USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=10 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 Single : A 81 SER OG : rot 28:sc= 0.0362 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.17 (180deg=-0.879) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 97 ASN : amide:sc= -0.389 K(o=-0.39,f=-2) USER MOD Single : A 101 SER OG : rot -158:sc= -0.827 USER MOD Single : A 107 HIS : no HE2:sc= -0.497! C(o=-0.5!,f=-6.8!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 111 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.66) USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.013) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 124 MET CE :methyl 164:sc= -0.843 (180deg=-1.4) USER MOD Single : A 135 GLN : amide:sc= -0.758 K(o=-0.76,f=-1.4) USER MOD Single : A 137 ASN : amide:sc= 0.405 K(o=0.41,f=-0.28) USER MOD Single : A 138 TYR OH : rot 179:sc= 0.349 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 152:sc= -2.16 (180deg=-3.03) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -18.472 -4.614 -1.943 1.00 0.00 N ATOM 16 CA SER A 81 -17.158 -5.022 -2.427 1.00 0.00 C ATOM 17 C SER A 81 -16.127 -3.936 -2.126 1.00 0.00 C ATOM 18 O SER A 81 -15.022 -4.218 -1.652 1.00 0.00 O ATOM 19 CB SER A 81 -17.207 -5.269 -3.935 1.00 0.00 C ATOM 20 OG SER A 81 -18.050 -6.383 -4.202 1.00 0.00 O ATOM 0 HA SER A 81 -16.872 -5.943 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.582 -4.383 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.204 -5.458 -4.317 1.00 0.00 H new ATOM 0 HG SER A 81 -18.722 -6.462 -3.493 1.00 0.00 H new ATOM 26 N GLU A 82 -16.502 -2.692 -2.403 1.00 0.00 N ATOM 27 CA GLU A 82 -15.615 -1.560 -2.161 1.00 0.00 C ATOM 28 C GLU A 82 -15.277 -1.445 -0.676 1.00 0.00 C ATOM 29 O GLU A 82 -14.163 -1.064 -0.319 1.00 0.00 O ATOM 30 CB GLU A 82 -16.281 -0.260 -2.659 1.00 0.00 C ATOM 31 CG GLU A 82 -15.893 0.011 -4.116 1.00 0.00 C ATOM 32 CD GLU A 82 -14.424 0.411 -4.188 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.014 1.229 -3.379 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.730 -0.101 -5.049 1.00 0.00 O ATOM 0 H GLU A 82 -17.411 -2.442 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.687 -1.720 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.364 -0.342 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.974 0.577 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.068 -0.879 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.517 0.804 -4.528 1.00 0.00 H new ATOM 41 N GLU A 83 -16.234 -1.766 0.182 1.00 0.00 N ATOM 42 CA GLU A 83 -15.998 -1.681 1.618 1.00 0.00 C ATOM 43 C GLU A 83 -14.860 -2.613 2.018 1.00 0.00 C ATOM 44 O GLU A 83 -14.012 -2.259 2.837 1.00 0.00 O ATOM 45 CB GLU A 83 -17.273 -2.063 2.373 1.00 0.00 C ATOM 46 CG GLU A 83 -17.085 -1.808 3.870 1.00 0.00 C ATOM 47 CD GLU A 83 -18.373 -2.135 4.615 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.398 -2.255 3.964 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.318 -2.259 5.828 1.00 0.00 O ATOM 0 H GLU A 83 -17.167 -2.083 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.721 -0.658 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.116 -1.482 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.508 -3.113 2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.268 -2.419 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.811 -0.767 4.039 1.00 0.00 H new ATOM 56 N GLU A 84 -14.843 -3.801 1.426 1.00 0.00 N ATOM 57 CA GLU A 84 -13.795 -4.780 1.728 1.00 0.00 C ATOM 58 C GLU A 84 -12.447 -4.274 1.236 1.00 0.00 C ATOM 59 O GLU A 84 -11.427 -4.438 1.901 1.00 0.00 O ATOM 60 CB GLU A 84 -14.127 -6.137 1.073 1.00 0.00 C ATOM 61 CG GLU A 84 -15.635 -6.224 0.872 1.00 0.00 C ATOM 62 CD GLU A 84 -16.066 -7.660 0.600 1.00 0.00 C ATOM 63 OE1 GLU A 84 -15.267 -8.553 0.822 1.00 0.00 O ATOM 64 OE2 GLU A 84 -17.196 -7.847 0.179 1.00 0.00 O ATOM 0 H GLU A 84 -15.532 -4.112 0.741 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.745 -4.917 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.612 -6.232 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.782 -6.956 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.146 -5.849 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.932 -5.587 0.039 1.00 0.00 H new ATOM 71 N LEU A 85 -12.450 -3.658 0.064 1.00 0.00 N ATOM 72 CA LEU A 85 -11.208 -3.131 -0.498 1.00 0.00 C ATOM 73 C LEU A 85 -10.620 -2.082 0.438 1.00 0.00 C ATOM 74 O LEU A 85 -9.416 -2.067 0.699 1.00 0.00 O ATOM 75 CB LEU A 85 -11.487 -2.500 -1.868 1.00 0.00 C ATOM 76 CG LEU A 85 -10.219 -1.869 -2.450 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.085 -2.907 -2.517 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.521 -1.350 -3.861 1.00 0.00 C ATOM 0 H LEU A 85 -13.280 -3.510 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.495 -3.947 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.866 -3.259 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.264 -1.741 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.902 -1.047 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.191 -2.443 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.869 -3.276 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.390 -3.739 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.623 -0.899 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.842 -2.178 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.313 -0.603 -3.812 1.00 0.00 H new ATOM 90 N LYS A 86 -11.485 -1.216 0.943 1.00 0.00 N ATOM 91 CA LYS A 86 -11.063 -0.164 1.862 1.00 0.00 C ATOM 92 C LYS A 86 -10.548 -0.763 3.169 1.00 0.00 C ATOM 93 O LYS A 86 -9.632 -0.221 3.787 1.00 0.00 O ATOM 94 CB LYS A 86 -12.218 0.797 2.121 1.00 0.00 C ATOM 95 CG LYS A 86 -12.515 1.558 0.828 1.00 0.00 C ATOM 96 CD LYS A 86 -13.609 2.606 1.057 1.00 0.00 C ATOM 97 CE LYS A 86 -14.964 1.926 1.271 1.00 0.00 C ATOM 98 NZ LYS A 86 -16.048 2.935 1.120 1.00 0.00 N ATOM 0 H LYS A 86 -12.483 -1.219 0.734 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.245 0.393 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.101 0.248 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.960 1.493 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.608 2.044 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.830 0.859 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.360 3.217 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.663 3.277 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.098 1.120 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.006 1.476 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.971 2.478 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.921 3.689 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.011 3.344 0.165 1.00 0.00 H new ATOM 112 N GLU A 87 -11.104 -1.908 3.560 1.00 0.00 N ATOM 113 CA GLU A 87 -10.628 -2.574 4.770 1.00 0.00 C ATOM 114 C GLU A 87 -9.186 -3.007 4.534 1.00 0.00 C ATOM 115 O GLU A 87 -8.314 -2.813 5.382 1.00 0.00 O ATOM 116 CB GLU A 87 -11.500 -3.783 5.116 1.00 0.00 C ATOM 117 CG GLU A 87 -12.833 -3.306 5.698 1.00 0.00 C ATOM 118 CD GLU A 87 -13.761 -4.496 5.923 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.346 -5.608 5.638 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.872 -4.278 6.376 1.00 0.00 O ATOM 0 H GLU A 87 -11.863 -2.383 3.072 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.684 -1.885 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.676 -4.384 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.986 -4.421 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.662 -2.785 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.301 -2.593 5.019 1.00 0.00 H new ATOM 127 N ALA A 88 -8.948 -3.575 3.354 1.00 0.00 N ATOM 128 CA ALA A 88 -7.608 -4.011 2.976 1.00 0.00 C ATOM 129 C ALA A 88 -6.669 -2.814 3.008 1.00 0.00 C ATOM 130 O ALA A 88 -5.545 -2.897 3.500 1.00 0.00 O ATOM 131 CB ALA A 88 -7.633 -4.617 1.574 1.00 0.00 C ATOM 0 H ALA A 88 -9.663 -3.743 2.646 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.258 -4.769 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.629 -4.940 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.306 -5.474 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.982 -3.870 0.861 1.00 0.00 H new ATOM 137 N PHE A 89 -7.151 -1.693 2.497 1.00 0.00 N ATOM 138 CA PHE A 89 -6.371 -0.466 2.491 1.00 0.00 C ATOM 139 C PHE A 89 -6.034 -0.046 3.922 1.00 0.00 C ATOM 140 O PHE A 89 -4.901 0.333 4.220 1.00 0.00 O ATOM 141 CB PHE A 89 -7.160 0.629 1.785 1.00 0.00 C ATOM 142 CG PHE A 89 -6.480 1.950 2.002 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.384 2.315 1.216 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.939 2.794 3.011 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.745 3.533 1.444 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.303 4.014 3.240 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.204 4.382 2.457 1.00 0.00 C ATOM 0 H PHE A 89 -8.078 -1.607 2.081 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.436 -0.634 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.229 0.413 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.179 0.664 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.033 1.656 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.786 2.504 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.897 3.821 0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.658 4.672 4.019 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.708 5.325 2.635 1.00 0.00 H new ATOM 157 N ARG A 90 -7.030 -0.111 4.797 1.00 0.00 N ATOM 158 CA ARG A 90 -6.847 0.263 6.192 1.00 0.00 C ATOM 159 C ARG A 90 -5.801 -0.633 6.851 1.00 0.00 C ATOM 160 O ARG A 90 -5.021 -0.183 7.692 1.00 0.00 O ATOM 161 CB ARG A 90 -8.179 0.138 6.928 1.00 0.00 C ATOM 162 CG ARG A 90 -8.062 0.755 8.320 1.00 0.00 C ATOM 163 CD ARG A 90 -9.345 0.467 9.099 1.00 0.00 C ATOM 164 NE ARG A 90 -10.503 0.944 8.346 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.965 2.186 8.491 1.00 0.00 C ATOM 166 NH1 ARG A 90 -10.210 3.204 8.188 1.00 0.00 N ATOM 167 NH2 ARG A 90 -12.176 2.381 8.936 1.00 0.00 N ATOM 0 H ARG A 90 -7.974 -0.420 4.564 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.498 1.295 6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.965 0.639 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.463 -0.911 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.201 0.340 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.901 1.830 8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.436 -0.603 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.307 0.956 10.072 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.968 0.312 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.264 3.051 7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.565 4.154 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.767 1.584 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.532 3.330 9.048 1.00 0.00 H new ATOM 181 N VAL A 91 -5.773 -1.897 6.438 1.00 0.00 N ATOM 182 CA VAL A 91 -4.798 -2.850 6.966 1.00 0.00 C ATOM 183 C VAL A 91 -3.392 -2.439 6.535 1.00 0.00 C ATOM 184 O VAL A 91 -2.447 -2.465 7.325 1.00 0.00 O ATOM 185 CB VAL A 91 -5.098 -4.258 6.432 1.00 0.00 C ATOM 186 CG1 VAL A 91 -3.943 -5.210 6.771 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.393 -4.781 7.059 1.00 0.00 C ATOM 0 H VAL A 91 -6.410 -2.285 5.743 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.862 -2.854 8.054 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.211 -4.208 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.167 -6.205 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.024 -4.844 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.817 -5.258 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.604 -5.780 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.282 -4.821 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.216 -4.114 6.803 1.00 0.00 H new ATOM 197 N PHE A 92 -3.272 -2.078 5.262 1.00 0.00 N ATOM 198 CA PHE A 92 -1.994 -1.679 4.687 1.00 0.00 C ATOM 199 C PHE A 92 -1.428 -0.431 5.359 1.00 0.00 C ATOM 200 O PHE A 92 -0.220 -0.327 5.574 1.00 0.00 O ATOM 201 CB PHE A 92 -2.163 -1.393 3.184 1.00 0.00 C ATOM 202 CG PHE A 92 -2.202 -2.682 2.385 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.093 -3.534 2.371 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.339 -3.012 1.637 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.126 -4.712 1.617 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.371 -4.181 0.883 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.266 -5.036 0.872 1.00 0.00 C ATOM 0 H PHE A 92 -4.052 -2.054 4.605 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.298 -2.503 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.082 -0.831 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.340 -0.769 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.211 -3.283 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.196 -2.355 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.271 -5.372 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.250 -4.428 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.291 -5.945 0.290 1.00 0.00 H new ATOM 217 N ASP A 93 -2.293 0.530 5.641 1.00 0.00 N ATOM 218 CA ASP A 93 -1.853 1.791 6.235 1.00 0.00 C ATOM 219 C ASP A 93 -1.770 1.711 7.762 1.00 0.00 C ATOM 220 O ASP A 93 -2.702 2.098 8.467 1.00 0.00 O ATOM 221 CB ASP A 93 -2.822 2.899 5.816 1.00 0.00 C ATOM 222 CG ASP A 93 -2.145 4.258 5.922 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.033 4.309 6.420 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.760 5.235 5.524 1.00 0.00 O ATOM 0 H ASP A 93 -3.297 0.466 5.471 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.848 2.009 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.158 2.731 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.708 2.876 6.450 1.00 0.00 H new ATOM 229 N LYS A 94 -0.636 1.214 8.260 1.00 0.00 N ATOM 230 CA LYS A 94 -0.423 1.093 9.691 1.00 0.00 C ATOM 231 C LYS A 94 -0.433 2.468 10.342 1.00 0.00 C ATOM 232 O LYS A 94 -1.139 2.700 11.327 1.00 0.00 O ATOM 233 CB LYS A 94 0.925 0.439 9.950 1.00 0.00 C ATOM 234 CG LYS A 94 1.050 0.141 11.438 1.00 0.00 C ATOM 235 CD LYS A 94 2.379 -0.577 11.730 1.00 0.00 C ATOM 236 CE LYS A 94 2.210 -2.091 11.557 1.00 0.00 C ATOM 237 NZ LYS A 94 1.265 -2.605 12.586 1.00 0.00 N ATOM 0 H LYS A 94 0.144 0.891 7.688 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.223 0.485 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.015 -0.481 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.732 1.098 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.998 1.069 12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.215 -0.479 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.154 -0.211 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.706 -0.354 12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.834 -2.314 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.175 -2.589 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.500 -3.593 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.341 -2.026 13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.293 -2.555 12.220 1.00 0.00 H new ATOM 251 N ASP A 95 0.337 3.386 9.754 1.00 0.00 N ATOM 252 CA ASP A 95 0.402 4.751 10.248 1.00 0.00 C ATOM 253 C ASP A 95 -0.948 5.373 10.053 1.00 0.00 C ATOM 254 O ASP A 95 -1.381 6.173 10.890 1.00 0.00 O ATOM 255 CB ASP A 95 1.406 5.572 9.482 1.00 0.00 C ATOM 256 CG ASP A 95 2.679 4.785 9.292 1.00 0.00 C ATOM 257 OD1 ASP A 95 3.114 4.154 10.241 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.193 4.815 8.189 1.00 0.00 O ATOM 0 H ASP A 95 0.921 3.204 8.938 1.00 0.00 H new ATOM 0 HA ASP A 95 0.700 4.729 11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.994 5.853 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.617 6.497 10.019 1.00 0.00 H new ATOM 263 N GLN A 96 -1.624 4.982 8.949 1.00 0.00 N ATOM 264 CA GLN A 96 -2.971 5.467 8.679 1.00 0.00 C ATOM 265 C GLN A 96 -3.010 6.964 8.444 1.00 0.00 C ATOM 266 O GLN A 96 -3.794 7.697 9.038 1.00 0.00 O ATOM 267 CB GLN A 96 -3.806 4.998 9.861 1.00 0.00 C ATOM 268 CG GLN A 96 -5.240 5.549 9.849 1.00 0.00 C ATOM 269 CD GLN A 96 -5.569 6.320 11.157 1.00 0.00 C ATOM 270 OE1 GLN A 96 -5.780 7.521 11.121 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.542 5.701 12.318 1.00 0.00 N ATOM 0 H GLN A 96 -1.254 4.341 8.247 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.374 5.068 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.843 3.909 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.316 5.301 10.786 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.368 6.212 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.945 4.727 9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.366 4.697 12.357 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.697 6.225 13.179 1.00 0.00 H new ATOM 280 N ASN A 97 -2.140 7.407 7.544 1.00 0.00 N ATOM 281 CA ASN A 97 -2.046 8.818 7.182 1.00 0.00 C ATOM 282 C ASN A 97 -2.844 9.076 5.915 1.00 0.00 C ATOM 283 O ASN A 97 -2.770 10.154 5.326 1.00 0.00 O ATOM 284 CB ASN A 97 -0.584 9.193 6.927 1.00 0.00 C ATOM 285 CG ASN A 97 0.243 9.020 8.194 1.00 0.00 C ATOM 286 OD1 ASN A 97 1.198 8.242 8.212 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.064 9.712 9.254 1.00 0.00 N ATOM 0 H ASN A 97 -1.484 6.804 7.047 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.444 9.418 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.176 8.569 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.522 10.226 6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.488 9.612 10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.856 10.354 9.232 1.00 0.00 H new ATOM 294 N GLY A 98 -3.586 8.060 5.498 1.00 0.00 N ATOM 295 CA GLY A 98 -4.392 8.145 4.282 1.00 0.00 C ATOM 296 C GLY A 98 -3.618 7.595 3.088 1.00 0.00 C ATOM 297 O GLY A 98 -4.162 7.463 1.991 1.00 0.00 O ATOM 0 H GLY A 98 -3.649 7.165 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.318 7.584 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.671 9.182 4.095 1.00 0.00 H new ATOM 301 N PHE A 99 -2.341 7.276 3.309 1.00 0.00 N ATOM 302 CA PHE A 99 -1.483 6.728 2.252 1.00 0.00 C ATOM 303 C PHE A 99 -0.799 5.459 2.747 1.00 0.00 C ATOM 304 O PHE A 99 -0.806 5.172 3.941 1.00 0.00 O ATOM 305 CB PHE A 99 -0.411 7.749 1.835 1.00 0.00 C ATOM 306 CG PHE A 99 -0.944 9.145 2.002 1.00 0.00 C ATOM 307 CD1 PHE A 99 -2.120 9.509 1.354 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.256 10.077 2.786 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.624 10.797 1.478 1.00 0.00 C ATOM 310 CE2 PHE A 99 -0.755 11.378 2.916 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.942 11.741 2.260 1.00 0.00 C ATOM 0 H PHE A 99 -1.876 7.387 4.210 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.109 6.500 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.485 7.617 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.121 7.582 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.645 8.784 0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.657 9.794 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.539 11.071 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.228 12.102 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.329 12.745 2.357 1.00 0.00 H new ATOM 321 N ILE A 100 -0.152 4.740 1.834 1.00 0.00 N ATOM 322 CA ILE A 100 0.594 3.536 2.197 1.00 0.00 C ATOM 323 C ILE A 100 2.053 3.758 1.853 1.00 0.00 C ATOM 324 O ILE A 100 2.387 4.108 0.725 1.00 0.00 O ATOM 325 CB ILE A 100 0.064 2.308 1.457 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.405 2.095 1.835 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.877 1.082 1.884 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.048 1.097 0.870 1.00 0.00 C ATOM 0 H ILE A 100 -0.128 4.968 0.840 1.00 0.00 H new ATOM 0 HA ILE A 100 0.476 3.351 3.265 1.00 0.00 H new ATOM 0 HB ILE A 100 0.151 2.453 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.477 1.724 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.940 3.044 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.507 0.200 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.927 1.237 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.777 0.935 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.093 0.949 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.990 1.485 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.520 0.145 0.926 1.00 0.00 H new ATOM 340 N SER A 101 2.908 3.569 2.845 1.00 0.00 N ATOM 341 CA SER A 101 4.346 3.764 2.668 1.00 0.00 C ATOM 342 C SER A 101 5.065 2.434 2.575 1.00 0.00 C ATOM 343 O SER A 101 4.613 1.434 3.132 1.00 0.00 O ATOM 344 CB SER A 101 4.905 4.562 3.849 1.00 0.00 C ATOM 345 OG SER A 101 5.178 3.673 4.926 1.00 0.00 O ATOM 0 H SER A 101 2.635 3.280 3.784 1.00 0.00 H new ATOM 0 HA SER A 101 4.507 4.312 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.815 5.084 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.189 5.322 4.161 1.00 0.00 H new ATOM 0 HG SER A 101 5.195 4.174 5.768 1.00 0.00 H new ATOM 351 N ALA A 102 6.207 2.427 1.892 1.00 0.00 N ATOM 352 CA ALA A 102 6.986 1.206 1.773 1.00 0.00 C ATOM 353 C ALA A 102 7.207 0.660 3.170 1.00 0.00 C ATOM 354 O ALA A 102 7.151 -0.546 3.407 1.00 0.00 O ATOM 355 CB ALA A 102 8.332 1.496 1.106 1.00 0.00 C ATOM 0 H ALA A 102 6.605 3.240 1.421 1.00 0.00 H new ATOM 0 HA ALA A 102 6.455 0.480 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.904 0.572 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.164 1.908 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.889 2.215 1.707 1.00 0.00 H new ATOM 361 N ALA A 103 7.432 1.583 4.103 1.00 0.00 N ATOM 362 CA ALA A 103 7.633 1.223 5.495 1.00 0.00 C ATOM 363 C ALA A 103 6.445 0.402 5.979 1.00 0.00 C ATOM 364 O ALA A 103 6.607 -0.694 6.514 1.00 0.00 O ATOM 365 CB ALA A 103 7.756 2.502 6.332 1.00 0.00 C ATOM 0 H ALA A 103 7.479 2.584 3.915 1.00 0.00 H new ATOM 0 HA ALA A 103 8.544 0.633 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.907 2.239 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.605 3.088 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.844 3.090 6.234 1.00 0.00 H new ATOM 371 N GLU A 104 5.251 0.941 5.771 1.00 0.00 N ATOM 372 CA GLU A 104 4.038 0.264 6.166 1.00 0.00 C ATOM 373 C GLU A 104 3.887 -1.024 5.374 1.00 0.00 C ATOM 374 O GLU A 104 3.543 -2.069 5.920 1.00 0.00 O ATOM 375 CB GLU A 104 2.851 1.180 5.890 1.00 0.00 C ATOM 376 CG GLU A 104 2.900 2.383 6.831 1.00 0.00 C ATOM 377 CD GLU A 104 1.754 3.332 6.513 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.554 3.615 5.345 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.096 3.767 7.442 1.00 0.00 O ATOM 0 H GLU A 104 5.104 1.848 5.329 1.00 0.00 H new ATOM 0 HA GLU A 104 4.079 0.022 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.872 1.516 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.918 0.634 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.832 2.050 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.853 2.901 6.725 1.00 0.00 H new ATOM 386 N LEU A 105 4.155 -0.935 4.079 1.00 0.00 N ATOM 387 CA LEU A 105 4.052 -2.090 3.202 1.00 0.00 C ATOM 388 C LEU A 105 5.072 -3.152 3.611 1.00 0.00 C ATOM 389 O LEU A 105 4.802 -4.350 3.532 1.00 0.00 O ATOM 390 CB LEU A 105 4.278 -1.642 1.746 1.00 0.00 C ATOM 391 CG LEU A 105 3.659 -2.657 0.742 1.00 0.00 C ATOM 392 CD1 LEU A 105 3.164 -1.917 -0.508 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.714 -3.690 0.320 1.00 0.00 C ATOM 0 H LEU A 105 4.445 -0.075 3.614 1.00 0.00 H new ATOM 0 HA LEU A 105 3.058 -2.529 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.834 -0.658 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.347 -1.543 1.555 1.00 0.00 H new ATOM 0 HG LEU A 105 2.825 -3.163 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.732 -2.633 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.407 -1.186 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.001 -1.406 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.271 -4.396 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.552 -3.181 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.069 -4.228 1.199 1.00 0.00 H new ATOM 405 N ARG A 106 6.236 -2.700 4.074 1.00 0.00 N ATOM 406 CA ARG A 106 7.270 -3.614 4.519 1.00 0.00 C ATOM 407 C ARG A 106 6.816 -4.336 5.786 1.00 0.00 C ATOM 408 O ARG A 106 6.989 -5.548 5.924 1.00 0.00 O ATOM 409 CB ARG A 106 8.550 -2.834 4.804 1.00 0.00 C ATOM 410 CG ARG A 106 9.663 -3.806 5.176 1.00 0.00 C ATOM 411 CD ARG A 106 10.946 -3.030 5.440 1.00 0.00 C ATOM 412 NE ARG A 106 10.812 -2.213 6.642 1.00 0.00 N ATOM 413 CZ ARG A 106 11.809 -1.441 7.063 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.461 -0.692 6.215 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.141 -1.435 8.326 1.00 0.00 N ATOM 0 H ARG A 106 6.480 -1.712 4.148 1.00 0.00 H new ATOM 0 HA ARG A 106 7.459 -4.350 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.838 -2.253 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.384 -2.126 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.382 -4.377 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.818 -4.524 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.780 -3.723 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.176 -2.394 4.585 1.00 0.00 H new ATOM 0 HE ARG A 106 9.938 -2.235 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.206 -0.699 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.226 -0.100 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.635 -2.023 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.906 -0.843 8.649 1.00 0.00 H new ATOM 429 N HIS A 107 6.232 -3.574 6.708 1.00 0.00 N ATOM 430 CA HIS A 107 5.753 -4.131 7.967 1.00 0.00 C ATOM 431 C HIS A 107 4.581 -5.081 7.733 1.00 0.00 C ATOM 432 O HIS A 107 4.502 -6.147 8.341 1.00 0.00 O ATOM 433 CB HIS A 107 5.321 -2.997 8.902 1.00 0.00 C ATOM 434 CG HIS A 107 6.539 -2.271 9.412 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.965 -1.069 8.869 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.434 -2.571 10.409 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.072 -0.692 9.538 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.400 -1.572 10.487 1.00 0.00 N ATOM 0 H HIS A 107 6.080 -2.571 6.605 1.00 0.00 H new ATOM 0 HA HIS A 107 6.566 -4.695 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.667 -2.304 8.372 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.748 -3.399 9.738 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.521 -0.562 8.103 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.394 -3.449 11.037 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.626 0.212 9.332 1.00 0.00 H new ATOM 446 N VAL A 108 3.674 -4.691 6.846 1.00 0.00 N ATOM 447 CA VAL A 108 2.514 -5.520 6.536 1.00 0.00 C ATOM 448 C VAL A 108 2.973 -6.815 5.870 1.00 0.00 C ATOM 449 O VAL A 108 2.509 -7.903 6.214 1.00 0.00 O ATOM 450 CB VAL A 108 1.563 -4.737 5.621 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.374 -5.618 5.224 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.057 -3.480 6.364 1.00 0.00 C ATOM 0 H VAL A 108 3.718 -3.812 6.331 1.00 0.00 H new ATOM 0 HA VAL A 108 1.982 -5.777 7.452 1.00 0.00 H new ATOM 0 HB VAL A 108 2.096 -4.437 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.296 -5.054 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.735 -6.500 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.165 -5.928 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.381 -2.922 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.528 -3.780 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.905 -2.850 6.632 1.00 0.00 H new ATOM 462 N MET A 109 3.906 -6.688 4.931 1.00 0.00 N ATOM 463 CA MET A 109 4.451 -7.850 4.234 1.00 0.00 C ATOM 464 C MET A 109 5.199 -8.740 5.228 1.00 0.00 C ATOM 465 O MET A 109 5.275 -9.956 5.058 1.00 0.00 O ATOM 466 CB MET A 109 5.399 -7.397 3.113 1.00 0.00 C ATOM 467 CG MET A 109 4.588 -6.962 1.887 1.00 0.00 C ATOM 468 SD MET A 109 3.818 -8.413 1.124 1.00 0.00 S ATOM 469 CE MET A 109 2.688 -7.525 0.023 1.00 0.00 C ATOM 0 H MET A 109 4.300 -5.795 4.635 1.00 0.00 H new ATOM 0 HA MET A 109 3.633 -8.418 3.790 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.019 -6.571 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.073 -8.210 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.823 -6.243 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.236 -6.461 1.168 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.104 -8.242 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.017 -6.903 0.615 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.262 -6.895 -0.656 1.00 0.00 H new ATOM 479 N THR A 110 5.731 -8.119 6.278 1.00 0.00 N ATOM 480 CA THR A 110 6.445 -8.856 7.316 1.00 0.00 C ATOM 481 C THR A 110 5.460 -9.639 8.186 1.00 0.00 C ATOM 482 O THR A 110 5.698 -10.798 8.526 1.00 0.00 O ATOM 483 CB THR A 110 7.261 -7.894 8.182 1.00 0.00 C ATOM 484 OG1 THR A 110 8.262 -7.279 7.384 1.00 0.00 O ATOM 485 CG2 THR A 110 7.917 -8.661 9.334 1.00 0.00 C ATOM 0 H THR A 110 5.681 -7.112 6.432 1.00 0.00 H new ATOM 0 HA THR A 110 7.124 -9.560 6.836 1.00 0.00 H new ATOM 0 HB THR A 110 6.603 -7.129 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.919 -6.436 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.497 -7.971 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.146 -9.129 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.576 -9.429 8.931 1.00 0.00 H new ATOM 493 N ASN A 111 4.343 -8.997 8.525 1.00 0.00 N ATOM 494 CA ASN A 111 3.310 -9.636 9.341 1.00 0.00 C ATOM 495 C ASN A 111 2.762 -10.847 8.597 1.00 0.00 C ATOM 496 O ASN A 111 2.481 -11.895 9.181 1.00 0.00 O ATOM 497 CB ASN A 111 2.166 -8.648 9.590 1.00 0.00 C ATOM 498 CG ASN A 111 2.622 -7.515 10.504 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.339 -7.750 11.477 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.245 -6.293 10.244 1.00 0.00 N ATOM 0 H ASN A 111 4.130 -8.038 8.249 1.00 0.00 H new ATOM 0 HA ASN A 111 3.742 -9.945 10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.819 -8.239 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.321 -9.168 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.544 -5.528 10.848 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.651 -6.103 9.437 1.00 0.00 H new ATOM 507 N LEU A 112 2.616 -10.663 7.296 1.00 0.00 N ATOM 508 CA LEU A 112 2.106 -11.688 6.397 1.00 0.00 C ATOM 509 C LEU A 112 3.002 -12.935 6.407 1.00 0.00 C ATOM 510 O LEU A 112 2.523 -14.066 6.483 1.00 0.00 O ATOM 511 CB LEU A 112 2.070 -11.044 5.008 1.00 0.00 C ATOM 512 CG LEU A 112 1.753 -12.056 3.914 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.527 -12.889 4.284 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.478 -11.290 2.615 1.00 0.00 C ATOM 0 H LEU A 112 2.851 -9.788 6.827 1.00 0.00 H new ATOM 0 HA LEU A 112 1.117 -12.028 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.322 -10.252 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.033 -10.577 4.801 1.00 0.00 H new ATOM 0 HG LEU A 112 2.599 -12.732 3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.320 -13.605 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.718 -13.425 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.333 -12.232 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.249 -11.997 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.631 -10.619 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.359 -10.708 2.342 1.00 0.00 H new ATOM 526 N GLY A 113 4.306 -12.706 6.330 1.00 0.00 N ATOM 527 CA GLY A 113 5.281 -13.799 6.320 1.00 0.00 C ATOM 528 C GLY A 113 5.703 -14.084 4.889 1.00 0.00 C ATOM 529 O GLY A 113 6.115 -15.190 4.542 1.00 0.00 O ATOM 0 H GLY A 113 4.718 -11.774 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.150 -13.531 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.847 -14.693 6.768 1.00 0.00 H new ATOM 533 N GLU A 114 5.611 -13.038 4.081 1.00 0.00 N ATOM 534 CA GLU A 114 5.989 -13.084 2.677 1.00 0.00 C ATOM 535 C GLU A 114 6.843 -11.860 2.380 1.00 0.00 C ATOM 536 O GLU A 114 6.334 -10.834 1.931 1.00 0.00 O ATOM 537 CB GLU A 114 4.739 -13.064 1.797 1.00 0.00 C ATOM 538 CG GLU A 114 3.947 -14.360 1.995 1.00 0.00 C ATOM 539 CD GLU A 114 2.682 -14.331 1.141 1.00 0.00 C ATOM 540 OE1 GLU A 114 2.527 -13.390 0.379 1.00 0.00 O ATOM 541 OE2 GLU A 114 1.888 -15.249 1.258 1.00 0.00 O ATOM 0 H GLU A 114 5.269 -12.126 4.384 1.00 0.00 H new ATOM 0 HA GLU A 114 6.545 -13.998 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.118 -12.205 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.021 -12.956 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.562 -15.218 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.684 -14.479 3.046 1.00 0.00 H new ATOM 548 N LYS A 115 8.138 -11.960 2.670 1.00 0.00 N ATOM 549 CA LYS A 115 9.052 -10.839 2.462 1.00 0.00 C ATOM 550 C LYS A 115 9.636 -10.874 1.058 1.00 0.00 C ATOM 551 O LYS A 115 9.972 -11.938 0.541 1.00 0.00 O ATOM 552 CB LYS A 115 10.191 -10.909 3.477 1.00 0.00 C ATOM 553 CG LYS A 115 9.615 -11.103 4.880 1.00 0.00 C ATOM 554 CD LYS A 115 10.761 -11.222 5.887 1.00 0.00 C ATOM 555 CE LYS A 115 10.202 -11.591 7.263 1.00 0.00 C ATOM 556 NZ LYS A 115 9.933 -13.056 7.307 1.00 0.00 N ATOM 0 H LYS A 115 8.576 -12.800 3.047 1.00 0.00 H new ATOM 0 HA LYS A 115 8.493 -9.912 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.861 -11.733 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.783 -9.994 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.973 -10.262 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.995 -11.999 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.471 -11.980 5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.306 -10.280 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.912 -11.316 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.285 -11.035 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.633 -13.325 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.179 -13.291 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.798 -13.576 7.056 1.00 0.00 H new ATOM 570 N LEU A 116 9.761 -9.697 0.447 1.00 0.00 N ATOM 571 CA LEU A 116 10.316 -9.584 -0.903 1.00 0.00 C ATOM 572 C LEU A 116 11.692 -8.933 -0.838 1.00 0.00 C ATOM 573 O LEU A 116 12.210 -8.654 0.244 1.00 0.00 O ATOM 574 CB LEU A 116 9.414 -8.726 -1.812 1.00 0.00 C ATOM 575 CG LEU A 116 7.926 -9.031 -1.584 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.671 -10.544 -1.708 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.464 -8.505 -0.200 1.00 0.00 C ATOM 0 H LEU A 116 9.486 -8.808 0.864 1.00 0.00 H new ATOM 0 HA LEU A 116 10.384 -10.589 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.603 -7.670 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.668 -8.911 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 116 7.343 -8.518 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.613 -10.749 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.956 -10.881 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.263 -11.075 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.407 -8.731 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.046 -8.987 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.613 -7.426 -0.152 1.00 0.00 H new ATOM 589 N THR A 117 12.266 -8.674 -2.006 1.00 0.00 N ATOM 590 CA THR A 117 13.568 -8.028 -2.080 1.00 0.00 C ATOM 591 C THR A 117 13.397 -6.524 -1.986 1.00 0.00 C ATOM 592 O THR A 117 12.290 -6.002 -2.117 1.00 0.00 O ATOM 593 CB THR A 117 14.256 -8.375 -3.397 1.00 0.00 C ATOM 594 OG1 THR A 117 13.494 -7.860 -4.480 1.00 0.00 O ATOM 595 CG2 THR A 117 14.367 -9.889 -3.521 1.00 0.00 C ATOM 0 H THR A 117 11.852 -8.900 -2.910 1.00 0.00 H new ATOM 0 HA THR A 117 14.182 -8.382 -1.252 1.00 0.00 H new ATOM 0 HB THR A 117 15.253 -7.934 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.937 -8.081 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.858 -10.142 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.952 -10.280 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.370 -10.330 -3.502 1.00 0.00 H new ATOM 603 N ASP A 118 14.496 -5.829 -1.769 1.00 0.00 N ATOM 604 CA ASP A 118 14.463 -4.387 -1.666 1.00 0.00 C ATOM 605 C ASP A 118 13.990 -3.799 -2.993 1.00 0.00 C ATOM 606 O ASP A 118 13.292 -2.786 -3.024 1.00 0.00 O ATOM 607 CB ASP A 118 15.881 -3.897 -1.336 1.00 0.00 C ATOM 608 CG ASP A 118 16.142 -3.952 0.172 1.00 0.00 C ATOM 609 OD1 ASP A 118 15.186 -3.991 0.928 1.00 0.00 O ATOM 610 OD2 ASP A 118 17.304 -3.962 0.547 1.00 0.00 O ATOM 0 H ASP A 118 15.423 -6.241 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 118 13.776 -4.070 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.613 -4.513 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.010 -2.876 -1.694 1.00 0.00 H new ATOM 615 N GLU A 119 14.386 -4.444 -4.081 1.00 0.00 N ATOM 616 CA GLU A 119 14.013 -3.986 -5.414 1.00 0.00 C ATOM 617 C GLU A 119 12.549 -4.292 -5.732 1.00 0.00 C ATOM 618 O GLU A 119 11.883 -3.504 -6.400 1.00 0.00 O ATOM 619 CB GLU A 119 14.913 -4.644 -6.454 1.00 0.00 C ATOM 620 CG GLU A 119 14.720 -3.956 -7.809 1.00 0.00 C ATOM 621 CD GLU A 119 15.277 -2.535 -7.761 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.075 -2.263 -6.877 1.00 0.00 O ATOM 623 OE2 GLU A 119 14.894 -1.740 -8.602 1.00 0.00 O ATOM 0 H GLU A 119 14.964 -5.284 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 119 14.140 -2.904 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.956 -4.574 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.676 -5.705 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.224 -4.526 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.661 -3.931 -8.065 1.00 0.00 H new ATOM 630 N GLU A 120 12.034 -5.418 -5.237 1.00 0.00 N ATOM 631 CA GLU A 120 10.634 -5.754 -5.482 1.00 0.00 C ATOM 632 C GLU A 120 9.753 -4.757 -4.752 1.00 0.00 C ATOM 633 O GLU A 120 8.795 -4.223 -5.310 1.00 0.00 O ATOM 634 CB GLU A 120 10.325 -7.170 -4.987 1.00 0.00 C ATOM 635 CG GLU A 120 10.836 -8.202 -5.995 1.00 0.00 C ATOM 636 CD GLU A 120 9.869 -8.311 -7.173 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.029 -7.436 -7.307 1.00 0.00 O ATOM 638 OE2 GLU A 120 9.984 -9.267 -7.921 1.00 0.00 O ATOM 0 H GLU A 120 12.551 -6.097 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 120 10.440 -5.713 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.793 -7.335 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.251 -7.288 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.825 -7.914 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.942 -9.173 -5.511 1.00 0.00 H new ATOM 645 N VAL A 121 10.097 -4.517 -3.491 1.00 0.00 N ATOM 646 CA VAL A 121 9.351 -3.587 -2.668 1.00 0.00 C ATOM 647 C VAL A 121 9.376 -2.198 -3.309 1.00 0.00 C ATOM 648 O VAL A 121 8.338 -1.570 -3.488 1.00 0.00 O ATOM 649 CB VAL A 121 10.007 -3.535 -1.277 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.486 -2.334 -0.477 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.708 -4.831 -0.512 1.00 0.00 C ATOM 0 H VAL A 121 10.889 -4.956 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 121 8.314 -3.911 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 121 11.084 -3.428 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.962 -2.316 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.719 -1.413 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.406 -2.419 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.175 -4.789 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.630 -4.946 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.106 -5.681 -1.066 1.00 0.00 H new ATOM 661 N ASP A 122 10.571 -1.731 -3.660 1.00 0.00 N ATOM 662 CA ASP A 122 10.717 -0.419 -4.288 1.00 0.00 C ATOM 663 C ASP A 122 10.006 -0.370 -5.642 1.00 0.00 C ATOM 664 O ASP A 122 9.282 0.581 -5.935 1.00 0.00 O ATOM 665 CB ASP A 122 12.201 -0.098 -4.480 1.00 0.00 C ATOM 666 CG ASP A 122 12.358 1.290 -5.095 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.350 1.877 -5.449 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.486 1.744 -5.199 1.00 0.00 O ATOM 0 H ASP A 122 11.446 -2.236 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 122 10.259 0.322 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.718 -0.141 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.663 -0.845 -5.125 1.00 0.00 H new ATOM 673 N GLU A 123 10.223 -1.392 -6.469 1.00 0.00 N ATOM 674 CA GLU A 123 9.602 -1.439 -7.793 1.00 0.00 C ATOM 675 C GLU A 123 8.083 -1.356 -7.685 1.00 0.00 C ATOM 676 O GLU A 123 7.439 -0.635 -8.446 1.00 0.00 O ATOM 677 CB GLU A 123 9.998 -2.737 -8.514 1.00 0.00 C ATOM 678 CG GLU A 123 11.413 -2.597 -9.081 1.00 0.00 C ATOM 679 CD GLU A 123 11.399 -1.658 -10.283 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.340 -1.493 -10.869 1.00 0.00 O ATOM 681 OE2 GLU A 123 12.446 -1.122 -10.603 1.00 0.00 O ATOM 0 H GLU A 123 10.818 -2.191 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 123 9.957 -0.582 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 123 9.954 -3.578 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.292 -2.949 -9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.085 -2.211 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 123 11.794 -3.574 -9.376 1.00 0.00 H new ATOM 688 N MET A 124 7.519 -2.083 -6.733 1.00 0.00 N ATOM 689 CA MET A 124 6.079 -2.068 -6.531 1.00 0.00 C ATOM 690 C MET A 124 5.621 -0.684 -6.087 1.00 0.00 C ATOM 691 O MET A 124 4.617 -0.155 -6.563 1.00 0.00 O ATOM 692 CB MET A 124 5.711 -3.106 -5.467 1.00 0.00 C ATOM 693 CG MET A 124 4.215 -3.030 -5.144 1.00 0.00 C ATOM 694 SD MET A 124 3.647 -4.645 -4.551 1.00 0.00 S ATOM 695 CE MET A 124 4.509 -4.629 -2.959 1.00 0.00 C ATOM 0 H MET A 124 8.033 -2.687 -6.092 1.00 0.00 H new ATOM 0 HA MET A 124 5.581 -2.312 -7.470 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.963 -4.105 -5.822 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.294 -2.932 -4.563 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.033 -2.267 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.654 -2.738 -6.032 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.083 -5.392 -2.307 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.568 -4.836 -3.116 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.396 -3.650 -2.494 1.00 0.00 H new ATOM 705 N ILE A 125 6.392 -0.108 -5.180 1.00 0.00 N ATOM 706 CA ILE A 125 6.117 1.222 -4.650 1.00 0.00 C ATOM 707 C ILE A 125 6.318 2.305 -5.715 1.00 0.00 C ATOM 708 O ILE A 125 5.495 3.212 -5.848 1.00 0.00 O ATOM 709 CB ILE A 125 7.025 1.449 -3.434 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.556 0.548 -2.267 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.041 2.918 -3.016 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.154 0.937 -1.766 1.00 0.00 C ATOM 0 H ILE A 125 7.226 -0.546 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 125 5.073 1.288 -4.345 1.00 0.00 H new ATOM 0 HB ILE A 125 8.046 1.182 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.549 -0.492 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.268 0.620 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.694 3.043 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.410 3.527 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.031 3.233 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.865 0.279 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.166 1.969 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.436 0.839 -2.581 1.00 0.00 H new ATOM 724 N ARG A 126 7.403 2.205 -6.479 1.00 0.00 N ATOM 725 CA ARG A 126 7.674 3.182 -7.533 1.00 0.00 C ATOM 726 C ARG A 126 6.657 3.034 -8.661 1.00 0.00 C ATOM 727 O ARG A 126 6.260 4.013 -9.293 1.00 0.00 O ATOM 728 CB ARG A 126 9.090 3.000 -8.089 1.00 0.00 C ATOM 729 CG ARG A 126 9.389 4.111 -9.103 1.00 0.00 C ATOM 730 CD ARG A 126 10.834 3.983 -9.591 1.00 0.00 C ATOM 731 NE ARG A 126 11.001 2.757 -10.362 1.00 0.00 N ATOM 732 CZ ARG A 126 12.208 2.326 -10.712 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.117 2.124 -9.797 1.00 0.00 N ATOM 734 NH2 ARG A 126 12.486 2.104 -11.967 1.00 0.00 N ATOM 0 H ARG A 126 8.102 1.467 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 126 7.592 4.180 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.817 3.029 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.182 2.024 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.702 4.042 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.234 5.088 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.095 4.845 -10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.514 3.980 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 126 10.178 2.221 -10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.900 2.297 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.044 1.793 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.776 2.261 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.413 1.773 -12.233 1.00 0.00 H new ATOM 748 N GLU A 127 6.243 1.794 -8.900 1.00 0.00 N ATOM 749 CA GLU A 127 5.265 1.502 -9.944 1.00 0.00 C ATOM 750 C GLU A 127 3.875 1.962 -9.509 1.00 0.00 C ATOM 751 O GLU A 127 3.136 2.570 -10.284 1.00 0.00 O ATOM 752 CB GLU A 127 5.260 0.000 -10.237 1.00 0.00 C ATOM 753 CG GLU A 127 4.359 -0.300 -11.439 1.00 0.00 C ATOM 754 CD GLU A 127 4.994 0.245 -12.716 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.133 0.677 -12.651 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.332 0.221 -13.740 1.00 0.00 O ATOM 0 H GLU A 127 6.569 0.975 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 127 5.538 2.041 -10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.275 -0.342 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.907 -0.548 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.206 -1.375 -11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.378 0.151 -11.290 1.00 0.00 H new ATOM 763 N ALA A 128 3.537 1.673 -8.258 1.00 0.00 N ATOM 764 CA ALA A 128 2.245 2.074 -7.725 1.00 0.00 C ATOM 765 C ALA A 128 2.255 3.571 -7.452 1.00 0.00 C ATOM 766 O ALA A 128 1.201 4.192 -7.320 1.00 0.00 O ATOM 767 CB ALA A 128 1.922 1.311 -6.437 1.00 0.00 C ATOM 0 H ALA A 128 4.133 1.168 -7.602 1.00 0.00 H new ATOM 0 HA ALA A 128 1.476 1.838 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.951 1.630 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.898 0.241 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.688 1.518 -5.690 1.00 0.00 H new ATOM 773 N ASP A 129 3.458 4.159 -7.387 1.00 0.00 N ATOM 774 CA ASP A 129 3.596 5.599 -7.144 1.00 0.00 C ATOM 775 C ASP A 129 3.954 6.326 -8.427 1.00 0.00 C ATOM 776 O ASP A 129 4.898 5.972 -9.139 1.00 0.00 O ATOM 777 CB ASP A 129 4.629 5.898 -6.063 1.00 0.00 C ATOM 778 CG ASP A 129 4.501 7.360 -5.639 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.914 8.124 -6.391 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.982 7.694 -4.569 1.00 0.00 O ATOM 0 H ASP A 129 4.342 3.663 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 129 2.631 5.960 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.476 5.243 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.633 5.702 -6.438 1.00 0.00 H new ATOM 785 N VAL A 130 3.130 7.310 -8.724 1.00 0.00 N ATOM 786 CA VAL A 130 3.237 8.110 -9.937 1.00 0.00 C ATOM 787 C VAL A 130 3.337 9.580 -9.633 1.00 0.00 C ATOM 788 O VAL A 130 3.770 10.367 -10.471 1.00 0.00 O ATOM 789 CB VAL A 130 1.962 7.890 -10.738 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.908 6.432 -11.191 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.723 8.224 -9.849 1.00 0.00 C ATOM 0 H VAL A 130 2.353 7.584 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 130 4.135 7.809 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 130 1.952 8.541 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.998 6.263 -11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 130 2.776 6.212 -11.812 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.912 5.779 -10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.190 8.066 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.718 7.575 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.775 9.265 -9.529 1.00 0.00 H new ATOM 801 N ASP A 131 2.969 9.949 -8.424 1.00 0.00 N ATOM 802 CA ASP A 131 3.049 11.331 -8.006 1.00 0.00 C ATOM 803 C ASP A 131 4.325 11.473 -7.214 1.00 0.00 C ATOM 804 O ASP A 131 4.736 12.568 -6.827 1.00 0.00 O ATOM 805 CB ASP A 131 1.838 11.662 -7.137 1.00 0.00 C ATOM 806 CG ASP A 131 1.751 10.674 -5.979 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.764 10.070 -5.662 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.671 10.525 -5.433 1.00 0.00 O ATOM 0 H ASP A 131 2.611 9.310 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 131 3.052 12.012 -8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.920 12.679 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.927 11.619 -7.734 1.00 0.00 H new ATOM 813 N GLY A 132 4.940 10.317 -6.984 1.00 0.00 N ATOM 814 CA GLY A 132 6.182 10.245 -6.238 1.00 0.00 C ATOM 815 C GLY A 132 5.992 10.698 -4.786 1.00 0.00 C ATOM 816 O GLY A 132 6.934 11.154 -4.139 1.00 0.00 O ATOM 0 H GLY A 132 4.592 9.415 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.559 9.222 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.934 10.870 -6.720 1.00 0.00 H new ATOM 820 N ASP A 133 4.769 10.564 -4.286 1.00 0.00 N ATOM 821 CA ASP A 133 4.467 10.963 -2.910 1.00 0.00 C ATOM 822 C ASP A 133 5.094 9.981 -1.920 1.00 0.00 C ATOM 823 O ASP A 133 4.800 10.024 -0.725 1.00 0.00 O ATOM 824 CB ASP A 133 2.954 11.024 -2.683 1.00 0.00 C ATOM 825 CG ASP A 133 2.322 9.707 -3.095 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.040 8.880 -3.625 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.132 9.544 -2.875 1.00 0.00 O ATOM 0 H ASP A 133 3.975 10.186 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 133 4.888 11.955 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.742 11.228 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.523 11.842 -3.260 1.00 0.00 H new ATOM 832 N GLY A 134 5.976 9.113 -2.416 1.00 0.00 N ATOM 833 CA GLY A 134 6.654 8.152 -1.549 1.00 0.00 C ATOM 834 C GLY A 134 5.656 7.203 -0.914 1.00 0.00 C ATOM 835 O GLY A 134 6.024 6.326 -0.132 1.00 0.00 O ATOM 0 H GLY A 134 6.235 9.056 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.384 7.586 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.204 8.682 -0.772 1.00 0.00 H new ATOM 839 N GLN A 135 4.388 7.388 -1.252 1.00 0.00 N ATOM 840 CA GLN A 135 3.323 6.553 -0.712 1.00 0.00 C ATOM 841 C GLN A 135 2.284 6.325 -1.793 1.00 0.00 C ATOM 842 O GLN A 135 2.460 6.745 -2.933 1.00 0.00 O ATOM 843 CB GLN A 135 2.639 7.246 0.480 1.00 0.00 C ATOM 844 CG GLN A 135 3.631 7.480 1.621 1.00 0.00 C ATOM 845 CD GLN A 135 3.019 8.374 2.690 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.784 9.555 2.445 1.00 0.00 O ATOM 847 NE2 GLN A 135 2.763 7.881 3.871 1.00 0.00 N ATOM 0 H GLN A 135 4.071 8.110 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 135 3.754 5.609 -0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.218 8.198 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.810 6.634 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.920 6.525 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.539 7.940 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.960 6.900 4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 135 2.365 8.477 4.597 1.00 0.00 H new ATOM 856 N ILE A 136 1.188 5.677 -1.433 1.00 0.00 N ATOM 857 CA ILE A 136 0.105 5.424 -2.375 1.00 0.00 C ATOM 858 C ILE A 136 -1.192 5.886 -1.739 1.00 0.00 C ATOM 859 O ILE A 136 -1.524 5.470 -0.630 1.00 0.00 O ATOM 860 CB ILE A 136 0.047 3.921 -2.726 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.326 3.516 -3.501 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.186 3.616 -3.598 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.434 3.075 -2.539 1.00 0.00 C ATOM 0 H ILE A 136 1.023 5.315 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 136 0.271 5.972 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.022 3.353 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.095 2.705 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.674 4.357 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.210 2.552 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -2.092 3.887 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.130 4.192 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.321 2.796 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.679 3.896 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.092 2.219 -1.958 1.00 0.00 H new ATOM 875 N ASN A 137 -1.941 6.718 -2.448 1.00 0.00 N ATOM 876 CA ASN A 137 -3.216 7.189 -1.935 1.00 0.00 C ATOM 877 C ASN A 137 -4.249 6.106 -2.203 1.00 0.00 C ATOM 878 O ASN A 137 -4.053 5.269 -3.083 1.00 0.00 O ATOM 879 CB ASN A 137 -3.601 8.504 -2.617 1.00 0.00 C ATOM 880 CG ASN A 137 -2.374 9.402 -2.753 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.679 9.353 -3.767 1.00 0.00 O ATOM 882 ND2 ASN A 137 -2.067 10.226 -1.788 1.00 0.00 N ATOM 0 H ASN A 137 -1.691 7.077 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.157 7.384 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.025 8.302 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.371 9.012 -2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.250 10.830 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.644 10.265 -0.948 1.00 0.00 H new ATOM 889 N TYR A 138 -5.330 6.089 -1.441 1.00 0.00 N ATOM 890 CA TYR A 138 -6.329 5.050 -1.636 1.00 0.00 C ATOM 891 C TYR A 138 -6.721 4.936 -3.109 1.00 0.00 C ATOM 892 O TYR A 138 -6.604 3.866 -3.703 1.00 0.00 O ATOM 893 CB TYR A 138 -7.574 5.339 -0.798 1.00 0.00 C ATOM 894 CG TYR A 138 -8.614 4.300 -1.131 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.391 2.969 -0.778 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.780 4.659 -1.814 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.328 1.992 -1.108 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.724 3.680 -2.142 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.496 2.345 -1.792 1.00 0.00 C ATOM 900 OH TYR A 138 -11.424 1.377 -2.119 1.00 0.00 O ATOM 0 H TYR A 138 -5.536 6.761 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.891 4.105 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.333 5.309 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.953 6.339 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.491 2.695 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.951 5.690 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.152 0.962 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.628 3.955 -2.665 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.184 1.794 -2.577 1.00 0.00 H new ATOM 910 N GLU A 139 -7.188 6.032 -3.689 1.00 0.00 N ATOM 911 CA GLU A 139 -7.605 6.020 -5.088 1.00 0.00 C ATOM 912 C GLU A 139 -6.536 5.368 -5.963 1.00 0.00 C ATOM 913 O GLU A 139 -6.843 4.546 -6.819 1.00 0.00 O ATOM 914 CB GLU A 139 -7.875 7.457 -5.572 1.00 0.00 C ATOM 915 CG GLU A 139 -6.871 8.427 -4.928 1.00 0.00 C ATOM 916 CD GLU A 139 -7.360 8.863 -3.547 1.00 0.00 C ATOM 917 OE1 GLU A 139 -8.482 9.334 -3.460 1.00 0.00 O ATOM 918 OE2 GLU A 139 -6.605 8.719 -2.600 1.00 0.00 O ATOM 0 H GLU A 139 -7.288 6.933 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.523 5.437 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.794 7.505 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.893 7.751 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.897 7.946 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.739 9.301 -5.566 1.00 0.00 H new ATOM 925 N GLU A 140 -5.285 5.735 -5.744 1.00 0.00 N ATOM 926 CA GLU A 140 -4.196 5.169 -6.525 1.00 0.00 C ATOM 927 C GLU A 140 -4.081 3.675 -6.255 1.00 0.00 C ATOM 928 O GLU A 140 -3.872 2.880 -7.171 1.00 0.00 O ATOM 929 CB GLU A 140 -2.898 5.863 -6.144 1.00 0.00 C ATOM 930 CG GLU A 140 -1.762 5.381 -7.042 1.00 0.00 C ATOM 931 CD GLU A 140 -0.483 6.089 -6.642 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.189 5.610 -5.746 1.00 0.00 O ATOM 933 OE2 GLU A 140 -0.198 7.104 -7.237 1.00 0.00 O ATOM 0 H GLU A 140 -4.999 6.415 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.395 5.318 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.013 6.943 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.659 5.657 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.640 4.302 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.995 5.586 -8.087 1.00 0.00 H new ATOM 940 N PHE A 141 -4.240 3.302 -4.988 1.00 0.00 N ATOM 941 CA PHE A 141 -4.171 1.903 -4.600 1.00 0.00 C ATOM 942 C PHE A 141 -5.264 1.138 -5.327 1.00 0.00 C ATOM 943 O PHE A 141 -5.044 0.042 -5.843 1.00 0.00 O ATOM 944 CB PHE A 141 -4.354 1.759 -3.083 1.00 0.00 C ATOM 945 CG PHE A 141 -4.088 0.329 -2.654 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.819 -0.235 -2.851 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.104 -0.438 -2.058 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.569 -1.551 -2.458 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.850 -1.755 -1.665 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.581 -2.309 -1.865 1.00 0.00 C ATOM 0 H PHE A 141 -4.416 3.948 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.194 1.500 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.675 2.434 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.367 2.047 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.034 0.350 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.083 -0.009 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.592 -1.984 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.632 -2.344 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.383 -3.326 -1.560 1.00 0.00 H new ATOM 960 N VAL A 142 -6.440 1.748 -5.375 1.00 0.00 N ATOM 961 CA VAL A 142 -7.574 1.148 -6.052 1.00 0.00 C ATOM 962 C VAL A 142 -7.227 0.940 -7.523 1.00 0.00 C ATOM 963 O VAL A 142 -7.499 -0.116 -8.088 1.00 0.00 O ATOM 964 CB VAL A 142 -8.798 2.070 -5.918 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.934 1.565 -6.811 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.266 2.107 -4.452 1.00 0.00 C ATOM 0 H VAL A 142 -6.631 2.657 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.809 0.184 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.520 3.076 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.797 2.224 -6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.604 1.556 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.212 0.555 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.133 2.762 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.536 1.101 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.460 2.485 -3.822 1.00 0.00 H new ATOM 976 N LYS A 143 -6.608 1.946 -8.131 1.00 0.00 N ATOM 977 CA LYS A 143 -6.217 1.851 -9.532 1.00 0.00 C ATOM 978 C LYS A 143 -5.199 0.724 -9.741 1.00 0.00 C ATOM 979 O LYS A 143 -5.322 -0.062 -10.682 1.00 0.00 O ATOM 980 CB LYS A 143 -5.608 3.182 -9.994 1.00 0.00 C ATOM 981 CG LYS A 143 -6.698 4.260 -10.068 1.00 0.00 C ATOM 982 CD LYS A 143 -6.067 5.599 -10.463 1.00 0.00 C ATOM 983 CE LYS A 143 -7.148 6.684 -10.517 1.00 0.00 C ATOM 984 NZ LYS A 143 -6.532 7.983 -10.918 1.00 0.00 N ATOM 0 H LYS A 143 -6.368 2.829 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.107 1.629 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.824 3.492 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -5.141 3.058 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.457 3.975 -10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -7.199 4.352 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -5.297 5.875 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -5.579 5.510 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -7.925 6.403 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.628 6.782 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -7.266 8.719 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -5.806 8.252 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -6.094 7.885 -11.856 1.00 0.00 H new ATOM 998 N VAL A 144 -4.192 0.643 -8.864 1.00 0.00 N ATOM 999 CA VAL A 144 -3.170 -0.392 -8.976 1.00 0.00 C ATOM 1000 C VAL A 144 -3.730 -1.782 -8.670 1.00 0.00 C ATOM 1001 O VAL A 144 -3.470 -2.740 -9.397 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.042 -0.074 -7.999 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -0.980 -1.176 -8.061 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.418 1.285 -8.363 1.00 0.00 C ATOM 0 H VAL A 144 -4.067 1.279 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.804 -0.402 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.439 -0.024 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.176 -0.946 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.431 -2.131 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.576 -1.236 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.612 1.514 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.020 1.243 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.180 2.062 -8.304 1.00 0.00 H new ATOM 1014 N MET A 145 -4.486 -1.883 -7.582 1.00 0.00 N ATOM 1015 CA MET A 145 -5.063 -3.163 -7.175 1.00 0.00 C ATOM 1016 C MET A 145 -6.064 -3.661 -8.204 1.00 0.00 C ATOM 1017 O MET A 145 -6.100 -4.845 -8.533 1.00 0.00 O ATOM 1018 CB MET A 145 -5.752 -3.010 -5.816 1.00 0.00 C ATOM 1019 CG MET A 145 -6.304 -4.362 -5.339 1.00 0.00 C ATOM 1020 SD MET A 145 -4.951 -5.550 -5.124 1.00 0.00 S ATOM 1021 CE MET A 145 -4.108 -4.705 -3.766 1.00 0.00 C ATOM 0 H MET A 145 -4.714 -1.101 -6.968 1.00 0.00 H new ATOM 0 HA MET A 145 -4.258 -3.894 -7.098 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.044 -2.621 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.563 -2.286 -5.892 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.838 -4.233 -4.397 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.023 -4.745 -6.063 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.578 -5.436 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.396 -3.986 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.841 -4.183 -3.151 1.00 0.00 H new ATOM 1031 N MET A 146 -6.869 -2.745 -8.708 1.00 0.00 N ATOM 1032 CA MET A 146 -7.876 -3.100 -9.705 1.00 0.00 C ATOM 1033 C MET A 146 -7.208 -3.604 -10.982 1.00 0.00 C ATOM 1034 O MET A 146 -7.650 -4.590 -11.572 1.00 0.00 O ATOM 1035 CB MET A 146 -8.749 -1.883 -10.034 1.00 0.00 C ATOM 1036 CG MET A 146 -9.751 -1.645 -8.899 1.00 0.00 C ATOM 1037 SD MET A 146 -11.019 -2.942 -8.932 1.00 0.00 S ATOM 1038 CE MET A 146 -12.477 -1.872 -8.807 1.00 0.00 C ATOM 0 H MET A 146 -6.851 -1.758 -8.451 1.00 0.00 H new ATOM 0 HA MET A 146 -8.501 -3.892 -9.292 1.00 0.00 H new ATOM 0 HB2 MET A 146 -8.124 -1.001 -10.171 1.00 0.00 H new ATOM 0 HB3 MET A 146 -9.279 -2.047 -10.972 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.236 -1.649 -7.938 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.215 -0.665 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.379 -2.484 -8.811 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.430 -1.300 -7.880 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.500 -1.187 -9.655 1.00 0.00 H new