USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 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 57 MET CE :methyl 180:sc= -5.61 (180deg=-5.61) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.302 K(o=-5.3,f=-8.9!) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.891 K(o=-1.4,f=-1.9) USER MOD Set 2.2: A 53 HIS : no HE2:sc= -0.494 K(o=-1.4,f=-3.8) USER MOD Set 3.1: A 7 GLN : amide:sc= 0.45 K(o=1.5,f=0.28) USER MOD Set 3.2: A 8 TYR OH : rot 172:sc= 0.594 USER MOD Set 3.3: A 82 HIS : no HD1:sc= 0.493 K(o=1.5,f=-0.65) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.02) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 65:sc= 0.83 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.588 K(o=0.59,f=-3.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -149:sc= 0.999 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.57) USER MOD Single : A 41 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.481 K(o=0.48,f=-1.3) USER MOD Single : A 52 SER OG : rot -37:sc= 0.907 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 61 TYR OH : rot 120:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.228 USER MOD Single : A 67 THR OG1 : rot -37:sc= 0.0557 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00987) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.170 -20.197 -9.027 1.00 0.00 N ATOM 2 CA GLY A 1 -13.319 -21.038 -8.186 1.00 0.00 C ATOM 3 C GLY A 1 -11.914 -21.004 -8.738 1.00 0.00 C ATOM 4 O GLY A 1 -11.664 -21.554 -9.810 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.143 -20.210 -8.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.810 -19.221 -9.019 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.163 -20.561 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.330 -20.679 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.695 -22.061 -8.170 1.00 0.00 H new ATOM 8 N ALA A 2 -11.012 -20.306 -8.057 1.00 0.00 N ATOM 9 CA ALA A 2 -9.600 -20.170 -8.367 1.00 0.00 C ATOM 10 C ALA A 2 -8.939 -19.537 -7.149 1.00 0.00 C ATOM 11 O ALA A 2 -9.635 -18.928 -6.334 1.00 0.00 O ATOM 12 CB ALA A 2 -9.421 -19.229 -9.564 1.00 0.00 C ATOM 0 H ALA A 2 -11.269 -19.786 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.163 -21.139 -8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.360 -19.130 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.943 -19.638 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.833 -18.249 -9.322 1.00 0.00 H new ATOM 18 N ALA A 3 -7.611 -19.587 -7.077 1.00 0.00 N ATOM 19 CA ALA A 3 -6.822 -18.807 -6.142 1.00 0.00 C ATOM 20 C ALA A 3 -5.917 -17.881 -6.942 1.00 0.00 C ATOM 21 O ALA A 3 -4.786 -18.238 -7.276 1.00 0.00 O ATOM 22 CB ALA A 3 -6.054 -19.721 -5.197 1.00 0.00 C ATOM 0 H ALA A 3 -7.047 -20.185 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.463 -18.195 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.468 -19.118 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.756 -20.338 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.387 -20.362 -5.773 1.00 0.00 H new ATOM 28 N GLY A 4 -6.427 -16.691 -7.234 1.00 0.00 N ATOM 29 CA GLY A 4 -5.634 -15.536 -7.608 1.00 0.00 C ATOM 30 C GLY A 4 -5.657 -14.565 -6.448 1.00 0.00 C ATOM 31 O GLY A 4 -6.105 -14.885 -5.350 1.00 0.00 O ATOM 0 H GLY A 4 -7.429 -16.502 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.611 -15.833 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.039 -15.069 -8.506 1.00 0.00 H new ATOM 35 N ILE A 5 -5.167 -13.362 -6.688 1.00 0.00 N ATOM 36 CA ILE A 5 -5.044 -12.346 -5.653 1.00 0.00 C ATOM 37 C ILE A 5 -6.396 -11.727 -5.278 1.00 0.00 C ATOM 38 O ILE A 5 -6.493 -10.962 -4.322 1.00 0.00 O ATOM 39 CB ILE A 5 -4.066 -11.263 -6.156 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.625 -10.504 -7.383 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.699 -11.909 -6.455 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.690 -9.415 -7.904 1.00 0.00 C ATOM 0 H ILE A 5 -4.842 -13.060 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.663 -12.813 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.938 -10.516 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.820 -11.218 -8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.581 -10.054 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.006 -11.146 -6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.304 -12.362 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.819 -12.676 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.146 -8.925 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.514 -8.680 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.741 -9.862 -8.202 1.00 0.00 H new ATOM 54 N ASP A 6 -7.427 -12.026 -6.062 1.00 0.00 N ATOM 55 CA ASP A 6 -8.757 -11.435 -6.011 1.00 0.00 C ATOM 56 C ASP A 6 -9.447 -11.731 -4.681 1.00 0.00 C ATOM 57 O ASP A 6 -10.235 -10.913 -4.208 1.00 0.00 O ATOM 58 CB ASP A 6 -9.546 -12.027 -7.181 1.00 0.00 C ATOM 59 CG ASP A 6 -10.528 -11.091 -7.875 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.918 -10.025 -7.355 1.00 0.00 O ATOM 61 OD2 ASP A 6 -10.896 -11.400 -9.033 1.00 0.00 O ATOM 0 H ASP A 6 -7.350 -12.731 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.697 -10.349 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.836 -12.390 -7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.098 -12.894 -6.818 1.00 0.00 H new ATOM 66 N GLN A 7 -9.111 -12.864 -4.052 1.00 0.00 N ATOM 67 CA GLN A 7 -9.560 -13.208 -2.709 1.00 0.00 C ATOM 68 C GLN A 7 -9.083 -12.194 -1.658 1.00 0.00 C ATOM 69 O GLN A 7 -9.749 -12.030 -0.637 1.00 0.00 O ATOM 70 CB GLN A 7 -9.065 -14.625 -2.369 1.00 0.00 C ATOM 71 CG GLN A 7 -7.543 -14.655 -2.164 1.00 0.00 C ATOM 72 CD GLN A 7 -6.977 -16.060 -2.083 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.960 -16.690 -1.030 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.445 -16.558 -3.181 1.00 0.00 N ATOM 0 H GLN A 7 -8.511 -13.573 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.649 -13.179 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.562 -14.978 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.339 -15.310 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.062 -14.124 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.296 -14.118 -1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.468 -16.021 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.010 -17.481 -3.164 1.00 0.00 H new ATOM 83 N TYR A 8 -7.937 -11.540 -1.881 1.00 0.00 N ATOM 84 CA TYR A 8 -7.348 -10.600 -0.937 1.00 0.00 C ATOM 85 C TYR A 8 -7.704 -9.168 -1.325 1.00 0.00 C ATOM 86 O TYR A 8 -7.248 -8.252 -0.642 1.00 0.00 O ATOM 87 CB TYR A 8 -5.816 -10.753 -0.885 1.00 0.00 C ATOM 88 CG TYR A 8 -5.286 -12.169 -0.799 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.564 -12.985 0.312 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.531 -12.683 -1.865 1.00 0.00 C ATOM 91 CE1 TYR A 8 -5.111 -14.319 0.342 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.047 -13.996 -1.830 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.344 -14.831 -0.731 1.00 0.00 C ATOM 94 OH TYR A 8 -3.971 -16.141 -0.760 1.00 0.00 O ATOM 0 H TYR A 8 -7.391 -11.654 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.754 -10.820 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.395 -10.283 -1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.445 -10.196 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.126 -12.588 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.321 -12.059 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.349 -14.951 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.445 -14.371 -2.645 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.567 -16.347 -1.629 1.00 0.00 H new ATOM 104 N ALA A 9 -8.426 -8.947 -2.437 1.00 0.00 N ATOM 105 CA ALA A 9 -8.833 -7.617 -2.862 1.00 0.00 C ATOM 106 C ALA A 9 -9.893 -7.073 -1.903 1.00 0.00 C ATOM 107 O ALA A 9 -11.099 -7.210 -2.139 1.00 0.00 O ATOM 108 CB ALA A 9 -9.319 -7.652 -4.315 1.00 0.00 C ATOM 0 H ALA A 9 -8.739 -9.692 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.981 -6.938 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.621 -6.651 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.513 -8.002 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.169 -8.329 -4.398 1.00 0.00 H new ATOM 114 N LEU A 10 -9.432 -6.442 -0.826 1.00 0.00 N ATOM 115 CA LEU A 10 -10.267 -5.743 0.134 1.00 0.00 C ATOM 116 C LEU A 10 -10.837 -4.524 -0.582 1.00 0.00 C ATOM 117 O LEU A 10 -10.139 -3.935 -1.413 1.00 0.00 O ATOM 118 CB LEU A 10 -9.442 -5.295 1.360 1.00 0.00 C ATOM 119 CG LEU A 10 -8.716 -6.408 2.146 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.984 -5.816 3.358 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.676 -7.485 2.651 1.00 0.00 C ATOM 0 H LEU A 10 -8.439 -6.405 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.059 -6.398 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.697 -4.573 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.108 -4.771 2.046 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.010 -6.865 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.477 -6.613 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.250 -5.085 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.704 -5.329 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.116 -8.244 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.415 -7.033 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.183 -7.947 1.804 1.00 0.00 H new ATOM 133 N LYS A 11 -12.070 -4.125 -0.261 1.00 0.00 N ATOM 134 CA LYS A 11 -12.607 -2.856 -0.758 1.00 0.00 C ATOM 135 C LYS A 11 -12.588 -1.773 0.308 1.00 0.00 C ATOM 136 O LYS A 11 -12.719 -0.592 -0.021 1.00 0.00 O ATOM 137 CB LYS A 11 -14.025 -3.006 -1.319 1.00 0.00 C ATOM 138 CG LYS A 11 -14.005 -3.655 -2.705 1.00 0.00 C ATOM 139 CD LYS A 11 -15.343 -3.424 -3.413 1.00 0.00 C ATOM 140 CE LYS A 11 -15.341 -3.988 -4.838 1.00 0.00 C ATOM 141 NZ LYS A 11 -15.254 -5.460 -4.846 1.00 0.00 N ATOM 0 H LYS A 11 -12.708 -4.654 0.333 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.948 -2.553 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.626 -3.611 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.501 -2.027 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.193 -3.236 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.814 -4.724 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.143 -3.891 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.557 -2.356 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.249 -3.675 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.500 -3.571 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.324 -5.807 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.345 -5.756 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.032 -5.857 -4.282 1.00 0.00 H new ATOM 155 N GLU A 12 -12.425 -2.147 1.570 1.00 0.00 N ATOM 156 CA GLU A 12 -12.277 -1.205 2.659 1.00 0.00 C ATOM 157 C GLU A 12 -11.489 -1.860 3.781 1.00 0.00 C ATOM 158 O GLU A 12 -11.332 -3.085 3.810 1.00 0.00 O ATOM 159 CB GLU A 12 -13.651 -0.699 3.126 1.00 0.00 C ATOM 160 CG GLU A 12 -14.546 -1.795 3.714 1.00 0.00 C ATOM 161 CD GLU A 12 -15.965 -1.276 3.936 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.758 -1.230 2.965 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.323 -0.920 5.083 1.00 0.00 O ATOM 0 H GLU A 12 -12.392 -3.123 1.864 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.722 -0.330 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.506 0.079 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.164 -0.238 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.569 -2.652 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.129 -2.143 4.659 1.00 0.00 H new ATOM 170 N PHE A 13 -10.997 -1.033 4.696 1.00 0.00 N ATOM 171 CA PHE A 13 -10.299 -1.426 5.901 1.00 0.00 C ATOM 172 C PHE A 13 -10.467 -0.313 6.929 1.00 0.00 C ATOM 173 O PHE A 13 -10.965 0.776 6.610 1.00 0.00 O ATOM 174 CB PHE A 13 -8.809 -1.654 5.599 1.00 0.00 C ATOM 175 CG PHE A 13 -8.029 -0.425 5.145 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.038 -0.027 3.794 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.198 0.258 6.054 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.218 1.031 3.353 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.357 1.299 5.612 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.371 1.691 4.262 1.00 0.00 C ATOM 0 H PHE A 13 -11.082 -0.020 4.607 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.710 -2.358 6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.333 -2.053 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.727 -2.419 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.679 -0.537 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.205 -0.018 7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.240 1.335 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.701 1.796 6.311 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.734 2.495 3.924 1.00 0.00 H new ATOM 190 N THR A 14 -9.954 -0.570 8.126 1.00 0.00 N ATOM 191 CA THR A 14 -9.757 0.447 9.141 1.00 0.00 C ATOM 192 C THR A 14 -8.328 0.263 9.647 1.00 0.00 C ATOM 193 O THR A 14 -7.938 -0.841 10.031 1.00 0.00 O ATOM 194 CB THR A 14 -10.825 0.334 10.246 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.127 0.255 9.686 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.796 1.532 11.202 1.00 0.00 C ATOM 0 H THR A 14 -9.661 -1.502 8.418 1.00 0.00 H new ATOM 0 HA THR A 14 -9.878 1.456 8.748 1.00 0.00 H new ATOM 0 HB THR A 14 -10.592 -0.575 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.789 0.182 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.566 1.408 11.964 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.818 1.592 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.983 2.449 10.643 1.00 0.00 H new ATOM 204 N ALA A 15 -7.519 1.320 9.613 1.00 0.00 N ATOM 205 CA ALA A 15 -6.196 1.378 10.222 1.00 0.00 C ATOM 206 C ALA A 15 -6.100 2.727 10.912 1.00 0.00 C ATOM 207 O ALA A 15 -6.778 3.665 10.509 1.00 0.00 O ATOM 208 CB ALA A 15 -5.096 1.224 9.166 1.00 0.00 C ATOM 0 H ALA A 15 -7.777 2.188 9.144 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.058 0.563 10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.120 1.271 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.206 0.263 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.179 2.028 8.435 1.00 0.00 H new ATOM 214 N ASP A 16 -5.245 2.875 11.919 1.00 0.00 N ATOM 215 CA ASP A 16 -5.137 4.137 12.665 1.00 0.00 C ATOM 216 C ASP A 16 -6.481 4.610 13.239 1.00 0.00 C ATOM 217 O ASP A 16 -6.732 5.805 13.385 1.00 0.00 O ATOM 218 CB ASP A 16 -4.442 5.205 11.779 1.00 0.00 C ATOM 219 CG ASP A 16 -3.032 5.578 12.226 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.432 4.839 13.040 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.490 6.569 11.685 1.00 0.00 O ATOM 0 H ASP A 16 -4.615 2.141 12.242 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.514 3.966 13.543 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.399 4.836 10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.056 6.105 11.768 1.00 0.00 H new ATOM 226 N PHE A 17 -7.369 3.669 13.554 1.00 0.00 N ATOM 227 CA PHE A 17 -8.763 3.869 13.957 1.00 0.00 C ATOM 228 C PHE A 17 -9.552 4.719 12.946 1.00 0.00 C ATOM 229 O PHE A 17 -10.550 5.347 13.294 1.00 0.00 O ATOM 230 CB PHE A 17 -8.852 4.437 15.382 1.00 0.00 C ATOM 231 CG PHE A 17 -7.787 3.974 16.357 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.861 2.703 16.956 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.714 4.830 16.663 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.858 2.287 17.848 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.716 4.419 17.560 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.786 3.146 18.147 1.00 0.00 C ATOM 0 H PHE A 17 -7.119 2.680 13.534 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.239 2.888 13.963 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.810 5.524 15.320 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.828 4.179 15.793 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.689 2.047 16.730 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.658 5.807 16.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.911 1.309 18.303 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.896 5.081 17.798 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.014 2.825 18.831 1.00 0.00 H new ATOM 246 N THR A 18 -9.089 4.761 11.701 1.00 0.00 N ATOM 247 CA THR A 18 -9.578 5.572 10.608 1.00 0.00 C ATOM 248 C THR A 18 -10.004 4.586 9.516 1.00 0.00 C ATOM 249 O THR A 18 -9.254 3.672 9.167 1.00 0.00 O ATOM 250 CB THR A 18 -8.439 6.500 10.148 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.901 7.259 11.226 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.895 7.461 9.052 1.00 0.00 C ATOM 0 H THR A 18 -8.300 4.181 11.415 1.00 0.00 H new ATOM 0 HA THR A 18 -10.422 6.207 10.878 1.00 0.00 H new ATOM 0 HB THR A 18 -7.664 5.844 9.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.476 6.656 11.871 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.061 8.098 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.240 6.891 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.709 8.081 9.427 1.00 0.00 H new ATOM 260 N GLN A 19 -11.227 4.720 9.018 1.00 0.00 N ATOM 261 CA GLN A 19 -11.769 3.889 7.961 1.00 0.00 C ATOM 262 C GLN A 19 -11.340 4.430 6.596 1.00 0.00 C ATOM 263 O GLN A 19 -11.161 5.644 6.431 1.00 0.00 O ATOM 264 CB GLN A 19 -13.290 3.868 8.127 1.00 0.00 C ATOM 265 CG GLN A 19 -13.970 2.994 7.077 1.00 0.00 C ATOM 266 CD GLN A 19 -15.241 2.390 7.638 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.278 3.047 7.758 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.156 1.131 8.015 1.00 0.00 N ATOM 0 H GLN A 19 -11.882 5.428 9.349 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.390 2.869 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.541 3.500 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.676 4.885 8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.201 3.589 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.292 2.202 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.280 0.622 7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.966 0.665 8.423 1.00 0.00 H new ATOM 277 N PHE A 20 -11.217 3.538 5.612 1.00 0.00 N ATOM 278 CA PHE A 20 -10.779 3.849 4.258 1.00 0.00 C ATOM 279 C PHE A 20 -11.383 2.866 3.273 1.00 0.00 C ATOM 280 O PHE A 20 -11.377 1.658 3.512 1.00 0.00 O ATOM 281 CB PHE A 20 -9.262 3.688 4.171 1.00 0.00 C ATOM 282 CG PHE A 20 -8.429 4.547 5.097 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.067 5.861 4.745 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.990 4.002 6.315 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.257 6.621 5.606 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.171 4.760 7.169 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.804 6.070 6.818 1.00 0.00 C ATOM 0 H PHE A 20 -11.427 2.549 5.744 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.089 4.867 4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.020 2.644 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.957 3.899 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.412 6.285 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.282 3.001 6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.982 7.630 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.822 4.334 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.176 6.652 7.477 1.00 0.00 H new ATOM 297 N HIS A 21 -11.774 3.358 2.102 1.00 0.00 N ATOM 298 CA HIS A 21 -12.348 2.582 1.008 1.00 0.00 C ATOM 299 C HIS A 21 -11.527 2.800 -0.274 1.00 0.00 C ATOM 300 O HIS A 21 -10.676 3.696 -0.314 1.00 0.00 O ATOM 301 CB HIS A 21 -13.817 2.977 0.824 1.00 0.00 C ATOM 302 CG HIS A 21 -14.592 3.233 2.097 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.579 4.407 2.817 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.413 2.357 2.751 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.354 4.237 3.899 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.912 3.013 3.882 1.00 0.00 N ATOM 0 H HIS A 21 -11.696 4.350 1.880 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.312 1.518 1.241 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.858 3.876 0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.320 2.186 0.267 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -14.070 5.256 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.636 1.344 2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.508 4.976 4.672 1.00 0.00 H new ATOM 314 N ILE A 22 -11.732 1.983 -1.314 1.00 0.00 N ATOM 315 CA ILE A 22 -11.038 2.147 -2.594 1.00 0.00 C ATOM 316 C ILE A 22 -11.485 3.477 -3.192 1.00 0.00 C ATOM 317 O ILE A 22 -12.650 3.632 -3.553 1.00 0.00 O ATOM 318 CB ILE A 22 -11.295 0.962 -3.557 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.811 -0.386 -2.985 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.650 1.197 -4.937 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.312 -0.495 -2.691 1.00 0.00 C ATOM 0 H ILE A 22 -12.379 1.195 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.960 2.153 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.377 0.909 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.357 -0.583 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.081 -1.174 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.853 0.343 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.067 2.099 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.573 1.315 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.090 -1.485 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.749 -0.339 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.029 0.261 -1.959 1.00 0.00 H new ATOM 333 N GLY A 23 -10.574 4.445 -3.292 1.00 0.00 N ATOM 334 CA GLY A 23 -10.853 5.769 -3.831 1.00 0.00 C ATOM 335 C GLY A 23 -10.865 6.865 -2.772 1.00 0.00 C ATOM 336 O GLY A 23 -10.975 8.032 -3.147 1.00 0.00 O ATOM 0 H GLY A 23 -9.606 4.325 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.104 6.011 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.819 5.751 -4.336 1.00 0.00 H new ATOM 340 N ASP A 24 -10.721 6.527 -1.490 1.00 0.00 N ATOM 341 CA ASP A 24 -10.426 7.487 -0.421 1.00 0.00 C ATOM 342 C ASP A 24 -8.938 7.882 -0.533 1.00 0.00 C ATOM 343 O ASP A 24 -8.266 7.502 -1.496 1.00 0.00 O ATOM 344 CB ASP A 24 -10.752 6.885 0.961 1.00 0.00 C ATOM 345 CG ASP A 24 -12.215 6.500 1.218 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.029 6.357 0.279 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.514 6.199 2.396 1.00 0.00 O ATOM 0 H ASP A 24 -10.807 5.566 -1.159 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.047 8.376 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.137 5.996 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.450 7.602 1.724 1.00 0.00 H new ATOM 352 N THR A 25 -8.375 8.613 0.431 1.00 0.00 N ATOM 353 CA THR A 25 -6.987 9.056 0.436 1.00 0.00 C ATOM 354 C THR A 25 -6.379 8.815 1.829 1.00 0.00 C ATOM 355 O THR A 25 -7.078 8.898 2.845 1.00 0.00 O ATOM 356 CB THR A 25 -6.937 10.550 0.072 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.002 10.981 -0.764 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.663 10.930 -0.643 1.00 0.00 C ATOM 0 H THR A 25 -8.893 8.921 1.254 1.00 0.00 H new ATOM 0 HA THR A 25 -6.408 8.494 -0.297 1.00 0.00 H new ATOM 0 HB THR A 25 -7.010 11.039 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.905 11.938 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.680 11.995 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.808 10.713 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.580 10.357 -1.567 1.00 0.00 H new ATOM 366 N VAL A 26 -5.074 8.555 1.895 1.00 0.00 N ATOM 367 CA VAL A 26 -4.356 8.252 3.139 1.00 0.00 C ATOM 368 C VAL A 26 -3.805 9.533 3.783 1.00 0.00 C ATOM 369 O VAL A 26 -3.608 10.525 3.072 1.00 0.00 O ATOM 370 CB VAL A 26 -3.225 7.222 2.905 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.766 5.949 2.250 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.046 7.753 2.074 1.00 0.00 C ATOM 0 H VAL A 26 -4.472 8.548 1.072 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.072 7.805 3.829 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.839 7.004 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.950 5.243 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.519 5.499 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.215 6.197 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.299 6.967 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.403 8.062 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.598 8.607 2.582 1.00 0.00 H new ATOM 382 N PRO A 27 -3.522 9.530 5.100 1.00 0.00 N ATOM 383 CA PRO A 27 -2.724 10.564 5.751 1.00 0.00 C ATOM 384 C PRO A 27 -1.235 10.408 5.437 1.00 0.00 C ATOM 385 O PRO A 27 -0.772 9.325 5.070 1.00 0.00 O ATOM 386 CB PRO A 27 -2.959 10.361 7.247 1.00 0.00 C ATOM 387 CG PRO A 27 -3.247 8.873 7.375 1.00 0.00 C ATOM 388 CD PRO A 27 -3.972 8.544 6.074 1.00 0.00 C ATOM 0 HA PRO A 27 -3.011 11.557 5.406 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.085 10.650 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.795 10.962 7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.330 8.293 7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.865 8.656 8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.737 7.533 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.053 8.593 6.207 1.00 0.00 H new ATOM 396 N ALA A 28 -0.467 11.469 5.705 1.00 0.00 N ATOM 397 CA ALA A 28 0.969 11.542 5.465 1.00 0.00 C ATOM 398 C ALA A 28 1.757 10.500 6.268 1.00 0.00 C ATOM 399 O ALA A 28 2.893 10.195 5.905 1.00 0.00 O ATOM 400 CB ALA A 28 1.463 12.964 5.750 1.00 0.00 C ATOM 0 H ALA A 28 -0.845 12.326 6.108 1.00 0.00 H new ATOM 0 HA ALA A 28 1.147 11.304 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.537 13.019 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.949 13.666 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.255 13.220 6.789 1.00 0.00 H new ATOM 406 N MET A 29 1.148 9.898 7.297 1.00 0.00 N ATOM 407 CA MET A 29 1.706 8.784 8.045 1.00 0.00 C ATOM 408 C MET A 29 2.115 7.629 7.128 1.00 0.00 C ATOM 409 O MET A 29 3.045 6.899 7.456 1.00 0.00 O ATOM 410 CB MET A 29 0.668 8.266 9.047 1.00 0.00 C ATOM 411 CG MET A 29 0.166 9.334 10.017 1.00 0.00 C ATOM 412 SD MET A 29 1.378 9.860 11.253 1.00 0.00 S ATOM 413 CE MET A 29 0.225 10.628 12.410 1.00 0.00 C ATOM 0 H MET A 29 0.230 10.186 7.635 1.00 0.00 H new ATOM 0 HA MET A 29 2.595 9.149 8.560 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.181 7.857 8.499 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.104 7.446 9.617 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.151 10.206 9.444 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.716 8.953 10.532 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.776 11.025 13.263 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.305 11.439 11.911 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.493 9.884 12.756 1.00 0.00 H new ATOM 423 N TYR A 30 1.434 7.443 5.991 1.00 0.00 N ATOM 424 CA TYR A 30 1.729 6.338 5.072 1.00 0.00 C ATOM 425 C TYR A 30 2.515 6.781 3.841 1.00 0.00 C ATOM 426 O TYR A 30 2.848 5.934 3.019 1.00 0.00 O ATOM 427 CB TYR A 30 0.427 5.635 4.664 1.00 0.00 C ATOM 428 CG TYR A 30 -0.327 5.068 5.850 1.00 0.00 C ATOM 429 CD1 TYR A 30 -1.265 5.870 6.521 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.018 3.789 6.345 1.00 0.00 C ATOM 431 CE1 TYR A 30 -1.833 5.442 7.734 1.00 0.00 C ATOM 432 CE2 TYR A 30 -0.602 3.345 7.544 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.479 4.184 8.266 1.00 0.00 C ATOM 434 OH TYR A 30 -1.932 3.806 9.491 1.00 0.00 O ATOM 0 H TYR A 30 0.671 8.047 5.685 1.00 0.00 H new ATOM 0 HA TYR A 30 2.369 5.636 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.213 6.342 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.657 4.830 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.552 6.823 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.666 3.150 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.537 6.073 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.379 2.356 7.915 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.594 2.911 9.703 1.00 0.00 H new ATOM 444 N LEU A 31 2.806 8.077 3.687 1.00 0.00 N ATOM 445 CA LEU A 31 3.600 8.576 2.564 1.00 0.00 C ATOM 446 C LEU A 31 5.089 8.521 2.883 1.00 0.00 C ATOM 447 O LEU A 31 5.902 8.558 1.956 1.00 0.00 O ATOM 448 CB LEU A 31 3.238 10.036 2.239 1.00 0.00 C ATOM 449 CG LEU A 31 1.996 10.264 1.366 1.00 0.00 C ATOM 450 CD1 LEU A 31 2.179 9.776 -0.074 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.722 9.630 1.916 1.00 0.00 C ATOM 0 H LEU A 31 2.499 8.804 4.334 1.00 0.00 H new ATOM 0 HA LEU A 31 3.377 7.938 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.094 10.568 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.092 10.495 1.741 1.00 0.00 H new ATOM 0 HG LEU A 31 1.881 11.348 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.267 9.965 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.010 10.309 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.390 8.707 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.108 9.837 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.860 8.552 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.503 10.047 2.899 1.00 0.00 H new ATOM 463 N THR A 32 5.461 8.525 4.166 1.00 0.00 N ATOM 464 CA THR A 32 6.867 8.469 4.558 1.00 0.00 C ATOM 465 C THR A 32 7.475 7.169 3.998 1.00 0.00 C ATOM 466 O THR A 32 6.842 6.111 4.039 1.00 0.00 O ATOM 467 CB THR A 32 7.063 8.651 6.088 1.00 0.00 C ATOM 468 OG1 THR A 32 8.340 8.246 6.560 1.00 0.00 O ATOM 469 CG2 THR A 32 6.049 7.878 6.904 1.00 0.00 C ATOM 0 H THR A 32 4.807 8.566 4.948 1.00 0.00 H new ATOM 0 HA THR A 32 7.407 9.311 4.126 1.00 0.00 H new ATOM 0 HB THR A 32 6.942 9.726 6.222 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.259 7.914 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.234 8.043 7.965 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.044 8.219 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.137 6.815 6.681 1.00 0.00 H new ATOM 477 N PRO A 33 8.750 7.206 3.573 1.00 0.00 N ATOM 478 CA PRO A 33 9.459 6.076 2.988 1.00 0.00 C ATOM 479 C PRO A 33 9.677 4.920 3.972 1.00 0.00 C ATOM 480 O PRO A 33 10.184 3.863 3.591 1.00 0.00 O ATOM 481 CB PRO A 33 10.777 6.654 2.479 1.00 0.00 C ATOM 482 CG PRO A 33 11.022 7.863 3.371 1.00 0.00 C ATOM 483 CD PRO A 33 9.607 8.376 3.601 1.00 0.00 C ATOM 0 HA PRO A 33 8.874 5.624 2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.587 5.929 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.708 6.940 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.514 7.589 4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.652 8.608 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.530 8.894 4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.320 9.089 2.828 1.00 0.00 H new ATOM 491 N GLU A 34 9.299 5.098 5.233 1.00 0.00 N ATOM 492 CA GLU A 34 9.262 4.101 6.289 1.00 0.00 C ATOM 493 C GLU A 34 8.367 2.903 5.957 1.00 0.00 C ATOM 494 O GLU A 34 8.542 1.844 6.563 1.00 0.00 O ATOM 495 CB GLU A 34 8.792 4.810 7.562 1.00 0.00 C ATOM 496 CG GLU A 34 9.969 5.629 8.115 1.00 0.00 C ATOM 497 CD GLU A 34 9.570 6.526 9.281 1.00 0.00 C ATOM 498 OE1 GLU A 34 8.648 7.357 9.110 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.193 6.420 10.360 1.00 0.00 O ATOM 0 H GLU A 34 8.988 6.011 5.565 1.00 0.00 H new ATOM 0 HA GLU A 34 10.258 3.678 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.945 5.460 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.454 4.083 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.758 4.950 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.385 6.243 7.316 1.00 0.00 H new ATOM 506 N TYR A 35 7.472 3.002 4.972 1.00 0.00 N ATOM 507 CA TYR A 35 6.517 1.941 4.650 1.00 0.00 C ATOM 508 C TYR A 35 6.686 1.475 3.207 1.00 0.00 C ATOM 509 O TYR A 35 5.975 0.577 2.775 1.00 0.00 O ATOM 510 CB TYR A 35 5.086 2.429 4.930 1.00 0.00 C ATOM 511 CG TYR A 35 4.851 2.816 6.377 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.188 4.108 6.816 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.331 1.884 7.294 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.049 4.461 8.167 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.170 2.235 8.646 1.00 0.00 C ATOM 516 CZ TYR A 35 4.545 3.523 9.093 1.00 0.00 C ATOM 517 OH TYR A 35 4.387 3.888 10.396 1.00 0.00 O ATOM 0 H TYR A 35 7.389 3.824 4.373 1.00 0.00 H new ATOM 0 HA TYR A 35 6.713 1.078 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.872 3.288 4.293 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.382 1.644 4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.557 4.835 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.055 0.895 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.328 5.450 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.760 1.520 9.344 1.00 0.00 H new ATOM 0 HH TYR A 35 4.030 3.132 10.907 1.00 0.00 H new ATOM 527 N ASN A 36 7.600 2.081 2.450 1.00 0.00 N ATOM 528 CA ASN A 36 7.673 2.025 1.007 1.00 0.00 C ATOM 529 C ASN A 36 8.247 0.710 0.504 1.00 0.00 C ATOM 530 O ASN A 36 9.469 0.547 0.420 1.00 0.00 O ATOM 531 CB ASN A 36 8.484 3.236 0.533 1.00 0.00 C ATOM 532 CG ASN A 36 7.560 4.418 0.319 1.00 0.00 C ATOM 533 OD1 ASN A 36 6.623 4.606 1.071 1.00 0.00 O ATOM 534 ND2 ASN A 36 7.757 5.185 -0.732 1.00 0.00 N ATOM 0 H ASN A 36 8.343 2.650 2.856 1.00 0.00 H new ATOM 0 HA ASN A 36 6.668 2.067 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.246 3.487 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.005 2.997 -0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.117 5.955 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.549 5.010 -1.350 1.00 0.00 H new ATOM 541 N ILE A 37 7.366 -0.216 0.129 1.00 0.00 N ATOM 542 CA ILE A 37 7.695 -1.510 -0.452 1.00 0.00 C ATOM 543 C ILE A 37 7.962 -1.298 -1.939 1.00 0.00 C ATOM 544 O ILE A 37 7.090 -1.490 -2.793 1.00 0.00 O ATOM 545 CB ILE A 37 6.580 -2.542 -0.186 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.253 -2.592 1.320 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.034 -3.928 -0.691 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.977 -3.353 1.626 1.00 0.00 C ATOM 0 H ILE A 37 6.361 -0.076 0.227 1.00 0.00 H new ATOM 0 HA ILE A 37 8.589 -1.924 0.014 1.00 0.00 H new ATOM 0 HB ILE A 37 5.677 -2.249 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.083 -3.058 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.162 -1.574 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.247 -4.659 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.235 -3.877 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.940 -4.228 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.802 -3.352 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.138 -2.874 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.073 -4.380 1.275 1.00 0.00 H new ATOM 560 N LYS A 38 9.182 -0.879 -2.267 1.00 0.00 N ATOM 561 CA LYS A 38 9.576 -0.719 -3.669 1.00 0.00 C ATOM 562 C LYS A 38 9.680 -2.077 -4.357 1.00 0.00 C ATOM 563 O LYS A 38 9.375 -2.148 -5.545 1.00 0.00 O ATOM 564 CB LYS A 38 10.889 0.055 -3.801 1.00 0.00 C ATOM 565 CG LYS A 38 10.766 1.552 -3.486 1.00 0.00 C ATOM 566 CD LYS A 38 10.039 2.420 -4.525 1.00 0.00 C ATOM 567 CE LYS A 38 10.403 3.875 -4.203 1.00 0.00 C ATOM 568 NZ LYS A 38 9.737 4.898 -5.031 1.00 0.00 N ATOM 0 H LYS A 38 9.909 -0.646 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 38 8.800 -0.136 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.628 -0.387 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.267 -0.062 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.248 1.657 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.770 1.954 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.349 2.157 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.961 2.268 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.163 4.068 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.481 3.993 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.051 5.844 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.983 4.750 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.706 4.822 -4.914 1.00 0.00 H new ATOM 582 N GLN A 39 10.041 -3.142 -3.630 1.00 0.00 N ATOM 583 CA GLN A 39 10.254 -4.505 -4.128 1.00 0.00 C ATOM 584 C GLN A 39 8.953 -5.226 -4.541 1.00 0.00 C ATOM 585 O GLN A 39 8.811 -6.433 -4.330 1.00 0.00 O ATOM 586 CB GLN A 39 11.031 -5.346 -3.089 1.00 0.00 C ATOM 587 CG GLN A 39 12.447 -4.847 -2.762 1.00 0.00 C ATOM 588 CD GLN A 39 12.441 -3.720 -1.741 1.00 0.00 C ATOM 589 OE1 GLN A 39 12.658 -2.559 -2.074 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.196 -4.010 -0.480 1.00 0.00 N ATOM 0 H GLN A 39 10.201 -3.071 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 39 10.847 -4.405 -5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.453 -5.376 -2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.101 -6.370 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.043 -5.676 -2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.929 -4.503 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.016 -4.975 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.186 -3.269 0.221 1.00 0.00 H new ATOM 599 N TRP A 40 7.976 -4.521 -5.121 1.00 0.00 N ATOM 600 CA TRP A 40 6.725 -5.130 -5.557 1.00 0.00 C ATOM 601 C TRP A 40 6.979 -6.278 -6.540 1.00 0.00 C ATOM 602 O TRP A 40 6.276 -7.278 -6.475 1.00 0.00 O ATOM 603 CB TRP A 40 5.775 -4.070 -6.136 1.00 0.00 C ATOM 604 CG TRP A 40 6.210 -3.340 -7.372 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.754 -2.102 -7.401 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.089 -3.752 -8.770 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.001 -1.735 -8.708 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.590 -2.703 -9.595 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.593 -4.895 -9.431 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.576 -2.770 -10.997 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.610 -4.992 -10.835 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.095 -3.932 -11.620 1.00 0.00 C ATOM 0 H TRP A 40 8.034 -3.518 -5.299 1.00 0.00 H new ATOM 0 HA TRP A 40 6.234 -5.564 -4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.823 -4.556 -6.352 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.586 -3.329 -5.359 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.963 -1.494 -6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.435 -0.854 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.192 -5.712 -8.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.931 -1.939 -11.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.247 -5.889 -11.314 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.098 -4.011 -12.697 1.00 0.00 H new ATOM 623 N GLN A 41 8.012 -6.155 -7.378 1.00 0.00 N ATOM 624 CA GLN A 41 8.334 -7.068 -8.466 1.00 0.00 C ATOM 625 C GLN A 41 8.695 -8.477 -7.981 1.00 0.00 C ATOM 626 O GLN A 41 8.334 -9.445 -8.642 1.00 0.00 O ATOM 627 CB GLN A 41 9.476 -6.427 -9.269 1.00 0.00 C ATOM 628 CG GLN A 41 9.789 -7.106 -10.611 1.00 0.00 C ATOM 629 CD GLN A 41 10.956 -8.086 -10.549 1.00 0.00 C ATOM 630 OE1 GLN A 41 12.117 -7.690 -10.696 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.687 -9.359 -10.338 1.00 0.00 N ATOM 0 H GLN A 41 8.673 -5.381 -7.309 1.00 0.00 H new ATOM 0 HA GLN A 41 7.455 -7.213 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.226 -5.383 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.378 -6.433 -8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.901 -7.635 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.010 -6.339 -11.353 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.721 -9.663 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.445 -10.040 -10.293 1.00 0.00 H new ATOM 640 N GLN A 42 9.435 -8.622 -6.874 1.00 0.00 N ATOM 641 CA GLN A 42 9.712 -9.942 -6.299 1.00 0.00 C ATOM 642 C GLN A 42 8.512 -10.441 -5.490 1.00 0.00 C ATOM 643 O GLN A 42 8.333 -11.646 -5.298 1.00 0.00 O ATOM 644 CB GLN A 42 10.965 -9.878 -5.408 1.00 0.00 C ATOM 645 CG GLN A 42 12.109 -10.775 -5.900 1.00 0.00 C ATOM 646 CD GLN A 42 12.022 -12.219 -5.391 1.00 0.00 C ATOM 647 OE1 GLN A 42 12.749 -12.617 -4.478 1.00 0.00 O ATOM 648 NE2 GLN A 42 11.168 -13.053 -5.958 1.00 0.00 N ATOM 0 H GLN A 42 9.850 -7.844 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 42 9.893 -10.643 -7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.316 -8.847 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.695 -10.170 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.110 -10.783 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.059 -10.344 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.564 -12.729 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.113 -14.021 -5.640 1.00 0.00 H new ATOM 657 N ARG A 43 7.685 -9.522 -4.996 1.00 0.00 N ATOM 658 CA ARG A 43 6.458 -9.841 -4.290 1.00 0.00 C ATOM 659 C ARG A 43 5.358 -10.177 -5.297 1.00 0.00 C ATOM 660 O ARG A 43 5.598 -10.291 -6.496 1.00 0.00 O ATOM 661 CB ARG A 43 6.143 -8.683 -3.329 1.00 0.00 C ATOM 662 CG ARG A 43 7.028 -8.772 -2.068 1.00 0.00 C ATOM 663 CD ARG A 43 6.612 -9.905 -1.115 1.00 0.00 C ATOM 664 NE ARG A 43 5.244 -9.680 -0.636 1.00 0.00 N ATOM 665 CZ ARG A 43 4.124 -10.334 -0.945 1.00 0.00 C ATOM 666 NH1 ARG A 43 4.120 -11.477 -1.628 1.00 0.00 N ATOM 667 NH2 ARG A 43 2.968 -9.809 -0.564 1.00 0.00 N ATOM 0 H ARG A 43 7.857 -8.520 -5.079 1.00 0.00 H new ATOM 0 HA ARG A 43 6.552 -10.735 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.310 -7.730 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.091 -8.714 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.065 -8.922 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.985 -7.823 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.673 -10.864 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.299 -9.951 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 43 5.134 -8.914 0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.000 -11.889 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.237 -11.941 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.953 -8.928 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.094 -10.286 -0.785 1.00 0.00 H new ATOM 681 N ASN A 44 4.155 -10.440 -4.788 1.00 0.00 N ATOM 682 CA ASN A 44 3.018 -10.836 -5.617 1.00 0.00 C ATOM 683 C ASN A 44 2.338 -9.622 -6.251 1.00 0.00 C ATOM 684 O ASN A 44 1.535 -9.779 -7.166 1.00 0.00 O ATOM 685 CB ASN A 44 1.976 -11.571 -4.757 1.00 0.00 C ATOM 686 CG ASN A 44 2.182 -13.077 -4.676 1.00 0.00 C ATOM 687 OD1 ASN A 44 1.298 -13.833 -5.046 1.00 0.00 O ATOM 688 ND2 ASN A 44 3.300 -13.550 -4.154 1.00 0.00 N ATOM 0 H ASN A 44 3.942 -10.385 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 44 3.399 -11.486 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.998 -11.158 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.983 -11.373 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.431 -14.557 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.032 -12.908 -3.848 1.00 0.00 H new ATOM 695 N LEU A 45 2.542 -8.417 -5.714 1.00 0.00 N ATOM 696 CA LEU A 45 1.636 -7.316 -6.000 1.00 0.00 C ATOM 697 C LEU A 45 1.879 -6.749 -7.408 1.00 0.00 C ATOM 698 O LEU A 45 3.035 -6.631 -7.812 1.00 0.00 O ATOM 699 CB LEU A 45 1.810 -6.205 -4.956 1.00 0.00 C ATOM 700 CG LEU A 45 1.359 -6.514 -3.512 1.00 0.00 C ATOM 701 CD1 LEU A 45 -0.001 -7.199 -3.461 1.00 0.00 C ATOM 702 CD2 LEU A 45 2.358 -7.338 -2.693 1.00 0.00 C ATOM 0 H LEU A 45 3.315 -8.186 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 45 0.616 -7.699 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.864 -5.930 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.261 -5.329 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 45 1.295 -5.528 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.271 -7.394 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.751 -6.552 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.045 -8.141 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.958 -7.506 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.526 -8.297 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.302 -6.797 -2.620 1.00 0.00 H new ATOM 714 N PRO A 46 0.820 -6.308 -8.113 1.00 0.00 N ATOM 715 CA PRO A 46 0.914 -5.771 -9.472 1.00 0.00 C ATOM 716 C PRO A 46 1.687 -4.462 -9.558 1.00 0.00 C ATOM 717 O PRO A 46 1.805 -3.723 -8.572 1.00 0.00 O ATOM 718 CB PRO A 46 -0.522 -5.507 -9.931 1.00 0.00 C ATOM 719 CG PRO A 46 -1.324 -5.497 -8.645 1.00 0.00 C ATOM 720 CD PRO A 46 -0.571 -6.416 -7.706 1.00 0.00 C ATOM 0 HA PRO A 46 1.449 -6.491 -10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.604 -4.557 -10.459 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.872 -6.282 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.400 -4.490 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.341 -5.851 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.703 -6.114 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.928 -7.443 -7.787 1.00 0.00 H new ATOM 728 N ALA A 47 2.080 -4.096 -10.780 1.00 0.00 N ATOM 729 CA ALA A 47 2.824 -2.867 -11.004 1.00 0.00 C ATOM 730 C ALA A 47 1.966 -1.668 -10.600 1.00 0.00 C ATOM 731 O ALA A 47 0.772 -1.649 -10.924 1.00 0.00 O ATOM 732 CB ALA A 47 3.163 -2.728 -12.489 1.00 0.00 C ATOM 0 H ALA A 47 1.893 -4.636 -11.625 1.00 0.00 H new ATOM 0 HA ALA A 47 3.738 -2.899 -10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.720 -1.805 -12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.768 -3.578 -12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.242 -2.702 -13.072 1.00 0.00 H new ATOM 738 N PRO A 48 2.561 -0.628 -10.000 1.00 0.00 N ATOM 739 CA PRO A 48 1.844 0.565 -9.578 1.00 0.00 C ATOM 740 C PRO A 48 1.479 1.432 -10.789 1.00 0.00 C ATOM 741 O PRO A 48 1.868 1.156 -11.925 1.00 0.00 O ATOM 742 CB PRO A 48 2.791 1.260 -8.593 1.00 0.00 C ATOM 743 CG PRO A 48 4.176 0.833 -9.057 1.00 0.00 C ATOM 744 CD PRO A 48 3.945 -0.582 -9.560 1.00 0.00 C ATOM 0 HA PRO A 48 0.889 0.348 -9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.675 2.343 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.599 0.948 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.557 1.484 -9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.901 0.859 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.623 -0.821 -10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.128 -1.312 -8.771 1.00 0.00 H new ATOM 752 N ASP A 49 0.686 2.478 -10.575 1.00 0.00 N ATOM 753 CA ASP A 49 0.455 3.513 -11.579 1.00 0.00 C ATOM 754 C ASP A 49 1.624 4.490 -11.573 1.00 0.00 C ATOM 755 O ASP A 49 2.434 4.523 -10.643 1.00 0.00 O ATOM 756 CB ASP A 49 -0.853 4.271 -11.319 1.00 0.00 C ATOM 757 CG ASP A 49 -2.027 3.576 -11.986 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.409 2.471 -11.547 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.518 4.107 -13.011 1.00 0.00 O ATOM 0 H ASP A 49 0.185 2.632 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 49 0.373 3.030 -12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.029 4.341 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.768 5.290 -11.695 1.00 0.00 H new ATOM 764 N ALA A 50 1.662 5.328 -12.606 1.00 0.00 N ATOM 765 CA ALA A 50 2.757 6.190 -13.021 1.00 0.00 C ATOM 766 C ALA A 50 2.992 7.428 -12.140 1.00 0.00 C ATOM 767 O ALA A 50 3.421 8.478 -12.618 1.00 0.00 O ATOM 768 CB ALA A 50 2.447 6.584 -14.463 1.00 0.00 C ATOM 0 H ALA A 50 0.857 5.427 -13.224 1.00 0.00 H new ATOM 0 HA ALA A 50 3.694 5.642 -12.921 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.235 7.236 -14.839 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.391 5.688 -15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.493 7.110 -14.499 1.00 0.00 H new ATOM 774 N GLY A 51 2.770 7.285 -10.845 1.00 0.00 N ATOM 775 CA GLY A 51 3.054 8.266 -9.809 1.00 0.00 C ATOM 776 C GLY A 51 2.657 7.722 -8.443 1.00 0.00 C ATOM 777 O GLY A 51 2.154 8.472 -7.605 1.00 0.00 O ATOM 0 H GLY A 51 2.363 6.431 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.115 8.514 -9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.510 9.188 -10.013 1.00 0.00 H new ATOM 781 N SER A 52 2.783 6.410 -8.227 1.00 0.00 N ATOM 782 CA SER A 52 2.266 5.738 -7.045 1.00 0.00 C ATOM 783 C SER A 52 3.197 4.616 -6.612 1.00 0.00 C ATOM 784 O SER A 52 4.072 4.210 -7.380 1.00 0.00 O ATOM 785 CB SER A 52 0.851 5.231 -7.350 1.00 0.00 C ATOM 786 OG SER A 52 0.835 4.316 -8.420 1.00 0.00 O ATOM 0 H SER A 52 3.253 5.782 -8.879 1.00 0.00 H new ATOM 0 HA SER A 52 2.214 6.435 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.437 4.755 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.207 6.077 -7.588 1.00 0.00 H new ATOM 0 HG SER A 52 1.486 4.594 -9.098 1.00 0.00 H new ATOM 792 N HIS A 53 3.004 4.106 -5.398 1.00 0.00 N ATOM 793 CA HIS A 53 3.854 3.073 -4.849 1.00 0.00 C ATOM 794 C HIS A 53 3.127 2.268 -3.780 1.00 0.00 C ATOM 795 O HIS A 53 2.169 2.741 -3.163 1.00 0.00 O ATOM 796 CB HIS A 53 5.093 3.724 -4.248 1.00 0.00 C ATOM 797 CG HIS A 53 4.803 4.714 -3.146 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.463 6.032 -3.336 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.868 4.500 -1.795 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.309 6.600 -2.131 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.581 5.713 -1.170 1.00 0.00 N ATOM 0 H HIS A 53 2.253 4.402 -4.774 1.00 0.00 H new ATOM 0 HA HIS A 53 4.135 2.388 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.745 2.943 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.643 4.231 -5.041 1.00 0.00 H new ATOM 0 HD1 HIS A 53 4.348 6.497 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.099 3.566 -1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.009 7.624 -1.962 1.00 0.00 H new ATOM 809 N TRP A 54 3.600 1.042 -3.574 1.00 0.00 N ATOM 810 CA TRP A 54 3.076 0.156 -2.558 1.00 0.00 C ATOM 811 C TRP A 54 3.673 0.498 -1.197 1.00 0.00 C ATOM 812 O TRP A 54 4.867 0.818 -1.097 1.00 0.00 O ATOM 813 CB TRP A 54 3.369 -1.294 -2.937 1.00 0.00 C ATOM 814 CG TRP A 54 2.540 -1.809 -4.075 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.914 -1.903 -5.374 1.00 0.00 C ATOM 816 CD2 TRP A 54 1.164 -2.287 -4.016 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.867 -2.426 -6.111 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.746 -2.624 -5.333 1.00 0.00 C ATOM 819 CE3 TRP A 54 0.223 -2.455 -2.979 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.556 -3.062 -5.611 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.096 -2.866 -3.245 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.491 -3.145 -4.565 1.00 0.00 C ATOM 0 H TRP A 54 4.364 0.639 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 54 1.996 0.285 -2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.423 -1.384 -3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.203 -1.927 -2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.876 -1.615 -5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.918 -2.639 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.521 -2.264 -1.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.838 -3.333 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.804 -2.967 -2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.513 -3.423 -4.775 1.00 0.00 H new ATOM 833 N THR A 55 2.856 0.365 -0.156 1.00 0.00 N ATOM 834 CA THR A 55 3.213 0.520 1.241 1.00 0.00 C ATOM 835 C THR A 55 2.536 -0.567 2.080 1.00 0.00 C ATOM 836 O THR A 55 1.804 -1.413 1.551 1.00 0.00 O ATOM 837 CB THR A 55 2.880 1.943 1.742 1.00 0.00 C ATOM 838 OG1 THR A 55 1.499 2.204 1.739 1.00 0.00 O ATOM 839 CG2 THR A 55 3.498 3.013 0.863 1.00 0.00 C ATOM 0 H THR A 55 1.870 0.132 -0.278 1.00 0.00 H new ATOM 0 HA THR A 55 4.290 0.396 1.349 1.00 0.00 H new ATOM 0 HB THR A 55 3.282 1.976 2.755 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.337 3.114 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.239 3.998 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.582 2.899 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.118 2.913 -0.154 1.00 0.00 H new ATOM 847 N TYR A 56 2.786 -0.550 3.388 1.00 0.00 N ATOM 848 CA TYR A 56 2.114 -1.362 4.390 1.00 0.00 C ATOM 849 C TYR A 56 1.193 -0.441 5.200 1.00 0.00 C ATOM 850 O TYR A 56 1.558 0.711 5.450 1.00 0.00 O ATOM 851 CB TYR A 56 3.198 -1.993 5.276 1.00 0.00 C ATOM 852 CG TYR A 56 2.792 -3.234 6.043 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.616 -4.449 5.358 1.00 0.00 C ATOM 854 CD2 TYR A 56 2.679 -3.202 7.443 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.376 -5.644 6.060 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.453 -4.392 8.158 1.00 0.00 C ATOM 857 CZ TYR A 56 2.343 -5.622 7.472 1.00 0.00 C ATOM 858 OH TYR A 56 2.188 -6.771 8.189 1.00 0.00 O ATOM 0 H TYR A 56 3.496 0.060 3.793 1.00 0.00 H new ATOM 0 HA TYR A 56 1.512 -2.156 3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.053 -2.242 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.536 -1.243 5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.666 -4.465 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.766 -2.263 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.219 -6.569 5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.363 -4.365 9.234 1.00 0.00 H new ATOM 0 HH TYR A 56 2.190 -6.562 9.146 1.00 0.00 H new ATOM 868 N MET A 57 0.036 -0.937 5.643 1.00 0.00 N ATOM 869 CA MET A 57 -0.818 -0.301 6.652 1.00 0.00 C ATOM 870 C MET A 57 -1.502 -1.413 7.423 1.00 0.00 C ATOM 871 O MET A 57 -1.841 -2.415 6.807 1.00 0.00 O ATOM 872 CB MET A 57 -1.887 0.620 6.018 1.00 0.00 C ATOM 873 CG MET A 57 -2.896 -0.074 5.089 1.00 0.00 C ATOM 874 SD MET A 57 -4.245 -1.033 5.851 1.00 0.00 S ATOM 875 CE MET A 57 -5.131 -1.613 4.379 1.00 0.00 C ATOM 0 H MET A 57 -0.345 -1.819 5.300 1.00 0.00 H new ATOM 0 HA MET A 57 -0.204 0.326 7.298 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.438 1.113 6.819 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.379 1.402 5.453 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.347 0.690 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.340 -0.744 4.433 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.986 -2.216 4.683 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.479 -0.756 3.802 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.462 -2.216 3.765 1.00 0.00 H new ATOM 885 N GLY A 58 -1.780 -1.241 8.715 1.00 0.00 N ATOM 886 CA GLY A 58 -2.609 -2.134 9.527 1.00 0.00 C ATOM 887 C GLY A 58 -2.233 -3.637 9.552 1.00 0.00 C ATOM 888 O GLY A 58 -2.842 -4.378 10.324 1.00 0.00 O ATOM 0 H GLY A 58 -1.421 -0.447 9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.593 -1.767 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.637 -2.051 9.175 1.00 0.00 H new ATOM 892 N GLY A 59 -1.249 -4.117 8.783 1.00 0.00 N ATOM 893 CA GLY A 59 -0.952 -5.524 8.511 1.00 0.00 C ATOM 894 C GLY A 59 -1.138 -5.924 7.035 1.00 0.00 C ATOM 895 O GLY A 59 -0.728 -7.010 6.627 1.00 0.00 O ATOM 0 H GLY A 59 -0.599 -3.492 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.076 -5.733 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.596 -6.148 9.131 1.00 0.00 H new ATOM 899 N ASN A 60 -1.740 -5.055 6.228 1.00 0.00 N ATOM 900 CA ASN A 60 -2.097 -5.216 4.823 1.00 0.00 C ATOM 901 C ASN A 60 -1.101 -4.459 3.932 1.00 0.00 C ATOM 902 O ASN A 60 -0.304 -3.654 4.417 1.00 0.00 O ATOM 903 CB ASN A 60 -3.475 -4.576 4.607 1.00 0.00 C ATOM 904 CG ASN A 60 -4.574 -5.090 5.526 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.983 -6.235 5.409 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.077 -4.259 6.430 1.00 0.00 N ATOM 0 H ASN A 60 -2.015 -4.136 6.574 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.092 -6.276 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.384 -3.498 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.779 -4.743 3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.825 -4.571 7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.716 -3.308 6.505 1.00 0.00 H new ATOM 913 N TYR A 61 -1.214 -4.628 2.611 1.00 0.00 N ATOM 914 CA TYR A 61 -0.410 -3.938 1.604 1.00 0.00 C ATOM 915 C TYR A 61 -1.305 -2.985 0.810 1.00 0.00 C ATOM 916 O TYR A 61 -2.384 -3.395 0.374 1.00 0.00 O ATOM 917 CB TYR A 61 0.203 -4.980 0.659 1.00 0.00 C ATOM 918 CG TYR A 61 1.115 -5.990 1.329 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.342 -5.567 1.861 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.748 -7.343 1.427 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.217 -6.490 2.455 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.626 -8.282 2.002 1.00 0.00 C ATOM 923 CZ TYR A 61 2.868 -7.854 2.520 1.00 0.00 C ATOM 924 OH TYR A 61 3.750 -8.756 3.020 1.00 0.00 O ATOM 0 H TYR A 61 -1.892 -5.271 2.202 1.00 0.00 H new ATOM 0 HA TYR A 61 0.384 -3.368 2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.604 -5.516 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.767 -4.460 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.616 -4.523 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.215 -7.665 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.159 -6.154 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.351 -9.325 2.047 1.00 0.00 H new ATOM 0 HH TYR A 61 3.357 -9.200 3.800 1.00 0.00 H new ATOM 934 N VAL A 62 -0.886 -1.738 0.556 1.00 0.00 N ATOM 935 CA VAL A 62 -1.748 -0.765 -0.115 1.00 0.00 C ATOM 936 C VAL A 62 -0.975 0.012 -1.166 1.00 0.00 C ATOM 937 O VAL A 62 0.242 0.134 -1.068 1.00 0.00 O ATOM 938 CB VAL A 62 -2.406 0.157 0.923 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.320 -0.640 1.841 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.418 0.964 1.767 1.00 0.00 C ATOM 0 H VAL A 62 0.038 -1.384 0.804 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.543 -1.295 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.979 0.879 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.777 0.029 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.100 -1.121 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.739 -1.401 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.967 1.587 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.766 0.283 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.816 1.597 1.116 1.00 0.00 H new ATOM 950 N LEU A 63 -1.672 0.517 -2.183 1.00 0.00 N ATOM 951 CA LEU A 63 -1.088 1.294 -3.278 1.00 0.00 C ATOM 952 C LEU A 63 -1.615 2.719 -3.211 1.00 0.00 C ATOM 953 O LEU A 63 -2.829 2.923 -3.297 1.00 0.00 O ATOM 954 CB LEU A 63 -1.427 0.646 -4.625 1.00 0.00 C ATOM 955 CG LEU A 63 -0.958 1.468 -5.843 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.558 1.645 -5.894 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.434 0.780 -7.123 1.00 0.00 C ATOM 0 H LEU A 63 -2.681 0.395 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.003 1.312 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.971 -0.343 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.506 0.502 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.391 2.464 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.826 2.231 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.894 2.163 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.037 0.667 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.106 1.355 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.013 -0.224 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.522 0.718 -7.120 1.00 0.00 H new ATOM 969 N ILE A 64 -0.721 3.691 -3.059 1.00 0.00 N ATOM 970 CA ILE A 64 -1.050 5.098 -2.842 1.00 0.00 C ATOM 971 C ILE A 64 -0.302 5.960 -3.861 1.00 0.00 C ATOM 972 O ILE A 64 0.789 5.581 -4.294 1.00 0.00 O ATOM 973 CB ILE A 64 -0.688 5.483 -1.392 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.796 5.212 -1.055 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.615 4.758 -0.403 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.240 5.941 0.208 1.00 0.00 C ATOM 0 H ILE A 64 0.284 3.517 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.118 5.267 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.835 6.559 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.948 4.140 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.420 5.525 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.350 5.038 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.649 5.041 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.504 3.680 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.289 5.721 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.114 7.015 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.635 5.609 1.052 1.00 0.00 H new ATOM 988 N THR A 65 -0.849 7.109 -4.263 1.00 0.00 N ATOM 989 CA THR A 65 -0.109 8.039 -5.111 1.00 0.00 C ATOM 990 C THR A 65 0.888 8.822 -4.260 1.00 0.00 C ATOM 991 O THR A 65 0.569 9.251 -3.158 1.00 0.00 O ATOM 992 CB THR A 65 -1.048 8.953 -5.917 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.277 9.195 -5.271 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.345 8.309 -7.270 1.00 0.00 C ATOM 0 H THR A 65 -1.791 7.413 -4.017 1.00 0.00 H new ATOM 0 HA THR A 65 0.452 7.471 -5.853 1.00 0.00 H new ATOM 0 HB THR A 65 -0.532 9.907 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.889 9.645 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.010 8.955 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.414 8.170 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.823 7.342 -7.115 1.00 0.00 H new ATOM 1002 N ASP A 66 2.085 9.060 -4.790 1.00 0.00 N ATOM 1003 CA ASP A 66 3.144 9.827 -4.131 1.00 0.00 C ATOM 1004 C ASP A 66 2.767 11.302 -3.940 1.00 0.00 C ATOM 1005 O ASP A 66 3.414 12.017 -3.180 1.00 0.00 O ATOM 1006 CB ASP A 66 4.421 9.739 -4.986 1.00 0.00 C ATOM 1007 CG ASP A 66 5.437 8.732 -4.459 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.945 8.871 -3.324 1.00 0.00 O ATOM 1009 OD2 ASP A 66 5.717 7.751 -5.185 1.00 0.00 O ATOM 0 H ASP A 66 2.354 8.717 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 66 3.301 9.399 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.148 9.468 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.887 10.723 -5.032 1.00 0.00 H new ATOM 1014 N THR A 67 1.726 11.771 -4.626 1.00 0.00 N ATOM 1015 CA THR A 67 1.429 13.178 -4.867 1.00 0.00 C ATOM 1016 C THR A 67 0.065 13.565 -4.274 1.00 0.00 C ATOM 1017 O THR A 67 -0.414 14.688 -4.447 1.00 0.00 O ATOM 1018 CB THR A 67 1.546 13.371 -6.393 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.543 14.730 -6.765 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.531 12.564 -7.221 1.00 0.00 C ATOM 0 H THR A 67 1.036 11.150 -5.048 1.00 0.00 H new ATOM 0 HA THR A 67 2.125 13.851 -4.366 1.00 0.00 H new ATOM 0 HB THR A 67 2.522 12.954 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.931 15.227 -6.183 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.687 12.762 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.667 11.500 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.481 12.858 -6.943 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.601 12.622 -3.606 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.991 12.743 -3.199 1.00 0.00 C ATOM 1030 C GLU A 68 -2.289 11.697 -2.128 1.00 0.00 C ATOM 1031 O GLU A 68 -2.870 12.025 -1.101 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.841 12.550 -4.466 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.353 12.697 -4.298 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.992 12.968 -5.665 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.787 14.092 -6.185 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.637 12.078 -6.267 1.00 0.00 O ATOM 0 H GLU A 68 -0.176 11.737 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.218 13.715 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.509 13.270 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.637 11.557 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.772 11.790 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.576 13.514 -3.611 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.851 10.453 -2.342 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.100 9.337 -1.447 1.00 0.00 C ATOM 1045 C GLY A 69 -3.439 8.658 -1.719 1.00 0.00 C ATOM 1046 O GLY A 69 -4.000 8.021 -0.826 1.00 0.00 O ATOM 0 H GLY A 69 -1.302 10.196 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.298 8.606 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.078 9.690 -0.416 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.989 8.821 -2.926 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.278 8.259 -3.307 1.00 0.00 C ATOM 1052 C LYS A 70 -5.173 6.741 -3.265 1.00 0.00 C ATOM 1053 O LYS A 70 -4.226 6.168 -3.801 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.704 8.805 -4.684 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.085 9.476 -4.632 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.230 8.478 -4.794 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.279 7.841 -6.189 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.642 8.798 -7.256 1.00 0.00 N ATOM 0 H LYS A 70 -3.542 9.354 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.061 8.556 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.964 9.524 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.723 7.990 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.195 9.999 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.149 10.228 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.128 7.692 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.176 8.984 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.306 7.406 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.000 7.024 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.708 8.296 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.560 9.234 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.914 9.538 -7.321 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.128 6.105 -2.599 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.177 4.679 -2.342 1.00 0.00 C ATOM 1074 C ILE A 71 -6.556 4.010 -3.653 1.00 0.00 C ATOM 1075 O ILE A 71 -7.732 3.978 -4.033 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.124 4.396 -1.148 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.489 5.048 0.104 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.393 2.898 -0.909 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.231 4.795 1.409 1.00 0.00 C ATOM 0 H ILE A 71 -6.929 6.599 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.220 4.261 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.102 4.822 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.468 4.681 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.426 6.124 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.063 2.780 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.854 2.465 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.452 2.388 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.709 5.292 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.245 5.188 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.271 3.723 1.603 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.538 3.556 -4.385 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.693 2.921 -5.682 1.00 0.00 C ATOM 1093 C LEU A 72 -6.102 1.464 -5.492 1.00 0.00 C ATOM 1094 O LEU A 72 -7.100 1.035 -6.066 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.405 3.036 -6.517 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.919 4.471 -6.821 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.812 4.446 -7.883 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.057 5.387 -7.299 1.00 0.00 C ATOM 0 H LEU A 72 -4.566 3.624 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.478 3.437 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.608 2.507 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.562 2.519 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.532 4.876 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.480 5.464 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.971 3.856 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.197 4.000 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.663 6.383 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.493 4.980 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.823 5.448 -6.526 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.356 0.692 -4.695 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.664 -0.706 -4.397 1.00 0.00 C ATOM 1112 C LYS A 73 -5.276 -1.019 -2.964 1.00 0.00 C ATOM 1113 O LYS A 73 -4.402 -0.357 -2.404 1.00 0.00 O ATOM 1114 CB LYS A 73 -4.902 -1.654 -5.336 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.576 -1.808 -6.705 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.831 -2.840 -7.560 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.475 -2.320 -8.055 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.600 -1.294 -9.107 1.00 0.00 N ATOM 0 H LYS A 73 -4.510 1.027 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.734 -0.854 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.888 -1.280 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.819 -2.634 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.613 -2.117 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.593 -0.847 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.678 -3.748 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.448 -3.111 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.923 -1.903 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.890 -3.156 -8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.654 -1.030 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.160 -1.673 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.074 -0.454 -8.718 1.00 0.00 H new ATOM 1132 N VAL A 74 -5.849 -2.092 -2.436 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.519 -2.706 -1.165 1.00 0.00 C ATOM 1134 C VAL A 74 -5.444 -4.200 -1.468 1.00 0.00 C ATOM 1135 O VAL A 74 -6.236 -4.700 -2.270 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.614 -2.378 -0.123 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.347 -3.064 1.227 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.762 -0.862 0.092 1.00 0.00 C ATOM 0 H VAL A 74 -6.602 -2.584 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.583 -2.343 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.547 -2.767 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.140 -2.807 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.323 -4.145 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.389 -2.728 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.541 -0.674 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.817 -0.451 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.033 -0.386 -0.850 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.502 -4.899 -0.842 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.528 -6.350 -0.730 1.00 0.00 C ATOM 1150 C TYR A 75 -4.183 -6.727 0.706 1.00 0.00 C ATOM 1151 O TYR A 75 -3.266 -6.143 1.293 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.564 -7.008 -1.723 1.00 0.00 C ATOM 1153 CG TYR A 75 -3.984 -6.899 -3.177 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.042 -7.678 -3.687 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.306 -6.013 -4.027 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.428 -7.567 -5.036 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -3.666 -5.910 -5.380 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.741 -6.669 -5.889 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.042 -6.543 -7.212 1.00 0.00 O ATOM 0 H TYR A 75 -3.693 -4.468 -0.395 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.525 -6.715 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.579 -6.555 -1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.462 -8.062 -1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.561 -8.366 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.502 -5.406 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.243 -8.163 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.118 -5.247 -6.034 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.454 -5.872 -7.619 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.901 -7.698 1.270 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.617 -8.217 2.610 1.00 0.00 C ATOM 1171 C ASP A 76 -3.198 -8.804 2.650 1.00 0.00 C ATOM 1172 O ASP A 76 -2.707 -9.333 1.648 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.675 -9.258 3.014 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.776 -9.495 4.530 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.776 -9.332 5.265 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.876 -9.878 4.994 1.00 0.00 O ATOM 0 H ASP A 76 -5.695 -8.147 0.813 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.666 -7.403 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.647 -8.935 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.444 -10.204 2.524 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.537 -8.741 3.805 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.191 -9.253 4.052 1.00 0.00 C ATOM 1183 C GLY A 77 -1.063 -10.753 3.808 1.00 0.00 C ATOM 1184 O GLY A 77 0.058 -11.240 3.663 1.00 0.00 O ATOM 0 H GLY A 77 -2.946 -8.310 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.486 -8.726 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.910 -9.034 5.082 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.165 -11.496 3.709 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.172 -12.901 3.310 1.00 0.00 C ATOM 1190 C GLU A 78 -1.497 -13.119 1.949 1.00 0.00 C ATOM 1191 O GLU A 78 -0.871 -14.156 1.723 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.610 -13.386 3.187 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.392 -13.454 4.497 1.00 0.00 C ATOM 1194 CD GLU A 78 -5.625 -14.317 4.256 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -5.479 -15.559 4.229 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -6.719 -13.763 3.999 1.00 0.00 O ATOM 0 H GLU A 78 -3.096 -11.130 3.908 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.623 -13.452 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.141 -12.726 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.604 -14.378 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.776 -13.880 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.682 -12.455 4.822 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.556 -12.128 1.051 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.910 -12.172 -0.257 1.00 0.00 C ATOM 1205 C ILE A 79 0.627 -12.220 -0.134 1.00 0.00 C ATOM 1206 O ILE A 79 1.348 -12.239 -1.136 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.432 -10.978 -1.083 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.293 -11.243 -2.590 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.724 -9.673 -0.683 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.068 -10.232 -3.437 1.00 0.00 C ATOM 0 H ILE A 79 -2.064 -11.260 1.221 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.166 -13.092 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.493 -10.861 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.239 -11.211 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.650 -12.248 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.113 -8.850 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.904 -9.470 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.348 -9.773 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.936 -10.465 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.127 -10.282 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.694 -9.228 -3.238 1.00 0.00 H new ATOM 1222 N PHE A 80 1.169 -12.181 1.086 1.00 0.00 N ATOM 1223 CA PHE A 80 2.544 -12.535 1.359 1.00 0.00 C ATOM 1224 C PHE A 80 2.840 -13.985 0.963 1.00 0.00 C ATOM 1225 O PHE A 80 3.888 -14.237 0.370 1.00 0.00 O ATOM 1226 CB PHE A 80 2.892 -12.243 2.819 1.00 0.00 C ATOM 1227 CG PHE A 80 4.352 -12.560 3.056 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.358 -11.734 2.516 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.696 -13.805 3.612 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.693 -12.170 2.515 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.029 -14.242 3.605 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.027 -13.426 3.047 1.00 0.00 C ATOM 0 H PHE A 80 0.649 -11.897 1.916 1.00 0.00 H new ATOM 0 HA PHE A 80 3.190 -11.912 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.693 -11.197 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.266 -12.841 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.103 -10.769 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.929 -14.429 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.465 -11.537 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.287 -15.202 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.052 -13.765 3.027 1.00 0.00 H new ATOM 1242 N TYR A 81 1.941 -14.923 1.274 1.00 0.00 N ATOM 1243 CA TYR A 81 2.198 -16.357 1.134 1.00 0.00 C ATOM 1244 C TYR A 81 1.853 -16.898 -0.253 1.00 0.00 C ATOM 1245 O TYR A 81 2.303 -17.993 -0.612 1.00 0.00 O ATOM 1246 CB TYR A 81 1.376 -17.115 2.179 1.00 0.00 C ATOM 1247 CG TYR A 81 1.619 -16.630 3.587 1.00 0.00 C ATOM 1248 CD1 TYR A 81 2.829 -16.944 4.228 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.667 -15.822 4.233 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.123 -16.402 5.488 1.00 0.00 C ATOM 1251 CE2 TYR A 81 0.963 -15.265 5.486 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.203 -15.524 6.107 1.00 0.00 C ATOM 1253 OH TYR A 81 2.524 -14.885 7.263 1.00 0.00 O ATOM 0 H TYR A 81 1.010 -14.707 1.632 1.00 0.00 H new ATOM 0 HA TYR A 81 3.268 -16.506 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.317 -17.013 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.615 -18.177 2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.536 -17.605 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.288 -15.631 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.049 -16.654 5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.237 -14.634 5.978 1.00 0.00 H new ATOM 0 HH TYR A 81 1.773 -14.321 7.544 1.00 0.00 H new ATOM 1263 N HIS A 82 1.057 -16.153 -1.017 1.00 0.00 N ATOM 1264 CA HIS A 82 0.578 -16.531 -2.336 1.00 0.00 C ATOM 1265 C HIS A 82 1.772 -16.637 -3.303 1.00 0.00 C ATOM 1266 O HIS A 82 2.858 -16.129 -3.014 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.486 -15.500 -2.743 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.449 -15.974 -3.800 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.673 -16.558 -3.559 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.339 -15.779 -5.149 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.292 -16.696 -4.743 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.515 -16.249 -5.746 1.00 0.00 N ATOM 0 H HIS A 82 0.718 -15.238 -0.720 1.00 0.00 H new ATOM 0 HA HIS A 82 0.108 -17.514 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.052 -15.213 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.016 -14.603 -3.104 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.496 -15.341 -5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.281 -17.110 -4.872 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.738 -16.252 -6.741 1.00 0.00 H new ATOM 1280 N ARG A 83 1.616 -17.328 -4.432 1.00 0.00 N ATOM 1281 CA ARG A 83 2.660 -17.532 -5.433 1.00 0.00 C ATOM 1282 C ARG A 83 1.987 -17.675 -6.783 1.00 0.00 C ATOM 1283 O ARG A 83 2.665 -17.956 -7.796 1.00 0.00 O ATOM 1284 CB ARG A 83 3.517 -18.769 -5.097 1.00 0.00 C ATOM 1285 CG ARG A 83 2.748 -20.093 -5.235 1.00 0.00 C ATOM 1286 CD ARG A 83 3.639 -21.308 -4.975 1.00 0.00 C ATOM 1287 NE ARG A 83 2.859 -22.544 -5.125 1.00 0.00 N ATOM 1288 CZ ARG A 83 3.098 -23.722 -4.545 1.00 0.00 C ATOM 1289 NH1 ARG A 83 4.192 -23.915 -3.814 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.215 -24.694 -4.716 1.00 0.00 N ATOM 0 H ARG A 83 0.733 -17.774 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 83 3.339 -16.680 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.386 -18.791 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.891 -18.678 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.913 -20.101 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.325 -20.163 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.477 -21.310 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.059 -21.253 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 83 2.046 -22.497 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.863 -23.157 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.360 -24.821 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.380 -24.531 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.370 -25.605 -4.285 1.00 0.00 H new TER 1304 ARG A 83