USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 13 GLN : amide:sc= 0.555 K(o=-1.9,f=-12!) USER MOD Set 1.2: A 16 ASN : amide:sc= -2.5 K(o=-1.9,f=-14!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -176:sc= 0.956 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -40:sc= -0.169 USER MOD Single : A 26 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot 117:sc= 2.1 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 49 GLN : amide:sc= -0.386 K(o=-0.39,f=-2.5) USER MOD Single : A 55 THR OG1 : rot 10:sc= 1.33 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 71 SER OG : rot -49:sc= 0.0855 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.733 K(o=-0.73,f=-4.8!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.036 (180deg=-0.459) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.582 (180deg=-1.3) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -1.08 (180deg=-2.21) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.0772 (180deg=-0.0772) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.081 -7.447 -19.278 1.00 10.00 N ATOM 2 CA ALA A 3 0.619 -7.256 -19.292 1.00 10.00 C ATOM 3 C ALA A 3 0.223 -6.859 -17.878 1.00 10.00 C ATOM 4 O ALA A 3 1.127 -6.736 -17.053 1.00 10.00 O ATOM 5 CB ALA A 3 0.202 -6.188 -20.309 1.00 10.00 C ATOM 0 HA ALA A 3 0.112 -8.171 -19.596 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -0.882 -6.073 -20.292 1.00 10.00 H new ATOM 0 HB2 ALA A 3 0.671 -5.238 -20.052 1.00 10.00 H new ATOM 0 HB3 ALA A 3 0.520 -6.492 -21.306 1.00 10.00 H new ATOM 13 N VAL A 4 -1.068 -6.664 -17.612 1.00 10.00 N ATOM 14 CA VAL A 4 -1.583 -6.436 -16.272 1.00 10.00 C ATOM 15 C VAL A 4 -2.151 -7.761 -15.767 1.00 10.00 C ATOM 16 O VAL A 4 -2.612 -8.582 -16.559 1.00 10.00 O ATOM 17 CB VAL A 4 -2.614 -5.291 -16.297 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.846 -5.593 -17.168 1.00 10.00 C ATOM 19 CG2 VAL A 4 -3.042 -4.879 -14.880 1.00 10.00 C ATOM 0 H VAL A 4 -1.790 -6.661 -18.333 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.803 -6.116 -15.581 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.100 -4.450 -16.763 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -4.529 -4.744 -17.139 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.530 -5.770 -18.196 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.353 -6.480 -16.787 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -3.769 -4.069 -14.941 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.491 -5.733 -14.373 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -2.170 -4.542 -14.320 1.00 10.00 H new ATOM 29 N LYS A 5 -2.097 -7.979 -14.456 1.00 10.00 N ATOM 30 CA LYS A 5 -2.717 -9.116 -13.808 1.00 10.00 C ATOM 31 C LYS A 5 -3.267 -8.580 -12.497 1.00 10.00 C ATOM 32 O LYS A 5 -2.563 -8.538 -11.493 1.00 10.00 O ATOM 33 CB LYS A 5 -1.695 -10.243 -13.622 1.00 10.00 C ATOM 34 CG LYS A 5 -2.366 -11.498 -13.049 1.00 10.00 C ATOM 35 CD LYS A 5 -1.308 -12.575 -12.786 1.00 10.00 C ATOM 36 CE LYS A 5 -1.936 -13.785 -12.077 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.921 -14.603 -11.382 1.00 10.00 N ATOM 0 H LYS A 5 -1.612 -7.357 -13.809 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.521 -9.558 -14.397 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.229 -10.479 -14.579 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.900 -9.913 -12.953 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.887 -11.253 -12.124 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.115 -11.873 -13.747 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.860 -12.890 -13.728 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.506 -12.163 -12.174 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.679 -13.439 -11.358 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.462 -14.401 -12.807 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.384 -15.409 -10.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.226 -14.954 -12.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -0.437 -14.022 -10.668 1.00 10.00 H new ATOM 51 N TYR A 6 -4.507 -8.098 -12.546 1.00 10.00 N ATOM 52 CA TYR A 6 -5.166 -7.524 -11.391 1.00 10.00 C ATOM 53 C TYR A 6 -5.178 -8.519 -10.227 1.00 10.00 C ATOM 54 O TYR A 6 -5.129 -9.728 -10.453 1.00 10.00 O ATOM 55 CB TYR A 6 -6.598 -7.136 -11.757 1.00 10.00 C ATOM 56 CG TYR A 6 -6.773 -6.284 -12.996 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.710 -4.887 -12.889 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.081 -6.873 -14.235 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.830 -4.080 -14.032 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.225 -6.067 -15.377 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.056 -4.675 -15.283 1.00 10.00 C ATOM 62 OH TYR A 6 -7.074 -3.910 -16.409 1.00 10.00 O ATOM 0 H TYR A 6 -5.078 -8.098 -13.391 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.616 -6.635 -11.080 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.176 -8.051 -11.888 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.033 -6.602 -10.912 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.568 -4.429 -11.921 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.207 -7.943 -14.309 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.749 -3.006 -13.949 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.466 -6.518 -16.328 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.242 -4.479 -17.189 1.00 10.00 H new ATOM 72 N TYR A 7 -5.269 -8.016 -8.994 1.00 10.00 N ATOM 73 CA TYR A 7 -5.281 -8.847 -7.797 1.00 10.00 C ATOM 74 C TYR A 7 -6.597 -8.607 -7.061 1.00 10.00 C ATOM 75 O TYR A 7 -7.036 -7.465 -6.923 1.00 10.00 O ATOM 76 CB TYR A 7 -4.060 -8.539 -6.923 1.00 10.00 C ATOM 77 CG TYR A 7 -2.751 -8.453 -7.683 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.987 -9.604 -7.959 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.347 -7.211 -8.197 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.821 -9.503 -8.744 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.202 -7.115 -8.995 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.441 -8.259 -9.282 1.00 10.00 C ATOM 83 OH TYR A 7 0.669 -8.149 -10.069 1.00 10.00 O ATOM 0 H TYR A 7 -5.337 -7.017 -8.801 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.216 -9.903 -8.060 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.228 -7.595 -6.405 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.972 -9.311 -6.158 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.295 -10.563 -7.569 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.923 -6.325 -7.975 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.219 -10.380 -8.933 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.902 -6.156 -9.392 1.00 10.00 H new ATOM 0 HH TYR A 7 0.814 -7.208 -10.300 1.00 10.00 H new ATOM 93 N THR A 8 -7.266 -9.684 -6.651 1.00 10.00 N ATOM 94 CA THR A 8 -8.486 -9.619 -5.862 1.00 10.00 C ATOM 95 C THR A 8 -8.114 -9.245 -4.431 1.00 10.00 C ATOM 96 O THR A 8 -7.001 -9.555 -3.998 1.00 10.00 O ATOM 97 CB THR A 8 -9.134 -11.008 -5.874 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.130 -11.946 -5.556 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.710 -11.375 -7.242 1.00 10.00 C ATOM 0 H THR A 8 -6.968 -10.636 -6.863 1.00 10.00 H new ATOM 0 HA THR A 8 -9.177 -8.880 -6.268 1.00 10.00 H new ATOM 0 HB THR A 8 -9.955 -11.009 -5.157 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.514 -12.848 -5.554 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.157 -12.368 -7.194 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.472 -10.648 -7.523 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.913 -11.371 -7.985 1.00 10.00 H new ATOM 107 N LEU A 9 -9.060 -8.672 -3.681 1.00 10.00 N ATOM 108 CA LEU A 9 -8.860 -8.323 -2.280 1.00 10.00 C ATOM 109 C LEU A 9 -8.256 -9.502 -1.523 1.00 10.00 C ATOM 110 O LEU A 9 -7.321 -9.308 -0.765 1.00 10.00 O ATOM 111 CB LEU A 9 -10.182 -7.853 -1.651 1.00 10.00 C ATOM 112 CG LEU A 9 -10.019 -6.588 -0.783 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.307 -5.760 -0.780 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.627 -6.941 0.656 1.00 10.00 C ATOM 0 H LEU A 9 -9.988 -8.438 -4.034 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.155 -7.494 -2.214 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -10.904 -7.653 -2.443 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.593 -8.656 -1.040 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.216 -5.996 -1.222 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.168 -4.873 -0.162 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -11.547 -5.458 -1.799 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.124 -6.359 -0.377 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.521 -6.026 1.239 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.401 -7.567 1.101 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.680 -7.481 0.653 1.00 10.00 H new ATOM 126 N GLU A 10 -8.756 -10.716 -1.778 1.00 10.00 N ATOM 127 CA GLU A 10 -8.240 -11.956 -1.197 1.00 10.00 C ATOM 128 C GLU A 10 -6.730 -12.117 -1.416 1.00 10.00 C ATOM 129 O GLU A 10 -5.960 -12.157 -0.461 1.00 10.00 O ATOM 130 CB GLU A 10 -9.004 -13.163 -1.751 1.00 10.00 C ATOM 131 CG GLU A 10 -8.740 -14.429 -0.916 1.00 10.00 C ATOM 132 CD GLU A 10 -9.313 -14.357 0.495 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.507 -14.007 0.606 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.544 -14.668 1.432 1.00 10.00 O ATOM 0 H GLU A 10 -9.546 -10.865 -2.406 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.399 -11.902 -0.120 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.072 -12.947 -1.758 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.708 -13.339 -2.785 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.168 -15.290 -1.430 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.665 -14.597 -0.855 1.00 10.00 H new ATOM 141 N GLU A 11 -6.297 -12.221 -2.675 1.00 10.00 N ATOM 142 CA GLU A 11 -4.884 -12.330 -3.017 1.00 10.00 C ATOM 143 C GLU A 11 -4.085 -11.235 -2.310 1.00 10.00 C ATOM 144 O GLU A 11 -3.089 -11.513 -1.648 1.00 10.00 O ATOM 145 CB GLU A 11 -4.680 -12.270 -4.542 1.00 10.00 C ATOM 146 CG GLU A 11 -4.214 -13.609 -5.131 1.00 10.00 C ATOM 147 CD GLU A 11 -5.281 -14.696 -5.075 1.00 10.00 C ATOM 148 OE1 GLU A 11 -5.542 -15.185 -3.954 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.791 -15.036 -6.163 1.00 10.00 O ATOM 0 H GLU A 11 -6.919 -12.232 -3.483 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.518 -13.298 -2.675 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.615 -11.974 -5.018 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.945 -11.500 -4.776 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.914 -13.457 -6.168 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.331 -13.948 -4.590 1.00 10.00 H new ATOM 156 N ILE A 12 -4.536 -9.985 -2.415 1.00 10.00 N ATOM 157 CA ILE A 12 -3.872 -8.875 -1.741 1.00 10.00 C ATOM 158 C ILE A 12 -3.802 -9.143 -0.226 1.00 10.00 C ATOM 159 O ILE A 12 -2.742 -8.966 0.367 1.00 10.00 O ATOM 160 CB ILE A 12 -4.545 -7.545 -2.120 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.579 -7.380 -3.654 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.800 -6.341 -1.523 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.483 -6.226 -4.072 1.00 10.00 C ATOM 0 H ILE A 12 -5.356 -9.719 -2.959 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.838 -8.789 -2.077 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.557 -7.574 -1.716 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.569 -7.205 -4.025 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.931 -8.304 -4.113 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.306 -5.420 -1.813 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.789 -6.422 -0.436 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.776 -6.325 -1.896 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.483 -6.139 -5.159 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.498 -6.414 -3.723 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.115 -5.298 -3.634 1.00 10.00 H new ATOM 175 N GLN A 13 -4.890 -9.651 0.366 1.00 10.00 N ATOM 176 CA GLN A 13 -5.031 -10.077 1.758 1.00 10.00 C ATOM 177 C GLN A 13 -4.079 -11.217 2.148 1.00 10.00 C ATOM 178 O GLN A 13 -3.912 -11.492 3.337 1.00 10.00 O ATOM 179 CB GLN A 13 -6.487 -10.473 2.063 1.00 10.00 C ATOM 180 CG GLN A 13 -7.278 -9.360 2.759 1.00 10.00 C ATOM 181 CD GLN A 13 -7.257 -9.542 4.273 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.201 -9.732 4.871 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.429 -9.513 4.902 1.00 10.00 N ATOM 0 H GLN A 13 -5.756 -9.783 -0.156 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.752 -9.216 2.365 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -6.988 -10.739 1.132 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.491 -11.363 2.693 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -6.854 -8.390 2.499 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.308 -9.363 2.403 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.287 -9.353 4.374 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.469 -9.651 5.912 1.00 10.00 H new ATOM 192 N LYS A 14 -3.449 -11.899 1.187 1.00 10.00 N ATOM 193 CA LYS A 14 -2.396 -12.855 1.494 1.00 10.00 C ATOM 194 C LYS A 14 -1.078 -12.122 1.797 1.00 10.00 C ATOM 195 O LYS A 14 -0.209 -12.681 2.465 1.00 10.00 O ATOM 196 CB LYS A 14 -2.242 -13.860 0.342 1.00 10.00 C ATOM 197 CG LYS A 14 -3.521 -14.649 0.015 1.00 10.00 C ATOM 198 CD LYS A 14 -3.776 -15.786 1.013 1.00 10.00 C ATOM 199 CE LYS A 14 -4.881 -16.704 0.466 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.168 -17.831 1.375 1.00 10.00 N ATOM 0 H LYS A 14 -3.654 -11.803 0.192 1.00 10.00 H new ATOM 0 HA LYS A 14 -2.669 -13.416 2.388 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -1.921 -13.324 -0.551 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.449 -14.564 0.593 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.374 -13.970 0.016 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -3.443 -15.062 -0.991 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.861 -16.356 1.174 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.072 -15.378 1.979 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.790 -16.123 0.311 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.581 -17.092 -0.507 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.919 -18.424 0.967 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.308 -18.401 1.503 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.480 -17.463 2.296 1.00 10.00 H new ATOM 214 N HIS A 15 -0.906 -10.884 1.316 1.00 10.00 N ATOM 215 CA HIS A 15 0.341 -10.133 1.408 1.00 10.00 C ATOM 216 C HIS A 15 0.270 -9.071 2.515 1.00 10.00 C ATOM 217 O HIS A 15 0.404 -7.877 2.252 1.00 10.00 O ATOM 218 CB HIS A 15 0.664 -9.500 0.044 1.00 10.00 C ATOM 219 CG HIS A 15 1.175 -10.455 -1.005 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.386 -10.367 -1.654 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.485 -11.496 -1.566 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.427 -11.348 -2.571 1.00 10.00 C ATOM 223 NE2 HIS A 15 1.295 -12.069 -2.550 1.00 10.00 N ATOM 0 H HIS A 15 -1.649 -10.370 0.843 1.00 10.00 H new ATOM 0 HA HIS A 15 1.146 -10.818 1.675 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.236 -9.017 -0.336 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.408 -8.717 0.192 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.510 -11.818 -1.296 1.00 10.00 H new ATOM 0 HE1 HIS A 15 3.258 -11.532 -3.235 1.00 10.00 H new ATOM 0 HE2 HIS A 15 1.071 -12.874 -3.135 1.00 10.00 H new ATOM 231 N ASN A 16 0.103 -9.503 3.767 1.00 10.00 N ATOM 232 CA ASN A 16 -0.132 -8.617 4.916 1.00 10.00 C ATOM 233 C ASN A 16 -0.203 -9.435 6.197 1.00 10.00 C ATOM 234 O ASN A 16 -1.226 -9.476 6.877 1.00 10.00 O ATOM 235 CB ASN A 16 -1.418 -7.798 4.749 1.00 10.00 C ATOM 236 CG ASN A 16 -2.572 -8.679 4.315 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.642 -8.995 3.140 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.456 -9.082 5.219 1.00 10.00 N ATOM 0 H ASN A 16 0.127 -10.491 4.018 1.00 10.00 H new ATOM 0 HA ASN A 16 0.703 -7.919 4.972 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.665 -7.307 5.690 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.259 -7.012 4.011 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.233 -9.681 4.941 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.358 -8.793 6.192 1.00 10.00 H new ATOM 245 N ASN A 17 0.901 -10.100 6.534 1.00 10.00 N ATOM 246 CA ASN A 17 0.952 -10.948 7.722 1.00 10.00 C ATOM 247 C ASN A 17 2.381 -11.436 7.940 1.00 10.00 C ATOM 248 O ASN A 17 2.756 -12.516 7.493 1.00 10.00 O ATOM 249 CB ASN A 17 -0.064 -12.117 7.626 1.00 10.00 C ATOM 250 CG ASN A 17 -1.126 -12.122 8.728 1.00 10.00 C ATOM 251 OD1 ASN A 17 -1.114 -11.316 9.652 1.00 10.00 O ATOM 252 ND2 ASN A 17 -2.051 -13.076 8.663 1.00 10.00 N ATOM 0 H ASN A 17 1.770 -10.068 6.002 1.00 10.00 H new ATOM 0 HA ASN A 17 0.658 -10.362 8.593 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -0.562 -12.071 6.658 1.00 10.00 H new ATOM 0 HB3 ASN A 17 0.481 -13.060 7.659 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.764 -13.145 9.389 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -2.047 -13.739 7.887 1.00 10.00 H new ATOM 259 N SER A 18 3.193 -10.612 8.610 1.00 10.00 N ATOM 260 CA SER A 18 4.574 -10.928 8.964 1.00 10.00 C ATOM 261 C SER A 18 5.364 -11.498 7.772 1.00 10.00 C ATOM 262 O SER A 18 6.103 -12.469 7.908 1.00 10.00 O ATOM 263 CB SER A 18 4.594 -11.859 10.187 1.00 10.00 C ATOM 264 OG SER A 18 5.805 -11.688 10.896 1.00 10.00 O ATOM 0 H SER A 18 2.899 -9.688 8.926 1.00 10.00 H new ATOM 0 HA SER A 18 5.085 -10.003 9.233 1.00 10.00 H new ATOM 0 HB2 SER A 18 3.747 -11.640 10.837 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.491 -12.896 9.868 1.00 10.00 H new ATOM 0 HG SER A 18 5.814 -12.282 11.676 1.00 10.00 H new ATOM 270 N LYS A 19 5.204 -10.886 6.593 1.00 10.00 N ATOM 271 CA LYS A 19 5.874 -11.310 5.371 1.00 10.00 C ATOM 272 C LYS A 19 5.865 -10.153 4.372 1.00 10.00 C ATOM 273 O LYS A 19 6.849 -9.429 4.260 1.00 10.00 O ATOM 274 CB LYS A 19 5.203 -12.574 4.788 1.00 10.00 C ATOM 275 CG LYS A 19 6.047 -13.835 5.000 1.00 10.00 C ATOM 276 CD LYS A 19 5.512 -14.960 4.105 1.00 10.00 C ATOM 277 CE LYS A 19 6.209 -16.288 4.434 1.00 10.00 C ATOM 278 NZ LYS A 19 6.171 -17.232 3.297 1.00 10.00 N ATOM 0 H LYS A 19 4.599 -10.075 6.465 1.00 10.00 H new ATOM 0 HA LYS A 19 6.908 -11.574 5.592 1.00 10.00 H new ATOM 0 HB2 LYS A 19 4.227 -12.711 5.253 1.00 10.00 H new ATOM 0 HB3 LYS A 19 5.030 -12.431 3.721 1.00 10.00 H new ATOM 0 HG2 LYS A 19 7.091 -13.632 4.763 1.00 10.00 H new ATOM 0 HG3 LYS A 19 6.011 -14.139 6.046 1.00 10.00 H new ATOM 0 HD2 LYS A 19 4.436 -15.063 4.245 1.00 10.00 H new ATOM 0 HD3 LYS A 19 5.674 -14.707 3.057 1.00 10.00 H new ATOM 0 HE2 LYS A 19 7.246 -16.094 4.709 1.00 10.00 H new ATOM 0 HE3 LYS A 19 5.729 -16.744 5.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 6.653 -18.115 3.562 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 5.182 -17.438 3.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 6.652 -16.808 2.478 1.00 10.00 H new ATOM 292 N SER A 20 4.751 -9.988 3.655 1.00 10.00 N ATOM 293 CA SER A 20 4.572 -8.941 2.661 1.00 10.00 C ATOM 294 C SER A 20 3.640 -7.864 3.199 1.00 10.00 C ATOM 295 O SER A 20 3.067 -8.014 4.281 1.00 10.00 O ATOM 296 CB SER A 20 4.065 -9.544 1.349 1.00 10.00 C ATOM 297 OG SER A 20 5.053 -10.382 0.788 1.00 10.00 O ATOM 0 H SER A 20 3.936 -10.593 3.755 1.00 10.00 H new ATOM 0 HA SER A 20 5.531 -8.466 2.451 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.153 -10.114 1.530 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.811 -8.749 0.648 1.00 10.00 H new ATOM 0 HG SER A 20 4.720 -10.765 -0.050 1.00 10.00 H new ATOM 303 N THR A 21 3.526 -6.760 2.464 1.00 10.00 N ATOM 304 CA THR A 21 2.675 -5.640 2.799 1.00 10.00 C ATOM 305 C THR A 21 2.205 -4.982 1.506 1.00 10.00 C ATOM 306 O THR A 21 2.853 -4.079 0.971 1.00 10.00 O ATOM 307 CB THR A 21 3.443 -4.695 3.719 1.00 10.00 C ATOM 308 OG1 THR A 21 3.729 -5.385 4.921 1.00 10.00 O ATOM 309 CG2 THR A 21 2.633 -3.435 4.017 1.00 10.00 C ATOM 0 H THR A 21 4.042 -6.624 1.595 1.00 10.00 H new ATOM 0 HA THR A 21 1.783 -5.954 3.342 1.00 10.00 H new ATOM 0 HB THR A 21 4.365 -4.383 3.229 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.954 -5.927 5.180 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.206 -2.781 4.675 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.416 -2.913 3.085 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.698 -3.710 4.504 1.00 10.00 H new ATOM 317 N TRP A 22 1.072 -5.478 1.012 1.00 10.00 N ATOM 318 CA TRP A 22 0.316 -4.920 -0.088 1.00 10.00 C ATOM 319 C TRP A 22 -0.928 -4.258 0.475 1.00 10.00 C ATOM 320 O TRP A 22 -1.258 -4.425 1.647 1.00 10.00 O ATOM 321 CB TRP A 22 -0.106 -6.037 -1.037 1.00 10.00 C ATOM 322 CG TRP A 22 0.974 -6.677 -1.839 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.302 -6.507 -1.675 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.826 -7.532 -3.006 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.980 -7.181 -2.659 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.121 -7.826 -3.523 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.281 -8.053 -3.703 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.306 -8.592 -4.683 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.110 -8.852 -4.845 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.180 -9.104 -5.350 1.00 10.00 C ATOM 0 H TRP A 22 0.642 -6.321 1.392 1.00 10.00 H new ATOM 0 HA TRP A 22 0.925 -4.196 -0.629 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.600 -6.812 -0.452 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.849 -5.636 -1.726 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.762 -5.928 -0.888 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.996 -7.202 -2.741 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.279 -7.834 -3.353 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.300 -8.786 -5.059 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -0.972 -9.275 -5.339 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.304 -9.690 -6.249 1.00 10.00 H new ATOM 341 N LEU A 23 -1.625 -3.510 -0.374 1.00 10.00 N ATOM 342 CA LEU A 23 -2.774 -2.712 -0.013 1.00 10.00 C ATOM 343 C LEU A 23 -3.328 -2.115 -1.298 1.00 10.00 C ATOM 344 O LEU A 23 -2.706 -2.260 -2.351 1.00 10.00 O ATOM 345 CB LEU A 23 -2.417 -1.660 1.048 1.00 10.00 C ATOM 346 CG LEU A 23 -1.086 -0.931 0.794 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.301 0.253 -0.139 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.517 -0.433 2.122 1.00 10.00 C ATOM 0 H LEU A 23 -1.391 -3.446 -1.365 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.545 -3.322 0.457 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.218 -0.923 1.096 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.372 -2.145 2.023 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.387 -1.626 0.329 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.351 0.759 -0.310 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.700 -0.101 -1.090 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.007 0.949 0.314 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.426 0.084 1.943 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.225 0.254 2.586 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.346 -1.281 2.785 1.00 10.00 H new ATOM 360 N ILE A 24 -4.496 -1.477 -1.205 1.00 10.00 N ATOM 361 CA ILE A 24 -5.268 -0.967 -2.323 1.00 10.00 C ATOM 362 C ILE A 24 -5.500 0.502 -2.023 1.00 10.00 C ATOM 363 O ILE A 24 -6.100 0.830 -0.996 1.00 10.00 O ATOM 364 CB ILE A 24 -6.609 -1.706 -2.456 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.367 -3.199 -2.705 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.446 -1.145 -3.616 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.571 -4.039 -2.276 1.00 10.00 C ATOM 0 H ILE A 24 -4.943 -1.297 -0.306 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.740 -1.112 -3.266 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.154 -1.562 -1.523 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.164 -3.365 -3.763 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.482 -3.522 -2.157 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.388 -1.690 -3.682 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.650 -0.089 -3.440 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.895 -1.258 -4.550 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.366 -5.093 -2.466 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.757 -3.892 -1.212 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.450 -3.732 -2.844 1.00 10.00 H new ATOM 379 N LEU A 25 -4.998 1.363 -2.904 1.00 10.00 N ATOM 380 CA LEU A 25 -5.205 2.796 -2.854 1.00 10.00 C ATOM 381 C LEU A 25 -5.991 3.148 -4.113 1.00 10.00 C ATOM 382 O LEU A 25 -5.411 3.269 -5.189 1.00 10.00 O ATOM 383 CB LEU A 25 -3.847 3.517 -2.854 1.00 10.00 C ATOM 384 CG LEU A 25 -3.102 3.747 -1.536 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.643 2.914 -0.397 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.592 3.559 -1.726 1.00 10.00 C ATOM 0 H LEU A 25 -4.421 1.069 -3.692 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.740 3.099 -1.954 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.181 2.954 -3.509 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.998 4.493 -3.315 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.278 4.783 -1.246 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.073 3.122 0.509 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.691 3.162 -0.231 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.555 1.856 -0.646 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.082 3.727 -0.777 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.392 2.544 -2.071 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.227 4.272 -2.465 1.00 10.00 H new ATOM 398 N HIS A 26 -7.310 3.291 -3.987 1.00 10.00 N ATOM 399 CA HIS A 26 -8.187 3.718 -5.076 1.00 10.00 C ATOM 400 C HIS A 26 -8.162 2.703 -6.222 1.00 10.00 C ATOM 401 O HIS A 26 -7.908 3.059 -7.371 1.00 10.00 O ATOM 402 CB HIS A 26 -7.844 5.134 -5.578 1.00 10.00 C ATOM 403 CG HIS A 26 -7.661 6.171 -4.502 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.637 6.973 -3.952 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.478 6.481 -3.890 1.00 10.00 C ATOM 406 CE1 HIS A 26 -8.045 7.741 -3.019 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.729 7.475 -2.943 1.00 10.00 N ATOM 0 H HIS A 26 -7.806 3.111 -3.114 1.00 10.00 H new ATOM 0 HA HIS A 26 -9.201 3.762 -4.678 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.929 5.081 -6.168 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.637 5.466 -6.249 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.518 6.035 -4.102 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.558 8.473 -2.413 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -6.051 7.912 -2.319 1.00 10.00 H new ATOM 415 N TYR A 27 -8.428 1.435 -5.901 1.00 10.00 N ATOM 416 CA TYR A 27 -8.502 0.339 -6.862 1.00 10.00 C ATOM 417 C TYR A 27 -7.146 0.022 -7.503 1.00 10.00 C ATOM 418 O TYR A 27 -7.105 -0.601 -8.563 1.00 10.00 O ATOM 419 CB TYR A 27 -9.578 0.617 -7.927 1.00 10.00 C ATOM 420 CG TYR A 27 -10.893 1.136 -7.378 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.583 0.394 -6.405 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.406 2.378 -7.798 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.808 0.850 -5.898 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.615 2.854 -7.263 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.322 2.086 -6.322 1.00 10.00 C ATOM 426 OH TYR A 27 -14.491 2.556 -5.805 1.00 10.00 O ATOM 0 H TYR A 27 -8.602 1.137 -4.941 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.793 -0.553 -6.306 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.186 1.342 -8.640 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.768 -0.303 -8.480 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.167 -0.535 -6.045 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.871 2.964 -8.530 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.355 0.252 -5.184 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.002 3.813 -7.576 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.701 3.425 -6.207 1.00 10.00 H new ATOM 436 N LYS A 28 -6.040 0.422 -6.864 1.00 10.00 N ATOM 437 CA LYS A 28 -4.693 0.198 -7.367 1.00 10.00 C ATOM 438 C LYS A 28 -3.823 -0.425 -6.286 1.00 10.00 C ATOM 439 O LYS A 28 -3.824 0.065 -5.157 1.00 10.00 O ATOM 440 CB LYS A 28 -4.084 1.500 -7.865 1.00 10.00 C ATOM 441 CG LYS A 28 -4.933 2.111 -8.975 1.00 10.00 C ATOM 442 CD LYS A 28 -4.081 3.136 -9.717 1.00 10.00 C ATOM 443 CE LYS A 28 -4.966 4.202 -10.366 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.181 5.408 -10.676 1.00 10.00 N ATOM 0 H LYS A 28 -6.063 0.916 -5.972 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.747 -0.494 -8.207 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.998 2.205 -7.038 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.075 1.316 -8.234 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.278 1.336 -9.660 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.821 2.586 -8.557 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.383 3.607 -9.024 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.484 2.637 -10.480 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.411 3.806 -11.279 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.787 4.458 -9.696 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.798 6.120 -11.116 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.777 5.794 -9.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.413 5.163 -11.333 1.00 10.00 H new ATOM 458 N VAL A 29 -3.115 -1.505 -6.630 1.00 10.00 N ATOM 459 CA VAL A 29 -2.315 -2.277 -5.700 1.00 10.00 C ATOM 460 C VAL A 29 -0.859 -1.814 -5.750 1.00 10.00 C ATOM 461 O VAL A 29 -0.290 -1.626 -6.830 1.00 10.00 O ATOM 462 CB VAL A 29 -2.442 -3.777 -6.000 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.983 -4.605 -4.794 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.884 -4.162 -6.316 1.00 10.00 C ATOM 0 H VAL A 29 -3.087 -1.867 -7.583 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.685 -2.112 -4.688 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.813 -3.983 -6.866 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.079 -5.666 -5.023 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.941 -4.375 -4.570 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.602 -4.363 -3.930 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.938 -5.231 -6.524 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.519 -3.926 -5.462 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.226 -3.605 -7.188 1.00 10.00 H new ATOM 474 N TYR A 30 -0.266 -1.643 -4.567 1.00 10.00 N ATOM 475 CA TYR A 30 1.089 -1.150 -4.381 1.00 10.00 C ATOM 476 C TYR A 30 1.847 -2.137 -3.500 1.00 10.00 C ATOM 477 O TYR A 30 1.405 -2.385 -2.378 1.00 10.00 O ATOM 478 CB TYR A 30 1.006 0.233 -3.721 1.00 10.00 C ATOM 479 CG TYR A 30 0.411 1.285 -4.636 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.226 1.908 -5.594 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.973 1.534 -4.633 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.663 2.792 -6.530 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.527 2.433 -5.562 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.713 3.053 -6.518 1.00 10.00 C ATOM 485 OH TYR A 30 -1.252 3.875 -7.463 1.00 10.00 O ATOM 0 H TYR A 30 -0.736 -1.852 -3.686 1.00 10.00 H new ATOM 0 HA TYR A 30 1.617 -1.058 -5.330 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.404 0.163 -2.815 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.005 0.546 -3.416 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.287 1.708 -5.612 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.610 1.035 -3.918 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.295 3.273 -7.262 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.585 2.646 -5.538 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.728 3.812 -8.289 1.00 10.00 H new ATOM 495 N ASP A 31 2.970 -2.691 -3.980 1.00 10.00 N ATOM 496 CA ASP A 31 3.865 -3.430 -3.094 1.00 10.00 C ATOM 497 C ASP A 31 4.749 -2.414 -2.396 1.00 10.00 C ATOM 498 O ASP A 31 5.427 -1.636 -3.062 1.00 10.00 O ATOM 499 CB ASP A 31 4.756 -4.450 -3.812 1.00 10.00 C ATOM 500 CG ASP A 31 5.709 -5.078 -2.790 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.287 -6.056 -2.135 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.808 -4.527 -2.574 1.00 10.00 O ATOM 0 H ASP A 31 3.271 -2.641 -4.953 1.00 10.00 H new ATOM 0 HA ASP A 31 3.246 -4.003 -2.404 1.00 10.00 H new ATOM 0 HB2 ASP A 31 4.145 -5.221 -4.282 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.322 -3.964 -4.607 1.00 10.00 H new ATOM 507 N LEU A 32 4.724 -2.404 -1.064 1.00 10.00 N ATOM 508 CA LEU A 32 5.631 -1.592 -0.276 1.00 10.00 C ATOM 509 C LEU A 32 6.303 -2.493 0.760 1.00 10.00 C ATOM 510 O LEU A 32 6.801 -2.016 1.778 1.00 10.00 O ATOM 511 CB LEU A 32 4.867 -0.430 0.371 1.00 10.00 C ATOM 512 CG LEU A 32 3.907 0.316 -0.582 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.659 0.743 0.190 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.652 1.487 -1.231 1.00 10.00 C ATOM 0 H LEU A 32 4.074 -2.959 -0.508 1.00 10.00 H new ATOM 0 HA LEU A 32 6.404 -1.149 -0.904 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.295 -0.814 1.215 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.587 0.283 0.772 1.00 10.00 H new ATOM 0 HG LEU A 32 3.570 -0.333 -1.390 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.979 1.270 -0.480 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.161 -0.139 0.593 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.946 1.403 1.009 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.979 2.017 -1.905 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.002 2.169 -0.457 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.505 1.108 -1.794 1.00 10.00 H new ATOM 526 N THR A 33 6.340 -3.804 0.492 1.00 10.00 N ATOM 527 CA THR A 33 6.960 -4.793 1.356 1.00 10.00 C ATOM 528 C THR A 33 8.406 -4.408 1.640 1.00 10.00 C ATOM 529 O THR A 33 8.874 -4.506 2.771 1.00 10.00 O ATOM 530 CB THR A 33 6.875 -6.166 0.683 1.00 10.00 C ATOM 531 OG1 THR A 33 5.517 -6.506 0.469 1.00 10.00 O ATOM 532 CG2 THR A 33 7.577 -7.231 1.531 1.00 10.00 C ATOM 0 H THR A 33 5.929 -4.206 -0.351 1.00 10.00 H new ATOM 0 HA THR A 33 6.435 -4.835 2.310 1.00 10.00 H new ATOM 0 HB THR A 33 7.384 -6.122 -0.280 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.346 -6.582 -0.493 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.504 -8.198 1.034 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.627 -6.964 1.654 1.00 10.00 H new ATOM 0 HG23 THR A 33 7.100 -7.289 2.510 1.00 10.00 H new ATOM 540 N LYS A 34 9.110 -3.942 0.608 1.00 10.00 N ATOM 541 CA LYS A 34 10.490 -3.504 0.725 1.00 10.00 C ATOM 542 C LYS A 34 10.530 -1.986 0.870 1.00 10.00 C ATOM 543 O LYS A 34 11.472 -1.339 0.422 1.00 10.00 O ATOM 544 CB LYS A 34 11.291 -4.061 -0.466 1.00 10.00 C ATOM 545 CG LYS A 34 12.498 -4.869 0.028 1.00 10.00 C ATOM 546 CD LYS A 34 13.019 -5.769 -1.099 1.00 10.00 C ATOM 547 CE LYS A 34 14.141 -6.704 -0.626 1.00 10.00 C ATOM 548 NZ LYS A 34 13.651 -7.761 0.286 1.00 10.00 N ATOM 0 H LYS A 34 8.731 -3.860 -0.336 1.00 10.00 H new ATOM 0 HA LYS A 34 10.967 -3.896 1.623 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.649 -4.693 -1.079 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.630 -3.241 -1.099 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.287 -4.194 0.361 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.214 -5.476 0.888 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.196 -6.364 -1.496 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.387 -5.148 -1.916 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.613 -7.167 -1.493 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.908 -6.118 -0.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.428 -8.415 0.509 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.301 -7.327 1.164 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.879 -8.285 -0.173 1.00 10.00 H new ATOM 562 N PHE A 35 9.501 -1.425 1.514 1.00 10.00 N ATOM 563 CA PHE A 35 9.424 -0.013 1.816 1.00 10.00 C ATOM 564 C PHE A 35 8.832 0.239 3.198 1.00 10.00 C ATOM 565 O PHE A 35 8.437 1.356 3.490 1.00 10.00 O ATOM 566 CB PHE A 35 8.616 0.707 0.733 1.00 10.00 C ATOM 567 CG PHE A 35 9.132 2.096 0.382 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.492 2.286 0.063 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.257 3.200 0.369 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.971 3.563 -0.271 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.741 4.482 0.050 1.00 10.00 C ATOM 572 CZ PHE A 35 10.096 4.662 -0.279 1.00 10.00 C ATOM 0 H PHE A 35 8.693 -1.956 1.840 1.00 10.00 H new ATOM 0 HA PHE A 35 10.438 0.388 1.827 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.614 0.095 -0.169 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.581 0.790 1.064 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.169 1.445 0.076 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.212 3.062 0.604 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.012 3.700 -0.522 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.071 5.329 0.058 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.464 5.644 -0.538 1.00 10.00 H new ATOM 582 N LEU A 36 8.747 -0.774 4.058 1.00 10.00 N ATOM 583 CA LEU A 36 8.067 -0.638 5.339 1.00 10.00 C ATOM 584 C LEU A 36 8.786 0.371 6.235 1.00 10.00 C ATOM 585 O LEU A 36 8.263 1.446 6.518 1.00 10.00 O ATOM 586 CB LEU A 36 7.974 -2.015 6.003 1.00 10.00 C ATOM 587 CG LEU A 36 7.018 -2.940 5.238 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.203 -4.378 5.740 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.578 -2.424 5.376 1.00 10.00 C ATOM 0 H LEU A 36 9.142 -1.699 3.888 1.00 10.00 H new ATOM 0 HA LEU A 36 7.059 -0.256 5.178 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.965 -2.468 6.046 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.630 -1.903 7.031 1.00 10.00 H new ATOM 0 HG LEU A 36 7.244 -2.942 4.172 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.527 -5.041 5.201 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.233 -4.693 5.570 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.981 -4.422 6.806 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.902 -3.083 4.832 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.297 -2.406 6.429 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.512 -1.417 4.965 1.00 10.00 H new ATOM 601 N GLU A 37 9.995 0.013 6.672 1.00 10.00 N ATOM 602 CA GLU A 37 10.856 0.869 7.477 1.00 10.00 C ATOM 603 C GLU A 37 11.280 2.099 6.670 1.00 10.00 C ATOM 604 O GLU A 37 11.448 3.183 7.223 1.00 10.00 O ATOM 605 CB GLU A 37 12.077 0.063 7.959 1.00 10.00 C ATOM 606 CG GLU A 37 12.012 -0.226 9.464 1.00 10.00 C ATOM 607 CD GLU A 37 13.160 -1.131 9.900 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.313 -0.776 9.575 1.00 10.00 O ATOM 609 OE2 GLU A 37 12.866 -2.172 10.524 1.00 10.00 O ATOM 0 H GLU A 37 10.407 -0.898 6.470 1.00 10.00 H new ATOM 0 HA GLU A 37 10.310 1.220 8.352 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.131 -0.877 7.411 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.989 0.616 7.734 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.053 0.711 10.019 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.060 -0.699 9.706 1.00 10.00 H new ATOM 616 N GLU A 38 11.460 1.922 5.358 1.00 10.00 N ATOM 617 CA GLU A 38 11.936 2.969 4.476 1.00 10.00 C ATOM 618 C GLU A 38 10.899 4.091 4.406 1.00 10.00 C ATOM 619 O GLU A 38 11.260 5.260 4.498 1.00 10.00 O ATOM 620 CB GLU A 38 12.187 2.398 3.077 1.00 10.00 C ATOM 621 CG GLU A 38 13.109 1.162 3.034 1.00 10.00 C ATOM 622 CD GLU A 38 14.540 1.513 2.642 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.693 2.148 1.576 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.452 1.120 3.399 1.00 10.00 O ATOM 0 H GLU A 38 11.276 1.038 4.883 1.00 10.00 H new ATOM 0 HA GLU A 38 12.872 3.370 4.865 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.228 2.133 2.632 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.623 3.180 2.455 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.112 0.681 4.012 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.708 0.439 2.324 1.00 10.00 H new ATOM 631 N HIS A 39 9.622 3.729 4.218 1.00 10.00 N ATOM 632 CA HIS A 39 8.511 4.663 4.075 1.00 10.00 C ATOM 633 C HIS A 39 8.478 5.611 5.277 1.00 10.00 C ATOM 634 O HIS A 39 8.079 5.196 6.371 1.00 10.00 O ATOM 635 CB HIS A 39 7.184 3.904 3.935 1.00 10.00 C ATOM 636 CG HIS A 39 5.956 4.769 4.058 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.234 4.911 5.211 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.365 5.549 3.097 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.234 5.766 4.956 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.250 6.175 3.675 1.00 10.00 N ATOM 0 H HIS A 39 9.333 2.753 4.161 1.00 10.00 H new ATOM 0 HA HIS A 39 8.653 5.253 3.169 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.166 3.404 2.967 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.143 3.125 4.697 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.422 4.451 6.102 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.699 5.662 2.076 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.507 6.086 5.687 1.00 10.00 H new ATOM 648 N PRO A 40 8.857 6.886 5.095 1.00 10.00 N ATOM 649 CA PRO A 40 8.941 7.837 6.184 1.00 10.00 C ATOM 650 C PRO A 40 7.531 8.281 6.581 1.00 10.00 C ATOM 651 O PRO A 40 7.087 9.376 6.254 1.00 10.00 O ATOM 652 CB PRO A 40 9.841 8.968 5.674 1.00 10.00 C ATOM 653 CG PRO A 40 9.782 8.880 4.147 1.00 10.00 C ATOM 654 CD PRO A 40 9.238 7.491 3.827 1.00 10.00 C ATOM 0 HA PRO A 40 9.374 7.427 7.096 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.489 9.938 6.025 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.863 8.850 6.035 1.00 10.00 H new ATOM 0 HG2 PRO A 40 9.136 9.656 3.736 1.00 10.00 H new ATOM 0 HG3 PRO A 40 10.770 9.023 3.709 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.381 7.557 3.157 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.992 6.887 3.322 1.00 10.00 H new ATOM 662 N GLY A 41 6.812 7.411 7.288 1.00 10.00 N ATOM 663 CA GLY A 41 5.473 7.700 7.773 1.00 10.00 C ATOM 664 C GLY A 41 5.149 6.857 8.995 1.00 10.00 C ATOM 665 O GLY A 41 4.733 7.377 10.026 1.00 10.00 O ATOM 0 H GLY A 41 7.148 6.481 7.539 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.392 8.758 8.023 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.745 7.502 6.986 1.00 10.00 H new ATOM 669 N GLY A 42 5.350 5.545 8.879 1.00 10.00 N ATOM 670 CA GLY A 42 5.114 4.617 9.966 1.00 10.00 C ATOM 671 C GLY A 42 4.970 3.214 9.397 1.00 10.00 C ATOM 672 O GLY A 42 3.959 2.894 8.774 1.00 10.00 O ATOM 0 H GLY A 42 5.682 5.102 8.023 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.940 4.652 10.677 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.212 4.897 10.511 1.00 10.00 H new ATOM 676 N GLU A 43 5.976 2.368 9.608 1.00 10.00 N ATOM 677 CA GLU A 43 5.906 0.973 9.214 1.00 10.00 C ATOM 678 C GLU A 43 4.701 0.287 9.863 1.00 10.00 C ATOM 679 O GLU A 43 4.015 -0.494 9.210 1.00 10.00 O ATOM 680 CB GLU A 43 7.224 0.276 9.550 1.00 10.00 C ATOM 681 CG GLU A 43 7.660 0.439 11.019 1.00 10.00 C ATOM 682 CD GLU A 43 7.862 -0.895 11.730 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.125 -1.848 11.389 1.00 10.00 O ATOM 684 OE2 GLU A 43 8.726 -0.921 12.629 1.00 10.00 O ATOM 0 H GLU A 43 6.854 2.633 10.054 1.00 10.00 H new ATOM 0 HA GLU A 43 5.761 0.906 8.136 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.129 -0.786 9.325 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.007 0.670 8.903 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.588 1.009 11.056 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.908 1.020 11.554 1.00 10.00 H new ATOM 691 N ALA A 44 4.408 0.621 11.125 1.00 10.00 N ATOM 692 CA ALA A 44 3.293 0.049 11.858 1.00 10.00 C ATOM 693 C ALA A 44 1.995 0.335 11.113 1.00 10.00 C ATOM 694 O ALA A 44 1.254 -0.591 10.796 1.00 10.00 O ATOM 695 CB ALA A 44 3.249 0.593 13.289 1.00 10.00 C ATOM 0 H ALA A 44 4.946 1.301 11.662 1.00 10.00 H new ATOM 0 HA ALA A 44 3.423 -1.031 11.927 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.406 0.151 13.820 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.176 0.339 13.804 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.134 1.677 13.263 1.00 10.00 H new ATOM 701 N VAL A 45 1.726 1.608 10.800 1.00 10.00 N ATOM 702 CA VAL A 45 0.535 1.941 10.038 1.00 10.00 C ATOM 703 C VAL A 45 0.597 1.300 8.648 1.00 10.00 C ATOM 704 O VAL A 45 -0.399 0.678 8.275 1.00 10.00 O ATOM 705 CB VAL A 45 0.180 3.440 10.075 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.189 4.324 9.347 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.243 3.697 9.545 1.00 10.00 C ATOM 0 H VAL A 45 2.308 2.404 11.060 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.329 1.495 10.530 1.00 10.00 H new ATOM 0 HB VAL A 45 0.220 3.722 11.127 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.875 5.366 9.414 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.171 4.210 9.807 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.243 4.028 8.299 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.459 4.765 9.586 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.315 3.351 8.514 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.963 3.157 10.160 1.00 10.00 H new ATOM 717 N LEU A 46 1.719 1.347 7.894 1.00 10.00 N ATOM 718 CA LEU A 46 1.697 0.614 6.627 1.00 10.00 C ATOM 719 C LEU A 46 1.354 -0.873 6.805 1.00 10.00 C ATOM 720 O LEU A 46 0.613 -1.433 6.000 1.00 10.00 O ATOM 721 CB LEU A 46 3.029 0.817 5.896 1.00 10.00 C ATOM 722 CG LEU A 46 3.000 2.047 4.977 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.193 1.767 3.708 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.422 3.296 5.650 1.00 10.00 C ATOM 0 H LEU A 46 2.581 1.843 8.121 1.00 10.00 H new ATOM 0 HA LEU A 46 0.893 1.021 6.013 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.830 0.929 6.627 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.258 -0.071 5.306 1.00 10.00 H new ATOM 0 HG LEU A 46 4.043 2.246 4.732 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.189 2.655 3.076 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.645 0.937 3.165 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.169 1.509 3.978 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.431 4.127 4.944 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.397 3.099 5.964 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.026 3.553 6.521 1.00 10.00 H new ATOM 736 N ARG A 47 1.855 -1.510 7.863 1.00 10.00 N ATOM 737 CA ARG A 47 1.671 -2.931 8.112 1.00 10.00 C ATOM 738 C ARG A 47 0.244 -3.230 8.563 1.00 10.00 C ATOM 739 O ARG A 47 -0.320 -4.257 8.202 1.00 10.00 O ATOM 740 CB ARG A 47 2.707 -3.385 9.148 1.00 10.00 C ATOM 741 CG ARG A 47 2.836 -4.910 9.259 1.00 10.00 C ATOM 742 CD ARG A 47 3.312 -5.521 7.931 1.00 10.00 C ATOM 743 NE ARG A 47 4.352 -6.546 8.113 1.00 10.00 N ATOM 744 CZ ARG A 47 5.631 -6.272 8.427 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.989 -5.014 8.702 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.541 -7.253 8.471 1.00 10.00 N ATOM 0 H ARG A 47 2.409 -1.041 8.580 1.00 10.00 H new ATOM 0 HA ARG A 47 1.825 -3.491 7.189 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.678 -2.964 8.887 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.436 -2.980 10.123 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.540 -5.162 10.052 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.874 -5.341 9.537 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.460 -5.963 7.414 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.698 -4.729 7.290 1.00 10.00 H new ATOM 0 HE ARG A 47 4.087 -7.524 7.994 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.294 -4.268 8.673 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.957 -4.800 8.941 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.266 -8.214 8.266 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.510 -7.040 8.710 1.00 10.00 H new ATOM 760 N ALA A 48 -0.332 -2.337 9.364 1.00 10.00 N ATOM 761 CA ALA A 48 -1.675 -2.470 9.896 1.00 10.00 C ATOM 762 C ALA A 48 -2.710 -2.283 8.790 1.00 10.00 C ATOM 763 O ALA A 48 -3.660 -3.054 8.692 1.00 10.00 O ATOM 764 CB ALA A 48 -1.859 -1.436 11.005 1.00 10.00 C ATOM 0 H ALA A 48 0.138 -1.483 9.665 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.818 -3.470 10.306 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.864 -1.520 11.418 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.127 -1.613 11.793 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.717 -0.435 10.597 1.00 10.00 H new ATOM 770 N GLN A 49 -2.530 -1.250 7.961 1.00 10.00 N ATOM 771 CA GLN A 49 -3.412 -0.986 6.833 1.00 10.00 C ATOM 772 C GLN A 49 -3.171 -1.957 5.669 1.00 10.00 C ATOM 773 O GLN A 49 -3.984 -2.041 4.747 1.00 10.00 O ATOM 774 CB GLN A 49 -3.236 0.473 6.391 1.00 10.00 C ATOM 775 CG GLN A 49 -4.276 1.402 7.033 1.00 10.00 C ATOM 776 CD GLN A 49 -5.692 1.118 6.535 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.905 0.242 5.707 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.676 1.871 7.013 1.00 10.00 N ATOM 0 H GLN A 49 -1.769 -0.578 8.057 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.442 -1.147 7.152 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.235 0.813 6.656 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.317 0.535 5.306 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.244 1.286 8.116 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.018 2.438 6.816 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.475 2.595 7.703 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.633 1.725 6.691 1.00 10.00 H new ATOM 787 N ALA A 50 -2.046 -2.676 5.687 1.00 10.00 N ATOM 788 CA ALA A 50 -1.779 -3.717 4.711 1.00 10.00 C ATOM 789 C ALA A 50 -2.959 -4.688 4.613 1.00 10.00 C ATOM 790 O ALA A 50 -3.534 -5.071 5.630 1.00 10.00 O ATOM 791 CB ALA A 50 -0.515 -4.486 5.086 1.00 10.00 C ATOM 0 H ALA A 50 -1.304 -2.549 6.376 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.636 -3.239 3.742 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.328 -5.263 4.345 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.332 -3.801 5.115 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.645 -4.944 6.067 1.00 10.00 H new ATOM 797 N GLY A 51 -3.303 -5.105 3.396 1.00 10.00 N ATOM 798 CA GLY A 51 -4.383 -6.042 3.134 1.00 10.00 C ATOM 799 C GLY A 51 -5.239 -5.567 1.976 1.00 10.00 C ATOM 800 O GLY A 51 -5.572 -6.358 1.098 1.00 10.00 O ATOM 0 H GLY A 51 -2.826 -4.792 2.550 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.971 -7.025 2.908 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.999 -6.152 4.026 1.00 10.00 H new ATOM 804 N GLY A 52 -5.570 -4.273 1.960 1.00 10.00 N ATOM 805 CA GLY A 52 -6.361 -3.698 0.886 1.00 10.00 C ATOM 806 C GLY A 52 -7.545 -2.893 1.393 1.00 10.00 C ATOM 807 O GLY A 52 -8.674 -3.168 0.999 1.00 10.00 O ATOM 0 H GLY A 52 -5.298 -3.608 2.684 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.725 -3.056 0.276 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.721 -4.497 0.238 1.00 10.00 H new ATOM 811 N ASP A 53 -7.289 -1.875 2.222 1.00 10.00 N ATOM 812 CA ASP A 53 -8.343 -0.970 2.666 1.00 10.00 C ATOM 813 C ASP A 53 -7.751 0.358 3.141 1.00 10.00 C ATOM 814 O ASP A 53 -8.247 0.981 4.077 1.00 10.00 O ATOM 815 CB ASP A 53 -9.174 -1.647 3.767 1.00 10.00 C ATOM 816 CG ASP A 53 -10.524 -0.963 3.944 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.223 -0.820 2.917 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.846 -0.612 5.099 1.00 10.00 O ATOM 0 H ASP A 53 -6.364 -1.662 2.595 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.003 -0.746 1.828 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.326 -2.697 3.516 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.625 -1.620 4.708 1.00 10.00 H new ATOM 823 N ALA A 54 -6.676 0.819 2.487 1.00 10.00 N ATOM 824 CA ALA A 54 -5.930 1.964 2.983 1.00 10.00 C ATOM 825 C ALA A 54 -6.191 3.171 2.106 1.00 10.00 C ATOM 826 O ALA A 54 -5.455 4.145 2.187 1.00 10.00 O ATOM 827 CB ALA A 54 -4.440 1.636 3.030 1.00 10.00 C ATOM 0 H ALA A 54 -6.313 0.416 1.623 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.261 2.198 3.995 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.889 2.499 3.403 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.275 0.787 3.693 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.090 1.387 2.028 1.00 10.00 H new ATOM 833 N THR A 55 -7.221 3.112 1.260 1.00 10.00 N ATOM 834 CA THR A 55 -7.526 4.190 0.345 1.00 10.00 C ATOM 835 C THR A 55 -7.844 5.448 1.155 1.00 10.00 C ATOM 836 O THR A 55 -7.152 6.457 1.032 1.00 10.00 O ATOM 837 CB THR A 55 -8.658 3.755 -0.600 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.293 2.605 -1.345 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.893 4.848 -1.630 1.00 10.00 C ATOM 0 H THR A 55 -7.857 2.317 1.197 1.00 10.00 H new ATOM 0 HA THR A 55 -6.674 4.429 -0.291 1.00 10.00 H new ATOM 0 HB THR A 55 -9.535 3.555 0.015 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.461 2.233 -0.985 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.695 4.546 -2.304 1.00 10.00 H new ATOM 0 HG22 THR A 55 -9.173 5.771 -1.123 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.980 5.011 -2.202 1.00 10.00 H new ATOM 847 N ALA A 56 -8.854 5.354 2.025 1.00 10.00 N ATOM 848 CA ALA A 56 -9.288 6.456 2.872 1.00 10.00 C ATOM 849 C ALA A 56 -8.148 6.907 3.784 1.00 10.00 C ATOM 850 O ALA A 56 -7.913 8.092 3.970 1.00 10.00 O ATOM 851 CB ALA A 56 -10.518 6.031 3.680 1.00 10.00 C ATOM 0 H ALA A 56 -9.395 4.500 2.158 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.565 7.306 2.248 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.841 6.857 4.313 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.324 5.759 2.999 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.265 5.174 4.304 1.00 10.00 H new ATOM 857 N ASN A 57 -7.412 5.955 4.355 1.00 10.00 N ATOM 858 CA ASN A 57 -6.301 6.259 5.243 1.00 10.00 C ATOM 859 C ASN A 57 -5.237 7.071 4.499 1.00 10.00 C ATOM 860 O ASN A 57 -4.862 8.157 4.923 1.00 10.00 O ATOM 861 CB ASN A 57 -5.739 4.951 5.811 1.00 10.00 C ATOM 862 CG ASN A 57 -5.154 5.150 7.203 1.00 10.00 C ATOM 863 OD1 ASN A 57 -3.959 5.364 7.364 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.996 5.044 8.229 1.00 10.00 N ATOM 0 H ASN A 57 -7.571 4.957 4.214 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.643 6.871 6.078 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.530 4.202 5.852 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.968 4.565 5.144 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.651 5.141 9.184 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -6.986 4.865 8.060 1.00 10.00 H new ATOM 871 N PHE A 58 -4.773 6.548 3.364 1.00 10.00 N ATOM 872 CA PHE A 58 -3.781 7.175 2.501 1.00 10.00 C ATOM 873 C PHE A 58 -4.198 8.589 2.097 1.00 10.00 C ATOM 874 O PHE A 58 -3.423 9.538 2.257 1.00 10.00 O ATOM 875 CB PHE A 58 -3.592 6.306 1.252 1.00 10.00 C ATOM 876 CG PHE A 58 -2.667 6.891 0.205 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.280 6.819 0.394 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.183 7.450 -0.979 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.402 7.273 -0.603 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.305 7.903 -1.980 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.914 7.816 -1.792 1.00 10.00 C ATOM 0 H PHE A 58 -5.091 5.645 3.011 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.843 7.256 3.050 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.203 5.335 1.558 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.567 6.131 0.798 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.884 6.412 1.313 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.251 7.531 -1.119 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.666 7.205 -0.455 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.700 8.319 -2.895 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.241 8.166 -2.561 1.00 10.00 H new ATOM 891 N GLU A 59 -5.404 8.720 1.534 1.00 10.00 N ATOM 892 CA GLU A 59 -5.875 10.002 1.042 1.00 10.00 C ATOM 893 C GLU A 59 -6.051 10.985 2.206 1.00 10.00 C ATOM 894 O GLU A 59 -5.604 12.125 2.114 1.00 10.00 O ATOM 895 CB GLU A 59 -7.095 9.821 0.125 1.00 10.00 C ATOM 896 CG GLU A 59 -8.373 9.366 0.838 1.00 10.00 C ATOM 897 CD GLU A 59 -9.212 10.505 1.403 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.333 11.527 0.695 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.738 10.319 2.520 1.00 10.00 O ATOM 0 H GLU A 59 -6.064 7.952 1.412 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.126 10.464 0.399 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.295 10.765 -0.381 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.847 9.092 -0.647 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.982 8.794 0.138 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.102 8.692 1.650 1.00 10.00 H new ATOM 906 N ALA A 60 -6.622 10.519 3.323 1.00 10.00 N ATOM 907 CA ALA A 60 -6.785 11.306 4.537 1.00 10.00 C ATOM 908 C ALA A 60 -5.439 11.811 5.056 1.00 10.00 C ATOM 909 O ALA A 60 -5.312 12.982 5.406 1.00 10.00 O ATOM 910 CB ALA A 60 -7.502 10.475 5.606 1.00 10.00 C ATOM 0 H ALA A 60 -6.987 9.570 3.403 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.394 12.179 4.301 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.620 11.071 6.511 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.483 10.177 5.237 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.913 9.586 5.831 1.00 10.00 H new ATOM 916 N VAL A 61 -4.436 10.929 5.121 1.00 10.00 N ATOM 917 CA VAL A 61 -3.078 11.301 5.495 1.00 10.00 C ATOM 918 C VAL A 61 -2.568 12.389 4.545 1.00 10.00 C ATOM 919 O VAL A 61 -2.052 13.412 4.992 1.00 10.00 O ATOM 920 CB VAL A 61 -2.172 10.056 5.498 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.689 10.440 5.576 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.508 9.133 6.680 1.00 10.00 C ATOM 0 H VAL A 61 -4.549 9.937 4.914 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.066 11.709 6.506 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.355 9.531 4.561 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -0.079 9.537 5.576 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.427 11.055 4.715 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.506 11.001 6.492 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.854 8.261 6.659 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.363 9.673 7.616 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.546 8.809 6.605 1.00 10.00 H new ATOM 932 N GLY A 62 -2.721 12.171 3.237 1.00 10.00 N ATOM 933 CA GLY A 62 -2.286 13.131 2.236 1.00 10.00 C ATOM 934 C GLY A 62 -0.820 12.900 1.883 1.00 10.00 C ATOM 935 O GLY A 62 -0.037 12.424 2.703 1.00 10.00 O ATOM 0 H GLY A 62 -3.147 11.329 2.850 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.902 13.038 1.341 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.421 14.145 2.612 1.00 10.00 H new ATOM 939 N HIS A 63 -0.464 13.182 0.628 1.00 10.00 N ATOM 940 CA HIS A 63 0.802 12.805 0.021 1.00 10.00 C ATOM 941 C HIS A 63 1.060 13.770 -1.149 1.00 10.00 C ATOM 942 O HIS A 63 0.108 14.314 -1.709 1.00 10.00 O ATOM 943 CB HIS A 63 0.699 11.344 -0.453 1.00 10.00 C ATOM 944 CG HIS A 63 0.813 10.292 0.635 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.193 9.792 1.438 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.955 9.614 0.959 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.355 8.858 2.242 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.664 8.692 1.974 1.00 10.00 N ATOM 0 H HIS A 63 -1.073 13.696 -0.009 1.00 10.00 H new ATOM 0 HA HIS A 63 1.633 12.872 0.723 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.256 11.212 -0.962 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.481 11.164 -1.191 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.172 10.077 1.425 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.924 9.764 0.506 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.186 8.314 3.002 1.00 10.00 H new ATOM 956 N SER A 64 2.332 14.004 -1.498 1.00 10.00 N ATOM 957 CA SER A 64 2.746 14.985 -2.507 1.00 10.00 C ATOM 958 C SER A 64 2.859 14.360 -3.907 1.00 10.00 C ATOM 959 O SER A 64 2.653 13.163 -4.093 1.00 10.00 O ATOM 960 CB SER A 64 4.063 15.660 -2.067 1.00 10.00 C ATOM 961 OG SER A 64 3.840 17.021 -1.749 1.00 10.00 O ATOM 0 H SER A 64 3.117 13.506 -1.078 1.00 10.00 H new ATOM 0 HA SER A 64 1.973 15.750 -2.582 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.473 15.141 -1.201 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.802 15.583 -2.864 1.00 10.00 H new ATOM 0 HG SER A 64 4.684 17.434 -1.470 1.00 10.00 H new ATOM 967 N THR A 65 3.215 15.176 -4.904 1.00 10.00 N ATOM 968 CA THR A 65 3.459 14.752 -6.278 1.00 10.00 C ATOM 969 C THR A 65 4.508 13.641 -6.307 1.00 10.00 C ATOM 970 O THR A 65 4.302 12.595 -6.916 1.00 10.00 O ATOM 971 CB THR A 65 3.933 15.980 -7.064 1.00 10.00 C ATOM 972 OG1 THR A 65 4.963 16.605 -6.320 1.00 10.00 O ATOM 973 CG2 THR A 65 2.791 16.989 -7.250 1.00 10.00 C ATOM 0 H THR A 65 3.344 16.179 -4.769 1.00 10.00 H new ATOM 0 HA THR A 65 2.550 14.352 -6.728 1.00 10.00 H new ATOM 0 HB THR A 65 4.282 15.661 -8.046 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.284 17.394 -6.805 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.154 17.850 -7.811 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.975 16.518 -7.797 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.432 17.316 -6.274 1.00 10.00 H new ATOM 981 N ASP A 66 5.618 13.873 -5.606 1.00 10.00 N ATOM 982 CA ASP A 66 6.702 12.915 -5.472 1.00 10.00 C ATOM 983 C ASP A 66 6.152 11.553 -5.057 1.00 10.00 C ATOM 984 O ASP A 66 6.425 10.545 -5.692 1.00 10.00 O ATOM 985 CB ASP A 66 7.718 13.436 -4.448 1.00 10.00 C ATOM 986 CG ASP A 66 9.131 13.074 -4.872 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.474 11.883 -4.726 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.828 13.998 -5.343 1.00 10.00 O ATOM 0 H ASP A 66 5.786 14.748 -5.109 1.00 10.00 H new ATOM 0 HA ASP A 66 7.205 12.794 -6.432 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.626 14.518 -4.353 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.506 13.011 -3.467 1.00 10.00 H new ATOM 993 N ALA A 67 5.293 11.536 -4.035 1.00 10.00 N ATOM 994 CA ALA A 67 4.618 10.327 -3.583 1.00 10.00 C ATOM 995 C ALA A 67 3.686 9.766 -4.658 1.00 10.00 C ATOM 996 O ALA A 67 3.686 8.558 -4.882 1.00 10.00 O ATOM 997 CB ALA A 67 3.853 10.591 -2.289 1.00 10.00 C ATOM 0 H ALA A 67 5.048 12.368 -3.498 1.00 10.00 H new ATOM 0 HA ALA A 67 5.383 9.575 -3.388 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.355 9.676 -1.967 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.548 10.917 -1.515 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.108 11.369 -2.459 1.00 10.00 H new ATOM 1003 N ARG A 68 2.887 10.619 -5.310 1.00 10.00 N ATOM 1004 CA ARG A 68 1.974 10.201 -6.372 1.00 10.00 C ATOM 1005 C ARG A 68 2.741 9.492 -7.509 1.00 10.00 C ATOM 1006 O ARG A 68 2.194 8.607 -8.166 1.00 10.00 O ATOM 1007 CB ARG A 68 1.209 11.408 -6.942 1.00 10.00 C ATOM 1008 CG ARG A 68 0.083 11.888 -6.015 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.370 13.313 -6.358 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.811 13.410 -6.652 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.442 14.557 -6.961 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.764 15.710 -6.956 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.742 14.549 -7.280 1.00 10.00 N ATOM 0 H ARG A 68 2.858 11.619 -5.113 1.00 10.00 H new ATOM 0 HA ARG A 68 1.260 9.502 -5.937 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.907 12.227 -7.113 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.787 11.141 -7.911 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.766 11.208 -6.092 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.425 11.855 -4.981 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.131 13.974 -5.525 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.195 13.669 -7.220 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.364 12.554 -6.619 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.772 15.717 -6.718 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.239 16.582 -7.190 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.259 13.670 -7.290 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.215 15.422 -7.513 1.00 10.00 H new ATOM 1027 N GLU A 69 3.984 9.916 -7.770 1.00 10.00 N ATOM 1028 CA GLU A 69 4.854 9.366 -8.811 1.00 10.00 C ATOM 1029 C GLU A 69 5.622 8.145 -8.290 1.00 10.00 C ATOM 1030 O GLU A 69 5.791 7.141 -8.978 1.00 10.00 O ATOM 1031 CB GLU A 69 5.795 10.479 -9.291 1.00 10.00 C ATOM 1032 CG GLU A 69 5.232 11.209 -10.521 1.00 10.00 C ATOM 1033 CD GLU A 69 5.747 10.595 -11.819 1.00 10.00 C ATOM 1034 OE1 GLU A 69 6.851 11.006 -12.234 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.030 9.727 -12.362 1.00 10.00 O ATOM 0 H GLU A 69 4.423 10.673 -7.246 1.00 10.00 H new ATOM 0 HA GLU A 69 4.259 9.017 -9.655 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.953 11.195 -8.484 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.768 10.053 -9.535 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.143 11.166 -10.504 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.510 12.262 -10.480 1.00 10.00 H new ATOM 1042 N LEU A 70 6.086 8.215 -7.047 1.00 10.00 N ATOM 1043 CA LEU A 70 6.807 7.139 -6.394 1.00 10.00 C ATOM 1044 C LEU A 70 5.891 5.921 -6.317 1.00 10.00 C ATOM 1045 O LEU A 70 6.244 4.842 -6.782 1.00 10.00 O ATOM 1046 CB LEU A 70 7.309 7.641 -5.032 1.00 10.00 C ATOM 1047 CG LEU A 70 8.089 6.686 -4.116 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.560 5.429 -4.821 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.268 7.382 -3.434 1.00 10.00 C ATOM 0 H LEU A 70 5.967 9.039 -6.458 1.00 10.00 H new ATOM 0 HA LEU A 70 7.690 6.829 -6.952 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.944 8.508 -5.217 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.442 7.994 -4.474 1.00 10.00 H new ATOM 0 HG LEU A 70 7.376 6.378 -3.351 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.104 4.799 -4.117 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.699 4.883 -5.206 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.217 5.700 -5.648 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.791 6.670 -2.796 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.953 7.763 -4.191 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.901 8.210 -2.828 1.00 10.00 H new ATOM 1061 N SER A 71 4.690 6.095 -5.771 1.00 10.00 N ATOM 1062 CA SER A 71 3.666 5.061 -5.743 1.00 10.00 C ATOM 1063 C SER A 71 3.615 4.315 -7.076 1.00 10.00 C ATOM 1064 O SER A 71 3.722 3.096 -7.087 1.00 10.00 O ATOM 1065 CB SER A 71 2.306 5.649 -5.362 1.00 10.00 C ATOM 1066 OG SER A 71 1.760 6.405 -6.420 1.00 10.00 O ATOM 0 H SER A 71 4.400 6.969 -5.331 1.00 10.00 H new ATOM 0 HA SER A 71 3.928 4.335 -4.974 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.621 4.844 -5.096 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.414 6.280 -4.480 1.00 10.00 H new ATOM 0 HG SER A 71 2.437 7.025 -6.762 1.00 10.00 H new ATOM 1072 N LYS A 72 3.508 5.027 -8.201 1.00 10.00 N ATOM 1073 CA LYS A 72 3.536 4.406 -9.519 1.00 10.00 C ATOM 1074 C LYS A 72 4.737 3.465 -9.708 1.00 10.00 C ATOM 1075 O LYS A 72 4.566 2.355 -10.203 1.00 10.00 O ATOM 1076 CB LYS A 72 3.474 5.468 -10.623 1.00 10.00 C ATOM 1077 CG LYS A 72 2.063 6.066 -10.735 1.00 10.00 C ATOM 1078 CD LYS A 72 1.566 6.010 -12.188 1.00 10.00 C ATOM 1079 CE LYS A 72 0.052 5.788 -12.244 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.443 5.859 -13.634 1.00 10.00 N ATOM 0 H LYS A 72 3.401 6.041 -8.220 1.00 10.00 H new ATOM 0 HA LYS A 72 2.646 3.781 -9.595 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.192 6.260 -10.411 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.761 5.024 -11.576 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.377 5.518 -10.089 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.071 7.099 -10.387 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.820 6.939 -12.699 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.075 5.205 -12.719 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.192 4.816 -11.816 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.452 6.539 -11.636 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.472 5.705 -13.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.229 6.796 -14.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 0.022 5.126 -14.206 1.00 10.00 H new ATOM 1094 N THR A 73 5.935 3.859 -9.277 1.00 10.00 N ATOM 1095 CA THR A 73 7.107 2.983 -9.283 1.00 10.00 C ATOM 1096 C THR A 73 6.894 1.711 -8.445 1.00 10.00 C ATOM 1097 O THR A 73 7.463 0.668 -8.760 1.00 10.00 O ATOM 1098 CB THR A 73 8.364 3.791 -8.898 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.743 4.589 -10.001 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.560 2.938 -8.467 1.00 10.00 C ATOM 0 H THR A 73 6.121 4.794 -8.914 1.00 10.00 H new ATOM 0 HA THR A 73 7.265 2.609 -10.295 1.00 10.00 H new ATOM 0 HB THR A 73 8.091 4.390 -8.029 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.540 5.110 -9.769 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.398 3.588 -8.215 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.287 2.343 -7.596 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.847 2.275 -9.283 1.00 10.00 H new ATOM 1108 N PHE A 74 6.056 1.777 -7.410 1.00 10.00 N ATOM 1109 CA PHE A 74 5.656 0.631 -6.591 1.00 10.00 C ATOM 1110 C PHE A 74 4.354 -0.022 -7.065 1.00 10.00 C ATOM 1111 O PHE A 74 3.885 -0.968 -6.426 1.00 10.00 O ATOM 1112 CB PHE A 74 5.502 1.058 -5.123 1.00 10.00 C ATOM 1113 CG PHE A 74 6.807 1.245 -4.385 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.697 0.160 -4.269 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.074 2.444 -3.703 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.894 0.303 -3.552 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.270 2.584 -2.981 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.188 1.523 -2.926 1.00 10.00 C ATOM 0 H PHE A 74 5.625 2.651 -7.110 1.00 10.00 H new ATOM 0 HA PHE A 74 6.448 -0.111 -6.692 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.941 1.992 -5.086 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.908 0.309 -4.600 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.457 -0.785 -4.733 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.362 3.255 -3.734 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.586 -0.523 -3.482 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.484 3.509 -2.467 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.123 1.647 -2.400 1.00 10.00 H new ATOM 1128 N ILE A 75 3.740 0.470 -8.145 1.00 10.00 N ATOM 1129 CA ILE A 75 2.507 -0.125 -8.635 1.00 10.00 C ATOM 1130 C ILE A 75 2.804 -1.551 -9.090 1.00 10.00 C ATOM 1131 O ILE A 75 3.786 -1.785 -9.791 1.00 10.00 O ATOM 1132 CB ILE A 75 1.867 0.741 -9.732 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.356 0.790 -9.496 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.222 0.326 -11.167 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.370 1.595 -10.561 1.00 10.00 C ATOM 0 H ILE A 75 4.075 1.267 -8.686 1.00 10.00 H new ATOM 0 HA ILE A 75 1.766 -0.170 -7.837 1.00 10.00 H new ATOM 0 HB ILE A 75 2.291 1.742 -9.649 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.040 -0.226 -9.479 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.158 1.226 -8.517 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.726 0.993 -11.872 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.301 0.388 -11.307 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.892 -0.698 -11.342 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.439 1.599 -10.348 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.004 2.619 -10.561 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.196 1.145 -11.539 1.00 10.00 H new ATOM 1147 N ILE A 76 1.962 -2.503 -8.693 1.00 10.00 N ATOM 1148 CA ILE A 76 2.093 -3.892 -9.125 1.00 10.00 C ATOM 1149 C ILE A 76 0.948 -4.300 -10.054 1.00 10.00 C ATOM 1150 O ILE A 76 0.978 -5.387 -10.635 1.00 10.00 O ATOM 1151 CB ILE A 76 2.241 -4.811 -7.903 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.252 -4.415 -6.796 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.687 -4.754 -7.381 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.237 -5.408 -5.640 1.00 10.00 C ATOM 0 H ILE A 76 1.175 -2.335 -8.067 1.00 10.00 H new ATOM 0 HA ILE A 76 3.002 -3.997 -9.718 1.00 10.00 H new ATOM 0 HB ILE A 76 2.012 -5.833 -8.205 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.513 -3.427 -6.418 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.250 -4.340 -7.219 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.787 -5.407 -6.514 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.370 -5.083 -8.164 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.930 -3.731 -7.094 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.521 -5.079 -4.887 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.949 -6.392 -6.009 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.231 -5.464 -5.196 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.047 -3.424 -10.206 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.193 -3.586 -11.072 1.00 10.00 C ATOM 1168 C GLY A 77 -2.359 -2.884 -10.402 1.00 10.00 C ATOM 1169 O GLY A 77 -2.172 -1.899 -9.685 1.00 10.00 O ATOM 0 H GLY A 77 -0.066 -2.540 -9.697 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.997 -3.156 -12.055 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.415 -4.642 -11.224 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.552 -3.430 -10.606 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.793 -2.831 -10.178 1.00 10.00 C ATOM 1175 C GLU A 78 -5.666 -3.870 -9.480 1.00 10.00 C ATOM 1176 O GLU A 78 -5.367 -5.066 -9.465 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.453 -2.155 -11.390 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.103 -0.666 -11.514 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.807 -0.262 -12.951 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -3.651 -0.485 -13.370 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.737 0.263 -13.598 1.00 10.00 O ATOM 0 H GLU A 78 -3.677 -4.322 -11.085 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.625 -2.053 -9.433 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.145 -2.671 -12.299 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.535 -2.263 -11.314 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.930 -0.067 -11.133 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.237 -0.445 -10.891 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.735 -3.387 -8.859 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.697 -4.220 -8.167 1.00 10.00 C ATOM 1190 C LEU A 79 -8.483 -5.027 -9.203 1.00 10.00 C ATOM 1191 O LEU A 79 -8.926 -4.483 -10.215 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.621 -3.307 -7.356 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.801 -4.068 -6.729 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.443 -4.577 -5.336 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.053 -3.193 -6.690 1.00 10.00 C ATOM 0 H LEU A 79 -6.957 -2.392 -8.824 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.206 -4.918 -7.489 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.046 -2.822 -6.567 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.005 -2.518 -8.002 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.016 -4.934 -7.355 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.294 -5.112 -4.914 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.589 -5.250 -5.403 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.190 -3.733 -4.694 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.874 -3.753 -6.242 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.855 -2.301 -6.095 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.324 -2.900 -7.704 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.702 -6.316 -8.941 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.529 -7.172 -9.784 1.00 10.00 C ATOM 1209 C HIS A 80 -10.930 -6.583 -10.000 1.00 10.00 C ATOM 1210 O HIS A 80 -11.516 -6.011 -9.083 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.601 -8.565 -9.158 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.739 -9.688 -10.149 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.886 -10.384 -10.434 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.728 -10.248 -10.883 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.582 -11.316 -11.349 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.278 -11.268 -11.662 1.00 10.00 N ATOM 0 H HIS A 80 -8.307 -6.796 -8.132 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.071 -7.241 -10.771 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.702 -8.730 -8.564 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.447 -8.598 -8.471 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.689 -9.953 -10.863 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.290 -12.011 -11.776 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.787 -11.858 -12.334 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.494 -6.713 -11.209 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.843 -6.249 -11.491 1.00 10.00 C ATOM 1226 C PRO A 81 -13.919 -7.112 -10.819 1.00 10.00 C ATOM 1227 O PRO A 81 -15.082 -6.734 -10.855 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.963 -6.250 -13.017 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.952 -7.304 -13.468 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.869 -7.271 -12.398 1.00 10.00 C ATOM 0 HA PRO A 81 -13.010 -5.254 -11.079 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.973 -6.504 -13.338 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.732 -5.271 -13.436 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.411 -8.290 -13.539 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.546 -7.070 -14.452 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.484 -8.272 -12.203 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.024 -6.661 -12.717 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.548 -8.248 -10.213 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.474 -9.076 -9.440 1.00 10.00 C ATOM 1240 C ASP A 82 -14.803 -8.421 -8.091 1.00 10.00 C ATOM 1241 O ASP A 82 -15.908 -8.560 -7.577 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.859 -10.468 -9.249 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.843 -11.463 -8.655 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.535 -12.114 -9.466 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.830 -11.598 -7.415 1.00 10.00 O ATOM 0 H ASP A 82 -12.597 -8.616 -10.247 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.413 -9.173 -9.984 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.506 -10.841 -10.211 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.988 -10.391 -8.598 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.822 -7.709 -7.520 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.963 -7.039 -6.232 1.00 10.00 C ATOM 1252 C ASP A 83 -14.879 -5.810 -6.329 1.00 10.00 C ATOM 1253 O ASP A 83 -15.747 -5.606 -5.482 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.577 -6.651 -5.718 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.700 -5.876 -4.415 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.915 -6.552 -3.389 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.556 -4.636 -4.467 1.00 10.00 O ATOM 0 H ASP A 83 -12.904 -7.584 -7.947 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.433 -7.726 -5.528 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.975 -7.546 -5.562 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.061 -6.045 -6.463 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.644 -4.984 -7.353 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.457 -3.808 -7.655 1.00 10.00 C ATOM 1264 C ARG A 84 -16.906 -4.176 -7.983 1.00 10.00 C ATOM 1265 O ARG A 84 -17.131 -5.310 -8.457 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.851 -3.047 -8.843 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.919 -1.923 -8.382 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.075 -1.400 -9.550 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.163 -2.432 -10.085 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.627 -2.417 -11.318 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.917 -1.422 -12.163 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.798 -3.386 -11.713 1.00 10.00 N ATOM 0 H ARG A 84 -13.870 -5.118 -8.004 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.462 -3.181 -6.764 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.298 -3.741 -9.476 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.651 -2.628 -9.453 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.507 -1.108 -7.959 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.265 -2.289 -7.590 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.734 -1.052 -10.345 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.493 -0.540 -9.219 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.922 -3.213 -9.474 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.546 -0.673 -11.872 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.510 -1.412 -13.098 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.565 -4.149 -11.077 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.398 -3.364 -12.651 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.978 7.432 2.793 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.317 10.141 4.478 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.152 7.901 0.158 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.453 4.770 1.129 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.827 6.856 5.540 1.00 10.00 C HETATM 1292 NA HEM A 201 4.481 8.758 2.402 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.821 9.806 3.210 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.810 10.585 2.502 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.116 9.909 1.339 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.228 8.773 1.253 1.00 10.00 C HETATM 1297 CMA HEM A 201 7.153 10.301 0.313 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.283 11.962 2.918 1.00 10.00 C HETATM 1299 CBA HEM A 201 7.285 11.951 4.076 1.00 10.00 C HETATM 1300 CGA HEM A 201 7.536 13.329 4.672 1.00 10.00 C HETATM 1301 O1A HEM A 201 8.588 13.469 5.331 1.00 10.00 O HETATM 1302 O2A HEM A 201 6.677 14.214 4.465 1.00 10.00 O HETATM 1303 NB HEM A 201 3.245 6.514 0.989 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.201 6.876 0.062 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.061 5.988 -1.071 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.010 5.156 -0.781 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.507 5.454 0.529 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.938 5.927 -2.293 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.427 4.113 -1.703 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.429 4.414 -2.549 1.00 10.00 C HETATM 1311 NC HEM A 201 1.401 6.082 3.237 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.960 5.089 2.389 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.164 4.433 3.021 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.318 5.035 4.241 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.670 6.070 4.399 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.046 3.346 2.458 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.392 4.681 5.243 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.398 3.458 5.814 1.00 10.00 C HETATM 1319 ND HEM A 201 2.647 8.327 4.685 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.765 7.883 5.633 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.010 8.642 6.834 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.927 9.619 6.523 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.351 9.394 5.157 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.388 8.390 8.188 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.460 10.640 7.505 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.455 11.720 7.890 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.532 12.020 9.382 1.00 10.00 C HETATM 1328 O1D HEM A 201 1.774 11.363 10.128 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.370 12.870 9.749 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.518 9.408 -0.195 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.985 10.801 0.809 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.706 10.977 -0.416 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.350 6.916 -2.495 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.348 5.599 -3.149 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.752 5.222 -2.122 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.104 3.449 1.374 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -2.045 3.431 2.885 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.626 2.371 2.707 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 2.080 8.702 8.970 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.173 7.327 8.297 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.462 8.959 8.275 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.022 3.646 -3.207 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.026 5.426 -2.578 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.171 3.198 6.537 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.630 2.730 5.552 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 8.230 11.538 3.725 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 6.918 11.287 4.858 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 5.419 12.561 3.204 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.741 12.453 2.059 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.447 11.395 7.631 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.653 12.628 7.321 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.341 11.116 7.075 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.786 10.124 8.408 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.700 11.030 4.957 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.859 8.025 -0.649 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.997 3.953 0.590 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.192 6.660 6.391 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.823 3.098 -1.682 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.159 5.410 5.504 1.00 10.00 H new