEU A 33 -3.921 6.720 -2.563 1.00 0.53 C ATOM 356 O LEU A 33 -4.242 7.315 -1.529 1.00 0.62 O ATOM 357 CB LEU A 33 -2.466 4.817 -1.983 1.00 0.65 C ATOM 358 CG LEU A 33 -1.899 3.403 -2.193 1.00 0.52 C ATOM 359 CD1 LEU A 33 -0.389 3.368 -1.948 1.00 0.66 C ATOM 360 CD2 LEU A 33 -2.539 2.388 -1.264 1.00 0.58 C ATOM 0 H LEU A 33 -3.063 4.648 -4.467 1.00 0.58 H new ATOM 0 HA LEU A 33 -4.676 4.767 -2.045 1.00 0.61 H new ATOM 0 HB2 LEU A 33 -1.733 5.525 -2.371 1.00 0.65 H new ATOM 0 HB3 LEU A 33 -2.535 4.986 -0.908 1.00 0.65 H new ATOM 0 HG LEU A 33 -2.123 3.144 -3.228 1.00 0.52 H new ATOM 0 HD11 LEU A 33 -0.018 2.355 -2.104 1.00 0.66 H new ATOM 0 HD12 LEU A 33 0.108 4.047 -2.641 1.00 0.66 H new ATOM 0 HD13 LEU A 33 -0.179 3.677 -0.924 1.00 0.66 H new ATOM 0 HD21 LEU A 33 -2.108 1.404 -1.448 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -2.357 2.676 -0.229 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -3.613 2.354 -1.447 1.00 0.58 H new ATOM 372 N GLN A 34 -3.533 7.379 -3.656 1.00 0.48 N ATOM 373 CA GLN A 34 -3.223 8.796 -3.686 1.00 0.55 C ATOM 374 C GLN A 34 -4.503 9.639 -3.724 1.00 0.85 C ATOM 375 O GLN A 34 -5.334 9.499 -4.629 1.00 1.07 O ATOM 376 CB GLN A 34 -2.258 8.993 -4.858 1.00 0.64 C ATOM 377 CG GLN A 34 -1.849 10.437 -5.112 1.00 1.22 C ATOM 378 CD GLN A 34 -0.734 10.523 -6.129 1.00 1.13 C ATOM 379 OE1 GLN A 34 -0.934 10.701 -7.322 1.00 1.68 O ATOM 380 NE2 GLN A 34 0.488 10.369 -5.702 1.00 1.02 N ATOM 0 H GLN A 34 -3.425 6.925 -4.563 1.00 0.48 H new ATOM 0 HA GLN A 34 -2.730 9.147 -2.779 1.00 0.55 H new ATOM 0 HB2 GLN A 34 -1.360 8.403 -4.674 1.00 0.64 H new ATOM 0 HB3 GLN A 34 -2.721 8.597 -5.762 1.00 0.64 H new ATOM 0 HG2 GLN A 34 -2.710 11.004 -5.465 1.00 1.22 H new ATOM 0 HG3 GLN A 34 -1.527 10.896 -4.177 1.00 1.22 H new ATOM 0 HE21 GLN A 34 0.666 10.220 -4.709 1.00 1.02 H new ATOM 0 HE22 GLN A 34 1.266 10.398 -6.361 1.00 1.02 H new ATOM 389 N GLY A 35 -4.665 10.488 -2.706 1.00 0.97 N ATOM 390 CA GLY A 35 -5.864 11.298 -2.484 1.00 1.27 C ATOM 391 C GLY A 35 -7.041 10.555 -1.834 1.00 1.26 C ATOM 392 O GLY A 35 -8.175 11.027 -1.956 1.00 1.50 O ATOM 0 H GLY A 35 -3.948 10.634 -1.996 1.00 0.97 H new ATOM 0 HA2 GLY A 35 -5.598 12.147 -1.855 1.00 1.27 H new ATOM 0 HA3 GLY A 35 -6.193 11.702 -3.441 1.00 1.27 H new ATOM 396 N VAL A 36 -6.817 9.410 -1.173 1.00 1.05 N ATOM 397 CA VAL A 36 -7.851 8.645 -0.458 1.00 1.12 C ATOM 398 C VAL A 36 -8.008 9.194 0.961 1.00 1.07 C ATOM 399 O VAL A 36 -7.049 9.276 1.730 1.00 0.81 O ATOM 400 CB VAL A 36 -7.528 7.135 -0.455 1.00 1.05 C ATOM 401 CG1 VAL A 36 -8.530 6.316 0.372 1.00 1.28 C ATOM 402 CG2 VAL A 36 -7.555 6.579 -1.885 1.00 1.35 C ATOM 0 H VAL A 36 -5.893 8.980 -1.119 1.00 1.05 H new ATOM 0 HA VAL A 36 -8.801 8.761 -0.979 1.00 1.12 H new ATOM 0 HB VAL A 36 -6.537 7.042 -0.010 1.00 1.05 H new ATOM 0 HG11 VAL A 36 -8.254 5.262 0.339 1.00 1.28 H new ATOM 0 HG12 VAL A 36 -8.517 6.662 1.406 1.00 1.28 H new ATOM 0 HG13 VAL A 36 -9.531 6.442 -0.040 1.00 1.28 H new ATOM 0 HG21 VAL A 36 -7.325 5.514 -1.866 1.00 1.35 H new ATOM 0 HG22 VAL A 36 -8.545 6.729 -2.315 1.00 1.35 H new ATOM 0 HG23 VAL A 36 -6.814 7.099 -2.492 1.00 1.35 H new ATOM 412 N ALA A 37 -9.234 9.561 1.314 1.00 1.48 N ATOM 413 CA ALA A 37 -9.579 10.087 2.632 1.00 1.60 C ATOM 414 C ALA A 37 -9.415 9.013 3.720 1.00 1.22 C ATOM 415 O ALA A 37 -9.985 7.922 3.623 1.00 1.31 O ATOM 416 CB ALA A 37 -11.000 10.650 2.585 1.00 2.22 C ATOM 0 H ALA A 37 -10.032 9.501 0.682 1.00 1.48 H new ATOM 0 HA ALA A 37 -8.894 10.893 2.895 1.00 1.60 H new ATOM 0 HB1 ALA A 37 -11.267 11.045 3.565 1.00 2.22 H new ATOM 0 HB2 ALA A 37 -11.051 11.449 1.845 1.00 2.22 H new ATOM 0 HB3 ALA A 37 -11.696 9.857 2.311 1.00 2.22 H new ATOM 422 N GLY A 38 -8.624 9.334 4.747 1.00 0.96 N ATOM 423 CA GLY A 38 -8.195 8.410 5.804 1.00 0.64 C ATOM 424 C GLY A 38 -6.770 7.875 5.607 1.00 0.43 C ATOM 425 O GLY A 38 -6.194 7.299 6.533 1.00 0.44 O ATOM 0 H GLY A 38 -8.251 10.275 4.871 1.00 0.96 H new ATOM 0 HA2 GLY A 38 -8.254 8.918 6.766 1.00 0.64 H new ATOM 0 HA3 GLY A 38 -8.888 7.570 5.844 1.00 0.64 H new ATOM 429 N VAL A 39 -6.159 8.099 4.439 1.00 0.40 N ATOM 430 CA VAL A 39 -4.709 8.021 4.221 1.00 0.41 C ATOM 431 C VAL A 39 -4.126 9.428 4.398 1.00 0.44 C ATOM 432 O VAL A 39 -4.714 10.405 3.935 1.00 0.64 O ATOM 433 CB VAL A 39 -4.405 7.450 2.823 1.00 0.50 C ATOM 434 CG1 VAL A 39 -2.901 7.281 2.598 1.00 1.96 C ATOM 435 CG2 VAL A 39 -5.057 6.076 2.604 1.00 1.87 C ATOM 0 H VAL A 39 -6.674 8.347 3.594 1.00 0.40 H new ATOM 0 HA VAL A 39 -4.249 7.347 4.944 1.00 0.41 H new ATOM 0 HB VAL A 39 -4.817 8.173 2.119 1.00 0.50 H new ATOM 0 HG11 VAL A 39 -2.725 6.876 1.601 1.00 1.96 H new ATOM 0 HG12 VAL A 39 -2.409 8.249 2.688 1.00 1.96 H new ATOM 0 HG13 VAL A 39 -2.496 6.597 3.344 1.00 1.96 H new ATOM 0 HG21 VAL A 39 -4.815 5.714 1.605 1.00 1.87 H new ATOM 0 HG22 VAL A 39 -4.681 5.372 3.346 1.00 1.87 H new ATOM 0 HG23 VAL A 39 -6.139 6.166 2.705 1.00 1.87 H new ATOM 445 N GLN A 40 -3.002 9.542 5.105 1.00 0.39 N ATOM 446 CA GLN A 40 -2.288 10.796 5.375 1.00 0.50 C ATOM 447 C GLN A 40 -0.972 10.932 4.596 1.00 0.62 C ATOM 448 O GLN A 40 -0.576 12.037 4.213 1.00 0.94 O ATOM 449 CB GLN A 40 -2.042 10.876 6.887 1.00 0.68 C ATOM 450 CG GLN A 40 -3.337 11.265 7.616 1.00 0.89 C ATOM 451 CD GLN A 40 -3.146 11.907 8.988 1.00 1.96 C ATOM 452 OE1 GLN A 40 -2.073 11.941 9.580 1.00 3.22 O ATOM 453 NE2 GLN A 40 -4.203 12.448 9.547 1.00 2.19 N ATOM 0 H GLN A 40 -2.543 8.733 5.523 1.00 0.39 H new ATOM 0 HA GLN A 40 -2.906 11.626 5.033 1.00 0.50 H new ATOM 0 HB2 GLN A 40 -1.683 9.915 7.256 1.00 0.68 H new ATOM 0 HB3 GLN A 40 -1.263 11.609 7.098 1.00 0.68 H new ATOM 0 HG2 GLN A 40 -3.896 11.955 6.985 1.00 0.89 H new ATOM 0 HG3 GLN A 40 -3.951 10.372 7.733 1.00 0.89 H new ATOM 0 HE21 GLN A 40 -5.102 12.427 9.065 1.00 2.19 H new ATOM 0 HE22 GLN A 40 -4.126 12.890 10.463 1.00 2.19 H new ATOM 462 N ASP A 41 -0.302 9.806 4.362 1.00 0.47 N ATOM 463 CA ASP A 41 0.838 9.655 3.451 1.00 0.43 C ATOM 464 C ASP A 41 0.965 8.208 2.951 1.00 0.41 C ATOM 465 O ASP A 41 0.358 7.279 3.485 1.00 0.42 O ATOM 466 CB ASP A 41 2.154 10.075 4.134 1.00 0.40 C ATOM 467 CG ASP A 41 2.473 11.562 3.968 1.00 0.72 C ATOM 468 OD1 ASP A 41 2.568 12.039 2.812 1.00 1.79 O ATOM 469 OD2 ASP A 41 2.707 12.261 4.983 1.00 1.59 O ATOM 0 H ASP A 41 -0.548 8.930 4.823 1.00 0.47 H new ATOM 0 HA ASP A 41 0.654 10.309 2.598 1.00 0.43 H new ATOM 0 HB2 ASP A 41 2.095 9.839 5.197 1.00 0.40 H new ATOM 0 HB3 ASP A 41 2.973 9.486 3.722 1.00 0.40 H new ATOM 474 N VAL A 42 1.805 8.028 1.936 1.00 0.44 N ATOM 475 CA VAL A 42 2.210 6.750 1.333 1.00 0.47 C ATOM 476 C VAL A 42 3.659 6.793 0.844 1.00 0.51 C ATOM 477 O VAL A 42 4.193 7.876 0.576 1.00 0.55 O ATOM 478 CB VAL A 42 1.304 6.352 0.158 1.00 0.63 C ATOM 479 CG1 VAL A 42 -0.142 6.181 0.606 1.00 1.03 C ATOM 480 CG2 VAL A 42 1.310 7.312 -1.037 1.00 0.68 C ATOM 0 H VAL A 42 2.254 8.821 1.478 1.00 0.44 H new ATOM 0 HA VAL A 42 2.114 6.004 2.121 1.00 0.47 H new ATOM 0 HB VAL A 42 1.737 5.411 -0.182 1.00 0.63 H new ATOM 0 HG11 VAL A 42 -0.757 5.899 -0.249 1.00 1.03 H new ATOM 0 HG12 VAL A 42 -0.198 5.401 1.366 1.00 1.03 H new ATOM 0 HG13 VAL A 42 -0.507 7.120 1.022 1.00 1.03 H new ATOM 0 HG21 VAL A 42 0.638 6.937 -1.809 1.00 0.68 H new ATOM 0 HG22 VAL A 42 0.977 8.298 -0.713 1.00 0.68 H new ATOM 0 HG23 VAL A 42 2.320 7.385 -1.440 1.00 0.68 H new ATOM 490 N GLU A 43 4.301 5.632 0.720 1.00 0.55 N ATOM 491 CA GLU A 43 5.634 5.498 0.125 1.00 0.58 C ATOM 492 C GLU A 43 5.863 4.088 -0.450 1.00 0.52 C ATOM 493 O GLU A 43 5.762 3.107 0.281 1.00 0.55 O ATOM 494 CB GLU A 43 6.656 5.834 1.219 1.00 0.63 C ATOM 495 CG GLU A 43 8.065 6.024 0.671 1.00 0.79 C ATOM 496 CD GLU A 43 9.007 6.647 1.709 1.00 1.42 C ATOM 497 OE1 GLU A 43 8.767 6.524 2.938 1.00 2.63 O ATOM 498 OE2 GLU A 43 9.995 7.292 1.276 1.00 2.12 O ATOM 0 H GLU A 43 3.906 4.745 1.034 1.00 0.55 H new ATOM 0 HA GLU A 43 5.741 6.182 -0.717 1.00 0.58 H new ATOM 0 HB2 GLU A 43 6.345 6.743 1.733 1.00 0.63 H new ATOM 0 HB3 GLU A 43 6.664 5.035 1.960 1.00 0.63 H new ATOM 0 HG2 GLU A 43 8.463 5.060 0.353 1.00 0.79 H new ATOM 0 HG3 GLU A 43 8.027 6.661 -0.213 1.00 0.79 H new ATOM 505 N VAL A 44 6.198 3.941 -1.734 1.00 0.52 N ATOM 506 CA VAL A 44 6.482 2.631 -2.347 1.00 0.39 C ATOM 507 C VAL A 44 7.988 2.398 -2.493 1.00 0.37 C ATOM 508 O VAL A 44 8.726 3.272 -2.942 1.00 0.47 O ATOM 509 CB VAL A 44 5.693 2.458 -3.650 1.00 0.48 C ATOM 510 CG1 VAL A 44 6.098 3.396 -4.773 1.00 1.57 C ATOM 511 CG2 VAL A 44 5.808 1.034 -4.172 1.00 1.95 C ATOM 0 H VAL A 44 6.281 4.724 -2.382 1.00 0.52 H new ATOM 0 HA VAL A 44 6.133 1.844 -1.679 1.00 0.39 H new ATOM 0 HB VAL A 44 4.668 2.704 -3.371 1.00 0.48 H new ATOM 0 HG11 VAL A 44 5.484 3.198 -5.652 1.00 1.57 H new ATOM 0 HG12 VAL A 44 5.953 4.428 -4.455 1.00 1.57 H new ATOM 0 HG13 VAL A 44 7.148 3.236 -5.020 1.00 1.57 H new ATOM 0 HG21 VAL A 44 5.239 0.938 -5.097 1.00 1.95 H new ATOM 0 HG22 VAL A 44 6.855 0.800 -4.364 1.00 1.95 H new ATOM 0 HG23 VAL A 44 5.412 0.341 -3.429 1.00 1.95 H new ATOM 521 N HIS A 45 8.453 1.206 -2.117 1.00 0.33 N ATOM 522 CA HIS A 45 9.831 0.746 -2.275 1.00 0.34 C ATOM 523 C HIS A 45 9.890 -0.534 -3.115 1.00 0.33 C ATOM 524 O HIS A 45 9.866 -1.649 -2.591 1.00 0.45 O ATOM 525 CB HIS A 45 10.485 0.557 -0.898 1.00 0.53 C ATOM 526 CG HIS A 45 10.868 1.848 -0.221 1.00 0.70 C ATOM 527 ND1 HIS A 45 12.141 2.363 -0.156 1.00 0.98 N ATOM 528 CD2 HIS A 45 10.049 2.711 0.458 1.00 0.77 C ATOM 529 CE1 HIS A 45 12.102 3.506 0.542 1.00 1.21 C ATOM 530 NE2 HIS A 45 10.839 3.777 0.920 1.00 1.09 N ATOM 0 H HIS A 45 7.855 0.507 -1.676 1.00 0.33 H new ATOM 0 HA HIS A 45 10.396 1.506 -2.814 1.00 0.34 H new ATOM 0 HB2 HIS A 45 9.798 0.010 -0.253 1.00 0.53 H new ATOM 0 HB3 HIS A 45 11.376 -0.060 -1.012 1.00 0.53 H new ATOM 0 HD1 HIS A 45 12.975 1.945 -0.569 1.00 0.98 H new ATOM 0 HD2 HIS A 45 8.986 2.593 0.611 1.00 0.77 H new ATOM 0 HE1 HIS A 45 12.960 4.121 0.769 1.00 1.21 H new ATOM 538 N LEU A 46 10.004 -0.377 -4.436 1.00 0.34 N ATOM 539 CA LEU A 46 10.191 -1.481 -5.388 1.00 0.47 C ATOM 540 C LEU A 46 11.395 -2.358 -5.037 1.00 0.53 C ATOM 541 O LEU A 46 11.342 -3.581 -5.105 1.00 0.71 O ATOM 542 CB LEU A 46 10.309 -0.858 -6.772 1.00 0.59 C ATOM 543 CG LEU A 46 10.531 -1.823 -7.966 1.00 0.95 C ATOM 544 CD1 LEU A 46 10.028 -3.266 -7.847 1.00 2.11 C ATOM 545 CD2 LEU A 46 9.669 -1.284 -9.082 1.00 1.18 C ATOM 0 H LEU A 46 9.969 0.538 -4.885 1.00 0.34 H new ATOM 0 HA LEU A 46 9.339 -2.160 -5.351 1.00 0.47 H new ATOM 0 HB2 LEU A 46 9.401 -0.286 -6.964 1.00 0.59 H new ATOM 0 HB3 LEU A 46 11.135 -0.147 -6.754 1.00 0.59 H new ATOM 0 HG LEU A 46 11.614 -1.862 -8.078 1.00 0.95 H new ATOM 0 HD11 LEU A 46 10.260 -3.809 -8.763 1.00 2.11 H new ATOM 0 HD12 LEU A 46 10.516 -3.753 -7.003 1.00 2.11 H new ATOM 0 HD13 LEU A 46 8.949 -3.264 -7.690 1.00 2.11 H new ATOM 0 HD21 LEU A 46 9.775 -1.918 -9.962 1.00 1.18 H new ATOM 0 HD22 LEU A 46 8.626 -1.275 -8.765 1.00 1.18 H new ATOM 0 HD23 LEU A 46 9.982 -0.269 -9.326 1.00 1.18 H new ATOM 557 N GLU A 47 12.458 -1.743 -4.553 1.00 0.46 N ATOM 558 CA GLU A 47 13.683 -2.455 -4.149 1.00 0.58 C ATOM 559 C GLU A 47 13.544 -3.288 -2.850 1.00 0.73 C ATOM 560 O GLU A 47 14.472 -4.017 -2.494 1.00 1.05 O ATOM 561 CB GLU A 47 14.902 -1.518 -4.188 1.00 0.54 C ATOM 562 CG GLU A 47 15.121 -1.010 -5.627 1.00 0.91 C ATOM 563 CD GLU A 47 16.327 -0.074 -5.795 1.00 1.74 C ATOM 564 OE1 GLU A 47 16.902 0.431 -4.801 1.00 2.13 O ATOM 565 OE2 GLU A 47 16.741 0.122 -6.969 1.00 3.08 O ATOM 0 H GLU A 47 12.509 -0.732 -4.424 1.00 0.46 H new ATOM 0 HA GLU A 47 13.862 -3.226 -4.898 1.00 0.58 H new ATOM 0 HB2 GLU A 47 14.747 -0.675 -3.514 1.00 0.54 H new ATOM 0 HB3 GLU A 47 15.790 -2.046 -3.839 1.00 0.54 H new ATOM 0 HG2 GLU A 47 15.249 -1.868 -6.286 1.00 0.91 H new ATOM 0 HG3 GLU A 47 14.223 -0.487 -5.955 1.00 0.91 H new ATOM 572 N ASP A 48 12.376 -3.270 -2.190 1.00 0.56 N ATOM 573 CA ASP A 48 11.906 -4.327 -1.266 1.00 0.53 C ATOM 574 C ASP A 48 10.616 -5.031 -1.755 1.00 0.43 C ATOM 575 O ASP A 48 10.138 -5.959 -1.100 1.00 0.43 O ATOM 576 CB ASP A 48 11.673 -3.738 0.141 1.00 0.63 C ATOM 577 CG ASP A 48 11.797 -4.788 1.261 1.00 1.62 C ATOM 578 OD1 ASP A 48 12.901 -5.351 1.438 1.00 1.53 O ATOM 579 OD2 ASP A 48 10.816 -5.042 2.003 1.00 3.48 O ATOM 0 H ASP A 48 11.711 -2.502 -2.283 1.00 0.56 H new ATOM 0 HA ASP A 48 12.691 -5.082 -1.233 1.00 0.53 H new ATOM 0 HB2 ASP A 48 12.393 -2.939 0.318 1.00 0.63 H new ATOM 0 HB3 ASP A 48 10.681 -3.288 0.181 1.00 0.63 H new ATOM 584 N GLN A 49 10.025 -4.589 -2.875 1.00 0.39 N ATOM 585 CA GLN A 49 8.625 -4.809 -3.281 1.00 0.34 C ATOM 586 C GLN A 49 7.614 -4.413 -2.180 1.00 0.36 C ATOM 587 O GLN A 49 6.543 -5.012 -2.064 1.00 0.51 O ATOM 588 CB GLN A 49 8.410 -6.250 -3.779 1.00 0.44 C ATOM 589 CG GLN A 49 9.291 -6.725 -4.918 1.00 0.48 C ATOM 590 CD GLN A 49 8.894 -8.120 -5.407 1.00 1.89 C ATOM 591 OE1 GLN A 49 8.848 -9.085 -4.653 1.00 2.33 O ATOM 592 NE2 GLN A 49 8.550 -8.286 -6.660 1.00 3.31 N ATOM 0 H GLN A 49 10.539 -4.037 -3.562 1.00 0.39 H new ATOM 0 HA GLN A 49 8.428 -4.140 -4.119 1.00 0.34 H new ATOM 0 HB2 GLN A 49 8.555 -6.925 -2.935 1.00 0.44 H new ATOM 0 HB3 GLN A 49 7.370 -6.349 -4.091 1.00 0.44 H new ATOM 0 HG2 GLN A 49 9.226 -6.019 -5.746 1.00 0.48 H new ATOM 0 HG3 GLN A 49 10.331 -6.738 -4.591 1.00 0.48 H new ATOM 0 HE21 GLN A 49 8.580 -7.497 -7.306 1.00 3.31 H new ATOM 0 HE22 GLN A 49 8.252 -9.204 -6.990 1.00 3.31 H new ATOM 601 N MET A 50 7.962 -3.417 -1.354 1.00 0.38 N ATOM 602 CA MET A 50 7.144 -2.934 -0.238 1.00 0.37 C ATOM 603 C MET A 50 6.318 -1.686 -0.593 1.00 0.33 C ATOM 604 O MET A 50 6.719 -0.879 -1.429 1.00 0.36 O ATOM 605 CB MET A 50 8.042 -2.706 0.989 1.00 0.58 C ATOM 606 CG MET A 50 7.296 -2.133 2.202 1.00 0.72 C ATOM 607 SD MET A 50 8.095 -2.397 3.795 1.00 1.29 S ATOM 608 CE MET A 50 7.683 -4.148 4.032 1.00 1.20 C ATOM 0 H MET A 50 8.844 -2.913 -1.448 1.00 0.38 H new ATOM 0 HA MET A 50 6.407 -3.701 -0.001 1.00 0.37 H new ATOM 0 HB2 MET A 50 8.503 -3.652 1.271 1.00 0.58 H new ATOM 0 HB3 MET A 50 8.849 -2.027 0.716 1.00 0.58 H new ATOM 0 HG2 MET A 50 7.165 -1.061 2.054 1.00 0.72 H new ATOM 0 HG3 MET A 50 6.300 -2.574 2.236 1.00 0.72 H new ATOM 0 HE1 MET A 50 6.879 -4.237 4.762 1.00 1.20 H new ATOM 0 HE2 MET A 50 7.361 -4.578 3.083 1.00 1.20 H new ATOM 0 HE3 MET A 50 8.562 -4.683 4.393 1.00 1.20 H new ATOM 618 N VAL A 51 5.191 -1.483 0.094 1.00 0.36 N ATOM 619 CA VAL A 51 4.374 -0.270 0.073 1.00 0.39 C ATOM 620 C VAL A 51 4.030 0.124 1.514 1.00 0.39 C ATOM 621 O VAL A 51 3.450 -0.666 2.260 1.00 0.48 O ATOM 622 CB VAL A 51 3.075 -0.459 -0.743 1.00 0.45 C ATOM 623 CG1 VAL A 51 2.665 0.888 -1.324 1.00 0.67 C ATOM 624 CG2 VAL A 51 3.181 -1.441 -1.907 1.00 0.69 C ATOM 0 H VAL A 51 4.805 -2.198 0.711 1.00 0.36 H new ATOM 0 HA VAL A 51 4.949 0.519 -0.411 1.00 0.39 H new ATOM 0 HB VAL A 51 2.348 -0.871 -0.044 1.00 0.45 H new ATOM 0 HG11 VAL A 51 1.749 0.771 -1.903 1.00 0.67 H new ATOM 0 HG12 VAL A 51 2.494 1.597 -0.514 1.00 0.67 H new ATOM 0 HG13 VAL A 51 3.458 1.262 -1.971 1.00 0.67 H new ATOM 0 HG21 VAL A 51 2.220 -1.505 -2.417 1.00 0.69 H new ATOM 0 HG22 VAL A 51 3.941 -1.095 -2.607 1.00 0.69 H new ATOM 0 HG23 VAL A 51 3.457 -2.425 -1.529 1.00 0.69 H new ATOM 634 N LEU A 52 4.385 1.346 1.905 1.00 0.37 N ATOM 635 CA LEU A 52 3.997 1.987 3.156 1.00 0.35 C ATOM 636 C LEU A 52 2.717 2.785 2.937 1.00 0.34 C ATOM 637 O LEU A 52 2.609 3.556 1.981 1.00 0.38 O ATOM 638 CB LEU A 52 5.097 2.938 3.671 1.00 0.40 C ATOM 639 CG LEU A 52 6.430 2.290 4.106 1.00 0.44 C ATOM 640 CD1 LEU A 52 7.387 2.005 2.947 1.00 1.04 C ATOM 641 CD2 LEU A 52 7.167 3.227 5.065 1.00 0.97 C ATOM 0 H LEU A 52 4.979 1.943 1.330 1.00 0.37 H new ATOM 0 HA LEU A 52 3.842 1.206 3.900 1.00 0.35 H new ATOM 0 HB2 LEU A 52 5.312 3.665 2.887 1.00 0.40 H new ATOM 0 HB3 LEU A 52 4.696 3.493 4.519 1.00 0.40 H new ATOM 0 HG LEU A 52 6.156 1.342 4.568 1.00 0.44 H new ATOM 0 HD11 LEU A 52 8.300 1.551 3.332 1.00 1.04 H new ATOM 0 HD12 LEU A 52 6.912 1.323 2.242 1.00 1.04 H new ATOM 0 HD13 LEU A 52 7.632 2.938 2.440 1.00 1.04 H new ATOM 0 HD21 LEU A 52 8.107 2.768 5.371 1.00 0.97 H new ATOM 0 HD22 LEU A 52 7.371 4.173 4.564 1.00 0.97 H new ATOM 0 HD23 LEU A 52 6.549 3.408 5.944 1.00 0.97 H new ATOM 653 N VAL A 53 1.761 2.628 3.849 1.00 0.32 N ATOM 654 CA VAL A 53 0.501 3.370 3.844 1.00 0.29 C ATOM 655 C VAL A 53 0.245 3.893 5.256 1.00 0.27 C ATOM 656 O VAL A 53 -0.012 3.121 6.178 1.00 0.26 O ATOM 657 CB VAL A 53 -0.643 2.494 3.294 1.00 0.34 C ATOM 658 CG1 VAL A 53 -1.946 3.299 3.202 1.00 0.35 C ATOM 659 CG2 VAL A 53 -0.344 1.940 1.895 1.00 0.47 C ATOM 0 H VAL A 53 1.840 1.971 4.625 1.00 0.32 H new ATOM 0 HA VAL A 53 0.557 4.229 3.175 1.00 0.29 H new ATOM 0 HB VAL A 53 -0.742 1.663 3.993 1.00 0.34 H new ATOM 0 HG11 VAL A 53 -2.740 2.662 2.812 1.00 0.35 H new ATOM 0 HG12 VAL A 53 -2.223 3.658 4.193 1.00 0.35 H new ATOM 0 HG13 VAL A 53 -1.802 4.149 2.535 1.00 0.35 H new ATOM 0 HG21 VAL A 53 -1.183 1.331 1.558 1.00 0.47 H new ATOM 0 HG22 VAL A 53 -0.193 2.767 1.201 1.00 0.47 H new ATOM 0 HG23 VAL A 53 0.557 1.328 1.931 1.00 0.47 H new ATOM 669 N HIS A 54 0.348 5.210 5.429 1.00 0.28 N ATOM 670 CA HIS A 54 0.145 5.915 6.694 1.00 0.25 C ATOM 671 C HIS A 54 -1.356 6.252 6.827 1.00 0.30 C ATOM 672 O HIS A 54 -1.835 7.204 6.206 1.00 0.37 O ATOM 673 CB HIS A 54 1.045 7.174 6.727 1.00 0.27 C ATOM 674 CG HIS A 54 2.518 6.976 6.400 1.00 0.29 C ATOM 675 ND1 HIS A 54 3.571 7.232 7.245 1.00 0.43 N ATOM 676 CD2 HIS A 54 3.078 6.614 5.200 1.00 0.40 C ATOM 677 CE1 HIS A 54 4.721 7.028 6.582 1.00 0.59 C ATOM 678 NE2 HIS A 54 4.474 6.660 5.313 1.00 0.56 N ATOM 0 H HIS A 54 0.584 5.840 4.662 1.00 0.28 H new ATOM 0 HA HIS A 54 0.428 5.297 7.546 1.00 0.25 H new ATOM 0 HB2 HIS A 54 0.637 7.901 6.025 1.00 0.27 H new ATOM 0 HB3 HIS A 54 0.975 7.615 7.721 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.530 6.338 4.311 1.00 0.40 H new ATOM 0 HE1 HIS A 54 5.706 7.143 7.009 1.00 0.59 H new ATOM 0 HE2 HIS A 54 5.159 6.457 4.585 1.00 0.56 H new ATOM 686 N THR A 55 -2.135 5.448 7.561 1.00 0.29 N ATOM 687 CA THR A 55 -3.616 5.495 7.519 1.00 0.33 C ATOM 688 C THR A 55 -4.307 5.019 8.810 1.00 0.35 C ATOM 689 O THR A 55 -3.708 4.285 9.597 1.00 0.34 O ATOM 690 CB THR A 55 -4.112 4.651 6.329 1.00 0.33 C ATOM 691 OG1 THR A 55 -5.504 4.754 6.172 1.00 0.39 O ATOM 692 CG2 THR A 55 -3.810 3.154 6.445 1.00 0.35 C ATOM 0 H THR A 55 -1.765 4.746 8.202 1.00 0.29 H new ATOM 0 HA THR A 55 -3.886 6.545 7.407 1.00 0.33 H new ATOM 0 HB THR A 55 -3.567 5.062 5.479 1.00 0.33 H new ATOM 0 HG1 THR A 55 -5.805 5.632 6.487 1.00 0.39 H new ATOM 0 HG21 THR A 55 -4.193 2.636 5.566 1.00 0.35 H new ATOM 0 HG22 THR A 55 -2.732 3.004 6.513 1.00 0.35 H new ATOM 0 HG23 THR A 55 -4.289 2.754 7.339 1.00 0.35 H new ATOM 700 N THR A 56 -5.585 5.377 9.019 1.00 0.45 N ATOM 701 CA THR A 56 -6.447 4.782 10.072 1.00 0.56 C ATOM 702 C THR A 56 -7.196 3.518 9.624 1.00 0.51 C ATOM 703 O THR A 56 -7.730 2.788 10.465 1.00 0.71 O ATOM 704 CB THR A 56 -7.484 5.775 10.639 1.00 0.80 C ATOM 705 OG1 THR A 56 -8.480 6.070 9.684 1.00 0.91 O ATOM 706 CG2 THR A 56 -6.880 7.114 11.048 1.00 0.87 C ATOM 0 H THR A 56 -6.058 6.090 8.463 1.00 0.45 H new ATOM 0 HA THR A 56 -5.735 4.510 10.851 1.00 0.56 H new ATOM 0 HB THR A 56 -7.893 5.273 11.516 1.00 0.80 H new ATOM 0 HG1 THR A 56 -9.125 6.699 10.068 1.00 0.91 H new ATOM 0 HG21 THR A 56 -7.664 7.763 11.438 1.00 0.87 H new ATOM 0 HG22 THR A 56 -6.126 6.953 11.819 1.00 0.87 H new ATOM 0 HG23 THR A 56 -6.417 7.585 10.181 1.00 0.87 H new ATOM 714 N LEU A 57 -7.235 3.247 8.311 1.00 0.35 N ATOM 715 CA LEU A 57 -7.954 2.123 7.700 1.00 0.36 C ATOM 716 C LEU A 57 -7.416 0.765 8.188 1.00 0.48 C ATOM 717 O LEU A 57 -6.224 0.662 8.510 1.00 0.54 O ATOM 718 CB LEU A 57 -7.863 2.239 6.163 1.00 0.34 C ATOM 719 CG LEU A 57 -8.527 3.496 5.563 1.00 0.34 C ATOM 720 CD1 LEU A 57 -8.262 3.546 4.057 1.00 0.52 C ATOM 721 CD2 LEU A 57 -10.042 3.517 5.778 1.00 0.42 C ATOM 0 H LEU A 57 -6.750 3.824 7.624 1.00 0.35 H new ATOM 0 HA LEU A 57 -8.999 2.170 8.005 1.00 0.36 H new ATOM 0 HB2 LEU A 57 -6.812 2.229 5.875 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -8.324 1.356 5.719 1.00 0.34 H new ATOM 0 HG LEU A 57 -8.094 4.357 6.073 1.00 0.34 H new ATOM 0 HD11 LEU A 57 -8.731 4.434 3.634 1.00 0.52 H new ATOM 0 HD12 LEU A 57 -7.187 3.583 3.878 1.00 0.52 H new ATOM 0 HD13 LEU A 57 -8.678 2.656 3.585 1.00 0.52 H new ATOM 0 HD21 LEU A 57 -10.460 4.422 5.337 1.00 0.42 H new ATOM 0 HD22 LEU A 57 -10.489 2.643 5.304 1.00 0.42 H new ATOM 0 HD23 LEU A 57 -10.258 3.501 6.846 1.00 0.42 H new ATOM 733 N PRO A 58 -8.252 -0.292 8.231 1.00 0.52 N ATOM 734 CA PRO A 58 -7.852 -1.608 8.718 1.00 0.53 C ATOM 735 C PRO A 58 -7.054 -2.311 7.617 1.00 0.49 C ATOM 736 O PRO A 58 -7.429 -2.240 6.447 1.00 0.50 O ATOM 737 CB PRO A 58 -9.166 -2.352 9.040 1.00 0.58 C ATOM 738 CG PRO A 58 -10.273 -1.308 8.844 1.00 0.61 C ATOM 739 CD PRO A 58 -9.638 -0.399 7.800 1.00 0.57 C ATOM 0 HA PRO A 58 -7.218 -1.567 9.604 1.00 0.53 H new ATOM 0 HB2 PRO A 58 -9.308 -3.206 8.378 1.00 0.58 H new ATOM 0 HB3 PRO A 58 -9.162 -2.736 10.060 1.00 0.58 H new ATOM 0 HG2 PRO A 58 -11.202 -1.755 8.491 1.00 0.61 H new ATOM 0 HG3 PRO A 58 -10.506 -0.776 9.767 1.00 0.61 H new ATOM 0 HD2 PRO A 58 -9.714 -0.825 6.799 1.00 0.57 H new ATOM 0 HD3 PRO A 58 -10.124 0.576 7.770 1.00 0.57 H new ATOM 747 N SER A 59 -5.986 -3.040 7.938 1.00 0.48 N ATOM 748 CA SER A 59 -5.186 -3.738 6.915 1.00 0.49 C ATOM 749 C SER A 59 -5.993 -4.750 6.084 1.00 0.47 C ATOM 750 O SER A 59 -5.647 -4.966 4.925 1.00 0.52 O ATOM 751 CB SER A 59 -3.917 -4.388 7.484 1.00 0.51 C ATOM 752 OG SER A 59 -4.076 -4.855 8.816 1.00 1.00 O ATOM 0 H SER A 59 -5.650 -3.167 8.893 1.00 0.48 H new ATOM 0 HA SER A 59 -4.873 -2.947 6.233 1.00 0.49 H new ATOM 0 HB2 SER A 59 -3.627 -5.222 6.846 1.00 0.51 H new ATOM 0 HB3 SER A 59 -3.102 -3.665 7.454 1.00 0.51 H new ATOM 0 HG SER A 59 -3.238 -5.259 9.123 1.00 1.00 H new ATOM 758 N GLN A 60 -7.117 -5.267 6.596 1.00 0.47 N ATOM 759 CA GLN A 60 -8.094 -6.060 5.829 1.00 0.51 C ATOM 760 C GLN A 60 -8.730 -5.286 4.651 1.00 0.53 C ATOM 761 O GLN A 60 -9.156 -5.887 3.662 1.00 0.66 O ATOM 762 CB GLN A 60 -9.230 -6.533 6.756 1.00 0.59 C ATOM 763 CG GLN A 60 -8.809 -7.237 8.058 1.00 0.66 C ATOM 764 CD GLN A 60 -8.777 -6.311 9.256 1.00 1.20 C ATOM 765 OE1 GLN A 60 -8.006 -5.361 9.342 1.00 2.47 O ATOM 766 NE2 GLN A 60 -9.584 -6.572 10.246 1.00 1.73 N ATOM 0 H GLN A 60 -7.381 -5.145 7.574 1.00 0.47 H new ATOM 0 HA GLN A 60 -7.536 -6.900 5.415 1.00 0.51 H new ATOM 0 HB2 GLN A 60 -9.838 -5.667 7.018 1.00 0.59 H new ATOM 0 HB3 GLN A 60 -9.869 -7.213 6.192 1.00 0.59 H new ATOM 0 HG2 GLN A 60 -9.499 -8.057 8.259 1.00 0.66 H new ATOM 0 HG3 GLN A 60 -7.821 -7.678 7.922 1.00 0.66 H new ATOM 0 HE21 GLN A 60 -10.229 -7.360 10.184 1.00 1.73 H new ATOM 0 HE22 GLN A 60 -9.570 -5.988 11.082 1.00 1.73 H new ATOM 775 N GLU A 61 -8.808 -3.958 4.751 1.00 0.50 N ATOM 776 CA GLU A 61 -9.271 -3.032 3.713 1.00 0.50 C ATOM 777 C GLU A 61 -8.121 -2.604 2.794 1.00 0.45 C ATOM 778 O GLU A 61 -8.260 -2.641 1.570 1.00 0.51 O ATOM 779 CB GLU A 61 -9.928 -1.822 4.401 1.00 0.54 C ATOM 780 CG GLU A 61 -10.813 -0.990 3.472 1.00 0.95 C ATOM 781 CD GLU A 61 -11.670 0.085 4.165 1.00 1.36 C ATOM 782 OE1 GLU A 61 -11.885 0.003 5.398 1.00 2.14 O ATOM 783 OE2 GLU A 61 -12.218 0.975 3.464 1.00 2.50 O ATOM 0 H GLU A 61 -8.535 -3.472 5.605 1.00 0.50 H new ATOM 0 HA GLU A 61 -10.003 -3.529 3.077 1.00 0.50 H new ATOM 0 HB2 GLU A 61 -10.528 -2.174 5.240 1.00 0.54 H new ATOM 0 HB3 GLU A 61 -9.148 -1.182 4.814 1.00 0.54 H new ATOM 0 HG2 GLU A 61 -10.177 -0.503 2.732 1.00 0.95 H new ATOM 0 HG3 GLU A 61 -11.475 -1.664 2.929 1.00 0.95 H new ATOM 790 N VAL A 62 -6.961 -2.245 3.367 1.00 0.37 N ATOM 791 CA VAL A 62 -5.810 -1.729 2.629 1.00 0.28 C ATOM 792 C VAL A 62 -5.155 -2.822 1.788 1.00 0.32 C ATOM 793 O VAL A 62 -4.773 -2.535 0.659 1.00 0.37 O ATOM 794 CB VAL A 62 -4.762 -1.071 3.552 1.00 0.25 C ATOM 795 CG1 VAL A 62 -3.879 -0.126 2.741 1.00 0.34 C ATOM 796 CG2 VAL A 62 -5.331 -0.237 4.703 1.00 0.32 C ATOM 0 H VAL A 62 -6.800 -2.308 4.372 1.00 0.37 H new ATOM 0 HA VAL A 62 -6.195 -0.956 1.965 1.00 0.28 H new ATOM 0 HB VAL A 62 -4.222 -1.914 3.983 1.00 0.25 H new ATOM 0 HG11 VAL A 62 -3.141 0.336 3.397 1.00 0.34 H new ATOM 0 HG12 VAL A 62 -3.368 -0.687 1.959 1.00 0.34 H new ATOM 0 HG13 VAL A 62 -4.496 0.649 2.287 1.00 0.34 H new ATOM 0 HG21 VAL A 62 -4.512 0.180 5.290 1.00 0.32 H new ATOM 0 HG22 VAL A 62 -5.938 0.574 4.300 1.00 0.32 H new ATOM 0 HG23 VAL A 62 -5.948 -0.870 5.340 1.00 0.32 H new ATOM 806 N GLN A 63 -5.104 -4.078 2.260 1.00 0.36 N ATOM 807 CA GLN A 63 -4.644 -5.222 1.456 1.00 0.50 C ATOM 808 C GLN A 63 -5.376 -5.254 0.117 1.00 0.71 C ATOM 809 O GLN A 63 -4.754 -5.396 -0.928 1.00 0.81 O ATOM 810 CB GLN A 63 -4.890 -6.558 2.198 1.00 0.50 C ATOM 811 CG GLN A 63 -4.352 -7.763 1.390 1.00 0.72 C ATOM 812 CD GLN A 63 -4.771 -9.131 1.930 1.00 0.86 C ATOM 813 OE1 GLN A 63 -4.324 -9.592 2.972 1.00 1.31 O ATOM 814 NE2 GLN A 63 -5.611 -9.852 1.227 1.00 1.57 N ATOM 0 H GLN A 63 -5.380 -4.329 3.209 1.00 0.36 H new ATOM 0 HA GLN A 63 -3.574 -5.102 1.289 1.00 0.50 H new ATOM 0 HB2 GLN A 63 -4.406 -6.528 3.174 1.00 0.50 H new ATOM 0 HB3 GLN A 63 -5.958 -6.685 2.376 1.00 0.50 H new ATOM 0 HG2 GLN A 63 -4.694 -7.674 0.359 1.00 0.72 H new ATOM 0 HG3 GLN A 63 -3.263 -7.713 1.370 1.00 0.72 H new ATOM 0 HE21 GLN A 63 -5.994 -9.484 0.356 1.00 1.57 H new ATOM 0 HE22 GLN A 63 -5.882 -10.780 1.551 1.00 1.57 H new ATOM 823 N ALA A 64 -6.694 -5.080 0.132 1.00 0.77 N ATOM 824 CA ALA A 64 -7.502 -5.209 -1.061 1.00 0.92 C ATOM 825 C ALA A 64 -7.495 -3.926 -1.912 1.00 0.81 C ATOM 826 O ALA A 64 -7.659 -4.012 -3.132 1.00 0.93 O ATOM 827 CB ALA A 64 -8.895 -5.622 -0.591 1.00 1.04 C ATOM 0 H ALA A 64 -7.224 -4.847 0.972 1.00 0.77 H new ATOM 0 HA ALA A 64 -7.097 -5.965 -1.733 1.00 0.92 H new ATOM 0 HB1 ALA A 64 -9.552 -5.735 -1.454 1.00 1.04 H new ATOM 0 HB2 ALA A 64 -8.832 -6.570 -0.056 1.00 1.04 H new ATOM 0 HB3 ALA A 64 -9.297 -4.857 0.073 1.00 1.04 H new ATOM 833 N LEU A 65 -7.220 -2.765 -1.298 1.00 0.64 N ATOM 834 CA LEU A 65 -6.925 -1.518 -2.009 1.00 0.62 C ATOM 835 C LEU A 65 -5.591 -1.585 -2.773 1.00 0.66 C ATOM 836 O LEU A 65 -5.464 -1.064 -3.882 1.00 0.84 O ATOM 837 CB LEU A 65 -6.898 -0.346 -1.019 1.00 0.53 C ATOM 838 CG LEU A 65 -8.283 0.161 -0.579 1.00 0.61 C ATOM 839 CD1 LEU A 65 -8.109 1.193 0.530 1.00 0.64 C ATOM 840 CD2 LEU A 65 -9.062 0.823 -1.719 1.00 0.70 C ATOM 0 H LEU A 65 -7.197 -2.668 -0.283 1.00 0.64 H new ATOM 0 HA LEU A 65 -7.716 -1.367 -2.743 1.00 0.62 H new ATOM 0 HB2 LEU A 65 -6.340 -0.650 -0.133 1.00 0.53 H new ATOM 0 HB3 LEU A 65 -6.351 0.481 -1.472 1.00 0.53 H new ATOM 0 HG LEU A 65 -8.847 -0.709 -0.241 1.00 0.61 H new ATOM 0 HD11 LEU A 65 -9.087 1.556 0.846 1.00 0.64 H new ATOM 0 HD12 LEU A 65 -7.601 0.734 1.378 1.00 0.64 H new ATOM 0 HD13 LEU A 65 -7.514 2.028 0.160 1.00 0.64 H new ATOM 0 HD21 LEU A 65 -10.030 1.161 -1.350 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -8.499 1.677 -2.096 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -9.211 0.103 -2.524 1.00 0.70 H new ATOM 852 N LEU A 66 -4.600 -2.238 -2.166 1.00 0.58 N ATOM 853 CA LEU A 66 -3.280 -2.522 -2.727 1.00 0.71 C ATOM 854 C LEU A 66 -3.325 -3.628 -3.790 1.00 0.92 C ATOM 855 O LEU A 66 -2.647 -3.512 -4.805 1.00 1.15 O ATOM 856 CB LEU A 66 -2.336 -2.922 -1.576 1.00 0.69 C ATOM 857 CG LEU A 66 -1.918 -1.751 -0.669 1.00 0.62 C ATOM 858 CD1 LEU A 66 -1.484 -2.268 0.700 1.00 0.59 C ATOM 859 CD2 LEU A 66 -0.739 -0.992 -1.277 1.00 0.71 C ATOM 0 H LEU A 66 -4.703 -2.602 -1.219 1.00 0.58 H new ATOM 0 HA LEU A 66 -2.915 -1.625 -3.227 1.00 0.71 H new ATOM 0 HB2 LEU A 66 -2.825 -3.682 -0.967 1.00 0.69 H new ATOM 0 HB3 LEU A 66 -1.440 -3.379 -1.997 1.00 0.69 H new ATOM 0 HG LEU A 66 -2.779 -1.089 -0.570 1.00 0.62 H new ATOM 0 HD11 LEU A 66 -1.191 -1.428 1.330 1.00 0.59 H new ATOM 0 HD12 LEU A 66 -2.312 -2.801 1.167 1.00 0.59 H new ATOM 0 HD13 LEU A 66 -0.638 -2.945 0.582 1.00 0.59 H new ATOM 0 HD21 LEU A 66 -0.459 -0.168 -0.620 1.00 0.71 H new ATOM 0 HD22 LEU A 66 0.108 -1.668 -1.393 1.00 0.71 H new ATOM 0 HD23 LEU A 66 -1.024 -0.598 -2.252 1.00 0.71 H new ATOM 871 N GLU A 67 -4.088 -4.706 -3.584 1.00 0.94 N ATOM 872 CA GLU A 67 -4.084 -5.876 -4.480 1.00 1.34 C ATOM 873 C GLU A 67 -5.093 -5.781 -5.634 1.00 1.15 C ATOM 874 O GLU A 67 -4.799 -6.228 -6.744 1.00 1.35 O ATOM 875 CB GLU A 67 -4.118 -7.171 -3.652 1.00 2.08 C ATOM 876 CG GLU A 67 -5.400 -7.953 -3.448 1.00 0.86 C ATOM 877 CD GLU A 67 -5.187 -9.103 -2.442 1.00 1.14 C ATOM 878 OE1 GLU A 67 -4.205 -9.877 -2.578 1.00 2.29 O ATOM 879 OE2 GLU A 67 -6.015 -9.253 -1.509 1.00 1.97 O ATOM 0 H GLU A 67 -4.726 -4.796 -2.794 1.00 0.94 H new ATOM 0 HA GLU A 67 -3.141 -5.895 -5.027 1.00 1.34 H new ATOM 0 HB2 GLU A 67 -3.400 -7.854 -4.105 1.00 2.08 H new ATOM 0 HB3 GLU A 67 -3.739 -6.922 -2.661 1.00 2.08 H new ATOM 0 HG2 GLU A 67 -6.183 -7.287 -3.086 1.00 0.86 H new ATOM 0 HG3 GLU A 67 -5.741 -8.357 -4.402 1.00 0.86 H new ATOM 886 N GLY A 68 -6.196 -5.042 -5.447 1.00 0.95 N ATOM 887 CA GLY A 68 -7.143 -4.659 -6.510 1.00 1.06 C ATOM 888 C GLY A 68 -6.528 -3.817 -7.643 1.00 0.77 C ATOM 889 O GLY A 68 -7.182 -3.547 -8.649 1.00 0.96 O ATOM 0 H GLY A 68 -6.463 -4.684 -4.530 1.00 0.95 H new ATOM 0 HA2 GLY A 68 -7.572 -5.564 -6.940 1.00 1.06 H new ATOM 0 HA3 GLY A 68 -7.964 -4.098 -6.063 1.00 1.06 H new ATOM 893 N THR A 69 -5.247 -3.469 -7.516 1.00 0.47 N ATOM 894 CA THR A 69 -4.379 -2.871 -8.546 1.00 0.42 C ATOM 895 C THR A 69 -3.962 -3.887 -9.629 1.00 0.54 C ATOM 896 O THR A 69 -3.259 -3.528 -10.570 1.00 0.71 O ATOM 897 CB THR A 69 -3.167 -2.190 -7.882 1.00 0.43 C ATOM 898 OG1 THR A 69 -2.274 -3.140 -7.343 1.00 0.73 O ATOM 899 CG2 THR A 69 -3.666 -1.242 -6.790 1.00 0.65 C ATOM 0 H THR A 69 -4.750 -3.604 -6.635 1.00 0.47 H new ATOM 0 HA THR A 69 -4.953 -2.107 -9.071 1.00 0.42 H new ATOM 0 HB THR A 69 -2.621 -1.626 -8.638 1.00 0.43 H new ATOM 0 HG1 THR A 69 -2.244 -3.045 -6.368 1.00 0.73 H new ATOM 0 HG21 THR A 69 -2.815 -0.755 -6.314 1.00 0.65 H new ATOM 0 HG22 THR A 69 -4.315 -0.487 -7.233 1.00 0.65 H new ATOM 0 HG23 THR A 69 -4.224 -1.808 -6.044 1.00 0.65 H new ATOM 907 N GLY A 70 -4.404 -5.152 -9.515 1.00 0.61 N ATOM 908 CA GLY A 70 -4.217 -6.227 -10.506 1.00 0.74 C ATOM 909 C GLY A 70 -3.094 -7.217 -10.179 1.00 0.73 C ATOM 910 O GLY A 70 -2.452 -7.747 -11.090 1.00 0.97 O ATOM 0 H GLY A 70 -4.923 -5.467 -8.695 1.00 0.61 H new ATOM 0 HA2 GLY A 70 -5.152 -6.779 -10.602 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -4.012 -5.775 -11.477 1.00 0.74 H new ATOM 914 N ARG A 71 -2.795 -7.406 -8.886 1.00 0.58 N ATOM 915 CA ARG A 71 -1.734 -8.275 -8.346 1.00 0.60 C ATOM 916 C ARG A 71 -2.116 -8.847 -6.969 1.00 0.65 C ATOM 917 O ARG A 71 -3.285 -8.811 -6.589 1.00 1.20 O ATOM 918 CB ARG A 71 -0.428 -7.460 -8.344 1.00 0.78 C ATOM 919 CG ARG A 71 -0.532 -6.149 -7.538 1.00 1.04 C ATOM 920 CD ARG A 71 0.747 -5.315 -7.636 1.00 1.02 C ATOM 921 NE ARG A 71 1.148 -5.046 -9.032 1.00 1.22 N ATOM 922 CZ ARG A 71 0.535 -4.261 -9.898 1.00 1.16 C ATOM 923 NH1 ARG A 71 -0.492 -3.532 -9.593 1.00 2.83 N ATOM 924 NH2 ARG A 71 0.929 -4.185 -11.128 1.00 1.09 N ATOM 0 H ARG A 71 -3.314 -6.932 -8.147 1.00 0.58 H new ATOM 0 HA ARG A 71 -1.593 -9.157 -8.971 1.00 0.60 H new ATOM 0 HB2 ARG A 71 0.374 -8.071 -7.930 1.00 0.78 H new ATOM 0 HB3 ARG A 71 -0.152 -7.226 -9.372 1.00 0.78 H new ATOM 0 HG2 ARG A 71 -1.376 -5.564 -7.904 1.00 1.04 H new ATOM 0 HG3 ARG A 71 -0.735 -6.381 -6.492 1.00 1.04 H new ATOM 0 HD2 ARG A 71 0.599 -4.368 -7.116 1.00 1.02 H new ATOM 0 HD3 ARG A 71 1.556 -5.837 -7.124 1.00 1.02 H new ATOM 0 HE ARG A 71 1.990 -5.518 -9.362 1.00 1.22 H new ATOM 0 HH11 ARG A 71 -0.865 -3.548 -8.644 1.00 2.83 H new ATOM 0 HH12 ARG A 71 -0.928 -2.943 -10.302 1.00 2.83 H new ATOM 0 HH21 ARG A 71 1.726 -4.738 -11.443 1.00 1.09 H new ATOM 0 HH22 ARG A 71 0.442 -3.573 -11.783 1.00 1.09 H new ATOM 938 N GLN A 72 -1.127 -9.319 -6.202 1.00 0.31 N ATOM 939 CA GLN A 72 -1.264 -9.655 -4.779 1.00 0.41 C ATOM 940 C GLN A 72 -0.657 -8.585 -3.852 1.00 0.38 C ATOM 941 O GLN A 72 0.331 -7.935 -4.201 1.00 0.32 O ATOM 942 CB GLN A 72 -0.656 -11.040 -4.506 1.00 0.56 C ATOM 943 CG GLN A 72 -1.033 -11.534 -3.101 1.00 1.44 C ATOM 944 CD GLN A 72 -0.632 -12.958 -2.765 1.00 1.94 C ATOM 945 OE1 GLN A 72 0.156 -13.605 -3.445 1.00 2.79 O ATOM 946 NE2 GLN A 72 -1.171 -13.472 -1.683 1.00 2.66 N ATOM 0 H GLN A 72 -0.186 -9.482 -6.561 1.00 0.31 H new ATOM 0 HA GLN A 72 -2.329 -9.682 -4.550 1.00 0.41 H new ATOM 0 HB2 GLN A 72 -1.009 -11.751 -5.253 1.00 0.56 H new ATOM 0 HB3 GLN A 72 0.429 -10.991 -4.600 1.00 0.56 H new ATOM 0 HG2 GLN A 72 -0.577 -10.867 -2.369 1.00 1.44 H new ATOM 0 HG3 GLN A 72 -2.113 -11.445 -2.984 1.00 1.44 H new ATOM 0 HE21 GLN A 72 -1.825 -12.920 -1.128 1.00 2.66 H new ATOM 0 HE22 GLN A 72 -0.935 -14.423 -1.398 1.00 2.66 H new ATOM 955 N ALA A 73 -1.233 -8.481 -2.651 1.00 0.50 N ATOM 956 CA ALA A 73 -0.733 -7.760 -1.468 1.00 0.38 C ATOM 957 C ALA A 73 -0.736 -8.673 -0.224 1.00 0.37 C ATOM 958 O ALA A 73 -1.694 -9.412 0.001 1.00 0.45 O ATOM 959 CB ALA A 73 -1.640 -6.556 -1.230 1.00 0.45 C ATOM 0 H ALA A 73 -2.129 -8.931 -2.462 1.00 0.50 H new ATOM 0 HA ALA A 73 0.294 -7.439 -1.642 1.00 0.38 H new ATOM 0 HB1 ALA A 73 -1.291 -6.004 -0.357 1.00 0.45 H new ATOM 0 HB2 ALA A 73 -1.618 -5.905 -2.104 1.00 0.45 H new ATOM 0 HB3 ALA A 73 -2.661 -6.898 -1.058 1.00 0.45 H new ATOM 965 N VAL A 74 0.303 -8.597 0.609 1.00 0.38 N ATOM 966 CA VAL A 74 0.452 -9.324 1.883 1.00 0.43 C ATOM 967 C VAL A 74 1.120 -8.410 2.898 1.00 0.40 C ATOM 968 O VAL A 74 2.207 -7.894 2.661 1.00 0.36 O ATOM 969 CB VAL A 74 1.319 -10.586 1.706 1.00 0.48 C ATOM 970 CG1 VAL A 74 1.759 -11.222 3.036 1.00 0.55 C ATOM 971 CG2 VAL A 74 0.580 -11.652 0.894 1.00 0.55 C ATOM 0 H VAL A 74 1.105 -8.000 0.409 1.00 0.38 H new ATOM 0 HA VAL A 74 -0.538 -9.627 2.225 1.00 0.43 H new ATOM 0 HB VAL A 74 2.210 -10.244 1.179 1.00 0.48 H new ATOM 0 HG11 VAL A 74 2.365 -12.105 2.834 1.00 0.55 H new ATOM 0 HG12 VAL A 74 2.345 -10.502 3.607 1.00 0.55 H new ATOM 0 HG13 VAL A 74 0.879 -11.510 3.610 1.00 0.55 H new ATOM 0 HG21 VAL A 74 1.215 -12.531 0.785 1.00 0.55 H new ATOM 0 HG22 VAL A 74 -0.339 -11.930 1.410 1.00 0.55 H new ATOM 0 HG23 VAL A 74 0.337 -11.255 -0.092 1.00 0.55 H new ATOM 981 N LEU A 75 0.502 -8.211 4.051 1.00 0.43 N ATOM 982 CA LEU A 75 1.062 -7.374 5.104 1.00 0.40 C ATOM 983 C LEU A 75 2.219 -8.056 5.828 1.00 0.41 C ATOM 984 O LEU A 75 2.148 -9.238 6.167 1.00 0.49 O ATOM 985 CB LEU A 75 -0.042 -6.940 6.042 1.00 0.44 C ATOM 986 CG LEU A 75 0.394 -5.868 7.059 1.00 0.47 C ATOM 987 CD1 LEU A 75 1.229 -4.711 6.518 1.00 1.23 C ATOM 988 CD2 LEU A 75 -0.855 -5.139 7.420 1.00 0.85 C ATOM 0 H LEU A 75 -0.401 -8.624 4.285 1.00 0.43 H new ATOM 0 HA LEU A 75 1.495 -6.482 4.652 1.00 0.40 H new ATOM 0 HB2 LEU A 75 -0.875 -6.553 5.454 1.00 0.44 H new ATOM 0 HB3 LEU A 75 -0.411 -7.812 6.582 1.00 0.44 H new ATOM 0 HG LEU A 75 0.958 -6.410 7.818 1.00 0.47 H new ATOM 0 HD11 LEU A 75 1.471 -4.026 7.331 1.00 1.23 H new ATOM 0 HD12 LEU A 75 2.150 -5.099 6.084 1.00 1.23 H new ATOM 0 HD13 LEU A 75 0.663 -4.180 5.753 1.00 1.23 H new ATOM 0 HD21 LEU A 75 -0.624 -4.357 8.143 1.00 0.85 H new ATOM 0 HD22 LEU A 75 -1.286 -4.690 6.525 1.00 0.85 H new ATOM 0 HD23 LEU A 75 -1.570 -5.836 7.856 1.00 0.85 H new ATOM 1000 N LYS A 76 3.258 -7.270 6.109 1.00 0.35 N ATOM 1001 CA LYS A 76 4.465 -7.719 6.819 1.00 0.34 C ATOM 1002 C LYS A 76 4.477 -7.272 8.282 1.00 0.35 C ATOM 1003 O LYS A 76 4.882 -8.047 9.150 1.00 0.42 O ATOM 1004 CB LYS A 76 5.723 -7.271 6.056 1.00 0.36 C ATOM 1005 CG LYS A 76 5.805 -7.767 4.598 1.00 0.45 C ATOM 1006 CD LYS A 76 5.887 -9.292 4.432 1.00 0.55 C ATOM 1007 CE LYS A 76 7.162 -9.893 5.040 1.00 1.18 C ATOM 1008 NZ LYS A 76 7.210 -11.357 4.821 1.00 1.35 N ATOM 0 H LYS A 76 3.289 -6.285 5.847 1.00 0.35 H new ATOM 0 HA LYS A 76 4.459 -8.809 6.847 1.00 0.34 H new ATOM 0 HB2 LYS A 76 5.763 -6.182 6.057 1.00 0.36 H new ATOM 0 HB3 LYS A 76 6.603 -7.623 6.595 1.00 0.36 H new ATOM 0 HG2 LYS A 76 4.930 -7.405 4.058 1.00 0.45 H new ATOM 0 HG3 LYS A 76 6.679 -7.318 4.127 1.00 0.45 H new ATOM 0 HD2 LYS A 76 5.016 -9.750 4.901 1.00 0.55 H new ATOM 0 HD3 LYS A 76 5.845 -9.539 3.371 1.00 0.55 H new ATOM 0 HE2 LYS A 76 8.039 -9.425 4.593 1.00 1.18 H new ATOM 0 HE3 LYS A 76 7.196 -9.679 6.108 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 8.080 -11.742 5.240 1.00 1.35 H new ATOM 0 HZ2 LYS A 76 6.384 -11.802 5.269 1.00 1.35 H new ATOM 0 HZ3 LYS A 76 7.200 -11.556 3.800 1.00 1.35 H new ATOM 1022 N GLY A 77 3.964 -6.072 8.551 1.00 0.34 N ATOM 1023 CA GLY A 77 3.655 -5.536 9.876 1.00 0.37 C ATOM 1024 C GLY A 77 3.449 -4.021 9.829 1.00 0.43 C ATOM 1025 O GLY A 77 3.002 -3.485 8.815 1.00 0.42 O ATOM 0 H GLY A 77 3.740 -5.410 7.808 1.00 0.34 H new ATOM 0 HA2 GLY A 77 2.756 -6.015 10.264 1.00 0.37 H new ATOM 0 HA3 GLY A 77 4.466 -5.774 10.565 1.00 0.37 H new ATOM 1029 N MET A 78 3.767 -3.326 10.917 1.00 0.77 N ATOM 1030 CA MET A 78 3.631 -1.885 11.062 1.00 0.89 C ATOM 1031 C MET A 78 4.992 -1.193 11.221 1.00 1.01 C ATOM 1032 O MET A 78 5.959 -1.790 11.693 1.00 1.33 O ATOM 1033 CB MET A 78 2.719 -1.588 12.257 1.00 1.01 C ATOM 1034 CG MET A 78 1.258 -1.965 11.981 1.00 1.00 C ATOM 1035 SD MET A 78 0.822 -3.694 12.321 1.00 1.23 S ATOM 1036 CE MET A 78 -0.814 -3.729 11.543 1.00 1.15 C ATOM 0 H MET A 78 4.142 -3.772 11.754 1.00 0.77 H new ATOM 0 HA MET A 78 3.184 -1.483 10.152 1.00 0.89 H new ATOM 0 HB2 MET A 78 3.075 -2.137 13.129 1.00 1.01 H new ATOM 0 HB3 MET A 78 2.778 -0.528 12.502 1.00 1.01 H new ATOM 0 HG2 MET A 78 0.615 -1.321 12.581 1.00 1.00 H new ATOM 0 HG3 MET A 78 1.037 -1.751 10.935 1.00 1.00 H new ATOM 0 HE1 MET A 78 -1.247 -4.724 11.651 1.00 1.15 H new ATOM 0 HE2 MET A 78 -1.462 -2.997 12.025 1.00 1.15 H new ATOM 0 HE3 MET A 78 -0.719 -3.488 10.484 1.00 1.15 H new ATOM 1046 N GLY A 79 5.058 0.087 10.856 1.00 0.93 N ATOM 1047 CA GLY A 79 6.245 0.934 11.017 1.00 1.07 C ATOM 1048 C GLY A 79 6.444 1.461 12.443 1.00 1.54 C ATOM 1049 O GLY A 79 5.489 1.564 13.221 1.00 2.40 O ATOM 0 H GLY A 79 4.271 0.577 10.430 1.00 0.93 H new ATOM 0 HA2 GLY A 79 7.127 0.365 10.724 1.00 1.07 H new ATOM 0 HA3 GLY A 79 6.170 1.781 10.334 1.00 1.07 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.641 -4.020 -13.825 1.00 1.42 CU