USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= -0.0529 USER MOD Set 1.2: A 16 GLN : amide:sc= -0.197 K(o=-0.25,f=0.83) USER MOD Single : A 18 GLN : amide:sc= -1.5! C(o=-1.5!,f=-5.6!) USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.0838 USER MOD Single : A 23 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -119:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7.5!) USER MOD Single : A 28 THR OG1 : rot -34:sc= -2.35! USER MOD Single : A 33 GLN : amide:sc= 0.809 K(o=0.81,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 44 THR OG1 : rot -26:sc= 0.202 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 1.04 K(o=1,f=-3.9!) USER MOD Single : A 64 ASN : amide:sc= -1.96! K(o=-2!,f=-0.037) USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 THR OG1 : rot -42:sc= 0.7 USER MOD Single : A 70 SER OG : rot 172:sc= 0.412 USER MOD Single : A 74 THR OG1 : rot -34:sc= 0.96 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.200 3.445 5.593 1.00 0.00 N ATOM 2 CA GLY A 10 10.264 4.547 5.764 1.00 0.00 C ATOM 3 C GLY A 10 9.355 4.761 4.566 1.00 0.00 C ATOM 4 O GLY A 10 8.532 3.903 4.252 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.652 4.360 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.824 5.463 5.954 1.00 0.00 H new ATOM 8 N PRO A 11 9.470 5.915 3.888 1.00 0.00 N ATOM 9 CA PRO A 11 8.671 6.216 2.703 1.00 0.00 C ATOM 10 C PRO A 11 9.094 5.367 1.512 1.00 0.00 C ATOM 11 O PRO A 11 10.243 4.930 1.418 1.00 0.00 O ATOM 12 CB PRO A 11 8.945 7.701 2.425 1.00 0.00 C ATOM 13 CG PRO A 11 9.702 8.204 3.610 1.00 0.00 C ATOM 14 CD PRO A 11 10.386 7.010 4.211 1.00 0.00 C ATOM 0 HA PRO A 11 7.614 6.002 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.523 7.827 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.014 8.252 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.429 8.961 3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.031 8.671 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.375 6.851 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.521 7.120 5.287 1.00 0.00 H new ATOM 22 N PHE A 12 8.170 5.139 0.602 1.00 0.00 N ATOM 23 CA PHE A 12 8.417 4.254 -0.525 1.00 0.00 C ATOM 24 C PHE A 12 8.368 4.988 -1.848 1.00 0.00 C ATOM 25 O PHE A 12 8.264 6.212 -1.906 1.00 0.00 O ATOM 26 CB PHE A 12 7.413 3.098 -0.524 1.00 0.00 C ATOM 27 CG PHE A 12 5.967 3.526 -0.436 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.412 3.911 0.777 1.00 0.00 C ATOM 29 CD2 PHE A 12 5.158 3.526 -1.562 1.00 0.00 C ATOM 30 CE1 PHE A 12 4.087 4.295 0.863 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.830 3.907 -1.478 1.00 0.00 C ATOM 32 CZ PHE A 12 3.297 4.292 -0.264 1.00 0.00 C ATOM 0 H PHE A 12 7.238 5.554 0.618 1.00 0.00 H new ATOM 0 HA PHE A 12 9.425 3.856 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.551 2.512 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.636 2.440 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.025 3.910 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.568 3.226 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.672 4.597 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.210 3.903 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.261 4.591 -0.199 1.00 0.00 H new ATOM 42 N THR A 13 8.501 4.224 -2.909 1.00 0.00 N ATOM 43 CA THR A 13 8.473 4.758 -4.243 1.00 0.00 C ATOM 44 C THR A 13 7.417 4.024 -5.058 1.00 0.00 C ATOM 45 O THR A 13 7.029 2.914 -4.694 1.00 0.00 O ATOM 46 CB THR A 13 9.848 4.607 -4.905 1.00 0.00 C ATOM 47 OG1 THR A 13 10.879 4.640 -3.906 1.00 0.00 O ATOM 48 CG2 THR A 13 10.075 5.726 -5.893 1.00 0.00 C ATOM 0 H THR A 13 8.632 3.213 -2.866 1.00 0.00 H new ATOM 0 HA THR A 13 8.225 5.819 -4.200 1.00 0.00 H new ATOM 0 HB THR A 13 9.879 3.652 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.754 4.541 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.054 5.609 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.303 5.695 -6.662 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.032 6.684 -5.374 1.00 0.00 H new ATOM 56 N ARG A 14 6.953 4.631 -6.148 1.00 0.00 N ATOM 57 CA ARG A 14 5.934 4.006 -6.991 1.00 0.00 C ATOM 58 C ARG A 14 6.415 2.654 -7.490 1.00 0.00 C ATOM 59 O ARG A 14 5.696 1.661 -7.413 1.00 0.00 O ATOM 60 CB ARG A 14 5.593 4.890 -8.185 1.00 0.00 C ATOM 61 CG ARG A 14 4.361 4.412 -8.937 1.00 0.00 C ATOM 62 CD ARG A 14 3.953 5.365 -10.046 1.00 0.00 C ATOM 63 NE ARG A 14 2.829 4.833 -10.812 1.00 0.00 N ATOM 64 CZ ARG A 14 1.634 5.413 -10.889 1.00 0.00 C ATOM 65 NH1 ARG A 14 1.405 6.567 -10.268 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.666 4.844 -11.592 1.00 0.00 N ATOM 0 H ARG A 14 7.263 5.549 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 14 5.039 3.873 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.430 5.911 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.443 4.916 -8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.557 3.428 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.533 4.298 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.681 6.330 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.800 5.538 -10.710 1.00 0.00 H new ATOM 0 HE ARG A 14 2.969 3.960 -11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.148 7.012 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.487 7.007 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.837 3.961 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.250 5.288 -11.651 1.00 0.00 H new ATOM 80 N ARG A 15 7.639 2.647 -8.008 1.00 0.00 N ATOM 81 CA ARG A 15 8.305 1.418 -8.449 1.00 0.00 C ATOM 82 C ARG A 15 8.160 0.309 -7.404 1.00 0.00 C ATOM 83 O ARG A 15 7.648 -0.777 -7.698 1.00 0.00 O ATOM 84 CB ARG A 15 9.790 1.706 -8.712 1.00 0.00 C ATOM 85 CG ARG A 15 10.620 0.477 -9.059 1.00 0.00 C ATOM 86 CD ARG A 15 10.142 -0.187 -10.337 1.00 0.00 C ATOM 87 NE ARG A 15 10.242 0.700 -11.496 1.00 0.00 N ATOM 88 CZ ARG A 15 9.909 0.344 -12.734 1.00 0.00 C ATOM 89 NH1 ARG A 15 9.519 -0.901 -12.990 1.00 0.00 N ATOM 90 NH2 ARG A 15 9.993 1.232 -13.717 1.00 0.00 N ATOM 0 H ARG A 15 8.200 3.490 -8.135 1.00 0.00 H new ATOM 0 HA ARG A 15 7.831 1.076 -9.369 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.869 2.424 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.217 2.180 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.666 0.764 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.570 -0.238 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.731 -1.086 -10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.106 -0.504 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 15 10.588 1.648 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.474 -1.587 -12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.264 -1.170 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.311 2.181 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.739 0.965 -14.668 1.00 0.00 H new ATOM 104 N GLN A 16 8.590 0.601 -6.180 1.00 0.00 N ATOM 105 CA GLN A 16 8.495 -0.358 -5.089 1.00 0.00 C ATOM 106 C GLN A 16 7.043 -0.711 -4.803 1.00 0.00 C ATOM 107 O GLN A 16 6.697 -1.885 -4.738 1.00 0.00 O ATOM 108 CB GLN A 16 9.162 0.179 -3.815 1.00 0.00 C ATOM 109 CG GLN A 16 10.674 -0.011 -3.770 1.00 0.00 C ATOM 110 CD GLN A 16 11.409 0.765 -4.847 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.620 0.269 -5.951 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.812 1.984 -4.532 1.00 0.00 N ATOM 0 H GLN A 16 9.007 1.495 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 16 9.023 -1.259 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.938 1.242 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.720 -0.317 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.043 0.299 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.903 -1.071 -3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.618 2.362 -3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.317 2.547 -5.216 1.00 0.00 H new ATOM 121 N ALA A 17 6.197 0.310 -4.662 1.00 0.00 N ATOM 122 CA ALA A 17 4.786 0.105 -4.332 1.00 0.00 C ATOM 123 C ALA A 17 4.121 -0.865 -5.298 1.00 0.00 C ATOM 124 O ALA A 17 3.466 -1.820 -4.881 1.00 0.00 O ATOM 125 CB ALA A 17 4.040 1.429 -4.332 1.00 0.00 C ATOM 0 H ALA A 17 6.465 1.288 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 17 4.744 -0.329 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.993 1.256 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.483 2.096 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.109 1.886 -5.319 1.00 0.00 H new ATOM 131 N GLN A 18 4.313 -0.627 -6.587 1.00 0.00 N ATOM 132 CA GLN A 18 3.717 -1.454 -7.618 1.00 0.00 C ATOM 133 C GLN A 18 4.151 -2.909 -7.485 1.00 0.00 C ATOM 134 O GLN A 18 3.345 -3.823 -7.654 1.00 0.00 O ATOM 135 CB GLN A 18 4.092 -0.919 -8.994 1.00 0.00 C ATOM 136 CG GLN A 18 3.433 0.412 -9.332 1.00 0.00 C ATOM 137 CD GLN A 18 3.672 0.840 -10.768 1.00 0.00 C ATOM 138 OE1 GLN A 18 3.746 2.033 -11.068 1.00 0.00 O ATOM 139 NE2 GLN A 18 3.772 -0.126 -11.669 1.00 0.00 N ATOM 0 H GLN A 18 4.883 0.140 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 18 2.634 -1.416 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.174 -0.802 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.814 -1.655 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.360 0.336 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.814 1.181 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.705 -1.102 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.916 0.106 -12.652 1.00 0.00 H new ATOM 148 N ALA A 19 5.422 -3.116 -7.165 1.00 0.00 N ATOM 149 CA ALA A 19 5.964 -4.460 -6.992 1.00 0.00 C ATOM 150 C ALA A 19 5.353 -5.170 -5.778 1.00 0.00 C ATOM 151 O ALA A 19 5.270 -6.404 -5.738 1.00 0.00 O ATOM 152 CB ALA A 19 7.479 -4.401 -6.862 1.00 0.00 C ATOM 0 H ALA A 19 6.100 -2.368 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 19 5.701 -5.039 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.873 -5.409 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.904 -3.957 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.747 -3.794 -5.997 1.00 0.00 H new ATOM 158 N VAL A 20 4.863 -4.396 -4.816 1.00 0.00 N ATOM 159 CA VAL A 20 4.369 -4.973 -3.578 1.00 0.00 C ATOM 160 C VAL A 20 2.915 -5.300 -3.783 1.00 0.00 C ATOM 161 O VAL A 20 2.347 -6.169 -3.137 1.00 0.00 O ATOM 162 CB VAL A 20 4.507 -4.013 -2.374 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.222 -4.738 -1.070 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.888 -3.385 -2.329 1.00 0.00 C ATOM 0 H VAL A 20 4.799 -3.379 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 20 4.962 -5.858 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 20 3.772 -3.218 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.325 -4.043 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.207 -5.134 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.929 -5.558 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.955 -2.715 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.641 -4.168 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.061 -2.821 -3.245 1.00 0.00 H new ATOM 174 N THR A 21 2.346 -4.605 -4.742 1.00 0.00 N ATOM 175 CA THR A 21 0.955 -4.732 -5.074 1.00 0.00 C ATOM 176 C THR A 21 0.744 -5.863 -6.072 1.00 0.00 C ATOM 177 O THR A 21 -0.297 -6.520 -6.079 1.00 0.00 O ATOM 178 CB THR A 21 0.448 -3.411 -5.652 1.00 0.00 C ATOM 179 OG1 THR A 21 0.875 -2.316 -4.829 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.046 -3.420 -5.706 1.00 0.00 C ATOM 0 H THR A 21 2.847 -3.928 -5.318 1.00 0.00 H new ATOM 0 HA THR A 21 0.393 -4.969 -4.170 1.00 0.00 H new ATOM 0 HB THR A 21 0.854 -3.293 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.820 -2.124 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.401 -2.476 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.382 -4.242 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.446 -3.549 -4.700 1.00 0.00 H new ATOM 188 N THR A 22 1.736 -6.094 -6.919 1.00 0.00 N ATOM 189 CA THR A 22 1.723 -7.272 -7.758 1.00 0.00 C ATOM 190 C THR A 22 1.909 -8.502 -6.885 1.00 0.00 C ATOM 191 O THR A 22 1.381 -9.573 -7.175 1.00 0.00 O ATOM 192 CB THR A 22 2.813 -7.219 -8.844 1.00 0.00 C ATOM 193 OG1 THR A 22 4.022 -6.684 -8.295 1.00 0.00 O ATOM 194 CG2 THR A 22 2.364 -6.369 -10.023 1.00 0.00 C ATOM 0 H THR A 22 2.547 -5.488 -7.040 1.00 0.00 H new ATOM 0 HA THR A 22 0.763 -7.317 -8.272 1.00 0.00 H new ATOM 0 HB THR A 22 2.992 -8.234 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.070 -6.898 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.151 -6.347 -10.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.459 -6.796 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.159 -5.354 -9.683 1.00 0.00 H new ATOM 202 N THR A 23 2.651 -8.324 -5.795 1.00 0.00 N ATOM 203 CA THR A 23 2.807 -9.373 -4.808 1.00 0.00 C ATOM 204 C THR A 23 1.547 -9.516 -3.940 1.00 0.00 C ATOM 205 O THR A 23 1.030 -10.619 -3.777 1.00 0.00 O ATOM 206 CB THR A 23 4.040 -9.111 -3.926 1.00 0.00 C ATOM 207 OG1 THR A 23 5.196 -8.938 -4.760 1.00 0.00 O ATOM 208 CG2 THR A 23 4.282 -10.261 -2.959 1.00 0.00 C ATOM 0 H THR A 23 3.151 -7.462 -5.579 1.00 0.00 H new ATOM 0 HA THR A 23 2.955 -10.311 -5.343 1.00 0.00 H new ATOM 0 HB THR A 23 3.858 -8.208 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.231 -8.014 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.160 -10.046 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.413 -10.382 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.447 -11.180 -3.521 1.00 0.00 H new ATOM 216 N TYR A 24 1.051 -8.415 -3.374 1.00 0.00 N ATOM 217 CA TYR A 24 -0.162 -8.458 -2.586 1.00 0.00 C ATOM 218 C TYR A 24 -1.271 -7.682 -3.293 1.00 0.00 C ATOM 219 O TYR A 24 -1.289 -6.454 -3.281 1.00 0.00 O ATOM 220 CB TYR A 24 0.092 -7.876 -1.195 1.00 0.00 C ATOM 221 CG TYR A 24 1.262 -8.498 -0.470 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.124 -9.686 0.225 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.508 -7.887 -0.489 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.198 -10.253 0.881 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.585 -8.445 0.165 1.00 0.00 C ATOM 226 CZ TYR A 24 3.426 -9.630 0.846 1.00 0.00 C ATOM 227 OH TYR A 24 4.494 -10.189 1.500 1.00 0.00 O ATOM 0 H TYR A 24 1.475 -7.490 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.476 -9.496 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.264 -6.804 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.806 -8.004 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.162 -10.177 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.636 -6.958 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.076 -11.181 1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.547 -7.955 0.143 1.00 0.00 H new ATOM 0 HH TYR A 24 5.286 -9.625 1.375 1.00 0.00 H new ATOM 237 N SER A 25 -2.176 -8.409 -3.926 1.00 0.00 N ATOM 238 CA SER A 25 -3.286 -7.819 -4.658 1.00 0.00 C ATOM 239 C SER A 25 -4.277 -7.117 -3.730 1.00 0.00 C ATOM 240 O SER A 25 -5.186 -6.422 -4.189 1.00 0.00 O ATOM 241 CB SER A 25 -3.998 -8.912 -5.447 1.00 0.00 C ATOM 242 OG SER A 25 -4.466 -9.936 -4.584 1.00 0.00 O ATOM 0 H SER A 25 -2.162 -9.429 -3.947 1.00 0.00 H new ATOM 0 HA SER A 25 -2.885 -7.063 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.836 -8.483 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.317 -9.336 -6.185 1.00 0.00 H new ATOM 0 HG SER A 25 -4.045 -10.787 -4.827 1.00 0.00 H new ATOM 248 N ASN A 26 -4.103 -7.302 -2.426 1.00 0.00 N ATOM 249 CA ASN A 26 -4.959 -6.647 -1.446 1.00 0.00 C ATOM 250 C ASN A 26 -4.525 -5.199 -1.259 1.00 0.00 C ATOM 251 O ASN A 26 -5.224 -4.404 -0.632 1.00 0.00 O ATOM 252 CB ASN A 26 -4.938 -7.376 -0.098 1.00 0.00 C ATOM 253 CG ASN A 26 -3.612 -7.248 0.631 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.549 -7.231 0.024 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.672 -7.159 1.950 1.00 0.00 N ATOM 0 H ASN A 26 -3.379 -7.898 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.980 -6.676 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.733 -6.980 0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.156 -8.432 -0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.814 -7.073 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.576 -7.177 2.422 1.00 0.00 H new ATOM 262 N ILE A 27 -3.351 -4.873 -1.786 1.00 0.00 N ATOM 263 CA ILE A 27 -2.878 -3.504 -1.798 1.00 0.00 C ATOM 264 C ILE A 27 -3.483 -2.802 -3.005 1.00 0.00 C ATOM 265 O ILE A 27 -3.709 -3.434 -4.037 1.00 0.00 O ATOM 266 CB ILE A 27 -1.338 -3.416 -1.895 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.662 -4.528 -1.085 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.857 -2.045 -1.442 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.824 -4.326 -0.894 1.00 0.00 C ATOM 0 H ILE A 27 -2.711 -5.544 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.179 -3.033 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.057 -3.555 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.139 -4.594 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.828 -5.482 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.229 -1.998 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.298 -1.277 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.158 -1.877 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.232 -5.152 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.314 -4.291 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.999 -3.389 -0.365 1.00 0.00 H new ATOM 281 N THR A 28 -3.759 -1.517 -2.892 1.00 0.00 N ATOM 282 CA THR A 28 -4.356 -0.792 -3.999 1.00 0.00 C ATOM 283 C THR A 28 -3.751 0.593 -4.140 1.00 0.00 C ATOM 284 O THR A 28 -3.675 1.348 -3.170 1.00 0.00 O ATOM 285 CB THR A 28 -5.889 -0.685 -3.854 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.251 -0.516 -2.477 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.580 -1.918 -4.418 1.00 0.00 C ATOM 0 H THR A 28 -3.583 -0.959 -2.057 1.00 0.00 H new ATOM 0 HA THR A 28 -4.139 -1.362 -4.902 1.00 0.00 H new ATOM 0 HB THR A 28 -6.217 0.186 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.627 -1.017 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.659 -1.815 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.336 -2.020 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.240 -2.803 -3.881 1.00 0.00 H new ATOM 295 N LEU A 29 -3.302 0.906 -5.346 1.00 0.00 N ATOM 296 CA LEU A 29 -2.754 2.216 -5.640 1.00 0.00 C ATOM 297 C LEU A 29 -3.897 3.169 -5.950 1.00 0.00 C ATOM 298 O LEU A 29 -4.483 3.134 -7.033 1.00 0.00 O ATOM 299 CB LEU A 29 -1.766 2.132 -6.815 1.00 0.00 C ATOM 300 CG LEU A 29 -0.780 3.305 -6.948 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.359 2.930 -7.879 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.473 4.560 -7.462 1.00 0.00 C ATOM 0 H LEU A 29 -3.308 0.265 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.204 2.590 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.193 1.210 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.337 2.056 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.383 3.518 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.050 3.769 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.887 2.065 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.041 2.687 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.747 5.369 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.906 4.361 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.262 4.850 -6.768 1.00 0.00 H new ATOM 314 N GLU A 30 -4.219 4.002 -4.983 1.00 0.00 N ATOM 315 CA GLU A 30 -5.344 4.905 -5.092 1.00 0.00 C ATOM 316 C GLU A 30 -4.875 6.345 -5.132 1.00 0.00 C ATOM 317 O GLU A 30 -3.762 6.657 -4.705 1.00 0.00 O ATOM 318 CB GLU A 30 -6.305 4.693 -3.924 1.00 0.00 C ATOM 319 CG GLU A 30 -7.603 4.017 -4.326 1.00 0.00 C ATOM 320 CD GLU A 30 -8.450 4.897 -5.221 1.00 0.00 C ATOM 321 OE1 GLU A 30 -8.208 4.926 -6.444 1.00 0.00 O ATOM 322 OE2 GLU A 30 -9.369 5.565 -4.700 1.00 0.00 O ATOM 0 H GLU A 30 -3.710 4.072 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.868 4.690 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.811 4.090 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.532 5.658 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.380 3.083 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.169 3.759 -3.431 1.00 0.00 H new ATOM 329 N ASP A 31 -5.738 7.209 -5.654 1.00 0.00 N ATOM 330 CA ASP A 31 -5.451 8.633 -5.778 1.00 0.00 C ATOM 331 C ASP A 31 -4.219 8.835 -6.648 1.00 0.00 C ATOM 332 O ASP A 31 -3.306 9.585 -6.307 1.00 0.00 O ATOM 333 CB ASP A 31 -5.261 9.274 -4.401 1.00 0.00 C ATOM 334 CG ASP A 31 -5.653 10.736 -4.397 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.857 11.027 -4.225 1.00 0.00 O ATOM 336 OD2 ASP A 31 -4.773 11.598 -4.571 1.00 0.00 O ATOM 0 H ASP A 31 -6.658 6.941 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.300 9.123 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.859 8.736 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.219 9.177 -4.097 1.00 0.00 H new ATOM 341 N ASP A 32 -4.215 8.150 -7.784 1.00 0.00 N ATOM 342 CA ASP A 32 -3.070 8.155 -8.683 1.00 0.00 C ATOM 343 C ASP A 32 -2.944 9.494 -9.398 1.00 0.00 C ATOM 344 O ASP A 32 -3.613 9.747 -10.402 1.00 0.00 O ATOM 345 CB ASP A 32 -3.191 7.026 -9.709 1.00 0.00 C ATOM 346 CG ASP A 32 -1.926 6.829 -10.532 1.00 0.00 C ATOM 347 OD1 ASP A 32 -1.001 7.667 -10.449 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.846 5.819 -11.267 1.00 0.00 O ATOM 0 H ASP A 32 -4.998 7.581 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.173 7.997 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.429 6.097 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.024 7.240 -10.379 1.00 0.00 H new ATOM 353 N GLN A 33 -2.103 10.352 -8.857 1.00 0.00 N ATOM 354 CA GLN A 33 -1.805 11.636 -9.463 1.00 0.00 C ATOM 355 C GLN A 33 -0.355 11.663 -9.933 1.00 0.00 C ATOM 356 O GLN A 33 0.252 12.727 -10.060 1.00 0.00 O ATOM 357 CB GLN A 33 -2.062 12.767 -8.463 1.00 0.00 C ATOM 358 CG GLN A 33 -3.533 12.986 -8.151 1.00 0.00 C ATOM 359 CD GLN A 33 -3.756 14.107 -7.155 1.00 0.00 C ATOM 360 OE1 GLN A 33 -3.852 15.276 -7.529 1.00 0.00 O ATOM 361 NE2 GLN A 33 -3.880 13.758 -5.885 1.00 0.00 N ATOM 0 H GLN A 33 -1.606 10.179 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.458 11.781 -10.324 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.532 12.547 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.642 13.692 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.067 13.213 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.958 12.064 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.794 12.778 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.062 14.469 -5.176 1.00 0.00 H new ATOM 370 N GLY A 34 0.191 10.480 -10.183 1.00 0.00 N ATOM 371 CA GLY A 34 1.559 10.371 -10.647 1.00 0.00 C ATOM 372 C GLY A 34 2.560 10.549 -9.526 1.00 0.00 C ATOM 373 O GLY A 34 3.085 9.569 -8.991 1.00 0.00 O ATOM 0 H GLY A 34 -0.293 9.589 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.706 9.396 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.741 11.122 -11.416 1.00 0.00 H new ATOM 377 N SER A 35 2.813 11.799 -9.164 1.00 0.00 N ATOM 378 CA SER A 35 3.747 12.120 -8.094 1.00 0.00 C ATOM 379 C SER A 35 3.065 12.010 -6.732 1.00 0.00 C ATOM 380 O SER A 35 3.723 11.943 -5.697 1.00 0.00 O ATOM 381 CB SER A 35 4.311 13.524 -8.304 1.00 0.00 C ATOM 382 OG SER A 35 4.931 13.633 -9.578 1.00 0.00 O ATOM 0 H SER A 35 2.380 12.613 -9.600 1.00 0.00 H new ATOM 0 HA SER A 35 4.568 11.404 -8.116 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.510 14.259 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.035 13.751 -7.521 1.00 0.00 H new ATOM 0 HG SER A 35 5.284 14.540 -9.693 1.00 0.00 H new ATOM 388 N HIS A 36 1.740 11.997 -6.738 1.00 0.00 N ATOM 389 CA HIS A 36 0.979 11.773 -5.518 1.00 0.00 C ATOM 390 C HIS A 36 0.127 10.531 -5.664 1.00 0.00 C ATOM 391 O HIS A 36 -0.458 10.301 -6.718 1.00 0.00 O ATOM 392 CB HIS A 36 0.086 12.968 -5.170 1.00 0.00 C ATOM 393 CG HIS A 36 0.828 14.149 -4.636 1.00 0.00 C ATOM 394 ND1 HIS A 36 0.635 15.434 -5.095 1.00 0.00 N ATOM 395 CD2 HIS A 36 1.743 14.240 -3.644 1.00 0.00 C ATOM 396 CE1 HIS A 36 1.397 16.260 -4.405 1.00 0.00 C ATOM 397 NE2 HIS A 36 2.079 15.563 -3.520 1.00 0.00 N ATOM 0 H HIS A 36 1.171 12.139 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 36 1.694 11.643 -4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.462 13.270 -6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.653 12.653 -4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.136 13.422 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.452 17.330 -4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.748 15.945 -2.852 1.00 0.00 H new ATOM 406 N PHE A 37 0.083 9.728 -4.614 1.00 0.00 N ATOM 407 CA PHE A 37 -0.731 8.524 -4.594 1.00 0.00 C ATOM 408 C PHE A 37 -0.756 7.943 -3.188 1.00 0.00 C ATOM 409 O PHE A 37 0.138 8.215 -2.383 1.00 0.00 O ATOM 410 CB PHE A 37 -0.204 7.479 -5.594 1.00 0.00 C ATOM 411 CG PHE A 37 1.200 7.011 -5.323 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.293 7.751 -5.756 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.429 5.829 -4.636 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.581 7.324 -5.506 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.716 5.397 -4.384 1.00 0.00 C ATOM 416 CZ PHE A 37 3.795 6.146 -4.819 1.00 0.00 C ATOM 0 H PHE A 37 0.608 9.891 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.745 8.790 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.870 6.616 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.246 7.902 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.132 8.673 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.591 5.239 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.421 7.911 -5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.880 4.474 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.802 5.810 -4.622 1.00 0.00 H new ATOM 426 N ARG A 38 -1.786 7.173 -2.890 1.00 0.00 N ATOM 427 CA ARG A 38 -1.879 6.494 -1.605 1.00 0.00 C ATOM 428 C ARG A 38 -2.155 5.014 -1.814 1.00 0.00 C ATOM 429 O ARG A 38 -2.726 4.623 -2.830 1.00 0.00 O ATOM 430 CB ARG A 38 -2.973 7.117 -0.731 1.00 0.00 C ATOM 431 CG ARG A 38 -4.367 7.035 -1.332 1.00 0.00 C ATOM 432 CD ARG A 38 -5.417 7.600 -0.390 1.00 0.00 C ATOM 433 NE ARG A 38 -6.752 7.594 -0.988 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.552 8.657 -1.013 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.154 9.800 -0.472 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.754 8.570 -1.568 1.00 0.00 N ATOM 0 H ARG A 38 -2.571 7.000 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.926 6.610 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.977 6.619 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.727 8.164 -0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.390 7.583 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.604 5.996 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.430 7.016 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.147 8.620 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.088 6.728 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.234 9.865 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.768 10.614 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.065 7.688 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.367 9.385 -1.587 1.00 0.00 H new ATOM 450 N LEU A 39 -1.744 4.192 -0.867 1.00 0.00 N ATOM 451 CA LEU A 39 -1.982 2.763 -0.964 1.00 0.00 C ATOM 452 C LEU A 39 -2.984 2.328 0.081 1.00 0.00 C ATOM 453 O LEU A 39 -2.899 2.715 1.243 1.00 0.00 O ATOM 454 CB LEU A 39 -0.691 1.963 -0.802 1.00 0.00 C ATOM 455 CG LEU A 39 0.392 2.267 -1.826 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.636 1.458 -1.522 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.102 1.975 -3.236 1.00 0.00 C ATOM 0 H LEU A 39 -1.247 4.486 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.381 2.564 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.289 2.149 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.931 0.901 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 39 0.638 3.327 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.406 1.683 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.002 1.713 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.397 0.395 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.688 2.199 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.375 0.923 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.973 2.593 -3.452 1.00 0.00 H new ATOM 469 N VAL A 40 -3.950 1.558 -0.358 1.00 0.00 N ATOM 470 CA VAL A 40 -4.950 1.002 0.526 1.00 0.00 C ATOM 471 C VAL A 40 -4.747 -0.503 0.689 1.00 0.00 C ATOM 472 O VAL A 40 -4.952 -1.272 -0.248 1.00 0.00 O ATOM 473 CB VAL A 40 -6.373 1.271 -0.009 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.422 0.804 0.983 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.559 2.749 -0.337 1.00 0.00 C ATOM 0 H VAL A 40 -4.067 1.298 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.839 1.488 1.495 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.500 0.700 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.416 1.005 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.309 -0.266 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.295 1.338 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.569 2.914 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.405 3.344 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.837 3.047 -1.097 1.00 0.00 H new ATOM 485 N VAL A 41 -4.305 -0.911 1.869 1.00 0.00 N ATOM 486 CA VAL A 41 -4.207 -2.320 2.202 1.00 0.00 C ATOM 487 C VAL A 41 -5.555 -2.801 2.715 1.00 0.00 C ATOM 488 O VAL A 41 -6.056 -2.301 3.726 1.00 0.00 O ATOM 489 CB VAL A 41 -3.152 -2.613 3.290 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.893 -4.104 3.368 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.850 -1.866 3.050 1.00 0.00 C ATOM 0 H VAL A 41 -4.008 -0.281 2.614 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.904 -2.840 1.293 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.554 -2.259 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.148 -4.304 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.819 -4.622 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.525 -4.460 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.141 -2.106 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.432 -2.163 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.041 -0.793 3.047 1.00 0.00 H new ATOM 501 N ARG A 42 -6.143 -3.749 2.018 1.00 0.00 N ATOM 502 CA ARG A 42 -7.450 -4.259 2.387 1.00 0.00 C ATOM 503 C ARG A 42 -7.327 -5.708 2.839 1.00 0.00 C ATOM 504 O ARG A 42 -6.349 -6.383 2.510 1.00 0.00 O ATOM 505 CB ARG A 42 -8.405 -4.150 1.197 1.00 0.00 C ATOM 506 CG ARG A 42 -8.274 -2.831 0.447 1.00 0.00 C ATOM 507 CD ARG A 42 -9.169 -2.775 -0.781 1.00 0.00 C ATOM 508 NE ARG A 42 -10.571 -2.562 -0.428 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.452 -1.945 -1.212 1.00 0.00 C ATOM 510 NH1 ARG A 42 -11.084 -1.502 -2.410 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.702 -1.779 -0.799 1.00 0.00 N ATOM 0 H ARG A 42 -5.737 -4.185 1.190 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.850 -3.667 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.214 -4.973 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.430 -4.261 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.527 -2.008 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.236 -2.689 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.834 -1.971 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.074 -3.705 -1.342 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.895 -2.908 0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.125 -1.635 -2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.761 -1.029 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.986 -2.124 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.379 -1.306 -1.398 1.00 0.00 H new ATOM 525 N ASP A 43 -8.299 -6.184 3.598 1.00 0.00 N ATOM 526 CA ASP A 43 -8.296 -7.577 4.032 1.00 0.00 C ATOM 527 C ASP A 43 -9.028 -8.429 3.004 1.00 0.00 C ATOM 528 O ASP A 43 -9.348 -7.956 1.915 1.00 0.00 O ATOM 529 CB ASP A 43 -8.944 -7.745 5.415 1.00 0.00 C ATOM 530 CG ASP A 43 -10.459 -7.762 5.371 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.063 -6.762 4.941 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.052 -8.793 5.762 1.00 0.00 O ATOM 0 H ASP A 43 -9.094 -5.636 3.926 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.260 -7.904 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.590 -8.673 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.616 -6.932 6.063 1.00 0.00 H new ATOM 537 N THR A 44 -9.313 -9.672 3.360 1.00 0.00 N ATOM 538 CA THR A 44 -9.971 -10.598 2.443 1.00 0.00 C ATOM 539 C THR A 44 -11.439 -10.216 2.233 1.00 0.00 C ATOM 540 O THR A 44 -12.087 -10.704 1.308 1.00 0.00 O ATOM 541 CB THR A 44 -9.863 -12.059 2.942 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.441 -12.962 1.990 1.00 0.00 O ATOM 543 CG2 THR A 44 -10.545 -12.236 4.291 1.00 0.00 C ATOM 0 H THR A 44 -9.100 -10.066 4.277 1.00 0.00 H new ATOM 0 HA THR A 44 -9.455 -10.527 1.485 1.00 0.00 H new ATOM 0 HB THR A 44 -8.803 -12.287 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.123 -12.492 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.451 -13.273 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.073 -11.584 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.600 -11.978 4.202 1.00 0.00 H new ATOM 551 N GLU A 45 -11.954 -9.343 3.095 1.00 0.00 N ATOM 552 CA GLU A 45 -13.317 -8.850 2.971 1.00 0.00 C ATOM 553 C GLU A 45 -13.320 -7.550 2.174 1.00 0.00 C ATOM 554 O GLU A 45 -14.358 -7.096 1.694 1.00 0.00 O ATOM 555 CB GLU A 45 -13.907 -8.620 4.361 1.00 0.00 C ATOM 556 CG GLU A 45 -15.417 -8.475 4.393 1.00 0.00 C ATOM 557 CD GLU A 45 -15.922 -8.183 5.789 1.00 0.00 C ATOM 558 OE1 GLU A 45 -15.548 -8.920 6.728 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.672 -7.201 5.960 1.00 0.00 O ATOM 0 H GLU A 45 -11.442 -8.962 3.891 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.926 -9.587 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.622 -9.453 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.460 -7.721 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.720 -7.672 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.878 -9.391 4.023 1.00 0.00 H new ATOM 566 N GLY A 46 -12.145 -6.952 2.042 1.00 0.00 N ATOM 567 CA GLY A 46 -12.011 -5.740 1.264 1.00 0.00 C ATOM 568 C GLY A 46 -12.083 -4.484 2.109 1.00 0.00 C ATOM 569 O GLY A 46 -12.221 -3.382 1.579 1.00 0.00 O ATOM 0 H GLY A 46 -11.278 -7.288 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.060 -5.759 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.798 -5.710 0.510 1.00 0.00 H new ATOM 573 N ARG A 47 -11.986 -4.640 3.419 1.00 0.00 N ATOM 574 CA ARG A 47 -12.013 -3.506 4.324 1.00 0.00 C ATOM 575 C ARG A 47 -10.650 -2.828 4.352 1.00 0.00 C ATOM 576 O ARG A 47 -9.626 -3.487 4.528 1.00 0.00 O ATOM 577 CB ARG A 47 -12.422 -3.970 5.722 1.00 0.00 C ATOM 578 CG ARG A 47 -13.904 -4.288 5.840 1.00 0.00 C ATOM 579 CD ARG A 47 -14.214 -5.118 7.074 1.00 0.00 C ATOM 580 NE ARG A 47 -13.661 -4.545 8.300 1.00 0.00 N ATOM 581 CZ ARG A 47 -14.271 -4.600 9.484 1.00 0.00 C ATOM 582 NH1 ARG A 47 -15.484 -5.127 9.578 1.00 0.00 N ATOM 583 NH2 ARG A 47 -13.670 -4.127 10.570 1.00 0.00 N ATOM 0 H ARG A 47 -11.888 -5.545 3.879 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.746 -2.780 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.845 -4.856 5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.165 -3.195 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.472 -3.358 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.231 -4.826 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.295 -5.213 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.817 -6.124 6.938 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.757 -4.076 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.949 -5.489 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.953 -5.170 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.738 -3.719 10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.141 -4.171 11.474 1.00 0.00 H new ATOM 597 N MET A 48 -10.645 -1.518 4.136 1.00 0.00 N ATOM 598 CA MET A 48 -9.410 -0.745 4.138 1.00 0.00 C ATOM 599 C MET A 48 -8.838 -0.626 5.541 1.00 0.00 C ATOM 600 O MET A 48 -9.318 0.157 6.362 1.00 0.00 O ATOM 601 CB MET A 48 -9.612 0.650 3.527 1.00 0.00 C ATOM 602 CG MET A 48 -10.969 1.288 3.804 1.00 0.00 C ATOM 603 SD MET A 48 -12.294 0.560 2.816 1.00 0.00 S ATOM 604 CE MET A 48 -13.663 1.639 3.230 1.00 0.00 C ATOM 0 H MET A 48 -11.485 -0.968 3.957 1.00 0.00 H new ATOM 0 HA MET A 48 -8.696 -1.285 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.833 1.312 3.906 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.474 0.580 2.448 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.208 1.179 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.913 2.357 3.598 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.556 1.315 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.848 1.597 4.303 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.419 2.662 2.944 1.00 0.00 H new ATOM 614 N VAL A 49 -7.813 -1.415 5.802 1.00 0.00 N ATOM 615 CA VAL A 49 -7.166 -1.434 7.101 1.00 0.00 C ATOM 616 C VAL A 49 -6.083 -0.359 7.169 1.00 0.00 C ATOM 617 O VAL A 49 -5.940 0.339 8.172 1.00 0.00 O ATOM 618 CB VAL A 49 -6.543 -2.819 7.378 1.00 0.00 C ATOM 619 CG1 VAL A 49 -5.949 -2.876 8.776 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.576 -3.919 7.186 1.00 0.00 C ATOM 0 H VAL A 49 -7.406 -2.058 5.123 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.921 -1.230 7.861 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.737 -2.978 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.516 -3.862 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.173 -2.117 8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.732 -2.690 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.118 -4.888 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.407 -3.762 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.945 -3.897 6.161 1.00 0.00 H new ATOM 630 N TRP A 50 -5.351 -0.213 6.077 1.00 0.00 N ATOM 631 CA TRP A 50 -4.262 0.752 5.998 1.00 0.00 C ATOM 632 C TRP A 50 -4.344 1.484 4.676 1.00 0.00 C ATOM 633 O TRP A 50 -4.069 0.916 3.632 1.00 0.00 O ATOM 634 CB TRP A 50 -2.908 0.038 6.138 1.00 0.00 C ATOM 635 CG TRP A 50 -1.727 0.961 6.308 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.040 1.213 7.459 1.00 0.00 C ATOM 637 CD2 TRP A 50 -1.099 1.749 5.296 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.018 2.100 7.219 1.00 0.00 N ATOM 639 CE2 TRP A 50 -0.036 2.446 5.899 1.00 0.00 C ATOM 640 CE3 TRP A 50 -1.331 1.928 3.941 1.00 0.00 C ATOM 641 CZ2 TRP A 50 0.791 3.307 5.181 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -0.524 2.778 3.234 1.00 0.00 C ATOM 643 CH2 TRP A 50 0.530 3.464 3.849 1.00 0.00 C ATOM 0 H TRP A 50 -5.492 -0.755 5.225 1.00 0.00 H new ATOM 0 HA TRP A 50 -4.351 1.471 6.812 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.953 -0.634 6.995 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.745 -0.581 5.255 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.267 0.778 8.421 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.645 2.443 7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.138 1.404 3.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.606 3.830 5.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.704 2.923 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.147 4.128 3.261 1.00 0.00 H new ATOM 654 N ARG A 51 -4.764 2.731 4.722 1.00 0.00 N ATOM 655 CA ARG A 51 -4.755 3.572 3.543 1.00 0.00 C ATOM 656 C ARG A 51 -4.103 4.899 3.886 1.00 0.00 C ATOM 657 O ARG A 51 -4.643 5.702 4.648 1.00 0.00 O ATOM 658 CB ARG A 51 -6.168 3.777 2.982 1.00 0.00 C ATOM 659 CG ARG A 51 -7.157 4.355 3.981 1.00 0.00 C ATOM 660 CD ARG A 51 -8.480 4.713 3.325 1.00 0.00 C ATOM 661 NE ARG A 51 -9.533 4.913 4.321 1.00 0.00 N ATOM 662 CZ ARG A 51 -10.769 5.324 4.045 1.00 0.00 C ATOM 663 NH1 ARG A 51 -11.107 5.664 2.804 1.00 0.00 N ATOM 664 NH2 ARG A 51 -11.666 5.414 5.022 1.00 0.00 N ATOM 0 H ARG A 51 -5.116 3.185 5.564 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.178 3.077 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.111 4.440 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.547 2.820 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.331 3.633 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.728 5.244 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.360 5.620 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.773 3.920 2.637 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.304 4.724 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.417 5.611 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.056 5.978 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.406 5.169 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.614 5.728 4.816 1.00 0.00 H new ATOM 678 N ALA A 52 -2.914 5.099 3.357 1.00 0.00 N ATOM 679 CA ALA A 52 -2.145 6.292 3.636 1.00 0.00 C ATOM 680 C ALA A 52 -1.280 6.639 2.436 1.00 0.00 C ATOM 681 O ALA A 52 -1.118 5.824 1.523 1.00 0.00 O ATOM 682 CB ALA A 52 -1.297 6.099 4.886 1.00 0.00 C ATOM 0 H ALA A 52 -2.456 4.443 2.725 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.827 7.122 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.725 7.006 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.945 5.889 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.613 5.264 4.736 1.00 0.00 H new ATOM 688 N TRP A 53 -0.737 7.844 2.434 1.00 0.00 N ATOM 689 CA TRP A 53 0.021 8.337 1.307 1.00 0.00 C ATOM 690 C TRP A 53 1.471 7.898 1.388 1.00 0.00 C ATOM 691 O TRP A 53 1.827 6.996 2.143 1.00 0.00 O ATOM 692 CB TRP A 53 -0.045 9.858 1.274 1.00 0.00 C ATOM 693 CG TRP A 53 -1.421 10.387 1.337 1.00 0.00 C ATOM 694 CD1 TRP A 53 -2.150 10.552 2.453 1.00 0.00 C ATOM 695 CD2 TRP A 53 -2.228 10.837 0.246 1.00 0.00 C ATOM 696 NE1 TRP A 53 -3.372 11.067 2.142 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.449 11.257 0.789 1.00 0.00 C ATOM 698 CE3 TRP A 53 -2.035 10.924 -1.136 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.483 11.760 0.004 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.061 11.421 -1.916 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.271 11.833 -1.344 1.00 0.00 C ATOM 0 H TRP A 53 -0.811 8.501 3.210 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.414 7.924 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.528 10.257 2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.432 10.215 0.361 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.816 10.311 3.451 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.112 11.278 2.811 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.104 10.609 -1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.416 12.080 0.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.928 11.493 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.053 12.217 -1.982 1.00 0.00 H new ATOM 712 N ASN A 54 2.304 8.573 0.622 1.00 0.00 N ATOM 713 CA ASN A 54 3.712 8.218 0.523 1.00 0.00 C ATOM 714 C ASN A 54 4.576 9.207 1.298 1.00 0.00 C ATOM 715 O ASN A 54 5.702 8.902 1.679 1.00 0.00 O ATOM 716 CB ASN A 54 4.139 8.188 -0.944 1.00 0.00 C ATOM 717 CG ASN A 54 5.548 7.661 -1.124 1.00 0.00 C ATOM 718 OD1 ASN A 54 6.011 6.827 -0.350 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.242 8.144 -2.144 1.00 0.00 N ATOM 0 H ASN A 54 2.032 9.376 0.055 1.00 0.00 H new ATOM 0 HA ASN A 54 3.850 7.228 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.446 7.565 -1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.074 9.194 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.196 7.824 -2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.822 8.836 -2.765 1.00 0.00 H new ATOM 726 N PHE A 55 4.033 10.392 1.556 1.00 0.00 N ATOM 727 CA PHE A 55 4.784 11.430 2.253 1.00 0.00 C ATOM 728 C PHE A 55 4.722 11.238 3.767 1.00 0.00 C ATOM 729 O PHE A 55 5.074 12.134 4.539 1.00 0.00 O ATOM 730 CB PHE A 55 4.304 12.835 1.852 1.00 0.00 C ATOM 731 CG PHE A 55 2.814 13.056 1.930 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.188 13.247 3.151 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.044 13.094 0.775 1.00 0.00 C ATOM 734 CE1 PHE A 55 0.826 13.467 3.222 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.680 13.317 0.842 1.00 0.00 C ATOM 736 CZ PHE A 55 0.073 13.504 2.067 1.00 0.00 C ATOM 0 H PHE A 55 3.083 10.657 1.295 1.00 0.00 H new ATOM 0 HA PHE A 55 5.827 11.338 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.797 13.566 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.631 13.035 0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.772 13.224 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.515 12.948 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.351 13.610 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.091 13.345 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.991 13.679 2.121 1.00 0.00 H new ATOM 746 N GLU A 56 4.291 10.056 4.184 1.00 0.00 N ATOM 747 CA GLU A 56 4.290 9.691 5.589 1.00 0.00 C ATOM 748 C GLU A 56 5.695 9.254 5.998 1.00 0.00 C ATOM 749 O GLU A 56 6.299 8.412 5.330 1.00 0.00 O ATOM 750 CB GLU A 56 3.280 8.568 5.851 1.00 0.00 C ATOM 751 CG GLU A 56 1.844 8.942 5.502 1.00 0.00 C ATOM 752 CD GLU A 56 1.292 10.036 6.393 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.531 11.226 6.108 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.611 9.709 7.392 1.00 0.00 O ATOM 0 H GLU A 56 3.935 9.330 3.562 1.00 0.00 H new ATOM 0 HA GLU A 56 3.995 10.555 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.568 7.690 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.327 8.287 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.800 9.269 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.212 8.058 5.585 1.00 0.00 H new ATOM 761 N PRO A 57 6.219 9.825 7.103 1.00 0.00 N ATOM 762 CA PRO A 57 7.616 9.638 7.542 1.00 0.00 C ATOM 763 C PRO A 57 8.099 8.190 7.483 1.00 0.00 C ATOM 764 O PRO A 57 9.247 7.926 7.114 1.00 0.00 O ATOM 765 CB PRO A 57 7.587 10.133 8.987 1.00 0.00 C ATOM 766 CG PRO A 57 6.519 11.168 9.004 1.00 0.00 C ATOM 767 CD PRO A 57 5.472 10.701 8.030 1.00 0.00 C ATOM 0 HA PRO A 57 8.310 10.169 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.365 9.322 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.549 10.551 9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.100 11.279 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.915 12.141 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.670 10.160 8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.011 11.538 7.506 1.00 0.00 H new ATOM 775 N ASP A 58 7.229 7.260 7.846 1.00 0.00 N ATOM 776 CA ASP A 58 7.565 5.847 7.789 1.00 0.00 C ATOM 777 C ASP A 58 6.350 5.049 7.333 1.00 0.00 C ATOM 778 O ASP A 58 5.860 4.171 8.046 1.00 0.00 O ATOM 779 CB ASP A 58 8.042 5.351 9.156 1.00 0.00 C ATOM 780 CG ASP A 58 8.906 4.108 9.064 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.668 3.262 8.174 1.00 0.00 O ATOM 782 OD2 ASP A 58 9.835 3.971 9.889 1.00 0.00 O ATOM 0 H ASP A 58 6.287 7.458 8.183 1.00 0.00 H new ATOM 0 HA ASP A 58 8.375 5.707 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.606 6.144 9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.176 5.140 9.783 1.00 0.00 H new ATOM 787 N ALA A 59 5.856 5.377 6.141 1.00 0.00 N ATOM 788 CA ALA A 59 4.690 4.701 5.583 1.00 0.00 C ATOM 789 C ALA A 59 4.913 3.191 5.501 1.00 0.00 C ATOM 790 O ALA A 59 3.991 2.396 5.714 1.00 0.00 O ATOM 791 CB ALA A 59 4.374 5.264 4.205 1.00 0.00 C ATOM 0 H ALA A 59 6.246 6.107 5.544 1.00 0.00 H new ATOM 0 HA ALA A 59 3.843 4.878 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.502 4.754 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.165 6.331 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.228 5.111 3.545 1.00 0.00 H new ATOM 797 N GLY A 60 6.150 2.807 5.216 1.00 0.00 N ATOM 798 CA GLY A 60 6.490 1.409 5.064 1.00 0.00 C ATOM 799 C GLY A 60 6.273 0.596 6.319 1.00 0.00 C ATOM 800 O GLY A 60 5.828 -0.547 6.239 1.00 0.00 O ATOM 0 H GLY A 60 6.932 3.449 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.893 0.984 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.535 1.328 4.764 1.00 0.00 H new ATOM 804 N GLU A 61 6.560 1.179 7.476 1.00 0.00 N ATOM 805 CA GLU A 61 6.468 0.451 8.736 1.00 0.00 C ATOM 806 C GLU A 61 5.046 -0.054 8.955 1.00 0.00 C ATOM 807 O GLU A 61 4.832 -1.241 9.202 1.00 0.00 O ATOM 808 CB GLU A 61 6.923 1.349 9.892 1.00 0.00 C ATOM 809 CG GLU A 61 7.163 0.624 11.210 1.00 0.00 C ATOM 810 CD GLU A 61 5.910 0.463 12.045 1.00 0.00 C ATOM 811 OE1 GLU A 61 5.517 1.430 12.731 1.00 0.00 O ATOM 812 OE2 GLU A 61 5.321 -0.632 12.041 1.00 0.00 O ATOM 0 H GLU A 61 6.857 2.150 7.569 1.00 0.00 H new ATOM 0 HA GLU A 61 7.127 -0.416 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.843 1.855 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.171 2.122 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.582 -0.361 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.907 1.172 11.787 1.00 0.00 H new ATOM 819 N GLY A 62 4.076 0.847 8.826 1.00 0.00 N ATOM 820 CA GLY A 62 2.683 0.468 8.985 1.00 0.00 C ATOM 821 C GLY A 62 2.264 -0.601 7.989 1.00 0.00 C ATOM 822 O GLY A 62 1.580 -1.564 8.344 1.00 0.00 O ATOM 0 H GLY A 62 4.230 1.833 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.521 0.102 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.052 1.348 8.859 1.00 0.00 H new ATOM 826 N LEU A 63 2.693 -0.430 6.745 1.00 0.00 N ATOM 827 CA LEU A 63 2.429 -1.406 5.693 1.00 0.00 C ATOM 828 C LEU A 63 3.009 -2.767 6.051 1.00 0.00 C ATOM 829 O LEU A 63 2.321 -3.785 5.968 1.00 0.00 O ATOM 830 CB LEU A 63 3.020 -0.915 4.371 1.00 0.00 C ATOM 831 CG LEU A 63 2.255 0.231 3.710 1.00 0.00 C ATOM 832 CD1 LEU A 63 3.173 1.038 2.813 1.00 0.00 C ATOM 833 CD2 LEU A 63 1.093 -0.315 2.900 1.00 0.00 C ATOM 0 H LEU A 63 3.229 0.381 6.438 1.00 0.00 H new ATOM 0 HA LEU A 63 1.349 -1.515 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.047 -0.594 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.062 -1.753 3.675 1.00 0.00 H new ATOM 0 HG LEU A 63 1.870 0.884 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.610 1.849 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.988 1.453 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.582 0.392 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.555 0.510 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.471 -0.985 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.418 -0.863 3.557 1.00 0.00 H new ATOM 845 N ASN A 64 4.271 -2.783 6.473 1.00 0.00 N ATOM 846 CA ASN A 64 4.940 -4.034 6.823 1.00 0.00 C ATOM 847 C ASN A 64 4.279 -4.668 8.031 1.00 0.00 C ATOM 848 O ASN A 64 4.186 -5.893 8.125 1.00 0.00 O ATOM 849 CB ASN A 64 6.430 -3.822 7.122 1.00 0.00 C ATOM 850 CG ASN A 64 7.269 -3.560 5.880 1.00 0.00 C ATOM 851 OD1 ASN A 64 8.413 -4.003 5.789 1.00 0.00 O ATOM 852 ND2 ASN A 64 6.723 -2.823 4.929 1.00 0.00 N ATOM 0 H ASN A 64 4.849 -1.949 6.581 1.00 0.00 H new ATOM 0 HA ASN A 64 4.852 -4.695 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.538 -2.982 7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.818 -4.703 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.253 -2.605 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.771 -2.472 5.038 1.00 0.00 H new ATOM 859 N ARG A 65 3.814 -3.829 8.945 1.00 0.00 N ATOM 860 CA ARG A 65 3.178 -4.302 10.160 1.00 0.00 C ATOM 861 C ARG A 65 1.893 -5.067 9.843 1.00 0.00 C ATOM 862 O ARG A 65 1.543 -6.015 10.550 1.00 0.00 O ATOM 863 CB ARG A 65 2.890 -3.134 11.105 1.00 0.00 C ATOM 864 CG ARG A 65 2.468 -3.581 12.494 1.00 0.00 C ATOM 865 CD ARG A 65 2.201 -2.402 13.416 1.00 0.00 C ATOM 866 NE ARG A 65 3.390 -1.575 13.635 1.00 0.00 N ATOM 867 CZ ARG A 65 3.827 -1.202 14.839 1.00 0.00 C ATOM 868 NH1 ARG A 65 3.270 -1.694 15.936 1.00 0.00 N ATOM 869 NH2 ARG A 65 4.846 -0.358 14.945 1.00 0.00 N ATOM 0 H ARG A 65 3.867 -2.814 8.865 1.00 0.00 H new ATOM 0 HA ARG A 65 3.865 -4.987 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.781 -2.511 11.185 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.104 -2.512 10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.570 -4.194 12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.248 -4.209 12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.408 -1.786 12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.838 -2.771 14.375 1.00 0.00 H new ATOM 0 HE ARG A 65 3.916 -1.266 12.817 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.503 -2.362 15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.609 -1.405 16.854 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.296 0.006 14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.179 -0.074 15.866 1.00 0.00 H new ATOM 883 N TYR A 66 1.191 -4.675 8.778 1.00 0.00 N ATOM 884 CA TYR A 66 0.006 -5.415 8.375 1.00 0.00 C ATOM 885 C TYR A 66 0.395 -6.630 7.541 1.00 0.00 C ATOM 886 O TYR A 66 -0.106 -7.731 7.763 1.00 0.00 O ATOM 887 CB TYR A 66 -0.966 -4.532 7.589 1.00 0.00 C ATOM 888 CG TYR A 66 -2.220 -5.271 7.171 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.326 -5.318 8.004 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.284 -5.938 5.956 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.465 -6.008 7.635 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.417 -6.634 5.581 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.504 -6.664 6.424 1.00 0.00 C ATOM 894 OH TYR A 66 -5.633 -7.360 6.057 1.00 0.00 O ATOM 0 H TYR A 66 1.419 -3.869 8.195 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.498 -5.749 9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.242 -3.671 8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.464 -4.146 6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.298 -4.808 8.956 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.433 -5.913 5.292 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.321 -6.033 8.293 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.449 -7.151 4.633 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.422 -6.939 6.459 1.00 0.00 H new ATOM 904 N ILE A 67 1.297 -6.421 6.586 1.00 0.00 N ATOM 905 CA ILE A 67 1.739 -7.485 5.693 1.00 0.00 C ATOM 906 C ILE A 67 2.266 -8.681 6.479 1.00 0.00 C ATOM 907 O ILE A 67 1.948 -9.826 6.160 1.00 0.00 O ATOM 908 CB ILE A 67 2.829 -6.982 4.722 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.251 -5.927 3.772 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.425 -8.140 3.935 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.285 -5.287 2.868 1.00 0.00 C ATOM 0 H ILE A 67 1.738 -5.518 6.411 1.00 0.00 H new ATOM 0 HA ILE A 67 0.871 -7.800 5.114 1.00 0.00 H new ATOM 0 HB ILE A 67 3.626 -6.523 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.480 -6.390 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.765 -5.149 4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.191 -7.763 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.871 -8.857 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.640 -8.631 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.801 -4.552 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.044 -4.794 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.755 -6.054 2.252 1.00 0.00 H new ATOM 923 N ARG A 68 3.041 -8.403 7.521 1.00 0.00 N ATOM 924 CA ARG A 68 3.640 -9.446 8.348 1.00 0.00 C ATOM 925 C ARG A 68 2.579 -10.394 8.912 1.00 0.00 C ATOM 926 O ARG A 68 2.796 -11.602 8.989 1.00 0.00 O ATOM 927 CB ARG A 68 4.431 -8.807 9.493 1.00 0.00 C ATOM 928 CG ARG A 68 5.122 -9.807 10.405 1.00 0.00 C ATOM 929 CD ARG A 68 5.878 -9.104 11.523 1.00 0.00 C ATOM 930 NE ARG A 68 4.991 -8.324 12.389 1.00 0.00 N ATOM 931 CZ ARG A 68 5.379 -7.258 13.092 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.636 -6.833 13.035 1.00 0.00 N ATOM 933 NH2 ARG A 68 4.505 -6.606 13.847 1.00 0.00 N ATOM 0 H ARG A 68 3.271 -7.454 7.816 1.00 0.00 H new ATOM 0 HA ARG A 68 4.311 -10.032 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.181 -8.137 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.755 -8.195 10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.383 -10.484 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.813 -10.416 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.408 -9.845 12.122 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.631 -8.445 11.091 1.00 0.00 H new ATOM 0 HE ARG A 68 4.016 -8.614 12.459 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.314 -7.322 12.450 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.924 -6.017 13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.535 -6.919 13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.803 -5.791 14.384 1.00 0.00 H new ATOM 947 N THR A 69 1.423 -9.847 9.265 1.00 0.00 N ATOM 948 CA THR A 69 0.391 -10.624 9.934 1.00 0.00 C ATOM 949 C THR A 69 -0.764 -10.961 8.985 1.00 0.00 C ATOM 950 O THR A 69 -1.896 -11.196 9.415 1.00 0.00 O ATOM 951 CB THR A 69 -0.132 -9.877 11.192 1.00 0.00 C ATOM 952 OG1 THR A 69 -1.040 -10.701 11.942 1.00 0.00 O ATOM 953 CG2 THR A 69 -0.820 -8.571 10.816 1.00 0.00 C ATOM 0 H THR A 69 1.178 -8.871 9.099 1.00 0.00 H new ATOM 0 HA THR A 69 0.841 -11.564 10.253 1.00 0.00 H new ATOM 0 HB THR A 69 0.735 -9.649 11.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.642 -11.169 11.326 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.174 -8.073 11.719 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.113 -7.923 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.666 -8.781 10.162 1.00 0.00 H new ATOM 961 N SER A 70 -0.479 -11.003 7.693 1.00 0.00 N ATOM 962 CA SER A 70 -1.491 -11.376 6.713 1.00 0.00 C ATOM 963 C SER A 70 -0.865 -12.064 5.507 1.00 0.00 C ATOM 964 O SER A 70 -1.213 -13.199 5.179 1.00 0.00 O ATOM 965 CB SER A 70 -2.287 -10.142 6.272 1.00 0.00 C ATOM 966 OG SER A 70 -2.940 -9.544 7.379 1.00 0.00 O ATOM 0 H SER A 70 0.436 -10.786 7.299 1.00 0.00 H new ATOM 0 HA SER A 70 -2.172 -12.084 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.618 -9.420 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.023 -10.428 5.520 1.00 0.00 H new ATOM 0 HG SER A 70 -3.328 -8.687 7.106 1.00 0.00 H new ATOM 972 N GLY A 71 0.090 -11.379 4.890 1.00 0.00 N ATOM 973 CA GLY A 71 0.710 -11.859 3.659 1.00 0.00 C ATOM 974 C GLY A 71 -0.298 -12.383 2.643 1.00 0.00 C ATOM 975 O GLY A 71 -0.410 -13.590 2.443 1.00 0.00 O ATOM 0 H GLY A 71 0.454 -10.486 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.282 -11.048 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.417 -12.652 3.901 1.00 0.00 H new ATOM 979 N ILE A 72 -1.008 -11.479 1.969 1.00 0.00 N ATOM 980 CA ILE A 72 -2.102 -11.876 1.089 1.00 0.00 C ATOM 981 C ILE A 72 -1.570 -12.366 -0.272 1.00 0.00 C ATOM 982 O ILE A 72 -2.328 -12.678 -1.184 1.00 0.00 O ATOM 983 CB ILE A 72 -3.116 -10.711 0.936 1.00 0.00 C ATOM 984 CG1 ILE A 72 -3.596 -10.266 2.325 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.313 -11.105 0.078 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.309 -11.351 3.107 1.00 0.00 C ATOM 0 H ILE A 72 -0.845 -10.473 2.016 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.629 -12.717 1.540 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.608 -9.889 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.738 -9.921 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.266 -9.414 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.997 -10.260 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.970 -11.390 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.829 -11.947 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.617 -10.958 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.188 -11.681 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.636 -12.195 3.255 1.00 0.00 H new ATOM 998 N ARG A 73 -0.246 -12.476 -0.378 1.00 0.00 N ATOM 999 CA ARG A 73 0.403 -12.954 -1.606 1.00 0.00 C ATOM 1000 C ARG A 73 0.129 -14.436 -1.833 1.00 0.00 C ATOM 1001 O ARG A 73 0.559 -15.012 -2.829 1.00 0.00 O ATOM 1002 CB ARG A 73 1.909 -12.745 -1.526 1.00 0.00 C ATOM 1003 CG ARG A 73 2.597 -13.712 -0.577 1.00 0.00 C ATOM 1004 CD ARG A 73 4.074 -13.391 -0.418 1.00 0.00 C ATOM 1005 NE ARG A 73 4.798 -13.462 -1.691 1.00 0.00 N ATOM 1006 CZ ARG A 73 6.108 -13.690 -1.791 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.826 -13.955 -0.709 1.00 0.00 N ATOM 1008 NH2 ARG A 73 6.696 -13.676 -2.978 1.00 0.00 N ATOM 0 H ARG A 73 0.403 -12.240 0.373 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.010 -12.382 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.338 -12.856 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.111 -11.724 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.110 -13.674 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.484 -14.730 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.183 -12.392 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.521 -14.088 0.291 1.00 0.00 H new ATOM 0 HE ARG A 73 4.268 -13.329 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.377 -13.985 0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.828 -14.129 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.147 -13.491 -3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.698 -13.851 -3.053 1.00 0.00 H new ATOM 1022 N THR A 74 -0.573 -15.048 -0.893 1.00 0.00 N ATOM 1023 CA THR A 74 -0.981 -16.434 -1.020 1.00 0.00 C ATOM 1024 C THR A 74 -2.091 -16.558 -2.064 1.00 0.00 C ATOM 1025 O THR A 74 -2.685 -17.626 -2.239 1.00 0.00 O ATOM 1026 CB THR A 74 -1.468 -16.990 0.341 1.00 0.00 C ATOM 1027 OG1 THR A 74 -1.918 -18.345 0.201 1.00 0.00 O ATOM 1028 CG2 THR A 74 -2.595 -16.132 0.910 1.00 0.00 C ATOM 0 H THR A 74 -0.873 -14.600 -0.027 1.00 0.00 H new ATOM 0 HA THR A 74 -0.119 -17.019 -1.342 1.00 0.00 H new ATOM 0 HB THR A 74 -0.625 -16.963 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.325 -18.465 -0.682 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.919 -16.544 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.238 -15.113 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.434 -16.126 0.215 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.353 -15.467 -2.771 1.00 0.00 N ATOM 1037 CA ASP A 75 -3.419 -15.444 -3.747 1.00 0.00 C ATOM 1038 C ASP A 75 -2.869 -15.617 -5.156 1.00 0.00 C ATOM 1039 O ASP A 75 -2.129 -14.796 -5.692 1.00 0.00 O ATOM 1040 CB ASP A 75 -4.285 -14.184 -3.601 1.00 0.00 C ATOM 1041 CG ASP A 75 -4.208 -13.210 -4.769 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -5.000 -13.367 -5.726 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -3.386 -12.271 -4.722 1.00 0.00 O ATOM 0 H ASP A 75 -1.839 -14.590 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.076 -16.293 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.323 -14.489 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.989 -13.661 -2.692 1.00 0.00 H new TER 1048 ASP A 75