USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 798 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 81 LYS NZ :NH3+ -135:sc= -11! (180deg=-14.1!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.0186 USER MOD Set 1.3: A 93 TYR OH : rot 7:sc= -7.62! USER MOD Set 1.4: A 94 HIS : no HE2:sc= -47.5! C(o=-66!,f=-69!) USER MOD Set 2.1: A 39 SER OG : rot -174:sc= 0.285! USER MOD Set 2.2: A 46 THR OG1 : rot 61:sc= -3.84! USER MOD Set 2.3: A 65 HIS : no HE2:sc= -20.5! C(o=-24!,f=-39!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -157:sc= 0.966 (180deg=-0.15) USER MOD Set 3.2: A 64 TYR OH : rot 180:sc= -2.34! USER MOD Set 4.1: A 13 ASN :FLIP amide:sc= -7.5! C(o=-33!,f=-28!) USER MOD Set 4.2: A 35 MET CE :methyl -137:sc= -21! (180deg=-26.1!) USER MOD Set 5.1: A 28 THR OG1 : rot 110:sc= -7.42! USER MOD Set 5.2: A 30 LYS NZ :NH3+ -150:sc= 0.254! (180deg=-0.521) USER MOD Single : A 8 THR OG1 : rot 15:sc= 1 USER MOD Single : A 9 TYR OH : rot 157:sc= -2.67! USER MOD Single : A 12 TYR OH : rot 41:sc= -4.93! USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.205 (180deg=-0.716) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.000844) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -171:sc= -6.75! USER MOD Single : A 44 THR OG1 : rot -166:sc= -2.26! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -161:sc= -7.65! USER MOD Single : A 51 THR OG1 : rot 74:sc= -13.6! USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= -4.73! (180deg=-4.78!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.7! C(o=-6.7!,f=-12!) USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= -0.0896 (180deg=-0.306) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= 0.762 (180deg=-0.897) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= -0.676 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 95 GLN : amide:sc= -0.937 K(o=-0.94,f=-1.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= 0.0632 F(o=-2.3,f=0.063) USER MOD Single : A 103 THR OG1 : rot 10:sc= -4.13! USER MOD Single : A 107 TYR OH : rot -121:sc= 0.0718 USER MOD Single : A 110 CYS SG : rot -41:sc= 0.515! USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.104 9.038 4.547 1.00 0.00 N ATOM 36 CA LEU A 6 -5.123 8.202 5.230 1.00 0.00 C ATOM 37 C LEU A 6 -3.778 8.902 5.314 1.00 0.00 C ATOM 38 O LEU A 6 -2.764 8.282 5.636 1.00 0.00 O ATOM 39 CB LEU A 6 -4.950 6.876 4.498 1.00 0.00 C ATOM 40 CG LEU A 6 -5.635 6.793 3.143 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.750 6.053 2.156 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.976 6.107 3.293 1.00 0.00 C ATOM 0 HA LEU A 6 -5.492 8.016 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.885 6.691 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.334 6.076 5.131 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.802 7.799 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.250 5.999 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.804 6.584 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.560 5.044 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.465 6.048 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.828 5.101 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.601 6.677 3.980 1.00 0.00 H new ATOM 54 N GLU A 7 -3.768 10.192 5.017 1.00 0.00 N ATOM 55 CA GLU A 7 -2.535 10.962 5.054 1.00 0.00 C ATOM 56 C GLU A 7 -1.968 11.034 6.468 1.00 0.00 C ATOM 57 O GLU A 7 -1.446 12.067 6.886 1.00 0.00 O ATOM 58 CB GLU A 7 -2.767 12.372 4.507 1.00 0.00 C ATOM 59 CG GLU A 7 -4.104 12.971 4.915 1.00 0.00 C ATOM 60 CD GLU A 7 -4.194 14.454 4.615 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.270 15.196 5.006 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.190 14.873 3.988 1.00 0.00 O ATOM 0 H GLU A 7 -4.595 10.725 4.749 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.807 10.453 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.965 13.024 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.707 12.345 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.906 12.449 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.260 12.810 5.982 1.00 0.00 H new ATOM 69 N THR A 8 -2.070 9.929 7.197 1.00 0.00 N ATOM 70 CA THR A 8 -1.564 9.864 8.560 1.00 0.00 C ATOM 71 C THR A 8 -1.035 8.469 8.889 1.00 0.00 C ATOM 72 O THR A 8 -0.618 8.210 10.018 1.00 0.00 O ATOM 73 CB THR A 8 -2.661 10.251 9.551 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.388 9.720 10.836 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.037 9.773 9.140 1.00 0.00 C ATOM 0 H THR A 8 -2.499 9.065 6.865 1.00 0.00 H new ATOM 0 HA THR A 8 -0.738 10.570 8.643 1.00 0.00 H new ATOM 0 HB THR A 8 -2.663 11.341 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.454 9.427 10.877 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.768 10.082 9.888 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.300 10.207 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.036 8.686 9.061 1.00 0.00 H new ATOM 83 N TYR A 9 -1.059 7.568 7.906 1.00 0.00 N ATOM 84 CA TYR A 9 -0.584 6.206 8.119 1.00 0.00 C ATOM 85 C TYR A 9 0.901 6.081 7.816 1.00 0.00 C ATOM 86 O TYR A 9 1.376 6.526 6.771 1.00 0.00 O ATOM 87 CB TYR A 9 -1.383 5.231 7.258 1.00 0.00 C ATOM 88 CG TYR A 9 -2.846 5.222 7.625 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.287 4.517 8.737 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.782 5.935 6.882 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.618 4.516 9.099 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.118 5.941 7.243 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.530 5.230 8.351 1.00 0.00 C ATOM 94 OH TYR A 9 -6.857 5.234 8.712 1.00 0.00 O ATOM 0 H TYR A 9 -1.400 7.757 6.963 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.731 5.959 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.274 5.502 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.974 4.227 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.576 3.960 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.462 6.491 6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.944 3.958 9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.835 6.500 6.660 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.293 6.032 8.346 1.00 0.00 H new ATOM 104 N GLU A 10 1.626 5.462 8.739 1.00 0.00 N ATOM 105 CA GLU A 10 3.058 5.263 8.579 1.00 0.00 C ATOM 106 C GLU A 10 3.377 4.854 7.153 1.00 0.00 C ATOM 107 O GLU A 10 4.501 5.018 6.681 1.00 0.00 O ATOM 108 CB GLU A 10 3.540 4.170 9.535 1.00 0.00 C ATOM 109 CG GLU A 10 4.610 3.264 8.943 1.00 0.00 C ATOM 110 CD GLU A 10 5.829 3.140 9.838 1.00 0.00 C ATOM 111 OE1 GLU A 10 6.135 4.112 10.560 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.476 2.073 9.815 1.00 0.00 O ATOM 0 H GLU A 10 1.243 5.089 9.608 1.00 0.00 H new ATOM 0 HA GLU A 10 3.566 6.200 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.932 4.637 10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.687 3.561 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.188 2.274 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.915 3.654 7.972 1.00 0.00 H new ATOM 119 N TRP A 11 2.386 4.282 6.487 1.00 0.00 N ATOM 120 CA TRP A 11 2.558 3.800 5.131 1.00 0.00 C ATOM 121 C TRP A 11 2.088 4.797 4.071 1.00 0.00 C ATOM 122 O TRP A 11 2.609 4.809 2.961 1.00 0.00 O ATOM 123 CB TRP A 11 1.779 2.506 4.986 1.00 0.00 C ATOM 124 CG TRP A 11 0.426 2.569 5.629 1.00 0.00 C ATOM 125 CD1 TRP A 11 0.065 2.119 6.870 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.757 3.105 5.041 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.277 2.333 7.076 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.804 2.940 5.965 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.028 3.705 3.816 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.105 3.356 5.694 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.315 4.117 3.546 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.339 3.940 4.481 1.00 0.00 C ATOM 0 H TRP A 11 1.451 4.141 6.868 1.00 0.00 H new ATOM 0 HA TRP A 11 3.625 3.650 4.964 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.663 2.273 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.350 1.691 5.431 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.736 1.663 7.583 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.796 2.082 7.917 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.243 3.846 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.898 3.222 6.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.536 4.584 2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.338 4.272 4.239 1.00 0.00 H new ATOM 143 N TYR A 12 1.086 5.605 4.386 1.00 0.00 N ATOM 144 CA TYR A 12 0.562 6.554 3.407 1.00 0.00 C ATOM 145 C TYR A 12 1.571 7.631 3.024 1.00 0.00 C ATOM 146 O TYR A 12 2.294 8.164 3.865 1.00 0.00 O ATOM 147 CB TYR A 12 -0.718 7.214 3.901 1.00 0.00 C ATOM 148 CG TYR A 12 -1.435 7.961 2.802 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.233 7.285 1.890 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.306 9.337 2.667 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.885 7.958 0.878 1.00 0.00 C ATOM 152 CE2 TYR A 12 -1.956 10.019 1.657 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.745 9.325 0.765 1.00 0.00 C ATOM 154 OH TYR A 12 -3.394 9.999 -0.244 1.00 0.00 O ATOM 0 H TYR A 12 0.624 5.626 5.295 1.00 0.00 H new ATOM 0 HA TYR A 12 0.346 5.966 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.381 6.454 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.480 7.903 4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.345 6.214 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.687 9.883 3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.503 7.416 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.847 11.090 1.567 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.299 9.639 -0.348 1.00 0.00 H new ATOM 164 N ASN A 13 1.583 7.948 1.733 1.00 0.00 N ATOM 165 CA ASN A 13 2.460 8.965 1.174 1.00 0.00 C ATOM 166 C ASN A 13 1.761 9.669 0.010 1.00 0.00 C ATOM 167 O ASN A 13 1.747 9.166 -1.113 1.00 0.00 O ATOM 168 CB ASN A 13 3.761 8.326 0.701 1.00 0.00 C ATOM 169 CG ASN A 13 4.982 9.005 1.289 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.868 8.214 1.879 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.126 10.224 1.214 1.00 0.00 N flip ATOM 0 H ASN A 13 0.979 7.502 1.042 1.00 0.00 H new ATOM 0 HA ASN A 13 2.691 9.702 1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.766 7.271 0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.811 8.372 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.418 10.794 0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.953 10.665 1.615 1.00 0.00 H new ATOM 178 N LYS A 14 1.158 10.820 0.296 1.00 0.00 N ATOM 179 CA LYS A 14 0.426 11.581 -0.714 1.00 0.00 C ATOM 180 C LYS A 14 1.328 12.050 -1.856 1.00 0.00 C ATOM 181 O LYS A 14 1.542 11.328 -2.830 1.00 0.00 O ATOM 182 CB LYS A 14 -0.262 12.783 -0.069 1.00 0.00 C ATOM 183 CG LYS A 14 -1.770 12.632 0.044 1.00 0.00 C ATOM 184 CD LYS A 14 -2.498 13.663 -0.801 1.00 0.00 C ATOM 185 CE LYS A 14 -4.001 13.608 -0.573 1.00 0.00 C ATOM 186 NZ LYS A 14 -4.346 13.666 0.874 1.00 0.00 N ATOM 0 H LYS A 14 1.162 11.248 1.222 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.321 10.913 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.155 12.939 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.037 13.676 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.061 11.630 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.070 12.737 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.128 14.660 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.282 13.489 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.478 14.439 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.400 12.690 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.346 13.931 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.186 12.734 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.747 14.374 1.345 1.00 0.00 H new ATOM 200 N SER A 15 1.838 13.274 -1.736 1.00 0.00 N ATOM 201 CA SER A 15 2.701 13.865 -2.759 1.00 0.00 C ATOM 202 C SER A 15 3.703 12.858 -3.323 1.00 0.00 C ATOM 203 O SER A 15 4.417 13.154 -4.281 1.00 0.00 O ATOM 204 CB SER A 15 3.449 15.069 -2.182 1.00 0.00 C ATOM 205 OG SER A 15 4.824 14.774 -1.997 1.00 0.00 O ATOM 0 H SER A 15 1.667 13.881 -0.934 1.00 0.00 H new ATOM 0 HA SER A 15 2.058 14.185 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.344 15.922 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.004 15.355 -1.229 1.00 0.00 H new ATOM 0 HG SER A 15 5.280 15.559 -1.629 1.00 0.00 H new ATOM 211 N ILE A 16 3.768 11.678 -2.720 1.00 0.00 N ATOM 212 CA ILE A 16 4.693 10.645 -3.151 1.00 0.00 C ATOM 213 C ILE A 16 4.453 10.187 -4.581 1.00 0.00 C ATOM 214 O ILE A 16 3.345 10.273 -5.110 1.00 0.00 O ATOM 215 CB ILE A 16 4.573 9.408 -2.260 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.860 9.174 -1.499 1.00 0.00 C ATOM 217 CG2 ILE A 16 4.245 8.188 -3.106 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.150 7.706 -1.293 1.00 0.00 C ATOM 0 H ILE A 16 3.185 11.414 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 16 5.683 11.097 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 16 3.769 9.575 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.687 9.632 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.801 9.669 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.161 7.311 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.300 8.349 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.038 8.028 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.084 7.593 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.338 7.251 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.238 7.213 -2.261 1.00 0.00 H new ATOM 230 N SER A 17 5.514 9.651 -5.171 1.00 0.00 N ATOM 231 CA SER A 17 5.472 9.107 -6.517 1.00 0.00 C ATOM 232 C SER A 17 5.991 7.673 -6.489 1.00 0.00 C ATOM 233 O SER A 17 6.835 7.334 -5.660 1.00 0.00 O ATOM 234 CB SER A 17 6.310 9.959 -7.466 1.00 0.00 C ATOM 235 OG SER A 17 5.664 10.115 -8.718 1.00 0.00 O ATOM 0 H SER A 17 6.429 9.582 -4.726 1.00 0.00 H new ATOM 0 HA SER A 17 4.444 9.115 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.487 10.938 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.285 9.494 -7.612 1.00 0.00 H new ATOM 0 HG SER A 17 6.221 10.666 -9.307 1.00 0.00 H new ATOM 241 N ARG A 18 5.490 6.832 -7.380 1.00 0.00 N ATOM 242 CA ARG A 18 5.923 5.440 -7.423 1.00 0.00 C ATOM 243 C ARG A 18 7.447 5.344 -7.426 1.00 0.00 C ATOM 244 O ARG A 18 8.019 4.377 -6.923 1.00 0.00 O ATOM 245 CB ARG A 18 5.353 4.744 -8.660 1.00 0.00 C ATOM 246 CG ARG A 18 6.360 4.584 -9.786 1.00 0.00 C ATOM 247 CD ARG A 18 5.765 3.827 -10.962 1.00 0.00 C ATOM 248 NE ARG A 18 6.460 4.123 -12.211 1.00 0.00 N ATOM 249 CZ ARG A 18 6.695 3.218 -13.155 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.291 1.966 -12.991 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.332 3.564 -14.266 1.00 0.00 N ATOM 0 H ARG A 18 4.790 7.083 -8.078 1.00 0.00 H new ATOM 0 HA ARG A 18 5.547 4.941 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.981 3.760 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.499 5.314 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.696 5.567 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.238 4.054 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.813 2.756 -10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.711 4.085 -11.064 1.00 0.00 H new ATOM 0 HE ARG A 18 6.783 5.078 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.799 1.696 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.472 1.272 -13.717 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.643 4.527 -14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.511 2.867 -14.989 1.00 0.00 H new ATOM 265 N ASP A 19 8.094 6.347 -8.008 1.00 0.00 N ATOM 266 CA ASP A 19 9.552 6.379 -8.097 1.00 0.00 C ATOM 267 C ASP A 19 10.217 6.699 -6.755 1.00 0.00 C ATOM 268 O ASP A 19 11.215 6.076 -6.389 1.00 0.00 O ATOM 269 CB ASP A 19 9.989 7.405 -9.143 1.00 0.00 C ATOM 270 CG ASP A 19 11.497 7.506 -9.260 1.00 0.00 C ATOM 271 OD1 ASP A 19 12.145 7.886 -8.263 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.030 7.204 -10.349 1.00 0.00 O ATOM 0 H ASP A 19 7.631 7.153 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 19 9.875 5.381 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.570 7.133 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.581 8.382 -8.882 1.00 0.00 H new ATOM 277 N LYS A 20 9.686 7.688 -6.039 1.00 0.00 N ATOM 278 CA LYS A 20 10.263 8.098 -4.759 1.00 0.00 C ATOM 279 C LYS A 20 9.906 7.137 -3.633 1.00 0.00 C ATOM 280 O LYS A 20 10.716 6.890 -2.730 1.00 0.00 O ATOM 281 CB LYS A 20 9.783 9.502 -4.394 1.00 0.00 C ATOM 282 CG LYS A 20 9.815 10.470 -5.559 1.00 0.00 C ATOM 283 CD LYS A 20 8.433 10.656 -6.156 1.00 0.00 C ATOM 284 CE LYS A 20 7.764 11.915 -5.630 1.00 0.00 C ATOM 285 NZ LYS A 20 7.908 13.057 -6.575 1.00 0.00 N ATOM 0 H LYS A 20 8.862 8.218 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 20 11.346 8.089 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.765 9.441 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.405 9.893 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.202 11.433 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.498 10.100 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.509 10.710 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.815 9.789 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.706 11.718 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.200 12.183 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.607 13.935 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.903 13.143 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.315 12.891 -7.413 1.00 0.00 H new ATOM 299 N ALA A 21 8.685 6.617 -3.676 1.00 0.00 N ATOM 300 CA ALA A 21 8.218 5.712 -2.641 1.00 0.00 C ATOM 301 C ALA A 21 9.227 4.606 -2.379 1.00 0.00 C ATOM 302 O ALA A 21 9.527 4.284 -1.229 1.00 0.00 O ATOM 303 CB ALA A 21 6.863 5.128 -2.995 1.00 0.00 C ATOM 0 H ALA A 21 8.006 6.807 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 21 8.108 6.292 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.539 4.454 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.137 5.934 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.938 4.576 -3.932 1.00 0.00 H new ATOM 309 N GLU A 22 9.762 4.029 -3.439 1.00 0.00 N ATOM 310 CA GLU A 22 10.740 2.972 -3.282 1.00 0.00 C ATOM 311 C GLU A 22 11.986 3.512 -2.589 1.00 0.00 C ATOM 312 O GLU A 22 12.418 2.986 -1.556 1.00 0.00 O ATOM 313 CB GLU A 22 11.101 2.380 -4.644 1.00 0.00 C ATOM 314 CG GLU A 22 9.921 1.752 -5.368 1.00 0.00 C ATOM 315 CD GLU A 22 10.245 1.391 -6.804 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.970 2.166 -7.463 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.773 0.332 -7.271 1.00 0.00 O ATOM 0 H GLU A 22 9.539 4.271 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 22 10.311 2.183 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.525 3.165 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.876 1.626 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.607 0.855 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.079 2.444 -5.352 1.00 0.00 H new ATOM 324 N LYS A 23 12.544 4.586 -3.143 1.00 0.00 N ATOM 325 CA LYS A 23 13.717 5.206 -2.554 1.00 0.00 C ATOM 326 C LYS A 23 13.438 5.501 -1.092 1.00 0.00 C ATOM 327 O LYS A 23 14.250 5.200 -0.217 1.00 0.00 O ATOM 328 CB LYS A 23 14.084 6.495 -3.293 1.00 0.00 C ATOM 329 CG LYS A 23 12.902 7.418 -3.531 1.00 0.00 C ATOM 330 CD LYS A 23 13.320 8.671 -4.284 1.00 0.00 C ATOM 331 CE LYS A 23 12.752 9.924 -3.637 1.00 0.00 C ATOM 332 NZ LYS A 23 13.795 10.969 -3.442 1.00 0.00 N ATOM 0 H LYS A 23 12.203 5.038 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 23 14.561 4.522 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.842 7.029 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.533 6.238 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.135 6.890 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.458 7.697 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.408 8.735 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.979 8.607 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.950 10.322 -4.259 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.311 9.667 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.368 11.807 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.548 10.598 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.199 11.233 -4.363 1.00 0.00 H new ATOM 346 N LEU A 24 12.265 6.071 -0.833 1.00 0.00 N ATOM 347 CA LEU A 24 11.864 6.379 0.532 1.00 0.00 C ATOM 348 C LEU A 24 11.636 5.090 1.314 1.00 0.00 C ATOM 349 O LEU A 24 12.055 4.970 2.465 1.00 0.00 O ATOM 350 CB LEU A 24 10.594 7.225 0.542 1.00 0.00 C ATOM 351 CG LEU A 24 9.554 6.831 -0.504 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.497 5.925 0.104 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.917 8.076 -1.105 1.00 0.00 C ATOM 0 H LEU A 24 11.581 6.327 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 24 12.664 6.948 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.138 7.159 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.868 8.268 0.386 1.00 0.00 H new ATOM 0 HG LEU A 24 10.053 6.278 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.766 5.656 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.970 5.021 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.996 6.447 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.177 7.783 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.431 8.652 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.686 8.686 -1.579 1.00 0.00 H new ATOM 365 N LEU A 25 10.981 4.119 0.677 1.00 0.00 N ATOM 366 CA LEU A 25 10.718 2.837 1.316 1.00 0.00 C ATOM 367 C LEU A 25 12.032 2.172 1.700 1.00 0.00 C ATOM 368 O LEU A 25 12.155 1.585 2.774 1.00 0.00 O ATOM 369 CB LEU A 25 9.916 1.916 0.388 1.00 0.00 C ATOM 370 CG LEU A 25 8.397 1.958 0.581 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.686 1.724 -0.742 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.960 0.927 1.611 1.00 0.00 C ATOM 0 H LEU A 25 10.626 4.198 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 25 10.127 3.015 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.142 2.181 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.257 0.891 0.536 1.00 0.00 H new ATOM 0 HG LEU A 25 8.124 2.947 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.608 1.757 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.974 2.499 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.966 0.748 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.878 0.972 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.246 -0.069 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.443 1.138 2.565 1.00 0.00 H new ATOM 384 N LEU A 26 13.018 2.277 0.812 1.00 0.00 N ATOM 385 CA LEU A 26 14.331 1.693 1.060 1.00 0.00 C ATOM 386 C LEU A 26 14.989 2.320 2.285 1.00 0.00 C ATOM 387 O LEU A 26 15.788 1.680 2.968 1.00 0.00 O ATOM 388 CB LEU A 26 15.231 1.875 -0.161 1.00 0.00 C ATOM 389 CG LEU A 26 15.049 0.821 -1.249 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.579 0.484 -1.412 1.00 0.00 C ATOM 391 CD2 LEU A 26 15.644 1.300 -2.565 1.00 0.00 C ATOM 0 H LEU A 26 12.932 2.760 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 26 14.194 0.629 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.042 2.858 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.271 1.864 0.166 1.00 0.00 H new ATOM 0 HG LEU A 26 15.579 -0.083 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.463 -0.269 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.188 0.096 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.028 1.383 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.504 0.534 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.146 2.218 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.709 1.491 -2.434 1.00 0.00 H new ATOM 403 N ASP A 27 14.649 3.575 2.555 1.00 0.00 N ATOM 404 CA ASP A 27 15.208 4.291 3.696 1.00 0.00 C ATOM 405 C ASP A 27 14.848 3.599 5.007 1.00 0.00 C ATOM 406 O ASP A 27 15.538 3.758 6.013 1.00 0.00 O ATOM 407 CB ASP A 27 14.705 5.735 3.714 1.00 0.00 C ATOM 408 CG ASP A 27 15.298 6.567 2.593 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.541 6.639 2.500 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.518 7.147 1.808 1.00 0.00 O ATOM 0 H ASP A 27 13.989 4.118 1.999 1.00 0.00 H new ATOM 0 HA ASP A 27 16.293 4.291 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.618 5.740 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.953 6.192 4.672 1.00 0.00 H new ATOM 415 N THR A 28 13.759 2.838 4.989 1.00 0.00 N ATOM 416 CA THR A 28 13.306 2.127 6.180 1.00 0.00 C ATOM 417 C THR A 28 13.937 0.739 6.267 1.00 0.00 C ATOM 418 O THR A 28 14.154 0.214 7.359 1.00 0.00 O ATOM 419 CB THR A 28 11.780 2.013 6.177 1.00 0.00 C ATOM 420 OG1 THR A 28 11.277 1.996 7.501 1.00 0.00 O ATOM 421 CG2 THR A 28 11.269 0.777 5.473 1.00 0.00 C ATOM 0 H THR A 28 13.174 2.698 4.165 1.00 0.00 H new ATOM 0 HA THR A 28 13.620 2.697 7.054 1.00 0.00 H new ATOM 0 HB THR A 28 11.428 2.888 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.803 2.835 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.180 0.762 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.597 0.788 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.661 -0.112 5.967 1.00 0.00 H new ATOM 429 N GLY A 29 14.231 0.153 5.111 1.00 0.00 N ATOM 430 CA GLY A 29 14.838 -1.166 5.082 1.00 0.00 C ATOM 431 C GLY A 29 14.066 -2.185 5.899 1.00 0.00 C ATOM 432 O GLY A 29 14.461 -2.526 7.014 1.00 0.00 O ATOM 0 H GLY A 29 14.060 0.567 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.903 -1.509 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.858 -1.100 5.461 1.00 0.00 H new ATOM 436 N LYS A 30 12.960 -2.669 5.343 1.00 0.00 N ATOM 437 CA LYS A 30 12.124 -3.653 6.022 1.00 0.00 C ATOM 438 C LYS A 30 11.569 -4.689 5.065 1.00 0.00 C ATOM 439 O LYS A 30 11.368 -4.418 3.881 1.00 0.00 O ATOM 440 CB LYS A 30 10.955 -2.972 6.723 1.00 0.00 C ATOM 441 CG LYS A 30 11.307 -2.380 8.066 1.00 0.00 C ATOM 442 CD LYS A 30 11.659 -0.907 7.961 1.00 0.00 C ATOM 443 CE LYS A 30 10.546 -0.043 8.526 1.00 0.00 C ATOM 444 NZ LYS A 30 11.046 0.925 9.537 1.00 0.00 N ATOM 0 H LYS A 30 12.621 -2.395 4.421 1.00 0.00 H new ATOM 0 HA LYS A 30 12.764 -4.153 6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.568 -2.182 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.152 -3.697 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.467 -2.505 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.149 -2.925 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.586 -0.711 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.835 -0.644 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.062 0.500 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.788 -0.681 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.298 1.117 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.875 0.524 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.316 1.812 9.065 1.00 0.00 H new ATOM 458 N GLU A 31 11.279 -5.869 5.600 1.00 0.00 N ATOM 459 CA GLU A 31 10.696 -6.930 4.802 1.00 0.00 C ATOM 460 C GLU A 31 9.192 -6.716 4.726 1.00 0.00 C ATOM 461 O GLU A 31 8.474 -6.903 5.709 1.00 0.00 O ATOM 462 CB GLU A 31 11.007 -8.298 5.413 1.00 0.00 C ATOM 463 CG GLU A 31 9.974 -9.362 5.080 1.00 0.00 C ATOM 464 CD GLU A 31 10.603 -10.689 4.701 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.271 -10.748 3.648 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.428 -11.667 5.457 1.00 0.00 O ATOM 0 H GLU A 31 11.439 -6.110 6.578 1.00 0.00 H new ATOM 0 HA GLU A 31 11.123 -6.906 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.984 -8.630 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.075 -8.196 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.318 -9.507 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.350 -9.012 4.258 1.00 0.00 H new ATOM 473 N GLY A 32 8.724 -6.305 3.560 1.00 0.00 N ATOM 474 CA GLY A 32 7.317 -6.052 3.377 1.00 0.00 C ATOM 475 C GLY A 32 6.943 -4.617 3.697 1.00 0.00 C ATOM 476 O GLY A 32 5.762 -4.303 3.844 1.00 0.00 O ATOM 0 H GLY A 32 9.299 -6.142 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.041 -6.276 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.743 -6.725 4.014 1.00 0.00 H new ATOM 480 N ALA A 33 7.942 -3.733 3.800 1.00 0.00 N ATOM 481 CA ALA A 33 7.664 -2.337 4.095 1.00 0.00 C ATOM 482 C ALA A 33 6.445 -1.898 3.313 1.00 0.00 C ATOM 483 O ALA A 33 6.318 -2.208 2.128 1.00 0.00 O ATOM 484 CB ALA A 33 8.860 -1.465 3.765 1.00 0.00 C ATOM 0 H ALA A 33 8.930 -3.960 3.685 1.00 0.00 H new ATOM 0 HA ALA A 33 7.466 -2.229 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.627 -0.425 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.717 -1.784 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.097 -1.558 2.705 1.00 0.00 H new ATOM 490 N PHE A 34 5.537 -1.207 3.978 1.00 0.00 N ATOM 491 CA PHE A 34 4.313 -0.769 3.335 1.00 0.00 C ATOM 492 C PHE A 34 4.144 0.735 3.344 1.00 0.00 C ATOM 493 O PHE A 34 4.584 1.423 4.256 1.00 0.00 O ATOM 494 CB PHE A 34 3.113 -1.384 4.019 1.00 0.00 C ATOM 495 CG PHE A 34 1.849 -0.630 3.717 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.408 -0.503 2.412 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.095 -0.054 4.723 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.250 0.188 2.117 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.055 0.627 4.431 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.481 0.755 3.131 1.00 0.00 C ATOM 0 H PHE A 34 5.624 -0.938 4.958 1.00 0.00 H new ATOM 0 HA PHE A 34 4.384 -1.097 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.003 -2.420 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.278 -1.400 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.978 -0.951 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.417 -0.143 5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.079 0.282 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.633 1.068 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.387 1.299 2.908 1.00 0.00 H new ATOM 510 N MET A 35 3.475 1.223 2.317 1.00 0.00 N ATOM 511 CA MET A 35 3.198 2.637 2.181 1.00 0.00 C ATOM 512 C MET A 35 2.027 2.836 1.227 1.00 0.00 C ATOM 513 O MET A 35 1.584 1.887 0.582 1.00 0.00 O ATOM 514 CB MET A 35 4.442 3.362 1.684 1.00 0.00 C ATOM 515 CG MET A 35 4.199 4.788 1.236 1.00 0.00 C ATOM 516 SD MET A 35 5.646 5.483 0.447 1.00 0.00 S ATOM 517 CE MET A 35 6.745 5.395 1.850 1.00 0.00 C ATOM 0 H MET A 35 3.110 0.651 1.556 1.00 0.00 H new ATOM 0 HA MET A 35 2.928 3.055 3.151 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.187 3.366 2.479 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.867 2.800 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.358 4.815 0.543 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.924 5.399 2.096 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.320 6.318 1.920 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.162 5.260 2.761 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.425 4.552 1.727 1.00 0.00 H new ATOM 527 N VAL A 36 1.517 4.055 1.141 1.00 0.00 N ATOM 528 CA VAL A 36 0.392 4.332 0.258 1.00 0.00 C ATOM 529 C VAL A 36 0.516 5.695 -0.394 1.00 0.00 C ATOM 530 O VAL A 36 1.116 6.609 0.163 1.00 0.00 O ATOM 531 CB VAL A 36 -0.957 4.245 0.992 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.088 4.736 0.100 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.210 2.817 1.443 1.00 0.00 C ATOM 0 H VAL A 36 1.859 4.861 1.665 1.00 0.00 H new ATOM 0 HA VAL A 36 0.419 3.562 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.919 4.888 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.033 4.666 0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.906 5.774 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.136 4.121 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.167 2.763 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.231 2.159 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.414 2.502 2.117 1.00 0.00 H new ATOM 543 N ARG A 37 -0.045 5.821 -1.585 1.00 0.00 N ATOM 544 CA ARG A 37 0.012 7.075 -2.315 1.00 0.00 C ATOM 545 C ARG A 37 -1.253 7.286 -3.136 1.00 0.00 C ATOM 546 O ARG A 37 -1.581 6.495 -4.018 1.00 0.00 O ATOM 547 CB ARG A 37 1.266 7.104 -3.190 1.00 0.00 C ATOM 548 CG ARG A 37 1.026 6.799 -4.655 1.00 0.00 C ATOM 549 CD ARG A 37 2.009 5.752 -5.148 1.00 0.00 C ATOM 550 NE ARG A 37 2.321 5.896 -6.568 1.00 0.00 N ATOM 551 CZ ARG A 37 1.410 6.097 -7.519 1.00 0.00 C ATOM 552 NH1 ARG A 37 0.121 6.153 -7.213 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.790 6.232 -8.782 1.00 0.00 N ATOM 0 H ARG A 37 -0.544 5.072 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 37 0.070 7.899 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.726 8.089 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.983 6.384 -2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.005 6.443 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.130 7.710 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.930 5.823 -4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.596 4.759 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 37 3.300 5.839 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.178 6.042 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.571 6.307 -7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.779 6.182 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.093 6.386 -9.511 1.00 0.00 H new ATOM 567 N ASP A 38 -1.974 8.353 -2.810 1.00 0.00 N ATOM 568 CA ASP A 38 -3.222 8.674 -3.486 1.00 0.00 C ATOM 569 C ASP A 38 -3.047 8.735 -4.997 1.00 0.00 C ATOM 570 O ASP A 38 -1.984 9.094 -5.502 1.00 0.00 O ATOM 571 CB ASP A 38 -3.782 10.000 -2.969 1.00 0.00 C ATOM 572 CG ASP A 38 -4.816 10.595 -3.904 1.00 0.00 C ATOM 573 OD1 ASP A 38 -4.587 10.574 -5.132 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.855 11.082 -3.410 1.00 0.00 O ATOM 0 H ASP A 38 -1.712 9.013 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.929 7.874 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.231 9.844 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.965 10.709 -2.837 1.00 0.00 H new ATOM 579 N SER A 39 -4.107 8.373 -5.710 1.00 0.00 N ATOM 580 CA SER A 39 -4.095 8.372 -7.165 1.00 0.00 C ATOM 581 C SER A 39 -5.307 9.112 -7.722 1.00 0.00 C ATOM 582 O SER A 39 -6.222 9.472 -6.981 1.00 0.00 O ATOM 583 CB SER A 39 -4.087 6.935 -7.679 1.00 0.00 C ATOM 584 OG SER A 39 -2.764 6.445 -7.807 1.00 0.00 O ATOM 0 H SER A 39 -4.991 8.074 -5.299 1.00 0.00 H new ATOM 0 HA SER A 39 -3.195 8.886 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.649 6.298 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.590 6.888 -8.645 1.00 0.00 H new ATOM 0 HG SER A 39 -2.782 5.562 -8.233 1.00 0.00 H new ATOM 590 N ARG A 40 -5.312 9.325 -9.035 1.00 0.00 N ATOM 591 CA ARG A 40 -6.418 10.010 -9.693 1.00 0.00 C ATOM 592 C ARG A 40 -7.516 9.017 -10.057 1.00 0.00 C ATOM 593 O ARG A 40 -8.630 9.402 -10.411 1.00 0.00 O ATOM 594 CB ARG A 40 -5.926 10.730 -10.950 1.00 0.00 C ATOM 595 CG ARG A 40 -5.114 11.982 -10.656 1.00 0.00 C ATOM 596 CD ARG A 40 -5.938 13.241 -10.866 1.00 0.00 C ATOM 597 NE ARG A 40 -5.171 14.293 -11.528 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.670 15.486 -11.834 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.930 15.777 -11.537 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.911 16.390 -12.436 1.00 0.00 N ATOM 0 H ARG A 40 -4.563 9.033 -9.663 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.826 10.748 -9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.318 10.042 -11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.785 11.000 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.752 11.950 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.236 12.008 -11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.818 13.003 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.296 13.605 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.199 14.101 -11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.518 15.084 -11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.311 16.693 -11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.942 16.171 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.296 17.305 -12.670 1.00 0.00 H new ATOM 614 N THR A 41 -7.187 7.732 -9.960 1.00 0.00 N ATOM 615 CA THR A 41 -8.132 6.666 -10.270 1.00 0.00 C ATOM 616 C THR A 41 -9.487 6.933 -9.617 1.00 0.00 C ATOM 617 O THR A 41 -9.742 8.036 -9.130 1.00 0.00 O ATOM 618 CB THR A 41 -7.562 5.326 -9.802 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.912 4.286 -10.698 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.025 4.923 -8.418 1.00 0.00 C ATOM 0 H THR A 41 -6.267 7.403 -9.667 1.00 0.00 H new ATOM 0 HA THR A 41 -8.285 6.632 -11.349 1.00 0.00 H new ATOM 0 HB THR A 41 -6.482 5.471 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.661 3.422 -10.310 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.582 3.963 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.715 5.679 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.111 4.836 -8.409 1.00 0.00 H new ATOM 628 N PRO A 42 -10.381 5.929 -9.601 1.00 0.00 N ATOM 629 CA PRO A 42 -11.719 6.062 -9.010 1.00 0.00 C ATOM 630 C PRO A 42 -11.719 6.749 -7.644 1.00 0.00 C ATOM 631 O PRO A 42 -12.774 6.918 -7.033 1.00 0.00 O ATOM 632 CB PRO A 42 -12.181 4.612 -8.882 1.00 0.00 C ATOM 633 CG PRO A 42 -11.507 3.913 -10.010 1.00 0.00 C ATOM 634 CD PRO A 42 -10.167 4.582 -10.169 1.00 0.00 C ATOM 0 HA PRO A 42 -12.366 6.690 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.894 4.186 -7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.266 4.532 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.390 2.850 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.094 3.992 -10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.384 4.042 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.865 4.631 -11.215 1.00 0.00 H new ATOM 642 N GLY A 43 -10.544 7.153 -7.168 1.00 0.00 N ATOM 643 CA GLY A 43 -10.466 7.822 -5.882 1.00 0.00 C ATOM 644 C GLY A 43 -9.747 7.007 -4.828 1.00 0.00 C ATOM 645 O GLY A 43 -9.863 7.285 -3.634 1.00 0.00 O ATOM 0 H GLY A 43 -9.651 7.030 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.954 8.776 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.475 8.045 -5.534 1.00 0.00 H new ATOM 649 N THR A 44 -9.002 5.999 -5.263 1.00 0.00 N ATOM 650 CA THR A 44 -8.266 5.147 -4.338 1.00 0.00 C ATOM 651 C THR A 44 -6.835 5.624 -4.160 1.00 0.00 C ATOM 652 O THR A 44 -6.373 6.533 -4.849 1.00 0.00 O ATOM 653 CB THR A 44 -8.237 3.700 -4.828 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.928 3.172 -4.719 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.673 3.530 -6.267 1.00 0.00 C ATOM 0 H THR A 44 -8.892 5.752 -6.246 1.00 0.00 H new ATOM 0 HA THR A 44 -8.786 5.202 -3.382 1.00 0.00 H new ATOM 0 HB THR A 44 -8.946 3.170 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.868 2.338 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.625 2.476 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.696 3.888 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.012 4.103 -6.917 1.00 0.00 H new ATOM 663 N TYR A 45 -6.141 4.980 -3.235 1.00 0.00 N ATOM 664 CA TYR A 45 -4.755 5.298 -2.949 1.00 0.00 C ATOM 665 C TYR A 45 -3.839 4.166 -3.392 1.00 0.00 C ATOM 666 O TYR A 45 -4.272 3.023 -3.583 1.00 0.00 O ATOM 667 CB TYR A 45 -4.548 5.569 -1.460 1.00 0.00 C ATOM 668 CG TYR A 45 -5.605 6.455 -0.858 1.00 0.00 C ATOM 669 CD1 TYR A 45 -5.650 7.809 -1.153 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.559 5.935 -0.001 1.00 0.00 C ATOM 671 CE1 TYR A 45 -6.624 8.622 -0.607 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.534 6.737 0.549 1.00 0.00 C ATOM 673 CZ TYR A 45 -7.565 8.082 0.244 1.00 0.00 C ATOM 674 OH TYR A 45 -8.538 8.888 0.790 1.00 0.00 O ATOM 0 H TYR A 45 -6.523 4.225 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.504 6.200 -3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.533 4.620 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.572 6.032 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.913 8.234 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.539 4.883 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.648 9.675 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.271 6.315 1.216 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.122 8.352 1.366 1.00 0.00 H new ATOM 684 N THR A 46 -2.571 4.497 -3.550 1.00 0.00 N ATOM 685 CA THR A 46 -1.571 3.528 -3.949 1.00 0.00 C ATOM 686 C THR A 46 -0.900 2.962 -2.700 1.00 0.00 C ATOM 687 O THR A 46 -0.891 3.613 -1.659 1.00 0.00 O ATOM 688 CB THR A 46 -0.545 4.190 -4.859 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.189 4.945 -5.869 1.00 0.00 O ATOM 690 CG2 THR A 46 0.371 3.199 -5.541 1.00 0.00 C ATOM 0 H THR A 46 -2.208 5.439 -3.406 1.00 0.00 H new ATOM 0 HA THR A 46 -2.041 2.714 -4.500 1.00 0.00 H new ATOM 0 HB THR A 46 0.054 4.828 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.730 5.650 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.078 3.734 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.917 2.630 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.221 2.518 -6.152 1.00 0.00 H new ATOM 698 N VAL A 47 -0.355 1.753 -2.794 1.00 0.00 N ATOM 699 CA VAL A 47 0.295 1.131 -1.645 1.00 0.00 C ATOM 700 C VAL A 47 1.736 0.752 -1.944 1.00 0.00 C ATOM 701 O VAL A 47 2.002 -0.156 -2.731 1.00 0.00 O ATOM 702 CB VAL A 47 -0.450 -0.132 -1.163 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.444 -0.955 -0.243 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.743 0.247 -0.460 1.00 0.00 C ATOM 0 H VAL A 47 -0.350 1.189 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 47 0.271 1.884 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.702 -0.740 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.095 -1.843 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.342 -1.256 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.725 -0.356 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.254 -0.656 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.518 0.875 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.385 0.794 -1.150 1.00 0.00 H new ATOM 714 N SER A 48 2.657 1.433 -1.284 1.00 0.00 N ATOM 715 CA SER A 48 4.071 1.154 -1.446 1.00 0.00 C ATOM 716 C SER A 48 4.466 0.015 -0.517 1.00 0.00 C ATOM 717 O SER A 48 4.445 0.164 0.706 1.00 0.00 O ATOM 718 CB SER A 48 4.909 2.400 -1.138 1.00 0.00 C ATOM 719 OG SER A 48 4.083 3.489 -0.766 1.00 0.00 O ATOM 0 H SER A 48 2.448 2.186 -0.628 1.00 0.00 H new ATOM 0 HA SER A 48 4.260 0.866 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.611 2.180 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.501 2.670 -2.013 1.00 0.00 H new ATOM 0 HG SER A 48 4.583 4.326 -0.860 1.00 0.00 H new ATOM 725 N VAL A 49 4.807 -1.125 -1.100 1.00 0.00 N ATOM 726 CA VAL A 49 5.194 -2.293 -0.324 1.00 0.00 C ATOM 727 C VAL A 49 6.538 -2.826 -0.803 1.00 0.00 C ATOM 728 O VAL A 49 6.706 -3.125 -1.986 1.00 0.00 O ATOM 729 CB VAL A 49 4.134 -3.407 -0.426 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.734 -2.818 -0.365 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.324 -4.211 -1.702 1.00 0.00 C ATOM 0 H VAL A 49 4.823 -1.266 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 49 5.275 -1.985 0.718 1.00 0.00 H new ATOM 0 HB VAL A 49 4.259 -4.080 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.999 -3.619 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.602 -2.290 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.596 -2.122 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.566 -4.993 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.228 -3.552 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.315 -4.666 -1.701 1.00 0.00 H new ATOM 741 N PHE A 50 7.504 -2.925 0.106 1.00 0.00 N ATOM 742 CA PHE A 50 8.829 -3.405 -0.269 1.00 0.00 C ATOM 743 C PHE A 50 9.427 -4.347 0.777 1.00 0.00 C ATOM 744 O PHE A 50 9.228 -4.179 1.991 1.00 0.00 O ATOM 745 CB PHE A 50 9.761 -2.216 -0.533 1.00 0.00 C ATOM 746 CG PHE A 50 10.731 -1.923 0.573 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.379 -1.086 1.617 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.005 -2.468 0.554 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.278 -0.800 2.626 1.00 0.00 C ATOM 750 CE2 PHE A 50 12.909 -2.182 1.559 1.00 0.00 C ATOM 751 CZ PHE A 50 12.544 -1.348 2.596 1.00 0.00 C ATOM 0 H PHE A 50 7.397 -2.684 1.091 1.00 0.00 H new ATOM 0 HA PHE A 50 8.722 -3.987 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.321 -2.407 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.154 -1.328 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.391 -0.652 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.294 -3.123 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.990 -0.148 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.900 -2.611 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.249 -1.124 3.383 1.00 0.00 H new ATOM 761 N THR A 51 10.159 -5.348 0.278 1.00 0.00 N ATOM 762 CA THR A 51 10.801 -6.345 1.127 1.00 0.00 C ATOM 763 C THR A 51 12.179 -6.714 0.596 1.00 0.00 C ATOM 764 O THR A 51 12.298 -7.488 -0.352 1.00 0.00 O ATOM 765 CB THR A 51 9.946 -7.611 1.191 1.00 0.00 C ATOM 766 OG1 THR A 51 8.709 -7.363 1.829 1.00 0.00 O ATOM 767 CG2 THR A 51 10.627 -8.748 1.920 1.00 0.00 C ATOM 0 H THR A 51 10.320 -5.486 -0.720 1.00 0.00 H new ATOM 0 HA THR A 51 10.906 -5.912 2.122 1.00 0.00 H new ATOM 0 HB THR A 51 9.789 -7.904 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.126 -6.855 1.227 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.970 -9.618 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.556 -9.002 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.846 -8.445 2.944 1.00 0.00 H new ATOM 775 N LYS A 52 13.218 -6.175 1.220 1.00 0.00 N ATOM 776 CA LYS A 52 14.575 -6.480 0.805 1.00 0.00 C ATOM 777 C LYS A 52 14.628 -7.866 0.174 1.00 0.00 C ATOM 778 O LYS A 52 14.522 -8.884 0.858 1.00 0.00 O ATOM 779 CB LYS A 52 15.528 -6.409 2.000 1.00 0.00 C ATOM 780 CG LYS A 52 15.189 -5.301 2.983 1.00 0.00 C ATOM 781 CD LYS A 52 16.243 -5.183 4.072 1.00 0.00 C ATOM 782 CE LYS A 52 16.071 -6.257 5.134 1.00 0.00 C ATOM 783 NZ LYS A 52 15.347 -7.447 4.607 1.00 0.00 N ATOM 0 H LYS A 52 13.146 -5.531 2.008 1.00 0.00 H new ATOM 0 HA LYS A 52 14.889 -5.742 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.513 -7.365 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.544 -6.261 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.106 -4.353 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.217 -5.499 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.236 -5.264 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.180 -4.198 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.050 -6.562 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.524 -5.845 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.205 -8.135 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.423 -7.153 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.906 -7.886 3.848 1.00 0.00 H new ATOM 797 N ALA A 53 14.793 -7.887 -1.144 1.00 0.00 N ATOM 798 CA ALA A 53 14.860 -9.137 -1.885 1.00 0.00 C ATOM 799 C ALA A 53 15.367 -8.924 -3.308 1.00 0.00 C ATOM 800 O ALA A 53 16.423 -9.436 -3.681 1.00 0.00 O ATOM 801 CB ALA A 53 13.490 -9.796 -1.901 1.00 0.00 C ATOM 0 H ALA A 53 14.883 -7.050 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 53 15.572 -9.792 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.543 -10.732 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.172 -9.999 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.772 -9.130 -2.379 1.00 0.00 H new ATOM 899 N CYS A 60 13.403 -5.120 -2.274 1.00 0.00 N ATOM 900 CA CYS A 60 12.217 -5.340 -3.096 1.00 0.00 C ATOM 901 C CYS A 60 11.110 -4.342 -2.770 1.00 0.00 C ATOM 902 O CYS A 60 10.632 -4.279 -1.637 1.00 0.00 O ATOM 903 CB CYS A 60 11.699 -6.765 -2.901 1.00 0.00 C ATOM 904 SG CYS A 60 10.896 -7.468 -4.361 1.00 0.00 S ATOM 0 HA CYS A 60 12.507 -5.194 -4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.532 -7.406 -2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.991 -6.772 -2.072 1.00 0.00 H new ATOM 0 HG CYS A 60 10.495 -8.676 -4.096 1.00 0.00 H new ATOM 910 N ILE A 61 10.696 -3.574 -3.775 1.00 0.00 N ATOM 911 CA ILE A 61 9.633 -2.588 -3.603 1.00 0.00 C ATOM 912 C ILE A 61 8.494 -2.842 -4.583 1.00 0.00 C ATOM 913 O ILE A 61 8.723 -3.211 -5.735 1.00 0.00 O ATOM 914 CB ILE A 61 10.140 -1.149 -3.806 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.665 -1.096 -3.716 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.511 -0.220 -2.777 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.201 -1.471 -2.354 1.00 0.00 C ATOM 0 H ILE A 61 11.082 -3.616 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 61 9.277 -2.695 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 61 9.847 -0.816 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.089 -1.768 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.001 -0.090 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.878 0.795 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.427 -0.235 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.778 -0.554 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.289 -1.412 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.806 -0.784 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.895 -2.488 -2.110 1.00 0.00 H new ATOM 929 N LYS A 62 7.267 -2.639 -4.120 1.00 0.00 N ATOM 930 CA LYS A 62 6.092 -2.840 -4.956 1.00 0.00 C ATOM 931 C LYS A 62 5.019 -1.814 -4.630 1.00 0.00 C ATOM 932 O LYS A 62 4.790 -1.492 -3.465 1.00 0.00 O ATOM 933 CB LYS A 62 5.523 -4.243 -4.756 1.00 0.00 C ATOM 934 CG LYS A 62 4.804 -4.785 -5.981 1.00 0.00 C ATOM 935 CD LYS A 62 5.072 -6.269 -6.174 1.00 0.00 C ATOM 936 CE LYS A 62 4.420 -6.793 -7.442 1.00 0.00 C ATOM 937 NZ LYS A 62 2.981 -6.417 -7.522 1.00 0.00 N ATOM 0 H LYS A 62 7.060 -2.335 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 62 6.399 -2.721 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.334 -4.921 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.831 -4.229 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.732 -4.618 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.128 -4.238 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.147 -6.443 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.695 -6.823 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.947 -6.399 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.514 -7.878 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.483 -7.080 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.558 -6.457 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.895 -5.452 -7.899 1.00 0.00 H new ATOM 951 N HIS A 63 4.354 -1.309 -5.659 1.00 0.00 N ATOM 952 CA HIS A 63 3.303 -0.332 -5.463 1.00 0.00 C ATOM 953 C HIS A 63 1.939 -0.953 -5.736 1.00 0.00 C ATOM 954 O HIS A 63 1.587 -1.232 -6.882 1.00 0.00 O ATOM 955 CB HIS A 63 3.528 0.865 -6.384 1.00 0.00 C ATOM 956 CG HIS A 63 4.850 1.537 -6.177 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.334 1.914 -4.944 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.799 1.895 -7.078 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.535 2.479 -5.130 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.863 2.491 -6.408 1.00 0.00 N ATOM 0 H HIS A 63 4.525 -1.561 -6.632 1.00 0.00 H new ATOM 0 HA HIS A 63 3.328 0.005 -4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.455 0.535 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.731 1.591 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.738 1.742 -8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.154 2.873 -4.337 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.720 2.861 -6.820 1.00 0.00 H new ATOM 968 N TYR A 64 1.177 -1.162 -4.673 1.00 0.00 N ATOM 969 CA TYR A 64 -0.152 -1.746 -4.781 1.00 0.00 C ATOM 970 C TYR A 64 -1.227 -0.683 -4.675 1.00 0.00 C ATOM 971 O TYR A 64 -1.325 0.010 -3.664 1.00 0.00 O ATOM 972 CB TYR A 64 -0.357 -2.785 -3.690 1.00 0.00 C ATOM 973 CG TYR A 64 0.458 -4.022 -3.931 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.836 -3.991 -3.798 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.142 -5.211 -4.313 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.596 -5.110 -4.037 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.612 -6.341 -4.551 1.00 0.00 C ATOM 978 CZ TYR A 64 1.983 -6.287 -4.413 1.00 0.00 C ATOM 979 OH TYR A 64 2.741 -7.409 -4.651 1.00 0.00 O ATOM 0 H TYR A 64 1.459 -0.934 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.230 -2.222 -5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.087 -2.356 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.413 -3.051 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.321 -3.073 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.215 -5.254 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.670 -5.068 -3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.131 -7.263 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 64 2.155 -8.152 -4.905 1.00 0.00 H new ATOM 989 N HIS A 65 -2.045 -0.561 -5.708 1.00 0.00 N ATOM 990 CA HIS A 65 -3.115 0.414 -5.680 1.00 0.00 C ATOM 991 C HIS A 65 -4.332 -0.169 -5.007 1.00 0.00 C ATOM 992 O HIS A 65 -4.617 -1.359 -5.138 1.00 0.00 O ATOM 993 CB HIS A 65 -3.484 0.910 -7.070 1.00 0.00 C ATOM 994 CG HIS A 65 -3.714 2.374 -7.083 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.680 3.148 -5.954 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.982 3.208 -8.107 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.921 4.406 -6.315 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.112 4.502 -7.617 1.00 0.00 N ATOM 0 H HIS A 65 -1.988 -1.116 -6.562 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.752 1.271 -5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.687 0.660 -7.770 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.382 0.397 -7.414 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.502 2.819 -5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.080 2.917 -9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.956 5.241 -5.631 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.049 0.667 -4.284 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.240 0.198 -3.593 1.00 0.00 C ATOM 1008 C ILE A 66 -7.456 0.291 -4.503 1.00 0.00 C ATOM 1009 O ILE A 66 -7.972 1.375 -4.766 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.487 0.983 -2.289 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.209 1.706 -1.860 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.960 0.042 -1.191 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.249 0.842 -1.073 1.00 0.00 C ATOM 0 H ILE A 66 -4.837 1.657 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.076 -0.846 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.264 1.726 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.700 2.081 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.479 2.573 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.131 0.608 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.888 -0.439 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.200 -0.718 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.369 1.427 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.738 0.488 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.947 -0.012 -1.679 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.906 -0.861 -4.989 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.056 -0.917 -5.878 1.00 0.00 C ATOM 1027 C LYS A 67 -10.321 -0.505 -5.141 1.00 0.00 C ATOM 1028 O LYS A 67 -10.498 -0.849 -3.974 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.217 -2.324 -6.455 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.180 -2.395 -7.628 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.765 -1.452 -8.746 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.253 -1.328 -8.838 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.617 -2.602 -9.276 1.00 0.00 N ATOM 0 H LYS A 67 -7.490 -1.769 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.889 -0.219 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.241 -2.690 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.566 -2.992 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.219 -3.416 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.185 -2.142 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.160 -1.815 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.202 -0.468 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.996 -0.534 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.853 -1.038 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.862 -2.861 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.332 -3.357 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.212 -2.479 -10.226 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.188 0.237 -5.834 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.445 0.721 -5.260 1.00 0.00 C ATOM 1049 C GLU A 68 -13.641 0.098 -5.973 1.00 0.00 C ATOM 1050 O GLU A 68 -13.663 -0.002 -7.199 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.520 2.246 -5.386 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.140 2.992 -4.118 1.00 0.00 C ATOM 1053 CD GLU A 68 -10.795 2.563 -3.569 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.197 1.622 -4.128 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.337 3.173 -2.579 1.00 0.00 O ATOM 0 H GLU A 68 -11.040 0.518 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.473 0.435 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.862 2.566 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.534 2.527 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.120 4.062 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.906 2.827 -3.361 1.00 0.00 H new ATOM 1062 N THR A 69 -14.636 -0.317 -5.195 1.00 0.00 N ATOM 1063 CA THR A 69 -15.837 -0.927 -5.753 1.00 0.00 C ATOM 1064 C THR A 69 -17.078 -0.502 -4.973 1.00 0.00 C ATOM 1065 O THR A 69 -16.990 -0.125 -3.805 1.00 0.00 O ATOM 1066 CB THR A 69 -15.713 -2.452 -5.741 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.957 -3.054 -5.437 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.698 -2.961 -4.740 1.00 0.00 C ATOM 0 H THR A 69 -14.634 -0.242 -4.178 1.00 0.00 H new ATOM 0 HA THR A 69 -15.942 -0.585 -6.783 1.00 0.00 H new ATOM 0 HB THR A 69 -15.379 -2.723 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.857 -4.029 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.659 -4.049 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.716 -2.553 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.987 -2.647 -3.737 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.234 -0.566 -5.625 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.490 -0.188 -4.987 1.00 0.00 C ATOM 1078 C ASN A 70 -19.817 -1.135 -3.837 1.00 0.00 C ATOM 1079 O ASN A 70 -20.906 -1.707 -3.779 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.629 -0.195 -6.009 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.690 1.087 -6.816 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.683 1.774 -6.988 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.875 1.415 -7.316 1.00 0.00 N ATOM 0 H ASN A 70 -18.327 -0.875 -6.592 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.379 0.820 -4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.502 -1.041 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.577 -0.341 -5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.978 2.267 -7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.683 0.816 -7.148 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.917 -4.398 -0.047 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.517 -3.016 0.212 1.00 0.00 C ATOM 1129 C LYS A 74 -16.044 -2.302 -1.054 1.00 0.00 C ATOM 1130 O LYS A 74 -16.375 -2.702 -2.170 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.433 -2.974 1.289 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.991 -2.805 2.691 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.248 -4.148 3.354 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.960 -4.769 3.865 1.00 0.00 C ATOM 1135 NZ LYS A 74 -14.861 -6.212 3.512 1.00 0.00 N ATOM 0 HA LYS A 74 -17.398 -2.483 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.850 -3.894 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.749 -2.153 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.291 -2.228 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.920 -2.236 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.945 -4.019 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.721 -4.823 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.108 -4.234 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.907 -4.656 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.459 -6.739 4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.808 -6.582 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.246 -6.325 2.681 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.304 -1.210 -0.870 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.827 -0.412 -1.991 1.00 0.00 C ATOM 1151 C ARG A 75 -13.377 -0.693 -2.359 1.00 0.00 C ATOM 1152 O ARG A 75 -13.087 -1.135 -3.471 1.00 0.00 O ATOM 1153 CB ARG A 75 -14.976 1.071 -1.670 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.251 1.670 -2.220 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.091 2.090 -3.673 1.00 0.00 C ATOM 1156 NE ARG A 75 -15.380 3.358 -3.799 1.00 0.00 N ATOM 1157 CZ ARG A 75 -15.685 4.287 -4.700 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -16.684 4.087 -5.549 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -14.992 5.416 -4.752 1.00 0.00 N ATOM 0 H ARG A 75 -15.023 -0.860 0.046 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.439 -0.691 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.954 1.207 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.122 1.613 -2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.060 0.944 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.536 2.534 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.551 1.315 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.074 2.178 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.606 3.542 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.219 3.220 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.917 4.801 -6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.223 5.573 -4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.227 6.128 -5.444 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.466 -0.374 -1.451 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.046 -0.527 -1.726 1.00 0.00 C ATOM 1175 C TYR A 76 -10.556 -1.960 -1.580 1.00 0.00 C ATOM 1176 O TYR A 76 -10.991 -2.702 -0.701 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.246 0.405 -0.828 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.918 1.739 -0.666 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.062 2.034 -1.388 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.419 2.696 0.199 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.698 3.244 -1.256 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.050 3.919 0.343 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.191 4.188 -0.387 1.00 0.00 C ATOM 1184 OH TYR A 76 -12.822 5.403 -0.249 1.00 0.00 O ATOM 0 H TYR A 76 -12.683 -0.010 -0.523 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.893 -0.259 -2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.115 -0.057 0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.251 0.548 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.462 1.297 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.526 2.486 0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.589 3.455 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.653 4.659 1.022 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.337 5.951 0.403 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.632 -2.321 -2.461 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.036 -3.660 -2.471 1.00 0.00 C ATOM 1196 C TYR A 77 -7.927 -3.762 -3.520 1.00 0.00 C ATOM 1197 O TYR A 77 -7.949 -3.056 -4.528 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.103 -4.718 -2.748 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.500 -4.804 -4.200 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.324 -3.840 -4.764 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -10.053 -5.844 -5.007 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.695 -3.905 -6.091 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.420 -5.917 -6.339 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.241 -4.945 -6.875 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.607 -5.014 -8.200 1.00 0.00 O ATOM 0 H TYR A 77 -9.273 -1.701 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.601 -3.837 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.733 -5.690 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.987 -4.497 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.681 -3.024 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.411 -6.605 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.337 -3.146 -6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.066 -6.730 -6.956 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.897 -5.453 -8.713 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.962 -4.651 -3.280 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.850 -4.846 -4.211 1.00 0.00 C ATOM 1217 C VAL A 78 -5.658 -6.317 -4.550 1.00 0.00 C ATOM 1218 O VAL A 78 -4.784 -6.977 -3.988 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.519 -4.330 -3.639 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.606 -2.854 -3.290 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.111 -5.160 -2.432 1.00 0.00 C ATOM 0 H VAL A 78 -6.928 -5.245 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.114 -4.280 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.750 -4.436 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.650 -2.518 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.844 -2.282 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.387 -2.702 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.167 -4.786 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.881 -5.089 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.992 -6.202 -2.730 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.458 -6.826 -5.475 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.344 -8.220 -5.880 1.00 0.00 C ATOM 1233 C ALA A 79 -7.701 -8.912 -5.893 1.00 0.00 C ATOM 1234 O ALA A 79 -7.784 -10.125 -5.703 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.391 -8.965 -4.951 1.00 0.00 C ATOM 0 H ALA A 79 -7.188 -6.300 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.946 -8.237 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.316 -10.006 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.406 -8.501 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.770 -8.921 -3.930 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.768 -8.146 -6.097 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.103 -8.727 -6.098 1.00 0.00 C ATOM 1243 C GLU A 80 -10.206 -9.707 -4.941 1.00 0.00 C ATOM 1244 O GLU A 80 -11.016 -10.633 -4.950 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.382 -9.438 -7.425 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.682 -8.489 -8.573 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.454 -8.181 -9.409 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.705 -9.126 -9.734 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.242 -6.995 -9.739 1.00 0.00 O ATOM 0 H GLU A 80 -8.736 -7.140 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.845 -7.937 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.520 -10.051 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.226 -10.115 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.451 -8.926 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.089 -7.559 -8.175 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.347 -9.486 -3.955 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.275 -10.325 -2.770 1.00 0.00 C ATOM 1258 C LYS A 81 -10.210 -9.836 -1.675 1.00 0.00 C ATOM 1259 O LYS A 81 -11.299 -10.373 -1.471 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.855 -10.304 -2.217 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.786 -10.776 -3.180 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.401 -10.556 -2.592 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.923 -11.783 -1.832 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.588 -11.468 -0.416 1.00 0.00 N ATOM 0 H LYS A 81 -8.678 -8.716 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.570 -11.332 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.618 -9.287 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.820 -10.928 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.929 -11.834 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.876 -10.238 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.697 -10.323 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.420 -9.696 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.697 -12.550 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.046 -12.198 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.685 -11.918 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.506 -10.438 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.339 -11.828 0.207 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.747 -8.817 -0.960 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.493 -8.235 0.142 1.00 0.00 C ATOM 1280 C TYR A 82 -10.762 -6.763 -0.109 1.00 0.00 C ATOM 1281 O TYR A 82 -9.834 -5.980 -0.317 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.705 -8.385 1.446 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.862 -9.638 1.515 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.939 -9.931 0.522 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.988 -10.525 2.575 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.166 -11.070 0.580 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.217 -11.669 2.642 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.307 -11.938 1.641 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.536 -13.076 1.703 1.00 0.00 O ATOM 0 H TYR A 82 -8.844 -8.374 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.444 -8.762 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.058 -7.517 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.403 -8.383 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.824 -9.254 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.700 -10.317 3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.453 -11.282 -0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.326 -12.349 3.474 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.758 -13.578 2.515 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.028 -6.384 -0.076 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.396 -4.998 -0.287 1.00 0.00 C ATOM 1301 C VAL A 83 -12.730 -4.329 1.033 1.00 0.00 C ATOM 1302 O VAL A 83 -13.250 -4.963 1.949 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.584 -4.860 -1.250 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.633 -3.457 -1.835 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.496 -5.905 -2.352 1.00 0.00 C ATOM 0 H VAL A 83 -12.813 -7.013 0.094 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.536 -4.504 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.506 -5.028 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.481 -3.376 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.743 -2.731 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.710 -3.257 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.345 -5.795 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.569 -5.769 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.511 -6.901 -1.911 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.410 -3.048 1.126 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.656 -2.290 2.340 1.00 0.00 C ATOM 1317 C PHE A 84 -13.077 -0.864 2.014 1.00 0.00 C ATOM 1318 O PHE A 84 -12.962 -0.413 0.872 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.401 -2.303 3.213 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.740 -3.652 3.254 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.924 -4.068 2.213 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.946 -4.509 4.323 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.328 -5.315 2.239 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.349 -5.756 4.355 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.540 -6.160 3.311 1.00 0.00 C ATOM 0 H PHE A 84 -11.979 -2.512 0.373 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.474 -2.756 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.692 -1.566 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.665 -2.001 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.752 -3.411 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.580 -4.200 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.696 -5.629 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.515 -6.413 5.196 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.074 -7.134 3.333 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.570 -0.164 3.024 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.018 1.211 2.856 1.00 0.00 C ATOM 1337 C ASP A 85 -12.934 2.180 3.295 1.00 0.00 C ATOM 1338 O ASP A 85 -13.200 3.353 3.562 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.296 1.456 3.661 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.547 1.103 2.881 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.616 1.446 1.682 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.459 0.483 3.468 1.00 0.00 O ATOM 0 H ASP A 85 -13.670 -0.527 3.972 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.229 1.377 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.264 0.866 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.340 2.504 3.958 1.00 0.00 H new ATOM 1347 N SER A 86 -11.707 1.680 3.367 1.00 0.00 N ATOM 1348 CA SER A 86 -10.576 2.496 3.772 1.00 0.00 C ATOM 1349 C SER A 86 -9.260 1.766 3.538 1.00 0.00 C ATOM 1350 O SER A 86 -9.095 0.592 3.909 1.00 0.00 O ATOM 1351 CB SER A 86 -10.702 2.886 5.244 1.00 0.00 C ATOM 1352 OG SER A 86 -10.743 4.294 5.397 1.00 0.00 O ATOM 0 H SER A 86 -11.472 0.712 3.149 1.00 0.00 H new ATOM 0 HA SER A 86 -10.579 3.399 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.606 2.445 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.859 2.481 5.804 1.00 0.00 H new ATOM 0 HG SER A 86 -10.826 4.517 6.348 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.317 2.469 2.927 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.020 1.891 2.655 1.00 0.00 C ATOM 1360 C ILE A 87 -6.424 1.328 3.928 1.00 0.00 C ATOM 1361 O ILE A 87 -5.947 0.202 3.938 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.039 2.913 2.056 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.002 2.786 0.535 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.647 2.701 2.636 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.328 3.068 -0.143 1.00 0.00 C ATOM 0 H ILE A 87 -8.429 3.433 2.614 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.174 1.098 1.923 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.379 3.917 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.252 3.473 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.680 1.778 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.959 3.429 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.680 2.828 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.304 1.694 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.216 2.956 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.078 2.365 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.644 4.086 0.086 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.443 2.096 5.032 1.00 0.00 N ATOM 1378 CA PRO A 88 -5.892 1.628 6.298 1.00 0.00 C ATOM 1379 C PRO A 88 -6.481 0.279 6.669 1.00 0.00 C ATOM 1380 O PRO A 88 -5.747 -0.677 6.911 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.311 2.703 7.308 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.310 3.560 6.598 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.993 3.450 5.135 1.00 0.00 C ATOM 0 HA PRO A 88 -4.811 1.489 6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.746 2.253 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.452 3.290 7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.326 3.223 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.243 4.595 6.934 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.882 3.575 4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.274 4.205 4.817 1.00 0.00 H new ATOM 1391 N LEU A 89 -7.807 0.180 6.636 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.457 -1.094 6.908 1.00 0.00 C ATOM 1393 C LEU A 89 -7.926 -2.086 5.897 1.00 0.00 C ATOM 1394 O LEU A 89 -7.401 -3.154 6.241 1.00 0.00 O ATOM 1395 CB LEU A 89 -9.988 -0.999 6.792 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.541 0.308 6.215 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.757 0.027 5.347 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -10.890 1.277 7.335 1.00 0.00 C ATOM 0 H LEU A 89 -8.441 0.952 6.428 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.240 -1.403 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.337 -1.823 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.417 -1.145 7.783 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.774 0.769 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.140 0.964 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.474 -0.633 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.530 -0.452 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.281 2.200 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.643 0.829 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.995 1.497 7.918 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.027 -1.684 4.637 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.527 -2.485 3.541 1.00 0.00 C ATOM 1412 C LEU A 90 -6.028 -2.707 3.717 1.00 0.00 C ATOM 1413 O LEU A 90 -5.471 -3.701 3.255 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.809 -1.772 2.228 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.374 -2.524 0.972 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.263 -2.153 -0.204 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.915 -2.229 0.654 1.00 0.00 C ATOM 0 H LEU A 90 -8.454 -0.802 4.353 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.026 -3.454 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.879 -1.576 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.308 -0.804 2.244 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.476 -3.593 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.939 -2.698 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.296 -2.413 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.192 -1.081 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.621 -2.773 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.788 -1.159 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.290 -2.544 1.490 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.391 -1.764 4.412 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.964 -1.833 4.686 1.00 0.00 C ATOM 1431 C ILE A 91 -3.713 -2.823 5.806 1.00 0.00 C ATOM 1432 O ILE A 91 -2.897 -3.736 5.673 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.390 -0.452 5.080 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.402 0.485 3.879 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.969 -0.587 5.605 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.888 -0.169 2.624 1.00 0.00 C ATOM 0 H ILE A 91 -5.850 -0.938 4.796 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.461 -2.158 3.775 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.018 -0.038 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.419 0.838 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.794 1.362 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.586 0.397 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.965 -1.232 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.336 -1.023 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.920 0.546 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.860 -0.497 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.511 -1.030 2.381 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.438 -2.652 6.906 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.315 -3.536 8.029 1.00 0.00 C ATOM 1450 C GLN A 92 -4.749 -4.937 7.643 1.00 0.00 C ATOM 1451 O GLN A 92 -4.172 -5.922 8.105 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.153 -3.012 9.181 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.299 -2.112 8.766 1.00 0.00 C ATOM 1454 CD GLN A 92 -5.987 -0.656 9.039 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -6.857 0.118 9.436 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -4.729 -0.277 8.824 1.00 0.00 N ATOM 0 H GLN A 92 -5.117 -1.901 7.031 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.272 -3.579 8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.556 -3.860 9.736 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.505 -2.463 9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.504 -2.248 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.202 -2.399 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.041 -0.955 8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.453 0.691 8.989 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.756 -5.032 6.775 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.219 -6.334 6.330 1.00 0.00 C ATOM 1467 C TYR A 93 -5.076 -7.071 5.656 1.00 0.00 C ATOM 1468 O TYR A 93 -4.851 -8.251 5.920 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.395 -6.198 5.373 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.103 -6.719 3.988 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.959 -8.081 3.745 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.980 -5.848 2.918 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.704 -8.553 2.472 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.723 -6.312 1.648 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.587 -7.665 1.428 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.340 -8.135 0.160 1.00 0.00 O ATOM 0 H TYR A 93 -6.255 -4.237 6.376 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.558 -6.901 7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.251 -6.735 5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.680 -5.148 5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.048 -8.780 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.088 -4.786 3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.597 -9.613 2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.628 -5.617 0.826 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.393 -9.114 0.158 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.324 -6.365 4.808 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.187 -6.982 4.152 1.00 0.00 C ATOM 1488 C HIS A 94 -2.059 -7.111 5.167 1.00 0.00 C ATOM 1489 O HIS A 94 -1.319 -8.092 5.176 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.740 -6.162 2.939 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.104 -6.773 1.626 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.256 -6.450 0.948 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.467 -7.694 0.865 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.321 -7.149 -0.168 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.245 -7.911 -0.244 1.00 0.00 N ATOM 0 H HIS A 94 -4.483 -5.386 4.568 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.467 -7.969 3.784 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.184 -5.168 3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.659 -6.031 2.980 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.953 -5.774 1.260 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.523 -8.169 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.118 -7.106 -0.896 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.965 -6.122 6.053 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.956 -6.137 7.103 1.00 0.00 C ATOM 1506 C GLN A 95 -0.968 -7.495 7.793 1.00 0.00 C ATOM 1507 O GLN A 95 0.077 -8.090 8.055 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.249 -5.048 8.142 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.653 -3.690 7.810 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.722 -2.725 8.977 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.826 -3.136 10.133 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.666 -1.432 8.680 1.00 0.00 N ATOM 0 H GLN A 95 -2.574 -5.304 6.063 1.00 0.00 H new ATOM 0 HA GLN A 95 0.020 -5.950 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.329 -4.942 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.866 -5.373 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.387 -3.817 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.182 -3.263 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.580 -1.135 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.709 -0.736 9.424 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.177 -7.966 8.085 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.378 -9.245 8.750 1.00 0.00 C ATOM 1523 C TYR A 96 -2.880 -10.303 7.772 1.00 0.00 C ATOM 1524 O TYR A 96 -2.097 -11.070 7.211 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.386 -9.076 9.887 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.781 -8.510 11.149 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.184 -7.258 11.147 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.807 -9.224 12.339 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -1.628 -6.730 12.294 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.252 -8.703 13.493 1.00 0.00 C ATOM 1531 CZ TYR A 96 -1.664 -7.456 13.466 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.111 -6.934 14.612 1.00 0.00 O ATOM 0 H TYR A 96 -3.042 -7.471 7.867 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.420 -9.578 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.191 -8.421 9.554 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.835 -10.044 10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.154 -6.686 10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.267 -10.201 12.364 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.167 -5.753 12.274 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.279 -9.270 14.412 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.221 -7.571 15.348 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.195 -10.339 7.579 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.818 -11.302 6.677 1.00 0.00 C ATOM 1544 C ASN A 97 -3.912 -11.621 5.493 1.00 0.00 C ATOM 1545 O ASN A 97 -2.947 -10.904 5.224 1.00 0.00 O ATOM 1546 CB ASN A 97 -6.160 -10.765 6.176 1.00 0.00 C ATOM 1547 CG ASN A 97 -7.113 -10.438 7.309 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.947 -9.258 7.898 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -7.986 -11.234 7.651 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.853 -9.709 8.038 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.983 -12.223 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.989 -9.869 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.621 -11.503 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.077 -12.129 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.619 -10.999 8.415 1.00 0.00 H new ATOM 1556 N GLY A 98 -4.232 -12.701 4.788 1.00 0.00 N ATOM 1557 CA GLY A 98 -3.441 -13.100 3.638 1.00 0.00 C ATOM 1558 C GLY A 98 -2.782 -11.920 2.952 1.00 0.00 C ATOM 1559 O GLY A 98 -1.634 -11.588 3.244 1.00 0.00 O ATOM 0 H GLY A 98 -5.026 -13.308 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.674 -13.807 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.079 -13.621 2.925 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.510 -11.286 2.038 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.966 -10.144 1.328 1.00 0.00 C ATOM 1565 C GLY A 99 -1.779 -10.514 0.455 1.00 0.00 C ATOM 1566 O GLY A 99 -0.701 -10.819 0.964 1.00 0.00 O ATOM 0 H GLY A 99 -4.463 -11.541 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.745 -9.701 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.661 -9.384 2.048 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.979 -10.493 -0.861 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.906 -10.834 -1.780 1.00 0.00 C ATOM 1572 C GLY A 100 -0.181 -9.613 -2.309 1.00 0.00 C ATOM 1573 O GLY A 100 -0.287 -9.281 -3.489 1.00 0.00 O ATOM 0 H GLY A 100 -2.863 -10.246 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.193 -11.485 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.316 -11.400 -2.617 1.00 0.00 H new ATOM 1577 N LEU A 101 0.558 -8.944 -1.431 1.00 0.00 N ATOM 1578 CA LEU A 101 1.304 -7.748 -1.806 1.00 0.00 C ATOM 1579 C LEU A 101 2.780 -7.902 -1.467 1.00 0.00 C ATOM 1580 O LEU A 101 3.296 -7.199 -0.600 1.00 0.00 O ATOM 1581 CB LEU A 101 0.746 -6.532 -1.071 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.674 -6.135 -1.461 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.472 -7.351 -1.903 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -1.365 -5.428 -0.305 1.00 0.00 C ATOM 0 H LEU A 101 0.657 -9.211 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 101 1.200 -7.609 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.769 -6.732 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.406 -5.684 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.618 -5.444 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.482 -7.044 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.987 -7.811 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.520 -8.071 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.377 -5.152 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.408 -6.095 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.806 -4.530 -0.041 1.00 0.00 H new ATOM 1596 N VAL A 102 3.456 -8.832 -2.131 1.00 0.00 N ATOM 1597 CA VAL A 102 4.867 -9.066 -1.858 1.00 0.00 C ATOM 1598 C VAL A 102 5.035 -9.586 -0.440 1.00 0.00 C ATOM 1599 O VAL A 102 6.055 -10.180 -0.091 1.00 0.00 O ATOM 1600 CB VAL A 102 5.691 -7.774 -2.010 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.159 -6.934 -3.161 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.684 -6.977 -0.710 1.00 0.00 C ATOM 0 H VAL A 102 3.055 -9.430 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 102 5.228 -9.799 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 102 6.722 -8.047 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.754 -6.025 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.222 -7.505 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.119 -6.669 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.271 -6.068 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.659 -6.713 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.117 -7.580 0.089 1.00 0.00 H new ATOM 1612 N THR A 103 4.013 -9.341 0.371 1.00 0.00 N ATOM 1613 CA THR A 103 4.005 -9.757 1.763 1.00 0.00 C ATOM 1614 C THR A 103 2.998 -8.915 2.531 1.00 0.00 C ATOM 1615 O THR A 103 3.161 -8.656 3.725 1.00 0.00 O ATOM 1616 CB THR A 103 5.398 -9.610 2.378 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.320 -9.566 3.792 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.129 -8.365 1.920 1.00 0.00 C ATOM 0 H THR A 103 3.168 -8.849 0.080 1.00 0.00 H new ATOM 0 HA THR A 103 3.720 -10.808 1.820 1.00 0.00 H new ATOM 0 HB THR A 103 5.955 -10.483 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.411 -9.797 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.109 -8.324 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.251 -8.392 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.554 -7.482 2.198 1.00 0.00 H new ATOM 1626 N ARG A 104 1.959 -8.480 1.824 1.00 0.00 N ATOM 1627 CA ARG A 104 0.919 -7.655 2.413 1.00 0.00 C ATOM 1628 C ARG A 104 1.533 -6.556 3.271 1.00 0.00 C ATOM 1629 O ARG A 104 2.755 -6.440 3.359 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.028 -8.516 3.241 1.00 0.00 C ATOM 1631 CG ARG A 104 0.652 -9.206 4.410 1.00 0.00 C ATOM 1632 CD ARG A 104 -0.261 -10.233 5.061 1.00 0.00 C ATOM 1633 NE ARG A 104 0.283 -11.584 4.970 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.048 -12.134 5.907 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.357 -11.449 7.000 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.505 -13.370 5.752 1.00 0.00 N ATOM 0 H ARG A 104 1.818 -8.689 0.836 1.00 0.00 H new ATOM 0 HA ARG A 104 0.350 -7.184 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.838 -7.892 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.480 -9.270 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.563 -9.695 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.950 -8.462 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.411 -9.972 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.240 -10.203 4.582 1.00 0.00 H new ATOM 0 HE ARG A 104 0.064 -12.137 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.007 -10.499 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.944 -11.873 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.269 -13.899 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.092 -13.791 6.472 1.00 0.00 H new ATOM 1650 N LEU A 105 0.686 -5.746 3.899 1.00 0.00 N ATOM 1651 CA LEU A 105 1.168 -4.659 4.739 1.00 0.00 C ATOM 1652 C LEU A 105 2.050 -5.188 5.862 1.00 0.00 C ATOM 1653 O LEU A 105 1.722 -5.055 7.040 1.00 0.00 O ATOM 1654 CB LEU A 105 -0.004 -3.854 5.313 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.817 -3.088 4.286 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.104 -2.371 3.340 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.730 -4.012 3.521 1.00 0.00 C ATOM 0 H LEU A 105 -0.330 -5.822 3.842 1.00 0.00 H new ATOM 0 HA LEU A 105 1.769 -3.996 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.668 -4.535 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.384 -3.148 6.047 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.435 -2.359 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.485 -1.823 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.728 -1.673 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.738 -3.096 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.301 -3.437 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.135 -4.765 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.415 -4.502 4.213 1.00 0.00 H new ATOM 1669 N ARG A 106 3.179 -5.786 5.487 1.00 0.00 N ATOM 1670 CA ARG A 106 4.110 -6.328 6.467 1.00 0.00 C ATOM 1671 C ARG A 106 4.498 -5.259 7.483 1.00 0.00 C ATOM 1672 O ARG A 106 4.513 -5.508 8.688 1.00 0.00 O ATOM 1673 CB ARG A 106 5.360 -6.863 5.768 1.00 0.00 C ATOM 1674 CG ARG A 106 5.625 -8.335 6.036 1.00 0.00 C ATOM 1675 CD ARG A 106 6.293 -8.548 7.386 1.00 0.00 C ATOM 1676 NE ARG A 106 6.181 -7.373 8.246 1.00 0.00 N ATOM 1677 CZ ARG A 106 5.984 -7.440 9.559 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.875 -8.618 10.157 1.00 0.00 N ATOM 1679 NH2 ARG A 106 5.897 -6.327 10.276 1.00 0.00 N ATOM 0 H ARG A 106 3.468 -5.906 4.516 1.00 0.00 H new ATOM 0 HA ARG A 106 3.620 -7.147 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.258 -6.711 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.224 -6.282 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.685 -8.886 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.259 -8.740 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.839 -9.405 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.346 -8.787 7.235 1.00 0.00 H new ATOM 0 HE ARG A 106 6.258 -6.451 7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.942 -9.476 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.724 -8.666 11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.981 -5.419 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.746 -6.380 11.283 1.00 0.00 H new ATOM 1693 N TYR A 107 4.806 -4.067 6.983 1.00 0.00 N ATOM 1694 CA TYR A 107 5.191 -2.953 7.842 1.00 0.00 C ATOM 1695 C TYR A 107 5.148 -1.631 7.086 1.00 0.00 C ATOM 1696 O TYR A 107 6.051 -1.325 6.308 1.00 0.00 O ATOM 1697 CB TYR A 107 6.596 -3.157 8.398 1.00 0.00 C ATOM 1698 CG TYR A 107 6.992 -2.070 9.364 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.594 -2.123 10.691 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.742 -0.982 8.945 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.934 -1.123 11.576 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.091 0.022 9.826 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.684 -0.051 11.141 1.00 0.00 C ATOM 1704 OH TYR A 107 8.027 0.949 12.021 1.00 0.00 O ATOM 0 H TYR A 107 4.797 -3.847 5.987 1.00 0.00 H new ATOM 0 HA TYR A 107 4.474 -2.919 8.663 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.649 -4.123 8.900 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.310 -3.186 7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.008 -2.962 11.037 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.058 -0.919 7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.614 -1.179 12.606 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.680 0.861 9.486 1.00 0.00 H new ATOM 0 HH TYR A 107 7.671 1.804 11.700 1.00 0.00 H new ATOM 1714 N PRO A 108 4.110 -0.817 7.320 1.00 0.00 N ATOM 1715 CA PRO A 108 3.975 0.485 6.670 1.00 0.00 C ATOM 1716 C PRO A 108 5.252 1.306 6.803 1.00 0.00 C ATOM 1717 O PRO A 108 6.011 1.140 7.759 1.00 0.00 O ATOM 1718 CB PRO A 108 2.810 1.150 7.418 1.00 0.00 C ATOM 1719 CG PRO A 108 2.578 0.306 8.627 1.00 0.00 C ATOM 1720 CD PRO A 108 2.999 -1.079 8.240 1.00 0.00 C ATOM 0 HA PRO A 108 3.794 0.400 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.056 2.175 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.918 1.195 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.158 0.669 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.530 0.328 8.925 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.314 -1.665 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.192 -1.630 7.758 1.00 0.00 H new ATOM 1728 N VAL A 109 5.501 2.173 5.830 1.00 0.00 N ATOM 1729 CA VAL A 109 6.693 2.994 5.826 1.00 0.00 C ATOM 1730 C VAL A 109 6.371 4.415 5.381 1.00 0.00 C ATOM 1731 O VAL A 109 5.405 4.642 4.652 1.00 0.00 O ATOM 1732 CB VAL A 109 7.746 2.397 4.880 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.801 3.193 3.589 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.105 2.335 5.553 1.00 0.00 C ATOM 0 H VAL A 109 4.885 2.322 5.031 1.00 0.00 H new ATOM 0 HA VAL A 109 7.086 3.020 6.843 1.00 0.00 H new ATOM 0 HB VAL A 109 7.457 1.375 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.551 2.761 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.826 3.164 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.065 4.227 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.833 1.909 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.417 3.340 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.041 1.711 6.445 1.00 0.00 H new ATOM 1744 N CYS A 110 7.185 5.367 5.816 1.00 0.00 N ATOM 1745 CA CYS A 110 6.979 6.761 5.451 1.00 0.00 C ATOM 1746 C CYS A 110 8.313 7.465 5.234 1.00 0.00 C ATOM 1747 O CYS A 110 8.872 8.062 6.154 1.00 0.00 O ATOM 1748 CB CYS A 110 6.169 7.477 6.532 1.00 0.00 C ATOM 1749 SG CYS A 110 6.698 9.177 6.850 1.00 0.00 S ATOM 0 H CYS A 110 7.990 5.200 6.419 1.00 0.00 H new ATOM 0 HA CYS A 110 6.420 6.792 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.119 7.484 6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.238 6.907 7.459 1.00 0.00 H new ATOM 0 HG CYS A 110 7.997 9.237 6.838 1.00 0.00 H new ATOM 1755 N GLY A 111 8.815 7.388 4.008 1.00 0.00 N ATOM 1756 CA GLY A 111 10.080 8.020 3.682 1.00 0.00 C ATOM 1757 C GLY A 111 10.445 9.124 4.655 1.00 0.00 C ATOM 1758 O GLY A 111 9.574 9.854 5.129 1.00 0.00 O ATOM 0 H GLY A 111 8.368 6.899 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.868 7.267 3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 111 10.028 8.431 2.674 1.00 0.00 H new