USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 500 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 107 HIS : no HD1:sc= -1.48 K(o=-3.8,f=-5.1!) USER MOD Set 1.2: A 111 ASN : amide:sc= -2.32 K(o=-3.8,f=-2.1!) USER MOD Single : A 81 SER OG : rot 40:sc= 0.0166 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.791 K(o=-0.79,f=-2) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 109 MET CE :methyl -161:sc= -0.049 (180deg=-1.03) USER MOD Single : A 110 THR OG1 : rot 102:sc= 0.765 USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -0.0233 (180deg=-0.452) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 124 MET CE :methyl 155:sc= -0.155 (180deg=-2.19!) USER MOD Single : A 135 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.2) USER MOD Single : A 137 ASN : amide:sc= -1.57! C(o=-1.6!,f=-10!) USER MOD Single : A 138 TYR OH : rot 125:sc= 0.444 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= -0.024 (180deg=-0.024) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -18.333 -4.779 -2.294 1.00 0.00 N ATOM 16 CA SER A 81 -16.973 -5.136 -2.682 1.00 0.00 C ATOM 17 C SER A 81 -16.016 -3.990 -2.372 1.00 0.00 C ATOM 18 O SER A 81 -14.917 -4.197 -1.846 1.00 0.00 O ATOM 19 CB SER A 81 -16.920 -5.444 -4.177 1.00 0.00 C ATOM 20 OG SER A 81 -17.626 -6.653 -4.432 1.00 0.00 O ATOM 0 HA SER A 81 -16.673 -6.018 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.361 -4.625 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.885 -5.538 -4.505 1.00 0.00 H new ATOM 0 HG SER A 81 -18.433 -6.684 -3.877 1.00 0.00 H new ATOM 26 N GLU A 82 -16.442 -2.779 -2.703 1.00 0.00 N ATOM 27 CA GLU A 82 -15.627 -1.594 -2.472 1.00 0.00 C ATOM 28 C GLU A 82 -15.350 -1.410 -0.980 1.00 0.00 C ATOM 29 O GLU A 82 -14.270 -0.959 -0.594 1.00 0.00 O ATOM 30 CB GLU A 82 -16.357 -0.365 -3.036 1.00 0.00 C ATOM 31 CG GLU A 82 -15.381 0.802 -3.244 1.00 0.00 C ATOM 32 CD GLU A 82 -15.054 1.459 -1.907 1.00 0.00 C ATOM 33 OE1 GLU A 82 -15.885 1.391 -1.018 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.979 2.023 -1.794 1.00 0.00 O ATOM 0 H GLU A 82 -17.348 -2.591 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.669 -1.714 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.831 -0.621 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.151 -0.063 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.466 0.441 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.819 1.536 -3.921 1.00 0.00 H new ATOM 41 N GLU A 83 -16.322 -1.765 -0.142 1.00 0.00 N ATOM 42 CA GLU A 83 -16.157 -1.633 1.302 1.00 0.00 C ATOM 43 C GLU A 83 -15.014 -2.519 1.790 1.00 0.00 C ATOM 44 O GLU A 83 -14.213 -2.116 2.638 1.00 0.00 O ATOM 45 CB GLU A 83 -17.458 -2.033 2.007 1.00 0.00 C ATOM 46 CG GLU A 83 -17.371 -1.690 3.497 1.00 0.00 C ATOM 47 CD GLU A 83 -17.406 -0.179 3.690 1.00 0.00 C ATOM 48 OE1 GLU A 83 -17.641 0.519 2.717 1.00 0.00 O ATOM 49 OE2 GLU A 83 -17.202 0.260 4.810 1.00 0.00 O ATOM 0 H GLU A 83 -17.223 -2.143 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.920 -0.595 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.302 -1.513 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.637 -3.101 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.200 -2.152 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.452 -2.097 3.919 1.00 0.00 H new ATOM 56 N GLU A 84 -14.934 -3.722 1.236 1.00 0.00 N ATOM 57 CA GLU A 84 -13.876 -4.661 1.619 1.00 0.00 C ATOM 58 C GLU A 84 -12.529 -4.128 1.174 1.00 0.00 C ATOM 59 O GLU A 84 -11.523 -4.286 1.865 1.00 0.00 O ATOM 60 CB GLU A 84 -14.140 -6.043 0.992 1.00 0.00 C ATOM 61 CG GLU A 84 -15.638 -6.192 0.752 1.00 0.00 C ATOM 62 CD GLU A 84 -16.000 -7.654 0.511 1.00 0.00 C ATOM 63 OE1 GLU A 84 -15.579 -8.190 -0.500 1.00 0.00 O ATOM 64 OE2 GLU A 84 -16.699 -8.216 1.340 1.00 0.00 O ATOM 0 H GLU A 84 -15.579 -4.072 0.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.871 -4.768 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.595 -6.142 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.783 -6.833 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.189 -5.812 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.936 -5.592 -0.108 1.00 0.00 H new ATOM 71 N LEU A 85 -12.511 -3.494 0.015 1.00 0.00 N ATOM 72 CA LEU A 85 -11.265 -2.942 -0.501 1.00 0.00 C ATOM 73 C LEU A 85 -10.711 -1.916 0.480 1.00 0.00 C ATOM 74 O LEU A 85 -9.519 -1.910 0.784 1.00 0.00 O ATOM 75 CB LEU A 85 -11.508 -2.280 -1.861 1.00 0.00 C ATOM 76 CG LEU A 85 -10.221 -1.638 -2.388 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.087 -2.675 -2.444 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.474 -1.091 -3.799 1.00 0.00 C ATOM 0 H LEU A 85 -13.327 -3.349 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.543 -3.749 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.868 -3.022 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.287 -1.523 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.928 -0.830 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.180 -2.202 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.903 -3.068 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.373 -3.491 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.562 -0.632 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.773 -1.907 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.268 -0.345 -3.763 1.00 0.00 H new ATOM 90 N LYS A 86 -11.591 -1.059 0.976 1.00 0.00 N ATOM 91 CA LYS A 86 -11.186 -0.035 1.935 1.00 0.00 C ATOM 92 C LYS A 86 -10.718 -0.676 3.239 1.00 0.00 C ATOM 93 O LYS A 86 -9.818 -0.159 3.900 1.00 0.00 O ATOM 94 CB LYS A 86 -12.333 0.936 2.197 1.00 0.00 C ATOM 95 CG LYS A 86 -12.684 1.655 0.892 1.00 0.00 C ATOM 96 CD LYS A 86 -13.562 2.872 1.187 1.00 0.00 C ATOM 97 CE LYS A 86 -14.889 2.420 1.792 1.00 0.00 C ATOM 98 NZ LYS A 86 -15.866 3.544 1.747 1.00 0.00 N ATOM 0 H LYS A 86 -12.582 -1.049 0.735 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.353 0.524 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.202 0.399 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.047 1.659 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.773 1.968 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.206 0.973 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.049 3.544 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.742 3.432 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.279 1.564 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.739 2.096 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.770 3.235 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.494 4.349 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.017 3.833 0.760 1.00 0.00 H new ATOM 112 N GLU A 87 -11.294 -1.825 3.586 1.00 0.00 N ATOM 113 CA GLU A 87 -10.853 -2.518 4.794 1.00 0.00 C ATOM 114 C GLU A 87 -9.402 -2.938 4.601 1.00 0.00 C ATOM 115 O GLU A 87 -8.561 -2.748 5.479 1.00 0.00 O ATOM 116 CB GLU A 87 -11.721 -3.746 5.085 1.00 0.00 C ATOM 117 CG GLU A 87 -13.103 -3.296 5.558 1.00 0.00 C ATOM 118 CD GLU A 87 -13.997 -4.509 5.786 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.528 -5.614 5.572 1.00 0.00 O ATOM 120 OE2 GLU A 87 -15.138 -4.314 6.172 1.00 0.00 O ATOM 0 H GLU A 87 -12.043 -2.284 3.067 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.947 -1.845 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.814 -4.359 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.248 -4.366 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.012 -2.723 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.553 -2.636 4.816 1.00 0.00 H new ATOM 127 N ALA A 88 -9.121 -3.487 3.423 1.00 0.00 N ATOM 128 CA ALA A 88 -7.769 -3.912 3.090 1.00 0.00 C ATOM 129 C ALA A 88 -6.835 -2.710 3.164 1.00 0.00 C ATOM 130 O ALA A 88 -5.723 -2.800 3.678 1.00 0.00 O ATOM 131 CB ALA A 88 -7.738 -4.503 1.680 1.00 0.00 C ATOM 0 H ALA A 88 -9.809 -3.647 2.687 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.444 -4.674 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.723 -4.818 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.406 -5.363 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.063 -3.750 0.963 1.00 0.00 H new ATOM 137 N PHE A 89 -7.305 -1.578 2.658 1.00 0.00 N ATOM 138 CA PHE A 89 -6.518 -0.352 2.683 1.00 0.00 C ATOM 139 C PHE A 89 -6.189 0.037 4.123 1.00 0.00 C ATOM 140 O PHE A 89 -5.046 0.365 4.445 1.00 0.00 O ATOM 141 CB PHE A 89 -7.300 0.754 1.992 1.00 0.00 C ATOM 142 CG PHE A 89 -6.576 2.062 2.148 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.438 2.322 1.381 1.00 0.00 C ATOM 144 CD2 PHE A 89 -7.045 3.010 3.057 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.767 3.539 1.523 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.373 4.225 3.203 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.235 4.489 2.434 1.00 0.00 C ATOM 0 H PHE A 89 -8.224 -1.483 2.226 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.578 -0.510 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.423 0.519 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.300 0.828 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.078 1.584 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.926 2.805 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.888 3.745 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.731 4.960 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.717 5.430 2.545 1.00 0.00 H new ATOM 157 N ARG A 90 -7.198 -0.017 4.986 1.00 0.00 N ATOM 158 CA ARG A 90 -7.023 0.310 6.386 1.00 0.00 C ATOM 159 C ARG A 90 -6.012 -0.634 7.034 1.00 0.00 C ATOM 160 O ARG A 90 -5.245 -0.233 7.908 1.00 0.00 O ATOM 161 CB ARG A 90 -8.366 0.200 7.086 1.00 0.00 C ATOM 162 CG ARG A 90 -9.263 1.373 6.681 1.00 0.00 C ATOM 163 CD ARG A 90 -10.644 1.179 7.304 1.00 0.00 C ATOM 164 NE ARG A 90 -10.534 1.141 8.759 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.625 2.247 9.496 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.736 2.932 9.512 1.00 0.00 N ATOM 167 NH2 ARG A 90 -9.604 2.646 10.206 1.00 0.00 N ATOM 0 H ARG A 90 -8.149 -0.286 4.733 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.642 1.327 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.846 -0.743 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.223 0.196 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.827 2.314 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.344 1.428 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.306 1.991 7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.089 0.253 6.940 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.384 0.245 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.535 2.621 8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.805 3.779 10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.736 2.111 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.675 3.493 10.770 1.00 0.00 H new ATOM 181 N VAL A 91 -6.001 -1.883 6.574 1.00 0.00 N ATOM 182 CA VAL A 91 -5.056 -2.871 7.090 1.00 0.00 C ATOM 183 C VAL A 91 -3.628 -2.497 6.684 1.00 0.00 C ATOM 184 O VAL A 91 -2.702 -2.554 7.493 1.00 0.00 O ATOM 185 CB VAL A 91 -5.395 -4.265 6.534 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.280 -5.258 6.886 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.726 -4.752 7.124 1.00 0.00 C ATOM 0 H VAL A 91 -6.630 -2.233 5.851 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.129 -2.887 8.177 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.484 -4.200 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.530 -6.242 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.340 -4.919 6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.177 -5.320 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.961 -5.739 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.644 -4.808 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.520 -4.055 6.855 1.00 0.00 H new ATOM 197 N PHE A 92 -3.471 -2.128 5.415 1.00 0.00 N ATOM 198 CA PHE A 92 -2.165 -1.759 4.866 1.00 0.00 C ATOM 199 C PHE A 92 -1.587 -0.515 5.538 1.00 0.00 C ATOM 200 O PHE A 92 -0.387 -0.442 5.793 1.00 0.00 O ATOM 201 CB PHE A 92 -2.294 -1.480 3.360 1.00 0.00 C ATOM 202 CG PHE A 92 -2.407 -2.773 2.577 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.345 -3.683 2.574 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.566 -3.054 1.844 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.446 -4.871 1.840 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.668 -4.234 1.113 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.609 -5.148 1.110 1.00 0.00 C ATOM 0 H PHE A 92 -4.236 -2.076 4.743 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.492 -2.596 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.172 -0.860 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.427 -0.916 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.448 -3.470 3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.386 -2.351 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.627 -5.574 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.564 -4.444 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.688 -6.066 0.546 1.00 0.00 H new ATOM 217 N ASP A 93 -2.437 0.472 5.788 1.00 0.00 N ATOM 218 CA ASP A 93 -1.990 1.733 6.392 1.00 0.00 C ATOM 219 C ASP A 93 -2.026 1.670 7.912 1.00 0.00 C ATOM 220 O ASP A 93 -2.972 2.147 8.540 1.00 0.00 O ATOM 221 CB ASP A 93 -2.890 2.876 5.911 1.00 0.00 C ATOM 222 CG ASP A 93 -2.228 4.227 6.180 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.016 4.262 6.309 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.948 5.212 6.246 1.00 0.00 O ATOM 0 H ASP A 93 -3.436 0.431 5.585 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.959 1.907 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.088 2.767 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.853 2.828 6.420 1.00 0.00 H new ATOM 229 N LYS A 94 -0.995 1.079 8.497 1.00 0.00 N ATOM 230 CA LYS A 94 -0.926 0.958 9.932 1.00 0.00 C ATOM 231 C LYS A 94 -0.822 2.348 10.569 1.00 0.00 C ATOM 232 O LYS A 94 -1.503 2.650 11.549 1.00 0.00 O ATOM 233 CB LYS A 94 0.304 0.107 10.284 1.00 0.00 C ATOM 234 CG LYS A 94 0.015 -0.754 11.519 1.00 0.00 C ATOM 235 CD LYS A 94 -0.726 -2.042 11.095 1.00 0.00 C ATOM 236 CE LYS A 94 0.284 -3.119 10.678 1.00 0.00 C ATOM 237 NZ LYS A 94 -0.443 -4.344 10.244 1.00 0.00 N ATOM 0 H LYS A 94 -0.201 0.679 7.996 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.826 0.478 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.568 -0.531 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.160 0.754 10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.947 -1.009 12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.590 -0.193 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.338 -2.407 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.402 -1.826 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.911 -2.749 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.946 -3.353 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.243 -5.073 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.023 -4.700 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.057 -4.115 9.437 1.00 0.00 H new ATOM 251 N ASP A 95 0.057 3.179 10.006 1.00 0.00 N ATOM 252 CA ASP A 95 0.278 4.524 10.519 1.00 0.00 C ATOM 253 C ASP A 95 -1.001 5.352 10.454 1.00 0.00 C ATOM 254 O ASP A 95 -1.136 6.331 11.178 1.00 0.00 O ATOM 255 CB ASP A 95 1.364 5.221 9.693 1.00 0.00 C ATOM 256 CG ASP A 95 2.602 4.335 9.587 1.00 0.00 C ATOM 257 OD1 ASP A 95 3.054 3.854 10.614 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.079 4.153 8.479 1.00 0.00 O ATOM 0 H ASP A 95 0.626 2.940 9.194 1.00 0.00 H new ATOM 0 HA ASP A 95 0.592 4.441 11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.984 5.446 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.628 6.172 10.156 1.00 0.00 H new ATOM 263 N GLN A 96 -1.933 4.932 9.598 1.00 0.00 N ATOM 264 CA GLN A 96 -3.224 5.621 9.440 1.00 0.00 C ATOM 265 C GLN A 96 -3.050 7.062 8.947 1.00 0.00 C ATOM 266 O GLN A 96 -3.876 7.927 9.236 1.00 0.00 O ATOM 267 CB GLN A 96 -4.009 5.561 10.783 1.00 0.00 C ATOM 268 CG GLN A 96 -3.871 6.863 11.643 1.00 0.00 C ATOM 269 CD GLN A 96 -3.691 6.512 13.119 1.00 0.00 C ATOM 270 OE1 GLN A 96 -4.507 5.788 13.686 1.00 0.00 O ATOM 271 NE2 GLN A 96 -2.657 6.975 13.771 1.00 0.00 N ATOM 0 H GLN A 96 -1.821 4.114 8.999 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.801 5.107 8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.064 5.384 10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.654 4.711 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.019 7.447 11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.757 7.485 11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.982 7.575 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.525 6.736 14.754 1.00 0.00 H new ATOM 280 N ASN A 97 -1.984 7.316 8.200 1.00 0.00 N ATOM 281 CA ASN A 97 -1.739 8.662 7.688 1.00 0.00 C ATOM 282 C ASN A 97 -2.605 8.920 6.464 1.00 0.00 C ATOM 283 O ASN A 97 -2.610 10.019 5.911 1.00 0.00 O ATOM 284 CB ASN A 97 -0.262 8.821 7.324 1.00 0.00 C ATOM 285 CG ASN A 97 0.605 8.439 8.518 1.00 0.00 C ATOM 286 OD1 ASN A 97 1.668 7.841 8.349 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.209 8.749 9.722 1.00 0.00 N ATOM 0 H ASN A 97 -1.284 6.622 7.937 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.995 9.386 8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.018 8.191 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.059 9.851 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.781 8.496 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.672 9.244 9.857 1.00 0.00 H new ATOM 294 N GLY A 98 -3.341 7.892 6.051 1.00 0.00 N ATOM 295 CA GLY A 98 -4.217 7.998 4.886 1.00 0.00 C ATOM 296 C GLY A 98 -3.472 7.585 3.623 1.00 0.00 C ATOM 297 O GLY A 98 -4.030 7.598 2.527 1.00 0.00 O ATOM 0 H GLY A 98 -3.349 6.978 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.093 7.364 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.577 9.022 4.785 1.00 0.00 H new ATOM 301 N PHE A 99 -2.199 7.229 3.790 1.00 0.00 N ATOM 302 CA PHE A 99 -1.359 6.808 2.671 1.00 0.00 C ATOM 303 C PHE A 99 -0.542 5.588 3.066 1.00 0.00 C ATOM 304 O PHE A 99 0.012 5.538 4.163 1.00 0.00 O ATOM 305 CB PHE A 99 -0.384 7.919 2.297 1.00 0.00 C ATOM 306 CG PHE A 99 -1.139 9.157 1.894 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.614 10.036 2.870 1.00 0.00 C ATOM 308 CD2 PHE A 99 -1.354 9.428 0.541 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.307 11.190 2.493 1.00 0.00 C ATOM 310 CE2 PHE A 99 -2.045 10.577 0.161 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.524 11.462 1.136 1.00 0.00 C ATOM 0 H PHE A 99 -1.726 7.224 4.694 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.010 6.576 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.268 8.140 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.256 7.591 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.446 9.824 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.985 8.747 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.674 11.871 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.211 10.785 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.060 12.352 0.842 1.00 0.00 H new ATOM 321 N ILE A 100 -0.430 4.622 2.160 1.00 0.00 N ATOM 322 CA ILE A 100 0.370 3.439 2.442 1.00 0.00 C ATOM 323 C ILE A 100 1.825 3.757 2.152 1.00 0.00 C ATOM 324 O ILE A 100 2.169 4.226 1.066 1.00 0.00 O ATOM 325 CB ILE A 100 -0.091 2.253 1.596 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.514 1.879 1.998 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.837 1.060 1.839 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.095 0.900 0.977 1.00 0.00 C ATOM 0 H ILE A 100 -0.874 4.634 1.242 1.00 0.00 H new ATOM 0 HA ILE A 100 0.250 3.164 3.490 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.064 2.522 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.516 1.429 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.134 2.774 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.508 0.214 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.856 1.329 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.809 0.786 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.112 0.634 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.108 1.367 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.480 0.001 0.944 1.00 0.00 H new ATOM 340 N SER A 101 2.670 3.514 3.139 1.00 0.00 N ATOM 341 CA SER A 101 4.098 3.790 3.005 1.00 0.00 C ATOM 342 C SER A 101 4.866 2.507 2.764 1.00 0.00 C ATOM 343 O SER A 101 4.464 1.438 3.224 1.00 0.00 O ATOM 344 CB SER A 101 4.619 4.460 4.277 1.00 0.00 C ATOM 345 OG SER A 101 6.037 4.541 4.215 1.00 0.00 O ATOM 0 H SER A 101 2.397 3.127 4.042 1.00 0.00 H new ATOM 0 HA SER A 101 4.243 4.456 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.190 5.457 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.313 3.890 5.154 1.00 0.00 H new ATOM 0 HG SER A 101 6.376 4.971 5.028 1.00 0.00 H new ATOM 351 N ALA A 102 5.991 2.612 2.063 1.00 0.00 N ATOM 352 CA ALA A 102 6.805 1.432 1.810 1.00 0.00 C ATOM 353 C ALA A 102 7.077 0.757 3.145 1.00 0.00 C ATOM 354 O ALA A 102 7.106 -0.470 3.250 1.00 0.00 O ATOM 355 CB ALA A 102 8.125 1.825 1.142 1.00 0.00 C ATOM 0 H ALA A 102 6.352 3.481 1.669 1.00 0.00 H new ATOM 0 HA ALA A 102 6.280 0.752 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.721 0.931 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.919 2.323 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.676 2.502 1.795 1.00 0.00 H new ATOM 361 N ALA A 103 7.245 1.587 4.169 1.00 0.00 N ATOM 362 CA ALA A 103 7.482 1.098 5.517 1.00 0.00 C ATOM 363 C ALA A 103 6.333 0.195 5.948 1.00 0.00 C ATOM 364 O ALA A 103 6.549 -0.919 6.425 1.00 0.00 O ATOM 365 CB ALA A 103 7.583 2.284 6.480 1.00 0.00 C ATOM 0 H ALA A 103 7.221 2.603 4.088 1.00 0.00 H new ATOM 0 HA ALA A 103 8.413 0.531 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.761 1.918 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.408 2.929 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.652 2.851 6.458 1.00 0.00 H new ATOM 371 N GLU A 104 5.108 0.681 5.763 1.00 0.00 N ATOM 372 CA GLU A 104 3.934 -0.084 6.120 1.00 0.00 C ATOM 373 C GLU A 104 3.817 -1.303 5.213 1.00 0.00 C ATOM 374 O GLU A 104 3.516 -2.405 5.665 1.00 0.00 O ATOM 375 CB GLU A 104 2.696 0.796 5.967 1.00 0.00 C ATOM 376 CG GLU A 104 2.726 1.918 7.006 1.00 0.00 C ATOM 377 CD GLU A 104 1.541 2.854 6.788 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.250 3.152 5.642 1.00 0.00 O ATOM 379 OE2 GLU A 104 0.945 3.259 7.770 1.00 0.00 O ATOM 0 H GLU A 104 4.911 1.601 5.368 1.00 0.00 H new ATOM 0 HA GLU A 104 4.017 -0.419 7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.661 1.219 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.795 0.196 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.689 1.497 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.660 2.474 6.928 1.00 0.00 H new ATOM 386 N LEU A 105 4.069 -1.092 3.927 1.00 0.00 N ATOM 387 CA LEU A 105 4.001 -2.172 2.953 1.00 0.00 C ATOM 388 C LEU A 105 5.036 -3.242 3.293 1.00 0.00 C ATOM 389 O LEU A 105 4.775 -4.438 3.177 1.00 0.00 O ATOM 390 CB LEU A 105 4.266 -1.616 1.545 1.00 0.00 C ATOM 391 CG LEU A 105 3.665 -2.556 0.474 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.182 -2.214 0.249 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.427 -2.393 -0.849 1.00 0.00 C ATOM 0 H LEU A 105 4.322 -0.185 3.536 1.00 0.00 H new ATOM 0 HA LEU A 105 3.007 -2.618 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.830 -0.621 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.339 -1.510 1.385 1.00 0.00 H new ATOM 0 HG LEU A 105 3.752 -3.586 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.766 -2.880 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.634 -2.338 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.094 -1.182 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.999 -3.058 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.347 -1.361 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.477 -2.645 -0.698 1.00 0.00 H new ATOM 405 N ARG A 106 6.208 -2.792 3.728 1.00 0.00 N ATOM 406 CA ARG A 106 7.273 -3.714 4.101 1.00 0.00 C ATOM 407 C ARG A 106 6.877 -4.480 5.360 1.00 0.00 C ATOM 408 O ARG A 106 7.062 -5.692 5.447 1.00 0.00 O ATOM 409 CB ARG A 106 8.578 -2.949 4.354 1.00 0.00 C ATOM 410 CG ARG A 106 9.709 -3.941 4.655 1.00 0.00 C ATOM 411 CD ARG A 106 11.013 -3.178 4.894 1.00 0.00 C ATOM 412 NE ARG A 106 12.129 -4.110 5.003 1.00 0.00 N ATOM 413 CZ ARG A 106 13.369 -3.678 5.216 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.598 -2.789 6.143 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.355 -4.142 4.499 1.00 0.00 N ATOM 0 H ARG A 106 6.443 -1.805 3.830 1.00 0.00 H new ATOM 0 HA ARG A 106 7.429 -4.416 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.832 -2.346 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.452 -2.262 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.459 -4.537 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.829 -4.634 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.190 -2.481 4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.934 -2.585 5.805 1.00 0.00 H new ATOM 0 HE ARG A 106 11.956 -5.111 4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.827 -2.426 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.548 -2.457 6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.176 -4.837 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.305 -3.810 4.663 1.00 0.00 H new ATOM 429 N HIS A 107 6.328 -3.756 6.332 1.00 0.00 N ATOM 430 CA HIS A 107 5.906 -4.362 7.590 1.00 0.00 C ATOM 431 C HIS A 107 4.721 -5.305 7.379 1.00 0.00 C ATOM 432 O HIS A 107 4.697 -6.414 7.912 1.00 0.00 O ATOM 433 CB HIS A 107 5.517 -3.265 8.584 1.00 0.00 C ATOM 434 CG HIS A 107 5.178 -3.884 9.911 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.151 -4.390 10.760 1.00 0.00 N ATOM 436 CD2 HIS A 107 3.982 -4.082 10.552 1.00 0.00 C ATOM 437 CE1 HIS A 107 5.528 -4.862 11.855 1.00 0.00 C ATOM 438 NE2 HIS A 107 4.204 -4.699 11.780 1.00 0.00 N ATOM 0 H HIS A 107 6.166 -2.751 6.272 1.00 0.00 H new ATOM 0 HA HIS A 107 6.739 -4.943 7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.338 -2.558 8.700 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.664 -2.703 8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.014 -3.802 10.163 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.036 -5.317 12.692 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.506 -4.969 12.473 1.00 0.00 H new ATOM 446 N VAL A 108 3.742 -4.854 6.601 1.00 0.00 N ATOM 447 CA VAL A 108 2.556 -5.662 6.327 1.00 0.00 C ATOM 448 C VAL A 108 2.950 -6.937 5.581 1.00 0.00 C ATOM 449 O VAL A 108 2.499 -8.031 5.919 1.00 0.00 O ATOM 450 CB VAL A 108 1.553 -4.834 5.506 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.368 -5.709 5.072 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.037 -3.659 6.360 1.00 0.00 C ATOM 0 H VAL A 108 3.745 -3.939 6.151 1.00 0.00 H new ATOM 0 HA VAL A 108 2.086 -5.952 7.267 1.00 0.00 H new ATOM 0 HB VAL A 108 2.055 -4.452 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.334 -5.110 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.731 -6.536 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.135 -6.104 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.326 -3.072 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.544 -4.046 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.875 -3.027 6.654 1.00 0.00 H new ATOM 462 N MET A 109 3.816 -6.787 4.582 1.00 0.00 N ATOM 463 CA MET A 109 4.300 -7.924 3.808 1.00 0.00 C ATOM 464 C MET A 109 5.185 -8.806 4.689 1.00 0.00 C ATOM 465 O MET A 109 5.284 -10.015 4.482 1.00 0.00 O ATOM 466 CB MET A 109 5.096 -7.417 2.596 1.00 0.00 C ATOM 467 CG MET A 109 4.135 -6.975 1.487 1.00 0.00 C ATOM 468 SD MET A 109 2.796 -5.972 2.183 1.00 0.00 S ATOM 469 CE MET A 109 1.886 -5.699 0.644 1.00 0.00 C ATOM 0 H MET A 109 4.197 -5.887 4.290 1.00 0.00 H new ATOM 0 HA MET A 109 3.453 -8.514 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.732 -6.583 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.753 -8.204 2.227 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.676 -6.401 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.721 -7.849 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.221 -4.843 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.590 -5.503 -0.165 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.298 -6.586 0.407 1.00 0.00 H new ATOM 479 N THR A 110 5.816 -8.193 5.684 1.00 0.00 N ATOM 480 CA THR A 110 6.670 -8.933 6.608 1.00 0.00 C ATOM 481 C THR A 110 5.816 -9.762 7.569 1.00 0.00 C ATOM 482 O THR A 110 6.106 -10.931 7.825 1.00 0.00 O ATOM 483 CB THR A 110 7.563 -7.971 7.396 1.00 0.00 C ATOM 484 OG1 THR A 110 8.428 -7.291 6.496 1.00 0.00 O ATOM 485 CG2 THR A 110 8.395 -8.758 8.409 1.00 0.00 C ATOM 0 H THR A 110 5.754 -7.192 5.872 1.00 0.00 H new ATOM 0 HA THR A 110 7.304 -9.605 6.030 1.00 0.00 H new ATOM 0 HB THR A 110 6.943 -7.247 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.085 -6.388 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.030 -8.072 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.731 -9.281 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.018 -9.482 7.884 1.00 0.00 H new ATOM 493 N ASN A 111 4.743 -9.152 8.070 1.00 0.00 N ATOM 494 CA ASN A 111 3.823 -9.839 8.976 1.00 0.00 C ATOM 495 C ASN A 111 3.152 -10.983 8.227 1.00 0.00 C ATOM 496 O ASN A 111 2.950 -12.079 8.754 1.00 0.00 O ATOM 497 CB ASN A 111 2.746 -8.859 9.458 1.00 0.00 C ATOM 498 CG ASN A 111 3.308 -7.939 10.535 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.049 -6.735 10.520 1.00 0.00 O ATOM 500 ND2 ASN A 111 4.059 -8.435 11.478 1.00 0.00 N ATOM 0 H ASN A 111 4.489 -8.186 7.865 1.00 0.00 H new ATOM 0 HA ASN A 111 4.376 -10.224 9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.382 -8.267 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.893 -9.411 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.433 -7.826 12.205 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.272 -9.432 11.489 1.00 0.00 H new ATOM 507 N LEU A 112 2.815 -10.684 6.986 1.00 0.00 N ATOM 508 CA LEU A 112 2.159 -11.619 6.088 1.00 0.00 C ATOM 509 C LEU A 112 2.896 -12.955 6.053 1.00 0.00 C ATOM 510 O LEU A 112 2.340 -13.970 5.637 1.00 0.00 O ATOM 511 CB LEU A 112 2.157 -10.971 4.701 1.00 0.00 C ATOM 512 CG LEU A 112 1.344 -11.779 3.689 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.120 -11.913 4.149 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.396 -11.047 2.338 1.00 0.00 C ATOM 0 H LEU A 112 2.992 -9.771 6.566 1.00 0.00 H new ATOM 0 HA LEU A 112 1.144 -11.827 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.747 -9.964 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.183 -10.873 4.346 1.00 0.00 H new ATOM 0 HG LEU A 112 1.764 -12.781 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.681 -12.491 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.153 -12.421 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.563 -10.922 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.822 -11.606 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.972 -10.049 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.432 -10.966 2.008 1.00 0.00 H new ATOM 526 N GLY A 113 4.164 -12.939 6.458 1.00 0.00 N ATOM 527 CA GLY A 113 4.979 -14.148 6.428 1.00 0.00 C ATOM 528 C GLY A 113 5.676 -14.219 5.082 1.00 0.00 C ATOM 529 O GLY A 113 6.176 -15.263 4.661 1.00 0.00 O ATOM 0 H GLY A 113 4.645 -12.110 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.712 -14.132 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.356 -15.030 6.580 1.00 0.00 H new ATOM 533 N GLU A 114 5.719 -13.056 4.439 1.00 0.00 N ATOM 534 CA GLU A 114 6.367 -12.884 3.149 1.00 0.00 C ATOM 535 C GLU A 114 7.557 -11.959 3.336 1.00 0.00 C ATOM 536 O GLU A 114 7.482 -11.008 4.117 1.00 0.00 O ATOM 537 CB GLU A 114 5.383 -12.270 2.164 1.00 0.00 C ATOM 538 CG GLU A 114 4.254 -13.262 1.909 1.00 0.00 C ATOM 539 CD GLU A 114 4.777 -14.462 1.126 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.824 -14.333 0.513 1.00 0.00 O ATOM 541 OE2 GLU A 114 4.122 -15.491 1.149 1.00 0.00 O ATOM 0 H GLU A 114 5.300 -12.201 4.804 1.00 0.00 H new ATOM 0 HA GLU A 114 6.699 -13.846 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.983 -11.338 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.888 -12.026 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.830 -13.593 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.452 -12.777 1.353 1.00 0.00 H new ATOM 548 N LYS A 115 8.660 -12.231 2.645 1.00 0.00 N ATOM 549 CA LYS A 115 9.860 -11.403 2.782 1.00 0.00 C ATOM 550 C LYS A 115 10.380 -10.962 1.420 1.00 0.00 C ATOM 551 O LYS A 115 10.968 -11.749 0.680 1.00 0.00 O ATOM 552 CB LYS A 115 10.941 -12.198 3.515 1.00 0.00 C ATOM 553 CG LYS A 115 12.159 -11.306 3.763 1.00 0.00 C ATOM 554 CD LYS A 115 13.211 -12.096 4.543 1.00 0.00 C ATOM 555 CE LYS A 115 14.433 -11.213 4.791 1.00 0.00 C ATOM 556 NZ LYS A 115 14.053 -10.065 5.663 1.00 0.00 N ATOM 0 H LYS A 115 8.751 -13.008 1.991 1.00 0.00 H new ATOM 0 HA LYS A 115 9.603 -10.510 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.552 -12.571 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.229 -13.068 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.573 -10.964 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.866 -10.417 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.796 -12.436 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.500 -12.986 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.225 -11.795 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.828 -10.847 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.906 -9.667 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.586 -9.333 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.401 -10.393 6.404 1.00 0.00 H new ATOM 570 N LEU A 116 10.160 -9.687 1.103 1.00 0.00 N ATOM 571 CA LEU A 116 10.607 -9.119 -0.169 1.00 0.00 C ATOM 572 C LEU A 116 11.829 -8.239 0.057 1.00 0.00 C ATOM 573 O LEU A 116 12.033 -7.710 1.150 1.00 0.00 O ATOM 574 CB LEU A 116 9.499 -8.258 -0.783 1.00 0.00 C ATOM 575 CG LEU A 116 8.406 -9.139 -1.392 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.770 -10.024 -0.307 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.341 -8.229 -2.012 1.00 0.00 C ATOM 0 H LEU A 116 9.674 -9.027 1.710 1.00 0.00 H new ATOM 0 HA LEU A 116 10.854 -9.940 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.068 -7.611 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.919 -7.608 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 116 8.837 -9.788 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.994 -10.646 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.535 -10.661 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.330 -9.393 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.552 -8.839 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.916 -7.588 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.796 -7.611 -2.786 1.00 0.00 H new ATOM 589 N THR A 117 12.625 -8.067 -0.989 1.00 0.00 N ATOM 590 CA THR A 117 13.810 -7.225 -0.905 1.00 0.00 C ATOM 591 C THR A 117 13.415 -5.766 -1.045 1.00 0.00 C ATOM 592 O THR A 117 12.273 -5.450 -1.380 1.00 0.00 O ATOM 593 CB THR A 117 14.802 -7.592 -2.003 1.00 0.00 C ATOM 594 OG1 THR A 117 14.371 -7.033 -3.235 1.00 0.00 O ATOM 595 CG2 THR A 117 14.880 -9.107 -2.126 1.00 0.00 C ATOM 0 H THR A 117 12.473 -8.497 -1.901 1.00 0.00 H new ATOM 0 HA THR A 117 14.282 -7.383 0.065 1.00 0.00 H new ATOM 0 HB THR A 117 15.787 -7.198 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.009 -7.267 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.589 -9.372 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.211 -9.532 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.896 -9.503 -2.377 1.00 0.00 H new ATOM 603 N ASP A 118 14.364 -4.884 -0.805 1.00 0.00 N ATOM 604 CA ASP A 118 14.109 -3.461 -0.927 1.00 0.00 C ATOM 605 C ASP A 118 13.754 -3.122 -2.368 1.00 0.00 C ATOM 606 O ASP A 118 12.867 -2.308 -2.626 1.00 0.00 O ATOM 607 CB ASP A 118 15.358 -2.696 -0.500 1.00 0.00 C ATOM 608 CG ASP A 118 15.146 -1.195 -0.667 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.015 -0.801 -0.899 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.116 -0.463 -0.557 1.00 0.00 O ATOM 0 H ASP A 118 15.315 -5.125 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 118 13.273 -3.179 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.593 -2.923 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.211 -3.018 -1.097 1.00 0.00 H new ATOM 615 N GLU A 119 14.464 -3.746 -3.299 1.00 0.00 N ATOM 616 CA GLU A 119 14.240 -3.507 -4.718 1.00 0.00 C ATOM 617 C GLU A 119 12.865 -3.991 -5.174 1.00 0.00 C ATOM 618 O GLU A 119 12.173 -3.281 -5.904 1.00 0.00 O ATOM 619 CB GLU A 119 15.326 -4.217 -5.517 1.00 0.00 C ATOM 620 CG GLU A 119 16.661 -3.507 -5.287 1.00 0.00 C ATOM 621 CD GLU A 119 17.777 -4.240 -6.019 1.00 0.00 C ATOM 622 OE1 GLU A 119 17.476 -5.201 -6.707 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.917 -3.828 -5.882 1.00 0.00 O ATOM 0 H GLU A 119 15.200 -4.422 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 119 14.278 -2.431 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.397 -5.260 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.076 -4.213 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.600 -2.477 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.881 -3.466 -4.220 1.00 0.00 H new ATOM 630 N GLU A 120 12.452 -5.178 -4.734 1.00 0.00 N ATOM 631 CA GLU A 120 11.137 -5.676 -5.119 1.00 0.00 C ATOM 632 C GLU A 120 10.087 -4.735 -4.559 1.00 0.00 C ATOM 633 O GLU A 120 9.127 -4.366 -5.237 1.00 0.00 O ATOM 634 CB GLU A 120 10.907 -7.086 -4.565 1.00 0.00 C ATOM 635 CG GLU A 120 11.824 -8.079 -5.279 1.00 0.00 C ATOM 636 CD GLU A 120 11.666 -9.466 -4.662 1.00 0.00 C ATOM 637 OE1 GLU A 120 10.864 -9.597 -3.753 1.00 0.00 O ATOM 638 OE2 GLU A 120 12.350 -10.372 -5.106 1.00 0.00 O ATOM 0 H GLU A 120 12.992 -5.796 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 120 11.072 -5.722 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 120 11.103 -7.102 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.865 -7.375 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.581 -8.114 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.861 -7.752 -5.200 1.00 0.00 H new ATOM 645 N VAL A 121 10.303 -4.340 -3.313 1.00 0.00 N ATOM 646 CA VAL A 121 9.404 -3.423 -2.632 1.00 0.00 C ATOM 647 C VAL A 121 9.379 -2.080 -3.358 1.00 0.00 C ATOM 648 O VAL A 121 8.311 -1.522 -3.613 1.00 0.00 O ATOM 649 CB VAL A 121 9.900 -3.240 -1.193 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.188 -2.060 -0.523 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.628 -4.519 -0.395 1.00 0.00 C ATOM 0 H VAL A 121 11.098 -4.643 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 121 8.391 -3.826 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 121 10.970 -3.036 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.554 -1.946 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.389 -1.147 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.114 -2.246 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.980 -4.391 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.557 -4.723 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.153 -5.355 -0.857 1.00 0.00 H new ATOM 661 N ASP A 122 10.563 -1.566 -3.689 1.00 0.00 N ATOM 662 CA ASP A 122 10.662 -0.287 -4.387 1.00 0.00 C ATOM 663 C ASP A 122 10.017 -0.359 -5.771 1.00 0.00 C ATOM 664 O ASP A 122 9.233 0.514 -6.144 1.00 0.00 O ATOM 665 CB ASP A 122 12.134 0.109 -4.532 1.00 0.00 C ATOM 666 CG ASP A 122 12.701 0.520 -3.177 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.917 0.749 -2.270 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.914 0.600 -3.065 1.00 0.00 O ATOM 0 H ASP A 122 11.458 -2.011 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 122 10.131 0.461 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.706 -0.727 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.229 0.932 -5.240 1.00 0.00 H new ATOM 673 N GLU A 123 10.366 -1.390 -6.540 1.00 0.00 N ATOM 674 CA GLU A 123 9.831 -1.543 -7.891 1.00 0.00 C ATOM 675 C GLU A 123 8.309 -1.553 -7.873 1.00 0.00 C ATOM 676 O GLU A 123 7.665 -0.868 -8.668 1.00 0.00 O ATOM 677 CB GLU A 123 10.341 -2.852 -8.501 1.00 0.00 C ATOM 678 CG GLU A 123 9.900 -2.948 -9.964 1.00 0.00 C ATOM 679 CD GLU A 123 10.435 -4.233 -10.585 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.891 -5.083 -9.839 1.00 0.00 O ATOM 681 OE2 GLU A 123 10.380 -4.350 -11.799 1.00 0.00 O ATOM 0 H GLU A 123 11.012 -2.126 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 123 10.167 -0.698 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.428 -2.895 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.954 -3.701 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.812 -2.929 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.266 -2.085 -10.520 1.00 0.00 H new ATOM 688 N MET A 124 7.739 -2.319 -6.955 1.00 0.00 N ATOM 689 CA MET A 124 6.291 -2.396 -6.828 1.00 0.00 C ATOM 690 C MET A 124 5.725 -1.037 -6.439 1.00 0.00 C ATOM 691 O MET A 124 4.703 -0.593 -6.963 1.00 0.00 O ATOM 692 CB MET A 124 5.937 -3.435 -5.761 1.00 0.00 C ATOM 693 CG MET A 124 4.434 -3.409 -5.477 1.00 0.00 C ATOM 694 SD MET A 124 3.932 -4.991 -4.757 1.00 0.00 S ATOM 695 CE MET A 124 5.205 -5.078 -3.473 1.00 0.00 C ATOM 0 H MET A 124 8.255 -2.894 -6.289 1.00 0.00 H new ATOM 0 HA MET A 124 5.858 -2.691 -7.784 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.234 -4.428 -6.098 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.491 -3.230 -4.845 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.196 -2.594 -4.794 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.882 -3.224 -6.398 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.852 -5.702 -2.652 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.115 -5.509 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.416 -4.075 -3.102 1.00 0.00 H new ATOM 705 N ILE A 125 6.415 -0.394 -5.516 1.00 0.00 N ATOM 706 CA ILE A 125 6.022 0.922 -5.028 1.00 0.00 C ATOM 707 C ILE A 125 6.186 1.989 -6.119 1.00 0.00 C ATOM 708 O ILE A 125 5.292 2.807 -6.331 1.00 0.00 O ATOM 709 CB ILE A 125 6.877 1.242 -3.781 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.315 0.490 -2.555 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.920 2.744 -3.481 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.876 0.942 -2.225 1.00 0.00 C ATOM 0 H ILE A 125 7.261 -0.764 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 125 4.966 0.923 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 125 7.895 0.914 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.325 -0.583 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.959 0.664 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.532 2.921 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.350 3.273 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.909 3.108 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.512 0.392 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.871 2.010 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.228 0.743 -3.078 1.00 0.00 H new ATOM 724 N ARG A 126 7.322 1.970 -6.809 1.00 0.00 N ATOM 725 CA ARG A 126 7.572 2.940 -7.876 1.00 0.00 C ATOM 726 C ARG A 126 6.599 2.715 -9.030 1.00 0.00 C ATOM 727 O ARG A 126 6.136 3.661 -9.669 1.00 0.00 O ATOM 728 CB ARG A 126 9.012 2.822 -8.388 1.00 0.00 C ATOM 729 CG ARG A 126 9.277 3.922 -9.423 1.00 0.00 C ATOM 730 CD ARG A 126 10.737 3.860 -9.875 1.00 0.00 C ATOM 731 NE ARG A 126 11.622 4.196 -8.765 1.00 0.00 N ATOM 732 CZ ARG A 126 12.943 4.143 -8.897 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.534 4.818 -9.844 1.00 0.00 N ATOM 734 NH2 ARG A 126 13.651 3.413 -8.078 1.00 0.00 N ATOM 0 H ARG A 126 8.078 1.303 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 126 7.424 3.940 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.713 2.912 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.171 1.841 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.615 3.796 -10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.060 4.900 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.969 2.861 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.899 4.552 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 126 11.219 4.477 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.982 5.388 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.548 4.776 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.190 2.884 -7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.665 3.372 -8.179 1.00 0.00 H new ATOM 748 N GLU A 127 6.296 1.447 -9.279 1.00 0.00 N ATOM 749 CA GLU A 127 5.374 1.067 -10.344 1.00 0.00 C ATOM 750 C GLU A 127 3.949 1.496 -10.003 1.00 0.00 C ATOM 751 O GLU A 127 3.171 1.858 -10.883 1.00 0.00 O ATOM 752 CB GLU A 127 5.426 -0.449 -10.542 1.00 0.00 C ATOM 753 CG GLU A 127 4.537 -0.850 -11.720 1.00 0.00 C ATOM 754 CD GLU A 127 4.627 -2.355 -11.941 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.155 -3.031 -11.071 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.166 -2.812 -12.975 1.00 0.00 O ATOM 0 H GLU A 127 6.678 0.660 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 127 5.673 1.569 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.453 -0.766 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.094 -0.955 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.504 -0.563 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.849 -0.321 -12.620 1.00 0.00 H new ATOM 763 N ALA A 128 3.620 1.454 -8.715 1.00 0.00 N ATOM 764 CA ALA A 128 2.276 1.848 -8.269 1.00 0.00 C ATOM 765 C ALA A 128 2.167 3.385 -8.042 1.00 0.00 C ATOM 766 O ALA A 128 1.064 3.914 -7.946 1.00 0.00 O ATOM 767 CB ALA A 128 1.884 1.080 -6.993 1.00 0.00 C ATOM 0 H ALA A 128 4.249 1.157 -7.969 1.00 0.00 H new ATOM 0 HA ALA A 128 1.577 1.587 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.886 1.384 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.889 0.009 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.599 1.302 -6.201 1.00 0.00 H new ATOM 773 N ASP A 129 3.321 4.078 -7.948 1.00 0.00 N ATOM 774 CA ASP A 129 3.383 5.550 -7.708 1.00 0.00 C ATOM 775 C ASP A 129 3.560 6.392 -9.024 1.00 0.00 C ATOM 776 O ASP A 129 4.567 6.245 -9.718 1.00 0.00 O ATOM 777 CB ASP A 129 4.589 5.808 -6.750 1.00 0.00 C ATOM 778 CG ASP A 129 4.219 5.644 -5.265 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.312 6.323 -4.808 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.874 4.857 -4.593 1.00 0.00 O ATOM 0 H ASP A 129 4.239 3.641 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 129 2.435 5.871 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.396 5.119 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.969 6.816 -6.916 1.00 0.00 H new ATOM 785 N VAL A 130 2.607 7.316 -9.347 1.00 0.00 N ATOM 786 CA VAL A 130 2.750 8.190 -10.560 1.00 0.00 C ATOM 787 C VAL A 130 3.043 9.608 -10.129 1.00 0.00 C ATOM 788 O VAL A 130 3.431 10.452 -10.948 1.00 0.00 O ATOM 789 CB VAL A 130 1.468 8.388 -11.425 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.559 7.806 -12.829 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.176 7.930 -10.708 1.00 0.00 C ATOM 0 H VAL A 130 1.757 7.475 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 130 3.521 7.675 -11.133 1.00 0.00 H new ATOM 0 HB VAL A 130 1.405 9.469 -11.554 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.625 7.989 -13.360 1.00 0.00 H new ATOM 0 HG12 VAL A 130 2.381 8.279 -13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.737 6.732 -12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.681 8.094 -11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.250 6.870 -10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.047 8.503 -9.790 1.00 0.00 H new ATOM 801 N ASP A 131 2.831 9.880 -8.862 1.00 0.00 N ATOM 802 CA ASP A 131 3.079 11.183 -8.336 1.00 0.00 C ATOM 803 C ASP A 131 4.406 11.071 -7.617 1.00 0.00 C ATOM 804 O ASP A 131 4.947 12.044 -7.093 1.00 0.00 O ATOM 805 CB ASP A 131 1.926 11.555 -7.410 1.00 0.00 C ATOM 806 CG ASP A 131 1.764 10.515 -6.305 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.460 9.510 -6.349 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.940 10.735 -5.437 1.00 0.00 O ATOM 0 H ASP A 131 2.485 9.205 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 131 3.135 11.968 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.109 12.535 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.002 11.630 -7.984 1.00 0.00 H new ATOM 813 N GLY A 132 4.937 9.846 -7.614 1.00 0.00 N ATOM 814 CA GLY A 132 6.210 9.627 -6.972 1.00 0.00 C ATOM 815 C GLY A 132 6.154 10.117 -5.536 1.00 0.00 C ATOM 816 O GLY A 132 7.172 10.225 -4.861 1.00 0.00 O ATOM 0 H GLY A 132 4.512 9.021 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.461 8.567 -6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.996 10.152 -7.515 1.00 0.00 H new ATOM 820 N ASP A 133 4.938 10.423 -5.071 1.00 0.00 N ATOM 821 CA ASP A 133 4.758 10.909 -3.704 1.00 0.00 C ATOM 822 C ASP A 133 5.605 10.080 -2.747 1.00 0.00 C ATOM 823 O ASP A 133 5.992 10.552 -1.679 1.00 0.00 O ATOM 824 CB ASP A 133 3.284 10.839 -3.283 1.00 0.00 C ATOM 825 CG ASP A 133 2.780 9.401 -3.342 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.504 8.559 -3.842 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.675 9.166 -2.880 1.00 0.00 O ATOM 0 H ASP A 133 4.078 10.344 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 133 5.076 11.951 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.169 11.230 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.682 11.469 -3.938 1.00 0.00 H new ATOM 832 N GLY A 134 5.898 8.841 -3.145 1.00 0.00 N ATOM 833 CA GLY A 134 6.713 7.946 -2.321 1.00 0.00 C ATOM 834 C GLY A 134 5.832 7.002 -1.512 1.00 0.00 C ATOM 835 O GLY A 134 6.327 6.150 -0.773 1.00 0.00 O ATOM 0 H GLY A 134 5.585 8.436 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.384 7.369 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.338 8.533 -1.648 1.00 0.00 H new ATOM 839 N GLN A 135 4.524 7.152 -1.673 1.00 0.00 N ATOM 840 CA GLN A 135 3.558 6.309 -0.974 1.00 0.00 C ATOM 841 C GLN A 135 2.348 6.095 -1.866 1.00 0.00 C ATOM 842 O GLN A 135 2.139 6.830 -2.831 1.00 0.00 O ATOM 843 CB GLN A 135 3.126 6.961 0.354 1.00 0.00 C ATOM 844 CG GLN A 135 3.227 8.479 0.236 1.00 0.00 C ATOM 845 CD GLN A 135 2.651 9.142 1.483 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.927 8.708 2.601 1.00 0.00 O ATOM 847 NE2 GLN A 135 1.860 10.174 1.358 1.00 0.00 N ATOM 0 H GLN A 135 4.104 7.853 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 135 4.022 5.350 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.103 6.672 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.759 6.607 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.269 8.773 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.688 8.819 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.632 10.533 0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.470 10.621 2.188 1.00 0.00 H new ATOM 856 N ILE A 136 1.542 5.093 -1.538 1.00 0.00 N ATOM 857 CA ILE A 136 0.349 4.802 -2.319 1.00 0.00 C ATOM 858 C ILE A 136 -0.866 5.366 -1.600 1.00 0.00 C ATOM 859 O ILE A 136 -1.220 4.915 -0.513 1.00 0.00 O ATOM 860 CB ILE A 136 0.215 3.271 -2.504 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.040 2.814 -3.711 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.245 2.866 -2.716 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.470 3.321 -3.562 1.00 0.00 C ATOM 0 H ILE A 136 1.692 4.473 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 136 0.422 5.264 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 136 0.585 2.792 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.033 1.726 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.600 3.196 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.308 1.785 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.835 3.165 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.634 3.359 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.062 2.998 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.467 4.410 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.906 2.918 -2.648 1.00 0.00 H new ATOM 875 N ASN A 137 -1.523 6.321 -2.235 1.00 0.00 N ATOM 876 CA ASN A 137 -2.721 6.896 -1.662 1.00 0.00 C ATOM 877 C ASN A 137 -3.856 5.921 -1.918 1.00 0.00 C ATOM 878 O ASN A 137 -3.740 5.056 -2.786 1.00 0.00 O ATOM 879 CB ASN A 137 -3.016 8.252 -2.308 1.00 0.00 C ATOM 880 CG ASN A 137 -4.133 8.965 -1.555 1.00 0.00 C ATOM 881 OD1 ASN A 137 -4.677 8.427 -0.593 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.503 10.156 -1.938 1.00 0.00 N ATOM 0 H ASN A 137 -1.249 6.709 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.599 7.063 -0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.116 8.867 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.303 8.111 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.246 10.644 -1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.049 10.599 -2.737 1.00 0.00 H new ATOM 889 N TYR A 138 -4.934 6.022 -1.163 1.00 0.00 N ATOM 890 CA TYR A 138 -6.035 5.089 -1.349 1.00 0.00 C ATOM 891 C TYR A 138 -6.479 5.059 -2.811 1.00 0.00 C ATOM 892 O TYR A 138 -6.589 3.988 -3.402 1.00 0.00 O ATOM 893 CB TYR A 138 -7.215 5.486 -0.461 1.00 0.00 C ATOM 894 CG TYR A 138 -8.404 4.641 -0.839 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.380 3.271 -0.590 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.507 5.219 -1.474 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.459 2.473 -0.962 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.590 4.421 -1.853 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.567 3.046 -1.595 1.00 0.00 C ATOM 900 OH TYR A 138 -11.633 2.253 -1.967 1.00 0.00 O ATOM 0 H TYR A 138 -5.073 6.721 -0.433 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.690 4.094 -1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.965 5.339 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.446 6.544 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.522 2.826 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.522 6.281 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.440 1.412 -0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.443 4.865 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.458 2.611 -1.579 1.00 0.00 H new ATOM 910 N GLU A 139 -6.732 6.226 -3.387 1.00 0.00 N ATOM 911 CA GLU A 139 -7.172 6.292 -4.776 1.00 0.00 C ATOM 912 C GLU A 139 -6.203 5.544 -5.684 1.00 0.00 C ATOM 913 O GLU A 139 -6.620 4.813 -6.583 1.00 0.00 O ATOM 914 CB GLU A 139 -7.284 7.753 -5.213 1.00 0.00 C ATOM 915 CG GLU A 139 -5.928 8.442 -5.060 1.00 0.00 C ATOM 916 CD GLU A 139 -6.083 9.943 -5.269 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.028 10.500 -4.735 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.255 10.514 -5.961 1.00 0.00 O ATOM 0 H GLU A 139 -6.642 7.130 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.150 5.817 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.616 7.808 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.034 8.266 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.520 8.244 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.220 8.036 -5.783 1.00 0.00 H new ATOM 925 N GLU A 140 -4.913 5.724 -5.445 1.00 0.00 N ATOM 926 CA GLU A 140 -3.902 5.055 -6.245 1.00 0.00 C ATOM 927 C GLU A 140 -3.953 3.553 -5.996 1.00 0.00 C ATOM 928 O GLU A 140 -3.774 2.756 -6.915 1.00 0.00 O ATOM 929 CB GLU A 140 -2.523 5.598 -5.885 1.00 0.00 C ATOM 930 CG GLU A 140 -1.481 5.074 -6.873 1.00 0.00 C ATOM 931 CD GLU A 140 -0.145 5.758 -6.614 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.529 5.366 -5.676 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.186 6.667 -7.359 1.00 0.00 O ATOM 0 H GLU A 140 -4.544 6.324 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.096 5.243 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.536 6.688 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.258 5.298 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.375 3.994 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.806 5.264 -7.896 1.00 0.00 H new ATOM 940 N PHE A 141 -4.227 3.176 -4.746 1.00 0.00 N ATOM 941 CA PHE A 141 -4.327 1.768 -4.387 1.00 0.00 C ATOM 942 C PHE A 141 -5.459 1.137 -5.187 1.00 0.00 C ATOM 943 O PHE A 141 -5.357 0.011 -5.674 1.00 0.00 O ATOM 944 CB PHE A 141 -4.582 1.598 -2.883 1.00 0.00 C ATOM 945 CG PHE A 141 -4.496 0.128 -2.502 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.314 -0.600 -2.728 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.604 -0.515 -1.928 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.246 -1.951 -2.384 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.529 -1.868 -1.590 1.00 0.00 C ATOM 950 CZ PHE A 141 -4.352 -2.583 -1.818 1.00 0.00 C ATOM 0 H PHE A 141 -4.382 3.824 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.384 1.273 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.850 2.172 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.565 1.992 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.457 -0.113 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.515 0.037 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.336 -2.507 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.383 -2.362 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.298 -3.629 -1.555 1.00 0.00 H new ATOM 960 N VAL A 142 -6.540 1.892 -5.316 1.00 0.00 N ATOM 961 CA VAL A 142 -7.700 1.442 -6.065 1.00 0.00 C ATOM 962 C VAL A 142 -7.330 1.280 -7.544 1.00 0.00 C ATOM 963 O VAL A 142 -7.735 0.316 -8.193 1.00 0.00 O ATOM 964 CB VAL A 142 -8.843 2.455 -5.900 1.00 0.00 C ATOM 965 CG1 VAL A 142 -10.012 2.079 -6.812 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.321 2.455 -4.439 1.00 0.00 C ATOM 0 H VAL A 142 -6.636 2.822 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.031 0.476 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.480 3.447 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.818 2.803 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.679 2.081 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.374 1.085 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.132 3.174 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.677 1.460 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.494 2.732 -3.785 1.00 0.00 H new ATOM 976 N LYS A 143 -6.560 2.234 -8.068 1.00 0.00 N ATOM 977 CA LYS A 143 -6.140 2.200 -9.472 1.00 0.00 C ATOM 978 C LYS A 143 -5.279 0.969 -9.785 1.00 0.00 C ATOM 979 O LYS A 143 -5.535 0.260 -10.759 1.00 0.00 O ATOM 980 CB LYS A 143 -5.332 3.467 -9.779 1.00 0.00 C ATOM 981 CG LYS A 143 -5.191 3.657 -11.290 1.00 0.00 C ATOM 982 CD LYS A 143 -4.472 4.982 -11.569 1.00 0.00 C ATOM 983 CE LYS A 143 -4.340 5.186 -13.079 1.00 0.00 C ATOM 984 NZ LYS A 143 -3.668 6.490 -13.343 1.00 0.00 N ATOM 0 H LYS A 143 -6.214 3.038 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.036 2.147 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.825 4.335 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.345 3.396 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.630 2.828 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.174 3.657 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -5.028 5.809 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.486 4.977 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.764 4.372 -13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -5.324 5.170 -13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -3.577 6.632 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -4.235 7.261 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.723 6.488 -12.908 1.00 0.00 H new ATOM 998 N VAL A 144 -4.258 0.721 -8.962 1.00 0.00 N ATOM 999 CA VAL A 144 -3.369 -0.424 -9.172 1.00 0.00 C ATOM 1000 C VAL A 144 -4.061 -1.740 -8.820 1.00 0.00 C ATOM 1001 O VAL A 144 -3.961 -2.723 -9.554 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.116 -0.261 -8.308 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.523 -0.168 -6.837 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.187 -1.462 -8.503 1.00 0.00 C ATOM 0 H VAL A 144 -4.027 1.293 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.098 -0.454 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.593 0.648 -8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.632 -0.052 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.178 0.692 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.049 -1.077 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.298 -1.338 -7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.707 -2.375 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.894 -1.529 -9.551 1.00 0.00 H new ATOM 1014 N MET A 145 -4.746 -1.759 -7.681 1.00 0.00 N ATOM 1015 CA MET A 145 -5.430 -2.968 -7.234 1.00 0.00 C ATOM 1016 C MET A 145 -6.521 -3.371 -8.215 1.00 0.00 C ATOM 1017 O MET A 145 -6.613 -4.530 -8.622 1.00 0.00 O ATOM 1018 CB MET A 145 -6.051 -2.737 -5.853 1.00 0.00 C ATOM 1019 CG MET A 145 -6.721 -4.033 -5.335 1.00 0.00 C ATOM 1020 SD MET A 145 -6.360 -4.250 -3.571 1.00 0.00 S ATOM 1021 CE MET A 145 -4.910 -5.320 -3.767 1.00 0.00 C ATOM 0 H MET A 145 -4.842 -0.959 -7.055 1.00 0.00 H new ATOM 0 HA MET A 145 -4.695 -3.771 -7.178 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.282 -2.413 -5.152 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.789 -1.937 -5.909 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.799 -3.984 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.356 -4.892 -5.898 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.516 -5.582 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.197 -6.228 -4.297 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.144 -4.794 -4.336 1.00 0.00 H new ATOM 1031 N MET A 146 -7.349 -2.407 -8.583 1.00 0.00 N ATOM 1032 CA MET A 146 -8.442 -2.667 -9.518 1.00 0.00 C ATOM 1033 C MET A 146 -7.895 -3.046 -10.894 1.00 0.00 C ATOM 1034 O MET A 146 -8.341 -4.020 -11.502 1.00 0.00 O ATOM 1035 CB MET A 146 -9.333 -1.428 -9.640 1.00 0.00 C ATOM 1036 CG MET A 146 -10.597 -1.773 -10.435 1.00 0.00 C ATOM 1037 SD MET A 146 -11.650 -2.862 -9.445 1.00 0.00 S ATOM 1038 CE MET A 146 -12.616 -1.563 -8.634 1.00 0.00 C ATOM 0 H MET A 146 -7.290 -1.443 -8.254 1.00 0.00 H new ATOM 0 HA MET A 146 -9.032 -3.500 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.604 -1.065 -8.649 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.788 -0.625 -10.136 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.138 -0.862 -10.693 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.329 -2.261 -11.372 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.344 -2.017 -7.962 1.00 0.00 H new ATOM 0 HE2 MET A 146 -11.949 -0.916 -8.063 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.137 -0.972 -9.388 1.00 0.00 H new