USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HD1:sc=-8.12e-06 X(o=-8.1e-06,f=-0.043) USER MOD Set 1.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -71:sc= 1.26 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.12 K(o=2.4,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00752) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.28) USER MOD Single : A 20 SER OG : rot 94:sc= 1.3 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 178:sc= 1.43 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 20:sc= 1.29 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 46 HIS : no HD1:sc=-0.00838 K(o=-0.0084,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.546 (180deg=0.522) USER MOD Single : A 53 LYS NZ :NH3+ -102:sc= -0.242 (180deg=-0.376) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0863 K(o=-0.086,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.914 3.759 -10.140 1.00 0.00 N ATOM 2 CA MET A 1 -6.256 3.125 -11.313 1.00 0.00 C ATOM 3 C MET A 1 -6.997 1.808 -11.727 1.00 0.00 C ATOM 4 O MET A 1 -6.649 0.708 -11.290 1.00 0.00 O ATOM 5 CB MET A 1 -4.749 2.902 -11.031 1.00 0.00 C ATOM 6 CG MET A 1 -3.917 4.196 -10.969 1.00 0.00 C ATOM 7 SD MET A 1 -2.186 3.777 -10.684 1.00 0.00 S ATOM 8 CE MET A 1 -1.544 3.811 -12.365 1.00 0.00 C ATOM 0 H1 MET A 1 -6.436 4.655 -9.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.913 3.945 -10.361 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.853 3.121 -9.321 1.00 0.00 H new ATOM 0 HA MET A 1 -6.325 3.799 -12.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.643 2.370 -10.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.338 2.257 -11.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.020 4.753 -11.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.284 4.840 -10.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.481 3.571 -12.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.075 3.078 -12.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.687 4.805 -12.789 1.00 0.00 H new ATOM 19 N LYS A 2 -8.015 1.952 -12.591 1.00 0.00 N ATOM 20 CA LYS A 2 -8.865 0.832 -13.087 1.00 0.00 C ATOM 21 C LYS A 2 -9.905 0.311 -12.036 1.00 0.00 C ATOM 22 O LYS A 2 -10.911 0.986 -11.805 1.00 0.00 O ATOM 23 CB LYS A 2 -8.107 -0.234 -13.920 1.00 0.00 C ATOM 24 CG LYS A 2 -7.445 0.254 -15.223 1.00 0.00 C ATOM 25 CD LYS A 2 -8.443 0.623 -16.331 1.00 0.00 C ATOM 26 CE LYS A 2 -7.779 1.033 -17.654 1.00 0.00 C ATOM 27 NZ LYS A 2 -7.247 -0.129 -18.395 1.00 0.00 N ATOM 0 H LYS A 2 -8.283 2.858 -12.976 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.511 1.270 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.335 -0.674 -13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.806 -1.032 -14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.827 1.124 -15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.778 -0.525 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.100 -0.228 -16.513 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.072 1.442 -15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.505 1.557 -18.276 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.969 1.734 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.808 0.195 -19.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.535 -0.615 -17.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.023 -0.786 -18.613 1.00 0.00 H new ATOM 40 N ALA A 3 -9.693 -0.869 -11.448 1.00 0.00 N ATOM 41 CA ALA A 3 -10.669 -1.514 -10.537 1.00 0.00 C ATOM 42 C ALA A 3 -10.013 -1.940 -9.188 1.00 0.00 C ATOM 43 O ALA A 3 -9.298 -2.945 -9.111 1.00 0.00 O ATOM 44 CB ALA A 3 -11.278 -2.708 -11.293 1.00 0.00 C ATOM 0 H ALA A 3 -8.841 -1.413 -11.584 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.453 -0.809 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.004 -3.211 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.774 -2.352 -12.196 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.488 -3.408 -11.565 1.00 0.00 H new ATOM 50 N LEU A 4 -10.265 -1.159 -8.130 1.00 0.00 N ATOM 51 CA LEU A 4 -9.714 -1.425 -6.782 1.00 0.00 C ATOM 52 C LEU A 4 -10.883 -1.701 -5.768 1.00 0.00 C ATOM 53 O LEU A 4 -11.728 -0.836 -5.520 1.00 0.00 O ATOM 54 CB LEU A 4 -8.864 -0.226 -6.265 1.00 0.00 C ATOM 55 CG LEU A 4 -7.481 -0.020 -6.919 1.00 0.00 C ATOM 56 CD1 LEU A 4 -7.552 0.756 -8.235 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.570 0.779 -5.968 1.00 0.00 C ATOM 0 H LEU A 4 -10.853 -0.327 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.069 -2.300 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.444 0.686 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.717 -0.351 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.089 -1.017 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.549 0.868 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.176 0.213 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.982 1.741 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.595 0.922 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.020 1.750 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.449 0.231 -5.034 1.00 0.00 H new ATOM 69 N THR A 5 -10.877 -2.881 -5.137 1.00 0.00 N ATOM 70 CA THR A 5 -11.753 -3.175 -3.962 1.00 0.00 C ATOM 71 C THR A 5 -11.433 -2.281 -2.704 1.00 0.00 C ATOM 72 O THR A 5 -10.302 -1.823 -2.540 1.00 0.00 O ATOM 73 CB THR A 5 -11.660 -4.684 -3.543 1.00 0.00 C ATOM 74 OG1 THR A 5 -10.348 -5.053 -3.118 1.00 0.00 O ATOM 75 CG2 THR A 5 -12.083 -5.680 -4.616 1.00 0.00 C ATOM 0 H THR A 5 -10.278 -3.660 -5.410 1.00 0.00 H new ATOM 0 HA THR A 5 -12.764 -2.939 -4.295 1.00 0.00 H new ATOM 0 HB THR A 5 -12.372 -4.745 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.746 -5.067 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.983 -6.695 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.121 -5.498 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.447 -5.561 -5.494 1.00 0.00 H new ATOM 83 N ALA A 6 -12.410 -2.056 -1.811 1.00 0.00 N ATOM 84 CA ALA A 6 -12.225 -1.173 -0.618 1.00 0.00 C ATOM 85 C ALA A 6 -10.975 -1.400 0.308 1.00 0.00 C ATOM 86 O ALA A 6 -10.345 -0.421 0.716 1.00 0.00 O ATOM 87 CB ALA A 6 -13.538 -1.238 0.176 1.00 0.00 C ATOM 0 H ALA A 6 -13.341 -2.467 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.991 -0.183 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.459 -0.608 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.359 -0.884 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.730 -2.268 0.478 1.00 0.00 H new ATOM 93 N ARG A 7 -10.595 -2.660 0.576 1.00 0.00 N ATOM 94 CA ARG A 7 -9.312 -2.989 1.249 1.00 0.00 C ATOM 95 C ARG A 7 -8.019 -2.581 0.449 1.00 0.00 C ATOM 96 O ARG A 7 -7.210 -1.825 0.988 1.00 0.00 O ATOM 97 CB ARG A 7 -9.267 -4.495 1.596 1.00 0.00 C ATOM 98 CG ARG A 7 -10.234 -5.023 2.669 1.00 0.00 C ATOM 99 CD ARG A 7 -10.076 -4.362 4.042 1.00 0.00 C ATOM 100 NE ARG A 7 -10.542 -5.299 5.091 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.436 -5.094 6.394 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.940 -4.021 6.930 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.850 -6.022 7.184 1.00 0.00 N ATOM 0 H ARG A 7 -11.157 -3.477 0.338 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.296 -2.382 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.451 -5.054 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.253 -4.733 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.257 -4.875 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.086 -6.098 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.033 -4.096 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.652 -3.437 4.082 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.978 -6.169 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.600 -3.265 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.891 -3.934 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.244 -6.881 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.784 -5.899 8.194 1.00 0.00 H new ATOM 116 N GLN A 8 -7.835 -3.037 -0.805 1.00 0.00 N ATOM 117 CA GLN A 8 -6.695 -2.582 -1.658 1.00 0.00 C ATOM 118 C GLN A 8 -6.663 -1.057 -2.039 1.00 0.00 C ATOM 119 O GLN A 8 -5.580 -0.480 -2.135 1.00 0.00 O ATOM 120 CB GLN A 8 -6.543 -3.525 -2.883 1.00 0.00 C ATOM 121 CG GLN A 8 -7.488 -3.261 -4.065 1.00 0.00 C ATOM 122 CD GLN A 8 -7.578 -4.354 -5.108 1.00 0.00 C ATOM 123 OE1 GLN A 8 -8.563 -5.082 -5.179 1.00 0.00 O ATOM 124 NE2 GLN A 8 -6.617 -4.473 -5.987 1.00 0.00 N ATOM 0 H GLN A 8 -8.450 -3.714 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.810 -2.662 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.517 -3.456 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.694 -4.551 -2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.488 -3.082 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.171 -2.342 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.797 -3.869 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.688 -5.169 -6.729 1.00 0.00 H new ATOM 133 N GLN A 9 -7.827 -0.410 -2.227 1.00 0.00 N ATOM 134 CA GLN A 9 -7.930 1.065 -2.381 1.00 0.00 C ATOM 135 C GLN A 9 -7.360 1.887 -1.185 1.00 0.00 C ATOM 136 O GLN A 9 -6.555 2.780 -1.430 1.00 0.00 O ATOM 137 CB GLN A 9 -9.400 1.426 -2.713 1.00 0.00 C ATOM 138 CG GLN A 9 -9.603 2.751 -3.485 1.00 0.00 C ATOM 139 CD GLN A 9 -9.245 4.044 -2.769 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.527 4.241 -1.591 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.598 4.962 -3.442 1.00 0.00 N ATOM 0 H GLN A 9 -8.726 -0.888 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.283 1.357 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.831 0.615 -3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.962 1.479 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.014 2.700 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.650 2.810 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.361 4.804 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.331 5.835 -2.987 1.00 0.00 H new ATOM 150 N GLU A 10 -7.720 1.590 0.071 1.00 0.00 N ATOM 151 CA GLU A 10 -7.082 2.240 1.254 1.00 0.00 C ATOM 152 C GLU A 10 -5.569 1.887 1.524 1.00 0.00 C ATOM 153 O GLU A 10 -4.848 2.745 2.036 1.00 0.00 O ATOM 154 CB GLU A 10 -7.972 2.003 2.494 1.00 0.00 C ATOM 155 CG GLU A 10 -9.370 2.667 2.454 1.00 0.00 C ATOM 156 CD GLU A 10 -9.372 4.188 2.476 1.00 0.00 C ATOM 157 OE1 GLU A 10 -9.408 4.840 3.513 1.00 0.00 O ATOM 158 OE2 GLU A 10 -9.330 4.736 1.225 1.00 0.00 O ATOM 0 H GLU A 10 -8.443 0.910 0.307 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.024 3.302 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.104 0.929 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.442 2.368 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.886 2.333 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.948 2.308 3.305 1.00 0.00 H new ATOM 166 N VAL A 11 -5.073 0.706 1.113 1.00 0.00 N ATOM 167 CA VAL A 11 -3.600 0.454 0.930 1.00 0.00 C ATOM 168 C VAL A 11 -2.928 1.460 -0.096 1.00 0.00 C ATOM 169 O VAL A 11 -1.980 2.157 0.263 1.00 0.00 O ATOM 170 CB VAL A 11 -3.362 -1.044 0.520 1.00 0.00 C ATOM 171 CG1 VAL A 11 -1.876 -1.396 0.279 1.00 0.00 C ATOM 172 CG2 VAL A 11 -3.861 -2.069 1.558 1.00 0.00 C ATOM 0 H VAL A 11 -5.658 -0.101 0.897 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.110 0.639 1.886 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.938 -1.116 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.792 -2.446 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.480 -0.774 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.307 -1.216 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.659 -3.078 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.344 -1.910 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.934 -1.944 1.706 1.00 0.00 H new ATOM 182 N PHE A 12 -3.446 1.525 -1.329 1.00 0.00 N ATOM 183 CA PHE A 12 -3.034 2.521 -2.361 1.00 0.00 C ATOM 184 C PHE A 12 -3.155 4.031 -1.958 1.00 0.00 C ATOM 185 O PHE A 12 -2.182 4.775 -2.103 1.00 0.00 O ATOM 186 CB PHE A 12 -3.874 2.117 -3.603 1.00 0.00 C ATOM 187 CG PHE A 12 -3.607 2.890 -4.892 1.00 0.00 C ATOM 188 CD1 PHE A 12 -2.573 2.507 -5.756 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.405 3.990 -5.240 1.00 0.00 C ATOM 190 CE1 PHE A 12 -2.330 3.219 -6.933 1.00 0.00 C ATOM 191 CE2 PHE A 12 -4.168 4.694 -6.421 1.00 0.00 C ATOM 192 CZ PHE A 12 -3.125 4.314 -7.260 1.00 0.00 C ATOM 0 H PHE A 12 -4.172 0.886 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.960 2.478 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.703 1.058 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.929 2.229 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.958 1.654 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.210 4.295 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.526 2.920 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.794 5.534 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.932 4.869 -8.166 1.00 0.00 H new ATOM 202 N ASP A 13 -4.318 4.461 -1.446 1.00 0.00 N ATOM 203 CA ASP A 13 -4.561 5.860 -1.012 1.00 0.00 C ATOM 204 C ASP A 13 -3.662 6.364 0.163 1.00 0.00 C ATOM 205 O ASP A 13 -3.136 7.470 0.050 1.00 0.00 O ATOM 206 CB ASP A 13 -6.070 6.003 -0.677 1.00 0.00 C ATOM 207 CG ASP A 13 -6.634 7.382 -0.962 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.293 7.644 -1.962 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.326 8.293 0.001 1.00 0.00 O ATOM 0 H ASP A 13 -5.125 3.851 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.275 6.508 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.631 5.266 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.222 5.769 0.377 1.00 0.00 H new ATOM 215 N LEU A 14 -3.446 5.581 1.239 1.00 0.00 N ATOM 216 CA LEU A 14 -2.445 5.931 2.293 1.00 0.00 C ATOM 217 C LEU A 14 -0.971 6.144 1.798 1.00 0.00 C ATOM 218 O LEU A 14 -0.313 7.060 2.291 1.00 0.00 O ATOM 219 CB LEU A 14 -2.547 4.857 3.407 1.00 0.00 C ATOM 220 CG LEU A 14 -1.721 5.122 4.691 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.228 6.325 5.486 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.760 3.875 5.585 1.00 0.00 C ATOM 0 H LEU A 14 -3.942 4.706 1.410 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.700 6.921 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.595 4.754 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.234 3.900 2.990 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.702 5.347 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.610 6.461 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.174 7.220 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.262 6.153 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.180 4.058 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.792 3.653 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.335 3.028 5.046 1.00 0.00 H new ATOM 234 N ILE A 15 -0.475 5.360 0.826 1.00 0.00 N ATOM 235 CA ILE A 15 0.828 5.638 0.137 1.00 0.00 C ATOM 236 C ILE A 15 0.859 7.038 -0.587 1.00 0.00 C ATOM 237 O ILE A 15 1.785 7.812 -0.337 1.00 0.00 O ATOM 238 CB ILE A 15 1.247 4.445 -0.796 1.00 0.00 C ATOM 239 CG1 ILE A 15 1.333 3.083 -0.037 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.628 4.696 -1.463 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.293 1.857 -0.953 1.00 0.00 C ATOM 0 H ILE A 15 -0.948 4.522 0.488 1.00 0.00 H new ATOM 0 HA ILE A 15 1.590 5.712 0.913 1.00 0.00 H new ATOM 0 HB ILE A 15 0.462 4.389 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.255 3.060 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.508 3.021 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.883 3.849 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.581 5.603 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.389 4.812 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.357 0.951 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.359 1.853 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.134 1.893 -1.646 1.00 0.00 H new ATOM 253 N ARG A 16 -0.157 7.373 -1.400 1.00 0.00 N ATOM 254 CA ARG A 16 -0.339 8.753 -1.938 1.00 0.00 C ATOM 255 C ARG A 16 -0.449 9.894 -0.849 1.00 0.00 C ATOM 256 O ARG A 16 0.256 10.901 -0.947 1.00 0.00 O ATOM 257 CB ARG A 16 -1.579 8.817 -2.879 1.00 0.00 C ATOM 258 CG ARG A 16 -1.548 7.854 -4.077 1.00 0.00 C ATOM 259 CD ARG A 16 -2.598 8.090 -5.167 1.00 0.00 C ATOM 260 NE ARG A 16 -3.988 7.977 -4.663 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.079 8.166 -5.387 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.084 8.437 -6.659 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.217 8.069 -4.792 1.00 0.00 N ATOM 0 H ARG A 16 -0.872 6.713 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 16 0.580 8.953 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.472 8.608 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.676 9.835 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.561 7.911 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.667 6.838 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.452 9.081 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.449 7.369 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.113 7.734 -3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.203 8.517 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.969 8.570 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.255 7.853 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.080 8.208 -5.317 1.00 0.00 H new ATOM 276 N ASP A 17 -1.294 9.694 0.169 1.00 0.00 N ATOM 277 CA ASP A 17 -1.456 10.612 1.322 1.00 0.00 C ATOM 278 C ASP A 17 -0.161 10.849 2.188 1.00 0.00 C ATOM 279 O ASP A 17 0.190 12.005 2.406 1.00 0.00 O ATOM 280 CB ASP A 17 -2.579 10.072 2.249 1.00 0.00 C ATOM 281 CG ASP A 17 -3.977 9.969 1.677 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.453 10.728 0.839 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.654 8.912 2.201 1.00 0.00 O ATOM 0 H ASP A 17 -1.900 8.876 0.223 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.702 11.580 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.283 9.080 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.624 10.713 3.130 1.00 0.00 H new ATOM 289 N HIS A 18 0.518 9.801 2.677 1.00 0.00 N ATOM 290 CA HIS A 18 1.712 9.949 3.560 1.00 0.00 C ATOM 291 C HIS A 18 3.031 10.412 2.852 1.00 0.00 C ATOM 292 O HIS A 18 3.781 11.185 3.452 1.00 0.00 O ATOM 293 CB HIS A 18 1.883 8.627 4.342 1.00 0.00 C ATOM 294 CG HIS A 18 2.591 8.783 5.701 1.00 0.00 C ATOM 295 ND1 HIS A 18 1.890 8.746 6.899 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.958 9.048 5.945 1.00 0.00 C ATOM 297 CE1 HIS A 18 2.911 9.019 7.770 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.180 9.191 7.297 1.00 0.00 N ATOM 0 H HIS A 18 0.268 8.832 2.481 1.00 0.00 H new ATOM 0 HA HIS A 18 1.520 10.780 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.900 8.185 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.449 7.926 3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.718 9.127 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.713 9.098 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.047 9.374 7.802 1.00 0.00 H new ATOM 306 N ILE A 19 3.302 10.009 1.597 1.00 0.00 N ATOM 307 CA ILE A 19 4.344 10.684 0.747 1.00 0.00 C ATOM 308 C ILE A 19 4.021 12.221 0.487 1.00 0.00 C ATOM 309 O ILE A 19 4.932 13.043 0.584 1.00 0.00 O ATOM 310 CB ILE A 19 4.558 9.885 -0.588 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.048 8.419 -0.390 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.492 10.591 -1.603 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.472 8.219 0.115 1.00 0.00 C ATOM 0 H ILE A 19 2.829 9.230 1.138 1.00 0.00 H new ATOM 0 HA ILE A 19 5.282 10.674 1.301 1.00 0.00 H new ATOM 0 HB ILE A 19 3.551 9.854 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.370 7.929 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.953 7.900 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.589 9.976 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.071 11.560 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.475 10.735 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.679 7.153 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.174 8.666 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.583 8.695 1.089 1.00 0.00 H new ATOM 325 N SER A 20 2.765 12.590 0.189 1.00 0.00 N ATOM 326 CA SER A 20 2.344 14.009 0.031 1.00 0.00 C ATOM 327 C SER A 20 2.339 14.889 1.337 1.00 0.00 C ATOM 328 O SER A 20 2.880 15.994 1.334 1.00 0.00 O ATOM 329 CB SER A 20 0.925 14.006 -0.609 1.00 0.00 C ATOM 330 OG SER A 20 0.887 13.341 -1.875 1.00 0.00 O ATOM 0 H SER A 20 2.007 11.922 0.049 1.00 0.00 H new ATOM 0 HA SER A 20 3.099 14.483 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.226 13.521 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.586 15.034 -0.734 1.00 0.00 H new ATOM 0 HG SER A 20 0.633 12.403 -1.745 1.00 0.00 H new ATOM 336 N GLN A 21 1.724 14.405 2.422 1.00 0.00 N ATOM 337 CA GLN A 21 1.649 15.118 3.731 1.00 0.00 C ATOM 338 C GLN A 21 2.932 15.082 4.643 1.00 0.00 C ATOM 339 O GLN A 21 3.003 15.834 5.618 1.00 0.00 O ATOM 340 CB GLN A 21 0.426 14.457 4.436 1.00 0.00 C ATOM 341 CG GLN A 21 -0.095 15.159 5.707 1.00 0.00 C ATOM 342 CD GLN A 21 -1.281 14.440 6.337 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.440 14.745 6.087 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.046 13.458 7.170 1.00 0.00 N ATOM 0 H GLN A 21 1.255 13.499 2.430 1.00 0.00 H new ATOM 0 HA GLN A 21 1.556 16.189 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.392 14.399 3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.694 13.433 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.712 15.225 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.385 16.180 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.085 13.193 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.823 12.958 7.601 1.00 0.00 H new ATOM 353 N THR A 22 3.896 14.191 4.393 1.00 0.00 N ATOM 354 CA THR A 22 5.125 14.041 5.233 1.00 0.00 C ATOM 355 C THR A 22 6.395 13.712 4.381 1.00 0.00 C ATOM 356 O THR A 22 7.423 14.363 4.578 1.00 0.00 O ATOM 357 CB THR A 22 4.856 13.016 6.376 1.00 0.00 C ATOM 358 OG1 THR A 22 3.768 13.469 7.182 1.00 0.00 O ATOM 359 CG2 THR A 22 6.009 12.815 7.351 1.00 0.00 C ATOM 0 H THR A 22 3.862 13.544 3.605 1.00 0.00 H new ATOM 0 HA THR A 22 5.353 15.000 5.699 1.00 0.00 H new ATOM 0 HB THR A 22 4.670 12.079 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.600 12.822 7.899 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.723 12.084 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.884 12.454 6.810 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.246 13.763 7.834 1.00 0.00 H new ATOM 367 N GLY A 23 6.350 12.706 3.494 1.00 0.00 N ATOM 368 CA GLY A 23 7.516 12.315 2.656 1.00 0.00 C ATOM 369 C GLY A 23 7.961 10.837 2.673 1.00 0.00 C ATOM 370 O GLY A 23 8.586 10.394 1.710 1.00 0.00 O ATOM 0 H GLY A 23 5.517 12.140 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.290 12.583 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.367 12.923 2.964 1.00 0.00 H new ATOM 374 N MET A 24 7.696 10.103 3.758 1.00 0.00 N ATOM 375 CA MET A 24 8.206 8.724 3.965 1.00 0.00 C ATOM 376 C MET A 24 7.210 7.573 3.595 1.00 0.00 C ATOM 377 O MET A 24 5.995 7.785 3.680 1.00 0.00 O ATOM 378 CB MET A 24 8.753 8.618 5.413 1.00 0.00 C ATOM 379 CG MET A 24 7.737 8.712 6.560 1.00 0.00 C ATOM 380 SD MET A 24 8.614 8.511 8.122 1.00 0.00 S ATOM 381 CE MET A 24 7.267 8.858 9.264 1.00 0.00 C ATOM 0 H MET A 24 7.119 10.442 4.528 1.00 0.00 H new ATOM 0 HA MET A 24 9.011 8.563 3.248 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.279 7.668 5.506 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.492 9.407 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.225 9.674 6.534 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.973 7.942 6.453 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.629 8.779 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.892 9.866 9.088 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.463 8.139 9.107 1.00 0.00 H new ATOM 391 N PRO A 25 7.645 6.345 3.191 1.00 0.00 N ATOM 392 CA PRO A 25 6.695 5.271 2.756 1.00 0.00 C ATOM 393 C PRO A 25 5.915 4.584 3.919 1.00 0.00 C ATOM 394 O PRO A 25 6.569 4.014 4.802 1.00 0.00 O ATOM 395 CB PRO A 25 7.636 4.300 1.996 1.00 0.00 C ATOM 396 CG PRO A 25 9.019 4.488 2.649 1.00 0.00 C ATOM 397 CD PRO A 25 9.064 5.990 2.965 1.00 0.00 C ATOM 0 HA PRO A 25 5.875 5.658 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.294 3.269 2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.667 4.534 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.123 3.885 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.824 4.195 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.673 6.196 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.493 6.560 2.141 1.00 0.00 H new ATOM 405 N PRO A 26 4.556 4.580 3.982 1.00 0.00 N ATOM 406 CA PRO A 26 3.805 3.924 5.101 1.00 0.00 C ATOM 407 C PRO A 26 3.753 2.384 4.951 1.00 0.00 C ATOM 408 O PRO A 26 3.062 1.835 4.089 1.00 0.00 O ATOM 409 CB PRO A 26 2.429 4.623 5.008 1.00 0.00 C ATOM 410 CG PRO A 26 2.253 4.917 3.504 1.00 0.00 C ATOM 411 CD PRO A 26 3.669 5.239 3.000 1.00 0.00 C ATOM 0 HA PRO A 26 4.264 4.038 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.631 3.983 5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.407 5.539 5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.832 4.059 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.575 5.755 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.832 4.854 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.844 6.314 2.962 1.00 0.00 H new ATOM 419 N THR A 27 4.528 1.696 5.789 1.00 0.00 N ATOM 420 CA THR A 27 4.705 0.218 5.695 1.00 0.00 C ATOM 421 C THR A 27 3.599 -0.603 6.424 1.00 0.00 C ATOM 422 O THR A 27 2.544 -0.079 6.797 1.00 0.00 O ATOM 423 CB THR A 27 6.199 -0.085 6.011 1.00 0.00 C ATOM 424 OG1 THR A 27 6.532 -1.421 5.635 1.00 0.00 O ATOM 425 CG2 THR A 27 6.667 0.093 7.447 1.00 0.00 C ATOM 0 H THR A 27 5.053 2.127 6.550 1.00 0.00 H new ATOM 0 HA THR A 27 4.524 -0.153 4.686 1.00 0.00 H new ATOM 0 HB THR A 27 6.711 0.679 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.481 -1.585 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.726 -0.153 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.514 1.128 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.097 -0.568 8.100 1.00 0.00 H new ATOM 433 N ARG A 28 3.804 -1.917 6.576 1.00 0.00 N ATOM 434 CA ARG A 28 2.755 -2.878 7.012 1.00 0.00 C ATOM 435 C ARG A 28 2.020 -2.574 8.378 1.00 0.00 C ATOM 436 O ARG A 28 0.804 -2.758 8.457 1.00 0.00 O ATOM 437 CB ARG A 28 3.346 -4.313 7.047 1.00 0.00 C ATOM 438 CG ARG A 28 3.771 -4.955 5.711 1.00 0.00 C ATOM 439 CD ARG A 28 5.158 -4.542 5.207 1.00 0.00 C ATOM 440 NE ARG A 28 5.561 -5.446 4.106 1.00 0.00 N ATOM 441 CZ ARG A 28 6.731 -5.417 3.482 1.00 0.00 C ATOM 442 NH1 ARG A 28 7.697 -4.589 3.757 1.00 0.00 N ATOM 443 NH2 ARG A 28 6.926 -6.264 2.532 1.00 0.00 N ATOM 0 H ARG A 28 4.707 -2.358 6.401 1.00 0.00 H new ATOM 0 HA ARG A 28 1.971 -2.769 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.217 -4.299 7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.608 -4.967 7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.749 -6.039 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.033 -4.698 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.140 -3.509 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.883 -4.591 6.019 1.00 0.00 H new ATOM 0 HE ARG A 28 4.885 -6.147 3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.582 -3.899 4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.569 -4.630 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.193 -6.928 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.814 -6.271 2.029 1.00 0.00 H new ATOM 456 N ALA A 29 2.744 -2.096 9.404 1.00 0.00 N ATOM 457 CA ALA A 29 2.125 -1.556 10.642 1.00 0.00 C ATOM 458 C ALA A 29 1.277 -0.247 10.489 1.00 0.00 C ATOM 459 O ALA A 29 0.174 -0.192 11.034 1.00 0.00 O ATOM 460 CB ALA A 29 3.263 -1.385 11.662 1.00 0.00 C ATOM 0 H ALA A 29 3.764 -2.070 9.407 1.00 0.00 H new ATOM 0 HA ALA A 29 1.370 -2.271 10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.860 -0.989 12.594 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.731 -2.351 11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.006 -0.693 11.265 1.00 0.00 H new ATOM 466 N GLU A 30 1.753 0.767 9.746 1.00 0.00 N ATOM 467 CA GLU A 30 0.933 1.957 9.377 1.00 0.00 C ATOM 468 C GLU A 30 -0.362 1.634 8.540 1.00 0.00 C ATOM 469 O GLU A 30 -1.434 2.130 8.883 1.00 0.00 O ATOM 470 CB GLU A 30 1.794 2.993 8.604 1.00 0.00 C ATOM 471 CG GLU A 30 2.874 3.741 9.406 1.00 0.00 C ATOM 472 CD GLU A 30 4.141 2.977 9.740 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.574 2.026 9.098 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.765 3.484 10.835 1.00 0.00 O ATOM 0 H GLU A 30 2.706 0.795 9.383 1.00 0.00 H new ATOM 0 HA GLU A 30 0.590 2.365 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.282 2.478 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.123 3.733 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.155 4.633 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.427 4.080 10.341 1.00 0.00 H new ATOM 482 N ILE A 31 -0.260 0.793 7.503 1.00 0.00 N ATOM 483 CA ILE A 31 -1.432 0.278 6.727 1.00 0.00 C ATOM 484 C ILE A 31 -2.482 -0.476 7.618 1.00 0.00 C ATOM 485 O ILE A 31 -3.642 -0.061 7.665 1.00 0.00 O ATOM 486 CB ILE A 31 -0.877 -0.565 5.516 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.172 0.352 4.468 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.966 -1.371 4.774 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.787 -0.393 3.541 1.00 0.00 C ATOM 0 H ILE A 31 0.635 0.440 7.165 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.012 1.112 6.332 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.171 -1.265 5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.932 0.849 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.379 1.132 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.512 -1.926 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.438 -2.068 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.718 -0.688 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.238 0.311 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.570 -0.868 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.239 -1.155 2.986 1.00 0.00 H new ATOM 501 N ALA A 32 -2.083 -1.551 8.314 1.00 0.00 N ATOM 502 CA ALA A 32 -2.999 -2.331 9.178 1.00 0.00 C ATOM 503 C ALA A 32 -3.604 -1.629 10.435 1.00 0.00 C ATOM 504 O ALA A 32 -4.766 -1.895 10.748 1.00 0.00 O ATOM 505 CB ALA A 32 -2.222 -3.600 9.567 1.00 0.00 C ATOM 0 H ALA A 32 -1.127 -1.906 8.299 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.902 -2.516 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.843 -4.225 10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.957 -4.155 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.314 -3.321 10.102 1.00 0.00 H new ATOM 511 N GLN A 33 -2.861 -0.763 11.136 1.00 0.00 N ATOM 512 CA GLN A 33 -3.428 0.074 12.230 1.00 0.00 C ATOM 513 C GLN A 33 -4.304 1.298 11.776 1.00 0.00 C ATOM 514 O GLN A 33 -5.257 1.625 12.484 1.00 0.00 O ATOM 515 CB GLN A 33 -2.301 0.534 13.186 1.00 0.00 C ATOM 516 CG GLN A 33 -1.513 -0.578 13.914 1.00 0.00 C ATOM 517 CD GLN A 33 -2.283 -1.442 14.895 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.357 -1.169 16.086 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.869 -2.526 14.452 1.00 0.00 N ATOM 0 H GLN A 33 -1.865 -0.615 10.974 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.130 -0.580 12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.593 1.134 12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.739 1.189 13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.075 -1.231 13.160 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.687 -0.111 14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.816 -2.766 13.462 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.379 -3.130 15.097 1.00 0.00 H new ATOM 528 N ARG A 34 -4.017 1.947 10.635 1.00 0.00 N ATOM 529 CA ARG A 34 -4.911 2.996 10.060 1.00 0.00 C ATOM 530 C ARG A 34 -6.260 2.461 9.482 1.00 0.00 C ATOM 531 O ARG A 34 -7.310 2.997 9.841 1.00 0.00 O ATOM 532 CB ARG A 34 -4.064 3.812 9.049 1.00 0.00 C ATOM 533 CG ARG A 34 -4.708 5.102 8.512 1.00 0.00 C ATOM 534 CD ARG A 34 -5.562 4.908 7.253 1.00 0.00 C ATOM 535 NE ARG A 34 -6.273 6.165 6.921 1.00 0.00 N ATOM 536 CZ ARG A 34 -7.469 6.515 7.373 1.00 0.00 C ATOM 537 NH1 ARG A 34 -8.180 5.816 8.212 1.00 0.00 N ATOM 538 NH2 ARG A 34 -7.955 7.632 6.952 1.00 0.00 N ATOM 0 H ARG A 34 -3.176 1.772 10.085 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.264 3.647 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.119 4.073 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.827 3.168 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.330 5.536 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.920 5.823 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.929 4.607 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.282 4.105 7.413 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.803 6.816 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.823 4.930 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.094 6.155 8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.422 8.206 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.872 7.942 7.273 1.00 0.00 H new ATOM 551 N LEU A 35 -6.243 1.467 8.577 1.00 0.00 N ATOM 552 CA LEU A 35 -7.491 0.930 7.951 1.00 0.00 C ATOM 553 C LEU A 35 -8.202 -0.257 8.681 1.00 0.00 C ATOM 554 O LEU A 35 -9.410 -0.428 8.506 1.00 0.00 O ATOM 555 CB LEU A 35 -7.225 0.724 6.436 1.00 0.00 C ATOM 556 CG LEU A 35 -6.541 -0.575 5.969 1.00 0.00 C ATOM 557 CD1 LEU A 35 -7.589 -1.640 5.614 1.00 0.00 C ATOM 558 CD2 LEU A 35 -5.676 -0.308 4.729 1.00 0.00 C ATOM 0 H LEU A 35 -5.388 1.012 8.255 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.269 1.682 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.183 0.795 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.615 1.559 6.092 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.916 -0.934 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.086 -2.550 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.198 -1.858 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.227 -1.269 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.199 -1.235 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.303 0.072 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.910 0.429 4.971 1.00 0.00 H new ATOM 570 N GLY A 36 -7.474 -1.074 9.460 1.00 0.00 N ATOM 571 CA GLY A 36 -8.064 -2.164 10.273 1.00 0.00 C ATOM 572 C GLY A 36 -7.877 -3.605 9.767 1.00 0.00 C ATOM 573 O GLY A 36 -8.855 -4.354 9.702 1.00 0.00 O ATOM 0 H GLY A 36 -6.460 -1.002 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.643 -2.102 11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.134 -1.975 10.364 1.00 0.00 H new ATOM 577 N PHE A 37 -6.634 -4.022 9.489 1.00 0.00 N ATOM 578 CA PHE A 37 -6.318 -5.439 9.192 1.00 0.00 C ATOM 579 C PHE A 37 -5.834 -6.168 10.497 1.00 0.00 C ATOM 580 O PHE A 37 -4.688 -6.001 10.927 1.00 0.00 O ATOM 581 CB PHE A 37 -5.200 -5.584 8.124 1.00 0.00 C ATOM 582 CG PHE A 37 -5.514 -5.194 6.682 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.527 -5.841 5.957 1.00 0.00 C ATOM 584 CD2 PHE A 37 -4.688 -4.282 6.013 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.704 -5.578 4.597 1.00 0.00 C ATOM 586 CE2 PHE A 37 -4.856 -4.032 4.651 1.00 0.00 C ATOM 587 CZ PHE A 37 -5.870 -4.672 3.947 1.00 0.00 C ATOM 0 H PHE A 37 -5.825 -3.402 9.462 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.234 -5.887 8.806 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.350 -4.986 8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.876 -6.625 8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.174 -6.548 6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.912 -3.766 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.489 -6.078 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.199 -3.342 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.011 -4.466 2.896 1.00 0.00 H new ATOM 597 N ARG A 38 -6.669 -7.046 11.066 1.00 0.00 N ATOM 598 CA ARG A 38 -6.230 -7.952 12.175 1.00 0.00 C ATOM 599 C ARG A 38 -5.529 -9.274 11.656 1.00 0.00 C ATOM 600 O ARG A 38 -5.905 -10.392 12.015 1.00 0.00 O ATOM 601 CB ARG A 38 -7.454 -8.244 13.083 1.00 0.00 C ATOM 602 CG ARG A 38 -7.939 -7.031 13.904 1.00 0.00 C ATOM 603 CD ARG A 38 -9.119 -7.394 14.815 1.00 0.00 C ATOM 604 NE ARG A 38 -9.494 -6.183 15.579 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.471 -6.104 16.465 1.00 0.00 C ATOM 606 NH1 ARG A 38 -11.251 -7.093 16.793 1.00 0.00 N ATOM 607 NH2 ARG A 38 -10.657 -4.966 17.039 1.00 0.00 N ATOM 0 H ARG A 38 -7.645 -7.160 10.792 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.459 -7.448 12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.276 -8.599 12.462 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.199 -9.053 13.768 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.117 -6.650 14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.235 -6.229 13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.963 -7.748 14.223 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.843 -8.202 15.492 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.951 -5.337 15.407 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.128 -8.006 16.356 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.985 -6.955 17.487 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.061 -4.172 16.803 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.400 -4.859 17.730 1.00 0.00 H new ATOM 620 N SER A 39 -4.500 -9.114 10.810 1.00 0.00 N ATOM 621 CA SER A 39 -3.784 -10.219 10.128 1.00 0.00 C ATOM 622 C SER A 39 -2.615 -9.618 9.256 1.00 0.00 C ATOM 623 O SER A 39 -2.916 -9.001 8.226 1.00 0.00 O ATOM 624 CB SER A 39 -4.706 -11.072 9.206 1.00 0.00 C ATOM 625 OG SER A 39 -5.522 -11.963 9.964 1.00 0.00 O ATOM 0 H SER A 39 -4.129 -8.194 10.571 1.00 0.00 H new ATOM 0 HA SER A 39 -3.404 -10.879 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.339 -10.413 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.095 -11.642 8.506 1.00 0.00 H new ATOM 0 HG SER A 39 -5.580 -11.646 10.890 1.00 0.00 H new ATOM 631 N PRO A 40 -1.302 -9.808 9.563 1.00 0.00 N ATOM 632 CA PRO A 40 -0.181 -9.438 8.621 1.00 0.00 C ATOM 633 C PRO A 40 -0.229 -9.981 7.163 1.00 0.00 C ATOM 634 O PRO A 40 0.087 -9.250 6.222 1.00 0.00 O ATOM 635 CB PRO A 40 1.077 -9.907 9.401 1.00 0.00 C ATOM 636 CG PRO A 40 0.651 -9.827 10.885 1.00 0.00 C ATOM 637 CD PRO A 40 -0.813 -10.301 10.868 1.00 0.00 C ATOM 0 HA PRO A 40 -0.225 -8.372 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.364 -10.921 9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.935 -9.266 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.271 -10.464 11.515 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.739 -8.812 11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.888 -11.386 10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.383 -9.883 11.698 1.00 0.00 H new ATOM 645 N ASN A 41 -0.669 -11.235 6.983 1.00 0.00 N ATOM 646 CA ASN A 41 -0.952 -11.827 5.649 1.00 0.00 C ATOM 647 C ASN A 41 -2.066 -11.117 4.792 1.00 0.00 C ATOM 648 O ASN A 41 -1.932 -11.101 3.568 1.00 0.00 O ATOM 649 CB ASN A 41 -1.320 -13.328 5.818 1.00 0.00 C ATOM 650 CG ASN A 41 -0.194 -14.213 6.326 1.00 0.00 C ATOM 651 OD1 ASN A 41 0.115 -14.241 7.510 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.459 -14.962 5.476 1.00 0.00 N ATOM 0 H ASN A 41 -0.842 -11.877 7.756 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.030 -11.685 5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.161 -13.405 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.659 -13.714 4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.217 -15.561 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.210 -14.947 4.487 1.00 0.00 H new ATOM 659 N ALA A 42 -3.125 -10.548 5.394 1.00 0.00 N ATOM 660 CA ALA A 42 -4.081 -9.670 4.663 1.00 0.00 C ATOM 661 C ALA A 42 -3.466 -8.348 4.094 1.00 0.00 C ATOM 662 O ALA A 42 -3.597 -8.102 2.894 1.00 0.00 O ATOM 663 CB ALA A 42 -5.270 -9.415 5.599 1.00 0.00 C ATOM 0 H ALA A 42 -3.348 -10.674 6.381 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.400 -10.187 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.996 -8.773 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.741 -10.364 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.919 -8.926 6.508 1.00 0.00 H new ATOM 669 N ALA A 43 -2.745 -7.560 4.911 1.00 0.00 N ATOM 670 CA ALA A 43 -1.952 -6.404 4.418 1.00 0.00 C ATOM 671 C ALA A 43 -0.880 -6.710 3.318 1.00 0.00 C ATOM 672 O ALA A 43 -0.885 -6.047 2.281 1.00 0.00 O ATOM 673 CB ALA A 43 -1.334 -5.730 5.654 1.00 0.00 C ATOM 0 H ALA A 43 -2.691 -7.698 5.920 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.634 -5.744 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.740 -4.872 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.128 -5.397 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.695 -6.443 6.176 1.00 0.00 H new ATOM 679 N GLU A 44 -0.030 -7.733 3.512 1.00 0.00 N ATOM 680 CA GLU A 44 0.900 -8.226 2.456 1.00 0.00 C ATOM 681 C GLU A 44 0.236 -8.734 1.129 1.00 0.00 C ATOM 682 O GLU A 44 0.726 -8.391 0.054 1.00 0.00 O ATOM 683 CB GLU A 44 1.805 -9.293 3.128 1.00 0.00 C ATOM 684 CG GLU A 44 3.019 -9.762 2.302 1.00 0.00 C ATOM 685 CD GLU A 44 4.117 -8.729 2.110 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.201 -8.000 1.128 1.00 0.00 O ATOM 687 OE2 GLU A 44 5.005 -8.725 3.143 1.00 0.00 O ATOM 0 H GLU A 44 0.039 -8.244 4.392 1.00 0.00 H new ATOM 0 HA GLU A 44 1.478 -7.378 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.167 -8.891 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.193 -10.163 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.449 -10.639 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.668 -10.080 1.320 1.00 0.00 H new ATOM 695 N GLU A 45 -0.854 -9.512 1.183 1.00 0.00 N ATOM 696 CA GLU A 45 -1.600 -9.930 -0.042 1.00 0.00 C ATOM 697 C GLU A 45 -2.315 -8.780 -0.841 1.00 0.00 C ATOM 698 O GLU A 45 -2.286 -8.821 -2.072 1.00 0.00 O ATOM 699 CB GLU A 45 -2.616 -11.042 0.332 1.00 0.00 C ATOM 700 CG GLU A 45 -1.954 -12.403 0.638 1.00 0.00 C ATOM 701 CD GLU A 45 -2.908 -13.435 1.209 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.299 -14.417 0.588 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.252 -13.149 2.497 1.00 0.00 O ATOM 0 H GLU A 45 -1.248 -9.871 2.053 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.840 -10.297 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.189 -10.722 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.324 -11.167 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.514 -12.797 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.137 -12.248 1.343 1.00 0.00 H new ATOM 711 N HIS A 46 -2.911 -7.770 -0.184 1.00 0.00 N ATOM 712 CA HIS A 46 -3.384 -6.540 -0.887 1.00 0.00 C ATOM 713 C HIS A 46 -2.250 -5.596 -1.430 1.00 0.00 C ATOM 714 O HIS A 46 -2.417 -5.066 -2.528 1.00 0.00 O ATOM 715 CB HIS A 46 -4.391 -5.758 -0.015 1.00 0.00 C ATOM 716 CG HIS A 46 -5.747 -6.461 0.152 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.642 -6.667 -0.888 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.242 -7.023 1.337 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.612 -7.366 -0.221 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.466 -7.616 1.115 1.00 0.00 N ATOM 0 H HIS A 46 -3.081 -7.769 0.822 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.885 -6.908 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.954 -5.595 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.554 -4.776 -0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.735 -6.995 2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.487 -7.718 -0.747 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.086 -8.103 1.763 1.00 0.00 H new ATOM 728 N LEU A 47 -1.104 -5.441 -0.743 1.00 0.00 N ATOM 729 CA LEU A 47 0.151 -4.928 -1.378 1.00 0.00 C ATOM 730 C LEU A 47 0.603 -5.713 -2.675 1.00 0.00 C ATOM 731 O LEU A 47 0.791 -5.085 -3.720 1.00 0.00 O ATOM 732 CB LEU A 47 1.294 -4.917 -0.324 1.00 0.00 C ATOM 733 CG LEU A 47 1.186 -3.864 0.801 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.182 -4.199 1.926 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.503 -2.460 0.286 1.00 0.00 C ATOM 0 H LEU A 47 -1.008 -5.659 0.249 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.071 -3.917 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.343 -5.904 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.238 -4.762 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 47 0.161 -3.885 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.102 -3.453 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.954 -5.185 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.196 -4.197 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.417 -1.745 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.518 -2.438 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.800 -2.195 -0.503 1.00 0.00 H new ATOM 747 N LYS A 48 0.691 -7.051 -2.627 1.00 0.00 N ATOM 748 CA LYS A 48 0.831 -7.909 -3.841 1.00 0.00 C ATOM 749 C LYS A 48 -0.214 -7.672 -4.985 1.00 0.00 C ATOM 750 O LYS A 48 0.208 -7.550 -6.132 1.00 0.00 O ATOM 751 CB LYS A 48 0.862 -9.395 -3.402 1.00 0.00 C ATOM 752 CG LYS A 48 2.248 -10.039 -3.237 1.00 0.00 C ATOM 753 CD LYS A 48 3.202 -9.328 -2.271 1.00 0.00 C ATOM 754 CE LYS A 48 4.434 -10.184 -1.965 1.00 0.00 C ATOM 755 NZ LYS A 48 5.446 -9.351 -1.283 1.00 0.00 N ATOM 0 H LYS A 48 0.668 -7.579 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 48 1.771 -7.613 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.332 -9.480 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.301 -9.977 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.113 -11.065 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.724 -10.089 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.516 -8.378 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.678 -9.099 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.157 -11.030 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.845 -10.595 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.234 -9.951 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.803 -8.629 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.014 -8.885 -0.460 1.00 0.00 H new ATOM 768 N ALA A 49 -1.520 -7.541 -4.703 1.00 0.00 N ATOM 769 CA ALA A 49 -2.519 -7.099 -5.716 1.00 0.00 C ATOM 770 C ALA A 49 -2.244 -5.748 -6.476 1.00 0.00 C ATOM 771 O ALA A 49 -2.472 -5.688 -7.687 1.00 0.00 O ATOM 772 CB ALA A 49 -3.886 -7.093 -5.017 1.00 0.00 C ATOM 0 H ALA A 49 -1.919 -7.733 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.462 -7.812 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.654 -6.774 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.116 -8.097 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.860 -6.404 -4.173 1.00 0.00 H new ATOM 778 N LEU A 50 -1.724 -4.710 -5.800 1.00 0.00 N ATOM 779 CA LEU A 50 -1.180 -3.502 -6.475 1.00 0.00 C ATOM 780 C LEU A 50 0.145 -3.736 -7.309 1.00 0.00 C ATOM 781 O LEU A 50 0.218 -3.268 -8.447 1.00 0.00 O ATOM 782 CB LEU A 50 -0.976 -2.363 -5.445 1.00 0.00 C ATOM 783 CG LEU A 50 -2.182 -1.563 -4.919 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.187 -1.142 -5.991 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.910 -2.271 -3.780 1.00 0.00 C ATOM 0 H LEU A 50 -1.665 -4.676 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.932 -3.221 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.475 -2.797 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.283 -1.648 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.728 -0.649 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.001 -0.584 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.690 -0.512 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.588 -2.029 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.750 -1.660 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.277 -3.237 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.223 -2.423 -2.948 1.00 0.00 H new ATOM 797 N ALA A 51 1.156 -4.443 -6.783 1.00 0.00 N ATOM 798 CA ALA A 51 2.338 -4.868 -7.588 1.00 0.00 C ATOM 799 C ALA A 51 2.078 -5.832 -8.804 1.00 0.00 C ATOM 800 O ALA A 51 2.704 -5.656 -9.849 1.00 0.00 O ATOM 801 CB ALA A 51 3.348 -5.465 -6.600 1.00 0.00 C ATOM 0 H ALA A 51 1.190 -4.738 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 51 2.709 -3.979 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.236 -5.793 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.629 -4.710 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.898 -6.317 -6.090 1.00 0.00 H new ATOM 807 N ARG A 52 1.157 -6.795 -8.679 1.00 0.00 N ATOM 808 CA ARG A 52 0.714 -7.677 -9.795 1.00 0.00 C ATOM 809 C ARG A 52 -0.056 -6.969 -10.967 1.00 0.00 C ATOM 810 O ARG A 52 0.173 -7.330 -12.122 1.00 0.00 O ATOM 811 CB ARG A 52 -0.160 -8.816 -9.197 1.00 0.00 C ATOM 812 CG ARG A 52 0.617 -9.846 -8.348 1.00 0.00 C ATOM 813 CD ARG A 52 -0.334 -10.741 -7.541 1.00 0.00 C ATOM 814 NE ARG A 52 0.476 -11.673 -6.723 1.00 0.00 N ATOM 815 CZ ARG A 52 0.010 -12.466 -5.776 1.00 0.00 C ATOM 816 NH1 ARG A 52 -1.240 -12.534 -5.421 1.00 0.00 N ATOM 817 NH2 ARG A 52 0.859 -13.219 -5.167 1.00 0.00 N ATOM 0 H ARG A 52 0.686 -6.996 -7.797 1.00 0.00 H new ATOM 0 HA ARG A 52 1.625 -8.051 -10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.940 -8.371 -8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.659 -9.340 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.235 -10.464 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.292 -9.325 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.973 -10.133 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.990 -11.297 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 52 1.479 -11.705 -6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.935 -11.949 -5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.525 -13.173 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.846 -13.186 -5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.545 -13.848 -4.428 1.00 0.00 H new ATOM 830 N LYS A 53 -0.920 -5.971 -10.697 1.00 0.00 N ATOM 831 CA LYS A 53 -1.360 -5.004 -11.752 1.00 0.00 C ATOM 832 C LYS A 53 -0.213 -4.076 -12.316 1.00 0.00 C ATOM 833 O LYS A 53 -0.153 -3.865 -13.528 1.00 0.00 O ATOM 834 CB LYS A 53 -2.565 -4.202 -11.190 1.00 0.00 C ATOM 835 CG LYS A 53 -3.367 -3.463 -12.280 1.00 0.00 C ATOM 836 CD LYS A 53 -4.534 -2.611 -11.760 1.00 0.00 C ATOM 837 CE LYS A 53 -5.706 -3.416 -11.194 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.829 -2.498 -10.920 1.00 0.00 N ATOM 0 H LYS A 53 -1.328 -5.805 -9.777 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.663 -5.572 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.230 -4.883 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.202 -3.477 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.687 -2.819 -12.837 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.758 -4.198 -12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.161 -1.942 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.900 -1.984 -12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.012 -4.185 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.405 -3.927 -10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.873 -2.298 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.686 -1.610 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.720 -2.939 -11.225 1.00 0.00 H new ATOM 851 N GLY A 54 0.668 -3.557 -11.447 1.00 0.00 N ATOM 852 CA GLY A 54 1.948 -2.929 -11.863 1.00 0.00 C ATOM 853 C GLY A 54 2.203 -1.494 -11.374 1.00 0.00 C ATOM 854 O GLY A 54 2.594 -0.653 -12.184 1.00 0.00 O ATOM 0 H GLY A 54 0.521 -3.557 -10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.766 -3.559 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.989 -2.930 -12.952 1.00 0.00 H new ATOM 858 N VAL A 55 2.013 -1.215 -10.071 1.00 0.00 N ATOM 859 CA VAL A 55 2.038 0.188 -9.551 1.00 0.00 C ATOM 860 C VAL A 55 2.962 0.447 -8.307 1.00 0.00 C ATOM 861 O VAL A 55 3.521 1.543 -8.229 1.00 0.00 O ATOM 862 CB VAL A 55 0.610 0.813 -9.349 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.210 0.849 -10.658 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.261 0.164 -8.269 1.00 0.00 C ATOM 0 H VAL A 55 1.842 -1.924 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 55 2.519 0.724 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 55 0.851 1.820 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.188 1.290 -10.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.317 1.448 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.338 -0.166 -11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.221 0.677 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.423 -0.886 -8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.240 0.238 -7.304 1.00 0.00 H new ATOM 874 N ILE A 56 3.104 -0.484 -7.343 1.00 0.00 N ATOM 875 CA ILE A 56 3.967 -0.270 -6.140 1.00 0.00 C ATOM 876 C ILE A 56 5.289 -1.119 -6.161 1.00 0.00 C ATOM 877 O ILE A 56 5.312 -2.286 -6.562 1.00 0.00 O ATOM 878 CB ILE A 56 3.226 -0.456 -4.760 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.695 -1.874 -4.487 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.135 0.612 -4.563 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.327 -2.102 -3.022 1.00 0.00 C ATOM 0 H ILE A 56 2.639 -1.391 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 56 4.237 0.783 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 56 3.999 -0.310 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.818 -2.053 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.450 -2.602 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.643 0.457 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.588 1.603 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.400 0.534 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.959 -3.120 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.208 -1.953 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.551 -1.396 -2.728 1.00 0.00 H new ATOM 893 N GLU A 57 6.362 -0.520 -5.641 1.00 0.00 N ATOM 894 CA GLU A 57 7.666 -1.196 -5.427 1.00 0.00 C ATOM 895 C GLU A 57 7.769 -1.703 -3.952 1.00 0.00 C ATOM 896 O GLU A 57 7.752 -0.911 -3.005 1.00 0.00 O ATOM 897 CB GLU A 57 8.719 -0.130 -5.820 1.00 0.00 C ATOM 898 CG GLU A 57 10.167 -0.641 -5.905 1.00 0.00 C ATOM 899 CD GLU A 57 11.112 0.365 -6.555 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.629 0.177 -7.651 1.00 0.00 O ATOM 901 OE2 GLU A 57 11.309 1.483 -5.797 1.00 0.00 O ATOM 0 H GLU A 57 6.362 0.458 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 57 7.812 -2.095 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.442 0.292 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.679 0.682 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.525 -0.873 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.187 -1.571 -6.474 1.00 0.00 H new ATOM 909 N ILE A 58 7.835 -3.028 -3.765 1.00 0.00 N ATOM 910 CA ILE A 58 7.764 -3.661 -2.409 1.00 0.00 C ATOM 911 C ILE A 58 9.186 -4.171 -1.996 1.00 0.00 C ATOM 912 O ILE A 58 9.765 -5.037 -2.661 1.00 0.00 O ATOM 913 CB ILE A 58 6.711 -4.844 -2.392 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.275 -4.361 -2.746 1.00 0.00 C ATOM 915 CG2 ILE A 58 6.656 -5.560 -1.014 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.297 -5.495 -3.064 1.00 0.00 C ATOM 0 H ILE A 58 7.938 -3.697 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 58 7.431 -2.916 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 58 7.055 -5.544 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.882 -3.780 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.329 -3.691 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.920 -6.363 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.636 -5.976 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.373 -4.844 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.319 -5.076 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.664 -6.064 -3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.210 -6.154 -2.200 1.00 0.00 H new ATOM 928 N VAL A 59 9.703 -3.705 -0.850 1.00 0.00 N ATOM 929 CA VAL A 59 10.913 -4.309 -0.218 1.00 0.00 C ATOM 930 C VAL A 59 10.544 -5.586 0.609 1.00 0.00 C ATOM 931 O VAL A 59 9.799 -5.520 1.591 1.00 0.00 O ATOM 932 CB VAL A 59 11.711 -3.213 0.560 1.00 0.00 C ATOM 933 CG1 VAL A 59 11.168 -2.830 1.944 1.00 0.00 C ATOM 934 CG2 VAL A 59 13.196 -3.607 0.724 1.00 0.00 C ATOM 0 H VAL A 59 9.313 -2.916 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 59 11.594 -4.678 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 59 11.591 -2.334 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.804 -2.062 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.153 -2.446 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.161 -3.709 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.722 -2.823 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.265 -4.543 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.650 -3.733 -0.259 1.00 0.00 H new ATOM 944 N SER A 60 11.055 -6.754 0.204 1.00 0.00 N ATOM 945 CA SER A 60 10.838 -8.024 0.952 1.00 0.00 C ATOM 946 C SER A 60 12.022 -8.307 1.927 1.00 0.00 C ATOM 947 O SER A 60 13.034 -8.902 1.548 1.00 0.00 O ATOM 948 CB SER A 60 10.622 -9.159 -0.075 1.00 0.00 C ATOM 949 OG SER A 60 9.398 -8.981 -0.790 1.00 0.00 O ATOM 0 H SER A 60 11.624 -6.859 -0.636 1.00 0.00 H new ATOM 0 HA SER A 60 9.950 -7.951 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.456 -9.182 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.610 -10.120 0.438 1.00 0.00 H new ATOM 0 HG SER A 60 9.286 -9.711 -1.434 1.00 0.00 H new ATOM 955 N GLY A 61 11.896 -7.837 3.175 1.00 0.00 N ATOM 956 CA GLY A 61 12.992 -7.927 4.177 1.00 0.00 C ATOM 957 C GLY A 61 13.096 -6.725 5.129 1.00 0.00 C ATOM 958 O GLY A 61 12.948 -6.881 6.341 1.00 0.00 O ATOM 0 H GLY A 61 11.049 -7.388 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.850 -8.831 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.939 -8.038 3.649 1.00 0.00 H new ATOM 962 N ALA A 62 13.378 -5.537 4.580 1.00 0.00 N ATOM 963 CA ALA A 62 13.390 -4.279 5.365 1.00 0.00 C ATOM 964 C ALA A 62 11.971 -3.697 5.690 1.00 0.00 C ATOM 965 O ALA A 62 10.960 -4.074 5.091 1.00 0.00 O ATOM 966 CB ALA A 62 14.237 -3.292 4.540 1.00 0.00 C ATOM 0 H ALA A 62 13.603 -5.412 3.593 1.00 0.00 H new ATOM 0 HA ALA A 62 13.809 -4.468 6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.291 -2.336 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.243 -3.693 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.778 -3.148 3.562 1.00 0.00 H new ATOM 972 N SER A 63 11.909 -2.758 6.641 1.00 0.00 N ATOM 973 CA SER A 63 10.639 -2.081 7.013 1.00 0.00 C ATOM 974 C SER A 63 10.156 -0.988 6.009 1.00 0.00 C ATOM 975 O SER A 63 9.118 -1.171 5.369 1.00 0.00 O ATOM 976 CB SER A 63 10.756 -1.583 8.481 1.00 0.00 C ATOM 977 OG SER A 63 11.778 -0.599 8.664 1.00 0.00 O ATOM 0 H SER A 63 12.719 -2.442 7.174 1.00 0.00 H new ATOM 0 HA SER A 63 9.835 -2.814 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.799 -1.165 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.960 -2.434 9.131 1.00 0.00 H new ATOM 0 HG SER A 63 11.803 -0.324 9.604 1.00 0.00 H new ATOM 983 N ARG A 64 10.878 0.132 5.874 1.00 0.00 N ATOM 984 CA ARG A 64 10.399 1.322 5.120 1.00 0.00 C ATOM 985 C ARG A 64 10.776 1.293 3.600 1.00 0.00 C ATOM 986 O ARG A 64 11.677 1.986 3.122 1.00 0.00 O ATOM 987 CB ARG A 64 10.935 2.590 5.828 1.00 0.00 C ATOM 988 CG ARG A 64 10.253 2.947 7.160 1.00 0.00 C ATOM 989 CD ARG A 64 8.847 3.535 7.001 1.00 0.00 C ATOM 990 NE ARG A 64 8.402 4.034 8.322 1.00 0.00 N ATOM 991 CZ ARG A 64 7.337 4.786 8.534 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.493 5.157 7.615 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.134 5.183 9.743 1.00 0.00 N ATOM 0 H ARG A 64 11.807 0.249 6.278 1.00 0.00 H new ATOM 0 HA ARG A 64 9.309 1.321 5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.002 2.459 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.829 3.436 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.193 2.051 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.877 3.663 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.854 4.345 6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.158 2.777 6.629 1.00 0.00 H new ATOM 0 HE ARG A 64 8.963 3.776 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.631 4.865 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.693 5.740 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.782 4.914 10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.325 5.766 9.959 1.00 0.00 H new ATOM 1006 N GLY A 65 9.996 0.513 2.856 1.00 0.00 N ATOM 1007 CA GLY A 65 10.058 0.483 1.375 1.00 0.00 C ATOM 1008 C GLY A 65 8.755 0.023 0.697 1.00 0.00 C ATOM 1009 O GLY A 65 8.718 -1.021 0.047 1.00 0.00 O ATOM 0 H GLY A 65 9.300 -0.120 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.310 1.480 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.867 -0.181 1.070 1.00 0.00 H new ATOM 1013 N ILE A 66 7.717 0.840 0.842 1.00 0.00 N ATOM 1014 CA ILE A 66 6.361 0.590 0.267 1.00 0.00 C ATOM 1015 C ILE A 66 5.948 1.916 -0.466 1.00 0.00 C ATOM 1016 O ILE A 66 5.497 2.877 0.165 1.00 0.00 O ATOM 1017 CB ILE A 66 5.381 0.154 1.408 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.712 -1.224 2.051 1.00 0.00 C ATOM 1019 CG2 ILE A 66 3.897 0.157 0.989 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.716 -2.438 1.128 1.00 0.00 C ATOM 0 H ILE A 66 7.775 1.713 1.367 1.00 0.00 H new ATOM 0 HA ILE A 66 6.340 -0.227 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 66 5.539 0.928 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.694 -1.152 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.991 -1.407 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.280 -0.156 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.608 1.162 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.752 -0.533 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.961 -3.331 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.731 -2.556 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.459 -2.296 0.343 1.00 0.00 H new ATOM 1032 N ARG A 67 6.169 1.980 -1.786 1.00 0.00 N ATOM 1033 CA ARG A 67 6.137 3.262 -2.543 1.00 0.00 C ATOM 1034 C ARG A 67 5.557 3.103 -3.981 1.00 0.00 C ATOM 1035 O ARG A 67 5.893 2.162 -4.703 1.00 0.00 O ATOM 1036 CB ARG A 67 7.517 3.974 -2.521 1.00 0.00 C ATOM 1037 CG ARG A 67 8.751 3.335 -3.187 1.00 0.00 C ATOM 1038 CD ARG A 67 9.330 2.135 -2.430 1.00 0.00 C ATOM 1039 NE ARG A 67 10.697 1.829 -2.909 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.361 0.708 -2.672 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.864 -0.342 -2.091 1.00 0.00 N ATOM 1042 NH2 ARG A 67 12.584 0.649 -3.073 1.00 0.00 N ATOM 0 H ARG A 67 6.373 1.164 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 67 5.438 3.917 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.378 4.953 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.771 4.145 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.481 3.018 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.527 4.094 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.352 2.348 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.687 1.266 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 67 11.167 2.541 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.893 -0.341 -1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.445 -1.168 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.003 1.446 -3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.133 -0.195 -2.912 1.00 0.00 H new ATOM 1055 N LEU A 68 4.704 4.046 -4.398 1.00 0.00 N ATOM 1056 CA LEU A 68 4.151 4.089 -5.779 1.00 0.00 C ATOM 1057 C LEU A 68 5.181 4.618 -6.828 1.00 0.00 C ATOM 1058 O LEU A 68 5.862 5.629 -6.617 1.00 0.00 O ATOM 1059 CB LEU A 68 2.888 4.996 -5.775 1.00 0.00 C ATOM 1060 CG LEU A 68 1.617 4.320 -5.228 1.00 0.00 C ATOM 1061 CD1 LEU A 68 0.571 5.365 -4.842 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.004 3.396 -6.282 1.00 0.00 C ATOM 0 H LEU A 68 4.372 4.802 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 68 3.902 3.070 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.096 5.885 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.695 5.333 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 68 1.906 3.744 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.318 4.865 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.979 6.021 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.305 5.955 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.107 2.927 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.743 3.976 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.725 2.625 -6.554 1.00 0.00 H new ATOM 1074 N LEU A 69 5.240 3.944 -7.979 1.00 0.00 N ATOM 1075 CA LEU A 69 6.076 4.360 -9.136 1.00 0.00 C ATOM 1076 C LEU A 69 5.369 5.527 -9.921 1.00 0.00 C ATOM 1077 O LEU A 69 4.597 5.306 -10.855 1.00 0.00 O ATOM 1078 CB LEU A 69 6.320 3.114 -10.028 1.00 0.00 C ATOM 1079 CG LEU A 69 7.180 1.986 -9.402 1.00 0.00 C ATOM 1080 CD1 LEU A 69 7.068 0.726 -10.274 1.00 0.00 C ATOM 1081 CD2 LEU A 69 8.657 2.374 -9.275 1.00 0.00 C ATOM 0 H LEU A 69 4.711 3.088 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 69 7.040 4.745 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.352 2.695 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.801 3.441 -10.950 1.00 0.00 H new ATOM 0 HG LEU A 69 6.800 1.804 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.671 -0.072 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.026 0.409 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.428 0.946 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.213 1.548 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.062 2.594 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.748 3.256 -8.641 1.00 0.00 H new ATOM 1093 N GLN A 70 5.621 6.753 -9.424 1.00 0.00 N ATOM 1094 CA GLN A 70 4.732 7.941 -9.612 1.00 0.00 C ATOM 1095 C GLN A 70 3.457 7.871 -8.705 1.00 0.00 C ATOM 1096 O GLN A 70 2.689 6.907 -8.748 1.00 0.00 O ATOM 1097 CB GLN A 70 4.474 8.323 -11.086 1.00 0.00 C ATOM 1098 CG GLN A 70 3.651 9.603 -11.348 1.00 0.00 C ATOM 1099 CD GLN A 70 4.206 10.918 -10.825 1.00 0.00 C ATOM 1100 OE1 GLN A 70 4.497 11.089 -9.646 1.00 0.00 O ATOM 1101 NE2 GLN A 70 4.319 11.922 -11.654 1.00 0.00 N ATOM 0 H GLN A 70 6.454 6.960 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 70 5.294 8.801 -9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.439 8.434 -11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.964 7.489 -11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.516 9.700 -12.425 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.661 9.460 -10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.082 11.800 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.644 12.828 -11.317 1.00 0.00 H new ATOM 1110 N GLU A 71 3.229 8.914 -7.892 1.00 0.00 N ATOM 1111 CA GLU A 71 2.118 8.939 -6.897 1.00 0.00 C ATOM 1112 C GLU A 71 0.731 9.365 -7.519 1.00 0.00 C ATOM 1113 O GLU A 71 0.182 10.429 -7.222 1.00 0.00 O ATOM 1114 CB GLU A 71 2.523 9.886 -5.733 1.00 0.00 C ATOM 1115 CG GLU A 71 3.787 9.542 -4.920 1.00 0.00 C ATOM 1116 CD GLU A 71 3.731 8.270 -4.095 1.00 0.00 C ATOM 1117 OE1 GLU A 71 2.789 7.972 -3.371 1.00 0.00 O ATOM 1118 OE2 GLU A 71 4.846 7.497 -4.249 1.00 0.00 O ATOM 0 H GLU A 71 3.797 9.761 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 71 1.969 7.924 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.656 10.885 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.684 9.938 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.627 9.465 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.000 10.375 -4.250 1.00 0.00 H new ATOM 1126 N GLU A 72 0.178 8.514 -8.395 1.00 0.00 N ATOM 1127 CA GLU A 72 -1.047 8.836 -9.168 1.00 0.00 C ATOM 1128 C GLU A 72 -1.940 7.569 -9.316 1.00 0.00 C ATOM 1129 O GLU A 72 -3.066 7.475 -8.836 1.00 0.00 O ATOM 1130 CB GLU A 72 -0.708 9.430 -10.564 1.00 0.00 C ATOM 1131 CG GLU A 72 -0.121 10.856 -10.533 1.00 0.00 C ATOM 1132 CD GLU A 72 0.121 11.437 -11.916 1.00 0.00 C ATOM 1133 OE1 GLU A 72 1.193 11.361 -12.508 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -0.991 12.047 -12.416 1.00 0.00 O ATOM 0 H GLU A 72 0.558 7.588 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.598 9.596 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.003 8.770 -11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.614 9.438 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.801 11.509 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.820 10.842 -9.983 1.00 0.00 H new TER 1142 GLU A 72