USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 60 SER OG : rot -122:sc= 1.03 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.995 K(o=2,f=-1.2) USER MOD Set 2.1: A 55 SER OG : rot 57:sc= 0.956 USER MOD Set 2.2: A 83 THR OG1 : rot 131:sc= 0.848 USER MOD Set 3.1: A 29 MET CE :methyl 145:sc= -0.173 (180deg=-0.0514) USER MOD Set 3.2: A 32 THR OG1 : rot 140:sc= -0.0229 USER MOD Set 4.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.5) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0581) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.0071) USER MOD Single : A 34 SER OG : rot 160:sc= -2.7 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -57:sc= 0.937 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl -179:sc= -0.522 (180deg=-0.527) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 66 HIS : no HE2:sc= -5.92! C(o=-5.9!,f=-12!) USER MOD Single : A 70 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.7!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -16:sc= 0.352 USER MOD Single : A 82 MET CE :methyl 179:sc= -2.1 (180deg=-2.12) USER MOD Single : A 85 GLN : amide:sc= -2.32 K(o=-2.3,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.339 -5.482 13.981 1.00 0.00 N ATOM 60 CA GLY A 7 -2.948 -5.622 14.376 1.00 0.00 C ATOM 61 C GLY A 7 -2.032 -4.817 13.451 1.00 0.00 C ATOM 62 O GLY A 7 -2.311 -4.680 12.261 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.822 -5.282 15.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.663 -6.674 14.351 1.00 0.00 H new ATOM 66 N SER A 8 -0.957 -4.306 14.034 1.00 0.00 N ATOM 67 CA SER A 8 0.002 -3.519 13.277 1.00 0.00 C ATOM 68 C SER A 8 1.134 -4.417 12.773 1.00 0.00 C ATOM 69 O SER A 8 1.275 -5.554 13.220 1.00 0.00 O ATOM 70 CB SER A 8 0.567 -2.377 14.123 1.00 0.00 C ATOM 71 OG SER A 8 1.411 -2.853 15.168 1.00 0.00 O ATOM 0 H SER A 8 -0.729 -4.422 15.021 1.00 0.00 H new ATOM 0 HA SER A 8 -0.514 -3.081 12.422 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.130 -1.697 13.484 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.254 -1.804 14.553 1.00 0.00 H new ATOM 0 HG SER A 8 1.753 -2.093 15.684 1.00 0.00 H new ATOM 77 N VAL A 9 1.912 -3.871 11.850 1.00 0.00 N ATOM 78 CA VAL A 9 3.028 -4.608 11.281 1.00 0.00 C ATOM 79 C VAL A 9 4.190 -3.648 11.024 1.00 0.00 C ATOM 80 O VAL A 9 3.990 -2.438 10.927 1.00 0.00 O ATOM 81 CB VAL A 9 2.576 -5.351 10.022 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.561 -4.523 9.232 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.774 -5.729 9.149 1.00 0.00 C ATOM 0 H VAL A 9 1.792 -2.927 11.482 1.00 0.00 H new ATOM 0 HA VAL A 9 3.382 -5.366 11.980 1.00 0.00 H new ATOM 0 HB VAL A 9 2.085 -6.273 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.256 -5.074 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.688 -4.327 9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.015 -3.577 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.425 -6.256 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.306 -4.826 8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.446 -6.375 9.714 1.00 0.00 H new ATOM 93 N SER A 10 5.379 -4.222 10.920 1.00 0.00 N ATOM 94 CA SER A 10 6.574 -3.432 10.676 1.00 0.00 C ATOM 95 C SER A 10 7.420 -4.087 9.583 1.00 0.00 C ATOM 96 O SER A 10 7.797 -5.252 9.699 1.00 0.00 O ATOM 97 CB SER A 10 7.396 -3.266 11.956 1.00 0.00 C ATOM 98 OG SER A 10 8.577 -2.500 11.736 1.00 0.00 O ATOM 0 H SER A 10 5.541 -5.226 11.000 1.00 0.00 H new ATOM 0 HA SER A 10 6.266 -2.441 10.343 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.786 -2.781 12.718 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.668 -4.248 12.342 1.00 0.00 H new ATOM 0 HG SER A 10 9.073 -2.415 12.577 1.00 0.00 H new ATOM 104 N LEU A 11 7.695 -3.309 8.546 1.00 0.00 N ATOM 105 CA LEU A 11 8.490 -3.800 7.433 1.00 0.00 C ATOM 106 C LEU A 11 9.849 -3.097 7.434 1.00 0.00 C ATOM 107 O LEU A 11 9.956 -1.945 7.853 1.00 0.00 O ATOM 108 CB LEU A 11 7.722 -3.650 6.118 1.00 0.00 C ATOM 109 CG LEU A 11 6.404 -4.421 6.020 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.817 -4.326 4.611 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.583 -5.872 6.471 1.00 0.00 C ATOM 0 H LEU A 11 7.382 -2.343 8.453 1.00 0.00 H new ATOM 0 HA LEU A 11 8.682 -4.867 7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.514 -2.592 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.370 -3.972 5.303 1.00 0.00 H new ATOM 0 HG LEU A 11 5.687 -3.960 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.881 -4.882 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.629 -3.281 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.522 -4.747 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.631 -6.398 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.322 -6.362 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.923 -5.892 7.506 1.00 0.00 H new ATOM 123 N VAL A 12 10.854 -3.820 6.961 1.00 0.00 N ATOM 124 CA VAL A 12 12.202 -3.280 6.902 1.00 0.00 C ATOM 125 C VAL A 12 12.641 -3.176 5.440 1.00 0.00 C ATOM 126 O VAL A 12 12.934 -4.186 4.803 1.00 0.00 O ATOM 127 CB VAL A 12 13.145 -4.135 7.751 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.047 -5.611 7.361 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.586 -3.633 7.641 1.00 0.00 C ATOM 0 H VAL A 12 10.762 -4.775 6.615 1.00 0.00 H new ATOM 0 HA VAL A 12 12.230 -2.274 7.322 1.00 0.00 H new ATOM 0 HB VAL A 12 12.836 -4.043 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.727 -6.197 7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.026 -5.961 7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.318 -5.729 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.237 -4.257 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.910 -3.682 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.640 -2.602 7.990 1.00 0.00 H new ATOM 139 N GLY A 13 12.674 -1.944 4.952 1.00 0.00 N ATOM 140 CA GLY A 13 13.073 -1.695 3.577 1.00 0.00 C ATOM 141 C GLY A 13 13.149 -0.194 3.292 1.00 0.00 C ATOM 142 O GLY A 13 12.509 0.605 3.974 1.00 0.00 O ATOM 0 H GLY A 13 12.431 -1.108 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.043 -2.154 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.360 -2.162 2.897 1.00 0.00 H new ATOM 146 N PRO A 14 13.959 0.154 2.256 1.00 0.00 N ATOM 147 CA PRO A 14 14.127 1.545 1.872 1.00 0.00 C ATOM 148 C PRO A 14 12.895 2.061 1.127 1.00 0.00 C ATOM 149 O PRO A 14 12.803 3.249 0.819 1.00 0.00 O ATOM 150 CB PRO A 14 15.388 1.569 1.023 1.00 0.00 C ATOM 151 CG PRO A 14 15.618 0.134 0.578 1.00 0.00 C ATOM 152 CD PRO A 14 14.733 -0.765 1.426 1.00 0.00 C ATOM 0 HA PRO A 14 14.228 2.209 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.268 2.230 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.237 1.941 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.378 0.019 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.666 -0.139 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.083 -1.381 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.328 -1.445 2.036 1.00 0.00 H new ATOM 160 N ALA A 15 11.977 1.144 0.859 1.00 0.00 N ATOM 161 CA ALA A 15 10.754 1.492 0.156 1.00 0.00 C ATOM 162 C ALA A 15 10.111 0.219 -0.400 1.00 0.00 C ATOM 163 O ALA A 15 8.922 -0.020 -0.195 1.00 0.00 O ATOM 164 CB ALA A 15 11.067 2.513 -0.939 1.00 0.00 C ATOM 0 H ALA A 15 12.056 0.160 1.116 1.00 0.00 H new ATOM 0 HA ALA A 15 10.038 1.953 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.149 2.774 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.495 3.409 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.781 2.084 -1.643 1.00 0.00 H new ATOM 170 N PRO A 16 10.947 -0.584 -1.111 1.00 0.00 N ATOM 171 CA PRO A 16 10.473 -1.826 -1.697 1.00 0.00 C ATOM 172 C PRO A 16 10.292 -2.904 -0.627 1.00 0.00 C ATOM 173 O PRO A 16 11.133 -3.789 -0.484 1.00 0.00 O ATOM 174 CB PRO A 16 11.518 -2.193 -2.739 1.00 0.00 C ATOM 175 CG PRO A 16 12.763 -1.400 -2.377 1.00 0.00 C ATOM 176 CD PRO A 16 12.361 -0.332 -1.373 1.00 0.00 C ATOM 0 HA PRO A 16 9.489 -1.726 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.720 -3.264 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.174 -1.943 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.523 -2.056 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.197 -0.943 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.952 -0.404 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.517 0.669 -1.775 1.00 0.00 H new ATOM 184 N TRP A 17 9.187 -2.794 0.097 1.00 0.00 N ATOM 185 CA TRP A 17 8.884 -3.748 1.150 1.00 0.00 C ATOM 186 C TRP A 17 8.481 -5.068 0.490 1.00 0.00 C ATOM 187 O TRP A 17 8.616 -6.133 1.090 1.00 0.00 O ATOM 188 CB TRP A 17 7.813 -3.200 2.095 1.00 0.00 C ATOM 189 CG TRP A 17 7.856 -1.681 2.270 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.239 -0.748 1.532 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.581 -0.952 3.282 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.513 0.524 1.992 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.355 0.396 3.090 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.402 -1.416 4.325 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.913 1.390 3.902 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.953 -0.409 5.128 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.735 0.951 4.948 1.00 0.00 C ATOM 0 H TRP A 17 8.491 -2.059 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 17 9.760 -3.924 1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.831 -3.484 1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.929 -3.671 3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.607 -0.964 0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.162 1.397 1.599 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.593 -2.466 4.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.720 2.439 3.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.592 -0.711 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.197 1.667 5.612 1.00 0.00 H new ATOM 208 N GLY A 18 7.993 -4.955 -0.737 1.00 0.00 N ATOM 209 CA GLY A 18 7.569 -6.126 -1.485 1.00 0.00 C ATOM 210 C GLY A 18 6.043 -6.197 -1.573 1.00 0.00 C ATOM 211 O GLY A 18 5.475 -7.281 -1.696 1.00 0.00 O ATOM 0 H GLY A 18 7.882 -4.070 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.994 -6.095 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.952 -7.027 -1.005 1.00 0.00 H new ATOM 215 N PHE A 19 5.423 -5.028 -1.506 1.00 0.00 N ATOM 216 CA PHE A 19 3.974 -4.945 -1.577 1.00 0.00 C ATOM 217 C PHE A 19 3.533 -3.648 -2.257 1.00 0.00 C ATOM 218 O PHE A 19 4.226 -2.635 -2.180 1.00 0.00 O ATOM 219 CB PHE A 19 3.455 -4.955 -0.138 1.00 0.00 C ATOM 220 CG PHE A 19 3.499 -3.588 0.549 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.681 -2.588 0.126 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.357 -3.374 1.582 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.722 -1.319 0.763 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.398 -2.105 2.220 1.00 0.00 C ATOM 225 CZ PHE A 19 3.579 -1.105 1.797 1.00 0.00 C ATOM 0 H PHE A 19 5.897 -4.131 -1.403 1.00 0.00 H new ATOM 0 HA PHE A 19 3.581 -5.780 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.427 -5.318 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.045 -5.662 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.000 -2.758 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.007 -4.168 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.073 -0.524 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.079 -1.935 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.609 -0.141 2.282 1.00 0.00 H new ATOM 235 N ARG A 20 2.381 -3.721 -2.908 1.00 0.00 N ATOM 236 CA ARG A 20 1.838 -2.565 -3.601 1.00 0.00 C ATOM 237 C ARG A 20 0.504 -2.150 -2.977 1.00 0.00 C ATOM 238 O ARG A 20 -0.034 -2.857 -2.127 1.00 0.00 O ATOM 239 CB ARG A 20 1.627 -2.863 -5.087 1.00 0.00 C ATOM 240 CG ARG A 20 2.934 -2.707 -5.868 1.00 0.00 C ATOM 241 CD ARG A 20 2.762 -1.733 -7.036 1.00 0.00 C ATOM 242 NE ARG A 20 4.024 -1.634 -7.802 1.00 0.00 N ATOM 243 CZ ARG A 20 4.181 -0.877 -8.897 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.156 -0.149 -9.360 1.00 0.00 N ATOM 245 NH2 ARG A 20 5.362 -0.849 -9.528 1.00 0.00 N ATOM 0 H ARG A 20 1.809 -4.563 -2.970 1.00 0.00 H new ATOM 0 HA ARG A 20 2.557 -1.752 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.246 -3.877 -5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.873 -2.189 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.719 -2.347 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.255 -3.678 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.957 -2.072 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.476 -0.750 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 20 4.825 -2.176 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.257 -0.171 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.275 0.427 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.142 -1.404 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.481 -0.273 -10.361 1.00 0.00 H new ATOM 259 N LEU A 21 0.010 -1.004 -3.424 1.00 0.00 N ATOM 260 CA LEU A 21 -1.251 -0.486 -2.920 1.00 0.00 C ATOM 261 C LEU A 21 -2.150 -0.108 -4.099 1.00 0.00 C ATOM 262 O LEU A 21 -1.659 0.203 -5.183 1.00 0.00 O ATOM 263 CB LEU A 21 -1.005 0.663 -1.940 1.00 0.00 C ATOM 264 CG LEU A 21 -0.403 0.275 -0.588 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.042 1.514 0.190 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.376 -0.589 0.217 1.00 0.00 C ATOM 0 H LEU A 21 0.460 -0.420 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.777 -1.252 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.342 1.385 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.953 1.171 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 21 0.487 -0.327 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.466 1.210 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.794 2.054 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.817 2.163 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.924 -0.851 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.297 -0.033 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.601 -1.499 -0.340 1.00 0.00 H new ATOM 278 N GLN A 22 -3.450 -0.147 -3.847 1.00 0.00 N ATOM 279 CA GLN A 22 -4.421 0.188 -4.874 1.00 0.00 C ATOM 280 C GLN A 22 -5.723 0.677 -4.234 1.00 0.00 C ATOM 281 O GLN A 22 -6.126 0.182 -3.183 1.00 0.00 O ATOM 282 CB GLN A 22 -4.678 -1.005 -5.796 1.00 0.00 C ATOM 283 CG GLN A 22 -5.182 -2.213 -5.004 1.00 0.00 C ATOM 284 CD GLN A 22 -5.608 -3.344 -5.941 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.632 -3.206 -7.153 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.944 -4.468 -5.314 1.00 0.00 N ATOM 0 H GLN A 22 -3.853 -0.405 -2.947 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.013 0.994 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.412 -0.731 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.760 -1.268 -6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.398 -2.566 -4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.025 -1.917 -4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.901 -4.516 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.244 -5.281 -5.851 1.00 0.00 H new ATOM 295 N GLY A 23 -6.344 1.642 -4.896 1.00 0.00 N ATOM 296 CA GLY A 23 -7.592 2.202 -4.405 1.00 0.00 C ATOM 297 C GLY A 23 -7.377 3.609 -3.844 1.00 0.00 C ATOM 298 O GLY A 23 -6.384 4.262 -4.159 1.00 0.00 O ATOM 0 H GLY A 23 -6.007 2.050 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.322 2.236 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.005 1.556 -3.630 1.00 0.00 H new ATOM 302 N GLY A 24 -8.326 4.034 -3.022 1.00 0.00 N ATOM 303 CA GLY A 24 -8.253 5.352 -2.413 1.00 0.00 C ATOM 304 C GLY A 24 -9.544 6.138 -2.653 1.00 0.00 C ATOM 305 O GLY A 24 -10.474 5.635 -3.280 1.00 0.00 O ATOM 0 H GLY A 24 -9.149 3.489 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.077 5.253 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.406 5.901 -2.825 1.00 0.00 H new ATOM 309 N LYS A 25 -9.558 7.360 -2.141 1.00 0.00 N ATOM 310 CA LYS A 25 -10.719 8.221 -2.291 1.00 0.00 C ATOM 311 C LYS A 25 -10.830 8.671 -3.749 1.00 0.00 C ATOM 312 O LYS A 25 -11.924 8.955 -4.233 1.00 0.00 O ATOM 313 CB LYS A 25 -10.660 9.379 -1.293 1.00 0.00 C ATOM 314 CG LYS A 25 -12.058 9.735 -0.783 1.00 0.00 C ATOM 315 CD LYS A 25 -11.985 10.414 0.587 1.00 0.00 C ATOM 316 CE LYS A 25 -11.683 11.907 0.443 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.895 12.643 0.019 1.00 0.00 N ATOM 0 H LYS A 25 -8.784 7.774 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.632 7.674 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.021 9.108 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.209 10.250 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.551 10.397 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.665 8.832 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.929 10.279 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.212 9.939 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.323 12.304 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.887 12.054 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.740 13.665 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.095 12.437 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.703 12.346 0.602 1.00 0.00 H new ATOM 331 N ASP A 26 -9.682 8.721 -4.408 1.00 0.00 N ATOM 332 CA ASP A 26 -9.636 9.131 -5.801 1.00 0.00 C ATOM 333 C ASP A 26 -10.137 7.985 -6.683 1.00 0.00 C ATOM 334 O ASP A 26 -10.606 8.213 -7.797 1.00 0.00 O ATOM 335 CB ASP A 26 -8.206 9.467 -6.230 1.00 0.00 C ATOM 336 CG ASP A 26 -8.032 9.769 -7.720 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.905 8.789 -8.486 1.00 0.00 O ATOM 338 OD2 ASP A 26 -8.030 10.972 -8.059 1.00 0.00 O ATOM 0 H ASP A 26 -8.776 8.484 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.263 10.015 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.864 10.329 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.558 8.632 -5.966 1.00 0.00 H new ATOM 343 N PHE A 27 -10.021 6.777 -6.151 1.00 0.00 N ATOM 344 CA PHE A 27 -10.456 5.595 -6.875 1.00 0.00 C ATOM 345 C PHE A 27 -11.859 5.170 -6.437 1.00 0.00 C ATOM 346 O PHE A 27 -12.528 4.411 -7.137 1.00 0.00 O ATOM 347 CB PHE A 27 -9.469 4.476 -6.539 1.00 0.00 C ATOM 348 CG PHE A 27 -8.121 4.600 -7.252 1.00 0.00 C ATOM 349 CD1 PHE A 27 -7.337 5.691 -7.040 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.707 3.619 -8.099 1.00 0.00 C ATOM 351 CE1 PHE A 27 -6.086 5.806 -7.702 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.456 3.734 -8.761 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.672 4.825 -8.548 1.00 0.00 C ATOM 0 H PHE A 27 -9.632 6.592 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.486 5.803 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.299 4.466 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.919 3.518 -6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.666 6.470 -6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.330 2.753 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.463 6.672 -7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.127 2.955 -9.433 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.720 4.912 -9.051 1.00 0.00 H new ATOM 363 N ASN A 28 -12.264 5.678 -5.283 1.00 0.00 N ATOM 364 CA ASN A 28 -13.575 5.361 -4.744 1.00 0.00 C ATOM 365 C ASN A 28 -13.545 3.958 -4.133 1.00 0.00 C ATOM 366 O ASN A 28 -14.459 3.164 -4.347 1.00 0.00 O ATOM 367 CB ASN A 28 -14.640 5.375 -5.842 1.00 0.00 C ATOM 368 CG ASN A 28 -16.009 5.756 -5.274 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.818 4.916 -4.917 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.221 7.068 -5.210 1.00 0.00 N ATOM 0 H ASN A 28 -11.707 6.308 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.821 6.112 -3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -14.356 6.083 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.697 4.392 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.104 7.425 -4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.500 7.717 -5.526 1.00 0.00 H new ATOM 377 N MET A 29 -12.484 3.697 -3.384 1.00 0.00 N ATOM 378 CA MET A 29 -12.322 2.404 -2.740 1.00 0.00 C ATOM 379 C MET A 29 -11.281 2.474 -1.622 1.00 0.00 C ATOM 380 O MET A 29 -10.507 3.428 -1.548 1.00 0.00 O ATOM 381 CB MET A 29 -11.887 1.367 -3.778 1.00 0.00 C ATOM 382 CG MET A 29 -10.363 1.321 -3.902 1.00 0.00 C ATOM 383 SD MET A 29 -9.889 0.175 -5.185 1.00 0.00 S ATOM 384 CE MET A 29 -9.228 -1.150 -4.188 1.00 0.00 C ATOM 0 H MET A 29 -11.728 4.359 -3.208 1.00 0.00 H new ATOM 0 HA MET A 29 -13.278 2.115 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.262 0.384 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.327 1.609 -4.745 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.978 2.315 -4.131 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.922 1.019 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.455 -2.107 -4.658 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.147 -1.036 -4.101 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.677 -1.117 -3.195 1.00 0.00 H new ATOM 394 N PRO A 30 -11.295 1.426 -0.756 1.00 0.00 N ATOM 395 CA PRO A 30 -10.361 1.360 0.355 1.00 0.00 C ATOM 396 C PRO A 30 -8.959 0.986 -0.128 1.00 0.00 C ATOM 397 O PRO A 30 -8.804 0.382 -1.189 1.00 0.00 O ATOM 398 CB PRO A 30 -10.955 0.334 1.307 1.00 0.00 C ATOM 399 CG PRO A 30 -11.947 -0.472 0.485 1.00 0.00 C ATOM 400 CD PRO A 30 -12.197 0.279 -0.812 1.00 0.00 C ATOM 0 HA PRO A 30 -10.233 2.320 0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.179 -0.309 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.449 0.821 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.553 -1.467 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.879 -0.605 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.988 -0.348 -1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.237 0.596 -0.892 1.00 0.00 H new ATOM 408 N LEU A 31 -7.972 1.360 0.673 1.00 0.00 N ATOM 409 CA LEU A 31 -6.588 1.072 0.340 1.00 0.00 C ATOM 410 C LEU A 31 -6.303 -0.409 0.599 1.00 0.00 C ATOM 411 O LEU A 31 -6.265 -0.846 1.748 1.00 0.00 O ATOM 412 CB LEU A 31 -5.648 2.018 1.089 1.00 0.00 C ATOM 413 CG LEU A 31 -5.552 3.443 0.539 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.417 4.461 1.673 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.414 3.563 -0.477 1.00 0.00 C ATOM 0 H LEU A 31 -8.104 1.860 1.552 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.407 1.252 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.972 2.072 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.649 1.582 1.088 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.479 3.669 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.351 5.465 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.288 4.397 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.516 4.247 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.368 4.585 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.469 3.310 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.594 2.880 -1.307 1.00 0.00 H new ATOM 427 N THR A 32 -6.111 -1.141 -0.489 1.00 0.00 N ATOM 428 CA THR A 32 -5.831 -2.564 -0.394 1.00 0.00 C ATOM 429 C THR A 32 -4.434 -2.870 -0.938 1.00 0.00 C ATOM 430 O THR A 32 -3.810 -2.019 -1.570 1.00 0.00 O ATOM 431 CB THR A 32 -6.946 -3.314 -1.126 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.347 -2.419 -2.159 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.202 -3.479 -0.267 1.00 0.00 C ATOM 0 H THR A 32 -6.144 -0.775 -1.441 1.00 0.00 H new ATOM 0 HA THR A 32 -5.821 -2.897 0.644 1.00 0.00 H new ATOM 0 HB THR A 32 -6.583 -4.295 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.518 -2.924 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.962 -4.017 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.955 -4.040 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.584 -2.497 0.011 1.00 0.00 H new ATOM 441 N ILE A 33 -3.985 -4.087 -0.672 1.00 0.00 N ATOM 442 CA ILE A 33 -2.673 -4.517 -1.127 1.00 0.00 C ATOM 443 C ILE A 33 -2.747 -4.885 -2.610 1.00 0.00 C ATOM 444 O ILE A 33 -3.178 -5.983 -2.959 1.00 0.00 O ATOM 445 CB ILE A 33 -2.140 -5.643 -0.239 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.985 -5.173 1.209 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.836 -6.213 -0.799 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.818 -4.194 1.346 1.00 0.00 C ATOM 0 H ILE A 33 -4.506 -4.790 -0.147 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.953 -3.704 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.871 -6.452 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.907 -4.694 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.821 -6.033 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.479 -7.012 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.012 -6.611 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.086 -5.424 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.730 -3.876 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.106 -4.683 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.997 -3.324 0.714 1.00 0.00 H new ATOM 460 N SER A 34 -2.321 -3.947 -3.442 1.00 0.00 N ATOM 461 CA SER A 34 -2.334 -4.159 -4.879 1.00 0.00 C ATOM 462 C SER A 34 -1.810 -5.559 -5.206 1.00 0.00 C ATOM 463 O SER A 34 -2.497 -6.347 -5.855 1.00 0.00 O ATOM 464 CB SER A 34 -1.500 -3.099 -5.601 1.00 0.00 C ATOM 465 OG SER A 34 -0.536 -3.681 -6.474 1.00 0.00 O ATOM 0 H SER A 34 -1.964 -3.038 -3.148 1.00 0.00 H new ATOM 0 HA SER A 34 -3.363 -4.072 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.160 -2.446 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.993 -2.474 -4.866 1.00 0.00 H new ATOM 0 HG SER A 34 -0.253 -3.018 -7.138 1.00 0.00 H new ATOM 471 N SER A 35 -0.599 -5.826 -4.742 1.00 0.00 N ATOM 472 CA SER A 35 0.025 -7.117 -4.976 1.00 0.00 C ATOM 473 C SER A 35 1.130 -7.360 -3.947 1.00 0.00 C ATOM 474 O SER A 35 1.411 -6.496 -3.117 1.00 0.00 O ATOM 475 CB SER A 35 0.593 -7.205 -6.395 1.00 0.00 C ATOM 476 OG SER A 35 -0.088 -8.178 -7.183 1.00 0.00 O ATOM 0 H SER A 35 -0.032 -5.170 -4.205 1.00 0.00 H new ATOM 0 HA SER A 35 -0.737 -7.889 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.517 -6.230 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.653 -7.455 -6.346 1.00 0.00 H new ATOM 0 HG SER A 35 0.302 -8.203 -8.082 1.00 0.00 H new ATOM 482 N LEU A 36 1.727 -8.540 -4.033 1.00 0.00 N ATOM 483 CA LEU A 36 2.795 -8.907 -3.118 1.00 0.00 C ATOM 484 C LEU A 36 4.057 -9.232 -3.920 1.00 0.00 C ATOM 485 O LEU A 36 4.001 -9.382 -5.139 1.00 0.00 O ATOM 486 CB LEU A 36 2.344 -10.039 -2.194 1.00 0.00 C ATOM 487 CG LEU A 36 2.253 -9.695 -0.706 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.616 -9.839 -0.026 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.654 -8.302 -0.501 1.00 0.00 C ATOM 0 H LEU A 36 1.491 -9.254 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 36 3.040 -8.071 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.365 -10.385 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.034 -10.874 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 36 1.579 -10.408 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.524 -9.589 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.966 -10.866 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.331 -9.165 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.600 -8.082 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.282 -7.560 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.652 -8.270 -0.929 1.00 0.00 H new ATOM 501 N LYS A 37 5.166 -9.333 -3.202 1.00 0.00 N ATOM 502 CA LYS A 37 6.440 -9.639 -3.831 1.00 0.00 C ATOM 503 C LYS A 37 6.945 -10.989 -3.319 1.00 0.00 C ATOM 504 O LYS A 37 6.854 -11.279 -2.127 1.00 0.00 O ATOM 505 CB LYS A 37 7.430 -8.492 -3.620 1.00 0.00 C ATOM 506 CG LYS A 37 8.810 -8.849 -4.176 1.00 0.00 C ATOM 507 CD LYS A 37 9.619 -7.589 -4.489 1.00 0.00 C ATOM 508 CE LYS A 37 11.117 -7.841 -4.311 1.00 0.00 C ATOM 509 NZ LYS A 37 11.779 -7.979 -5.627 1.00 0.00 N ATOM 0 H LYS A 37 5.209 -9.208 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 37 6.320 -9.732 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.059 -7.592 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.510 -8.267 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.350 -9.461 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.698 -9.447 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.419 -7.269 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.303 -6.777 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.567 -7.018 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.272 -8.745 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.795 -8.150 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.361 -8.779 -6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.646 -7.105 -6.176 1.00 0.00 H new ATOM 523 N ASP A 38 7.466 -11.780 -4.246 1.00 0.00 N ATOM 524 CA ASP A 38 7.986 -13.093 -3.904 1.00 0.00 C ATOM 525 C ASP A 38 8.941 -12.965 -2.715 1.00 0.00 C ATOM 526 O ASP A 38 9.884 -12.176 -2.754 1.00 0.00 O ATOM 527 CB ASP A 38 8.766 -13.698 -5.073 1.00 0.00 C ATOM 528 CG ASP A 38 8.258 -15.059 -5.554 1.00 0.00 C ATOM 529 OD1 ASP A 38 8.053 -15.929 -4.680 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.087 -15.199 -6.784 1.00 0.00 O ATOM 0 H ASP A 38 7.539 -11.537 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 38 7.141 -13.738 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.737 -13.000 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.811 -13.800 -4.779 1.00 0.00 H new ATOM 535 N GLY A 39 8.662 -13.752 -1.686 1.00 0.00 N ATOM 536 CA GLY A 39 9.484 -13.736 -0.488 1.00 0.00 C ATOM 537 C GLY A 39 9.860 -12.305 -0.100 1.00 0.00 C ATOM 538 O GLY A 39 11.041 -11.980 0.017 1.00 0.00 O ATOM 0 H GLY A 39 7.879 -14.405 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.946 -14.210 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.389 -14.321 -0.655 1.00 0.00 H new ATOM 542 N GLY A 40 8.835 -11.488 0.089 1.00 0.00 N ATOM 543 CA GLY A 40 9.043 -10.099 0.462 1.00 0.00 C ATOM 544 C GLY A 40 8.698 -9.869 1.935 1.00 0.00 C ATOM 545 O GLY A 40 8.000 -10.677 2.546 1.00 0.00 O ATOM 0 H GLY A 40 7.857 -11.761 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.081 -9.822 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.427 -9.454 -0.165 1.00 0.00 H new ATOM 549 N LYS A 41 9.203 -8.763 2.462 1.00 0.00 N ATOM 550 CA LYS A 41 8.956 -8.417 3.851 1.00 0.00 C ATOM 551 C LYS A 41 7.455 -8.497 4.134 1.00 0.00 C ATOM 552 O LYS A 41 7.037 -9.107 5.117 1.00 0.00 O ATOM 553 CB LYS A 41 9.572 -7.056 4.181 1.00 0.00 C ATOM 554 CG LYS A 41 11.099 -7.109 4.095 1.00 0.00 C ATOM 555 CD LYS A 41 11.602 -6.405 2.832 1.00 0.00 C ATOM 556 CE LYS A 41 12.458 -7.347 1.983 1.00 0.00 C ATOM 557 NZ LYS A 41 12.502 -6.883 0.579 1.00 0.00 N ATOM 0 H LYS A 41 9.782 -8.095 1.952 1.00 0.00 H new ATOM 0 HA LYS A 41 9.444 -9.132 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.191 -6.304 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.271 -6.750 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.533 -6.637 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.431 -8.147 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.754 -6.052 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.186 -5.527 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.469 -7.394 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.050 -8.357 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.087 -7.533 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.538 -6.861 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.912 -5.928 0.542 1.00 0.00 H new ATOM 571 N ALA A 42 6.685 -7.872 3.255 1.00 0.00 N ATOM 572 CA ALA A 42 5.239 -7.865 3.398 1.00 0.00 C ATOM 573 C ALA A 42 4.749 -9.293 3.644 1.00 0.00 C ATOM 574 O ALA A 42 4.228 -9.598 4.716 1.00 0.00 O ATOM 575 CB ALA A 42 4.606 -7.237 2.155 1.00 0.00 C ATOM 0 H ALA A 42 7.035 -7.367 2.441 1.00 0.00 H new ATOM 0 HA ALA A 42 4.941 -7.262 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.521 -7.232 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.964 -6.214 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.881 -7.817 1.274 1.00 0.00 H new ATOM 581 N SER A 43 4.932 -10.130 2.634 1.00 0.00 N ATOM 582 CA SER A 43 4.515 -11.518 2.727 1.00 0.00 C ATOM 583 C SER A 43 4.982 -12.117 4.055 1.00 0.00 C ATOM 584 O SER A 43 4.207 -12.769 4.753 1.00 0.00 O ATOM 585 CB SER A 43 5.059 -12.337 1.555 1.00 0.00 C ATOM 586 OG SER A 43 6.405 -12.751 1.772 1.00 0.00 O ATOM 0 H SER A 43 5.364 -9.873 1.746 1.00 0.00 H new ATOM 0 HA SER A 43 3.426 -11.551 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.430 -13.214 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.005 -11.744 0.642 1.00 0.00 H new ATOM 0 HG SER A 43 6.967 -11.965 1.937 1.00 0.00 H new ATOM 592 N GLN A 44 6.247 -11.875 4.364 1.00 0.00 N ATOM 593 CA GLN A 44 6.827 -12.382 5.596 1.00 0.00 C ATOM 594 C GLN A 44 6.001 -11.923 6.800 1.00 0.00 C ATOM 595 O GLN A 44 5.979 -12.591 7.833 1.00 0.00 O ATOM 596 CB GLN A 44 8.287 -11.947 5.735 1.00 0.00 C ATOM 597 CG GLN A 44 9.212 -12.871 4.940 1.00 0.00 C ATOM 598 CD GLN A 44 10.671 -12.424 5.064 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.351 -12.700 6.039 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.111 -11.721 4.025 1.00 0.00 N ATOM 0 H GLN A 44 6.887 -11.334 3.782 1.00 0.00 H new ATOM 0 HA GLN A 44 6.809 -13.471 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.400 -10.922 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.574 -11.956 6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.109 -13.894 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.916 -12.873 3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.488 -11.526 3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.071 -11.377 4.012 1.00 0.00 H new ATOM 609 N ALA A 45 5.342 -10.787 6.626 1.00 0.00 N ATOM 610 CA ALA A 45 4.517 -10.231 7.685 1.00 0.00 C ATOM 611 C ALA A 45 3.109 -10.822 7.592 1.00 0.00 C ATOM 612 O ALA A 45 2.188 -10.348 8.255 1.00 0.00 O ATOM 613 CB ALA A 45 4.517 -8.705 7.585 1.00 0.00 C ATOM 0 H ALA A 45 5.363 -10.236 5.768 1.00 0.00 H new ATOM 0 HA ALA A 45 4.920 -10.493 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.898 -8.288 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.537 -8.334 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.116 -8.404 6.617 1.00 0.00 H new ATOM 619 N HIS A 46 2.985 -11.848 6.762 1.00 0.00 N ATOM 620 CA HIS A 46 1.705 -12.508 6.574 1.00 0.00 C ATOM 621 C HIS A 46 0.707 -11.525 5.958 1.00 0.00 C ATOM 622 O HIS A 46 -0.449 -11.465 6.376 1.00 0.00 O ATOM 623 CB HIS A 46 1.207 -13.114 7.887 1.00 0.00 C ATOM 624 CG HIS A 46 1.879 -14.415 8.257 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.223 -15.633 8.224 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.154 -14.675 8.666 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.074 -16.577 8.599 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.270 -15.981 8.873 1.00 0.00 N ATOM 0 H HIS A 46 3.751 -12.238 6.212 1.00 0.00 H new ATOM 0 HA HIS A 46 1.820 -13.340 5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.365 -12.394 8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.132 -13.280 7.814 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.936 -13.943 8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.859 -17.633 8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.115 -16.460 9.186 1.00 0.00 H new ATOM 636 N VAL A 47 1.189 -10.779 4.976 1.00 0.00 N ATOM 637 CA VAL A 47 0.353 -9.802 4.299 1.00 0.00 C ATOM 638 C VAL A 47 -0.206 -10.417 3.015 1.00 0.00 C ATOM 639 O VAL A 47 0.544 -10.715 2.087 1.00 0.00 O ATOM 640 CB VAL A 47 1.147 -8.518 4.049 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.279 -7.460 3.365 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.742 -7.979 5.352 1.00 0.00 C ATOM 0 H VAL A 47 2.148 -10.831 4.632 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.496 -9.528 4.925 1.00 0.00 H new ATOM 0 HB VAL A 47 1.971 -8.760 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.868 -6.558 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.075 -7.843 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.575 -7.224 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.301 -7.066 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.939 -7.762 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.410 -8.725 5.783 1.00 0.00 H new ATOM 652 N ARG A 48 -1.520 -10.590 3.003 1.00 0.00 N ATOM 653 CA ARG A 48 -2.188 -11.165 1.848 1.00 0.00 C ATOM 654 C ARG A 48 -2.871 -10.068 1.029 1.00 0.00 C ATOM 655 O ARG A 48 -3.056 -8.952 1.512 1.00 0.00 O ATOM 656 CB ARG A 48 -3.233 -12.199 2.275 1.00 0.00 C ATOM 657 CG ARG A 48 -2.616 -13.595 2.369 1.00 0.00 C ATOM 658 CD ARG A 48 -2.968 -14.262 3.700 1.00 0.00 C ATOM 659 NE ARG A 48 -2.530 -13.407 4.826 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.915 -13.583 6.097 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.747 -14.584 6.412 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.467 -12.758 7.053 1.00 0.00 N ATOM 0 H ARG A 48 -2.139 -10.342 3.775 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.431 -11.660 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.655 -11.918 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.055 -12.208 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.974 -14.211 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.533 -13.525 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.043 -14.432 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.487 -15.238 3.765 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.895 -12.635 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.087 -15.212 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.040 -14.718 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.833 -11.996 6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.760 -12.892 8.021 1.00 0.00 H new ATOM 676 N ILE A 49 -3.228 -10.424 -0.196 1.00 0.00 N ATOM 677 CA ILE A 49 -3.887 -9.483 -1.086 1.00 0.00 C ATOM 678 C ILE A 49 -5.309 -9.224 -0.586 1.00 0.00 C ATOM 679 O ILE A 49 -6.027 -10.159 -0.235 1.00 0.00 O ATOM 680 CB ILE A 49 -3.824 -9.980 -2.532 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.393 -9.925 -3.069 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.800 -9.206 -3.421 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.383 -9.852 -4.597 1.00 0.00 C ATOM 0 H ILE A 49 -3.074 -11.351 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.368 -8.525 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.134 -11.025 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.879 -9.057 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.843 -10.807 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.735 -9.579 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.816 -9.341 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.545 -8.146 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.353 -9.814 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.876 -10.734 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.913 -8.956 -4.922 1.00 0.00 H new ATOM 695 N GLY A 50 -5.674 -7.950 -0.570 1.00 0.00 N ATOM 696 CA GLY A 50 -6.998 -7.557 -0.118 1.00 0.00 C ATOM 697 C GLY A 50 -6.929 -6.864 1.244 1.00 0.00 C ATOM 698 O GLY A 50 -7.874 -6.188 1.649 1.00 0.00 O ATOM 0 H GLY A 50 -5.076 -7.177 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.451 -6.887 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.639 -8.436 -0.051 1.00 0.00 H new ATOM 702 N ASP A 51 -5.802 -7.055 1.913 1.00 0.00 N ATOM 703 CA ASP A 51 -5.597 -6.456 3.221 1.00 0.00 C ATOM 704 C ASP A 51 -5.825 -4.946 3.128 1.00 0.00 C ATOM 705 O ASP A 51 -5.238 -4.278 2.279 1.00 0.00 O ATOM 706 CB ASP A 51 -4.168 -6.689 3.716 1.00 0.00 C ATOM 707 CG ASP A 51 -3.834 -8.139 4.069 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.744 -8.984 3.921 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.676 -8.371 4.480 1.00 0.00 O ATOM 0 H ASP A 51 -5.021 -7.616 1.574 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.299 -6.917 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.474 -6.349 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.999 -6.069 4.596 1.00 0.00 H new ATOM 714 N VAL A 52 -6.680 -4.454 4.013 1.00 0.00 N ATOM 715 CA VAL A 52 -6.993 -3.035 4.041 1.00 0.00 C ATOM 716 C VAL A 52 -6.094 -2.339 5.064 1.00 0.00 C ATOM 717 O VAL A 52 -5.943 -2.814 6.189 1.00 0.00 O ATOM 718 CB VAL A 52 -8.484 -2.834 4.320 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.812 -1.350 4.504 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.337 -3.450 3.209 1.00 0.00 C ATOM 0 H VAL A 52 -7.165 -5.012 4.715 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.793 -2.580 3.071 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.723 -3.348 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.878 -1.235 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.243 -0.953 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.549 -0.804 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.393 -3.293 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.093 -2.977 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.134 -4.519 3.145 1.00 0.00 H new ATOM 730 N VAL A 53 -5.520 -1.223 4.638 1.00 0.00 N ATOM 731 CA VAL A 53 -4.639 -0.457 5.504 1.00 0.00 C ATOM 732 C VAL A 53 -5.471 0.535 6.320 1.00 0.00 C ATOM 733 O VAL A 53 -5.972 1.521 5.781 1.00 0.00 O ATOM 734 CB VAL A 53 -3.547 0.220 4.673 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.560 0.969 5.570 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.822 -0.797 3.789 1.00 0.00 C ATOM 0 H VAL A 53 -5.648 -0.831 3.705 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.131 -1.114 6.210 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.026 0.950 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.794 1.441 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.091 1.733 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.090 0.267 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.051 -0.290 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.361 -1.561 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.536 -1.265 3.112 1.00 0.00 H new ATOM 746 N LEU A 54 -5.591 0.240 7.606 1.00 0.00 N ATOM 747 CA LEU A 54 -6.353 1.094 8.501 1.00 0.00 C ATOM 748 C LEU A 54 -5.558 2.371 8.780 1.00 0.00 C ATOM 749 O LEU A 54 -6.134 3.451 8.900 1.00 0.00 O ATOM 750 CB LEU A 54 -6.749 0.327 9.765 1.00 0.00 C ATOM 751 CG LEU A 54 -7.574 -0.943 9.548 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.502 -1.859 10.771 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.017 -0.601 9.172 1.00 0.00 C ATOM 0 H LEU A 54 -5.173 -0.578 8.049 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.290 1.397 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.840 0.058 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.315 0.998 10.411 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.144 -1.491 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.097 -2.754 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.465 -2.143 10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.892 -1.334 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.582 -1.521 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.474 -0.020 9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.025 -0.018 8.251 1.00 0.00 H new ATOM 765 N SER A 55 -4.247 2.205 8.875 1.00 0.00 N ATOM 766 CA SER A 55 -3.367 3.331 9.138 1.00 0.00 C ATOM 767 C SER A 55 -2.055 3.161 8.370 1.00 0.00 C ATOM 768 O SER A 55 -1.777 2.086 7.840 1.00 0.00 O ATOM 769 CB SER A 55 -3.090 3.476 10.636 1.00 0.00 C ATOM 770 OG SER A 55 -2.847 2.217 11.258 1.00 0.00 O ATOM 0 H SER A 55 -3.773 1.308 8.775 1.00 0.00 H new ATOM 0 HA SER A 55 -3.864 4.240 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.228 4.126 10.784 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.940 3.960 11.117 1.00 0.00 H new ATOM 0 HG SER A 55 -2.099 1.770 10.810 1.00 0.00 H new ATOM 776 N ILE A 56 -1.283 4.237 8.333 1.00 0.00 N ATOM 777 CA ILE A 56 -0.008 4.220 7.639 1.00 0.00 C ATOM 778 C ILE A 56 1.005 5.059 8.421 1.00 0.00 C ATOM 779 O ILE A 56 1.053 6.279 8.273 1.00 0.00 O ATOM 780 CB ILE A 56 -0.183 4.665 6.185 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.851 3.569 5.353 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.152 5.110 5.583 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.179 4.073 3.946 1.00 0.00 C ATOM 0 H ILE A 56 -1.517 5.127 8.773 1.00 0.00 H new ATOM 0 HA ILE A 56 0.386 3.205 7.592 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.847 5.530 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.192 2.703 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.765 3.238 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.999 5.421 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.550 5.946 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.859 4.281 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.653 3.275 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.857 4.923 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.260 4.380 3.446 1.00 0.00 H new ATOM 795 N ASP A 57 1.791 4.371 9.236 1.00 0.00 N ATOM 796 CA ASP A 57 2.800 5.037 10.042 1.00 0.00 C ATOM 797 C ASP A 57 2.115 5.833 11.154 1.00 0.00 C ATOM 798 O ASP A 57 2.475 6.980 11.414 1.00 0.00 O ATOM 799 CB ASP A 57 3.621 6.014 9.198 1.00 0.00 C ATOM 800 CG ASP A 57 5.027 6.303 9.729 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.630 5.358 10.282 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.466 7.462 9.570 1.00 0.00 O ATOM 0 H ASP A 57 1.749 3.359 9.356 1.00 0.00 H new ATOM 0 HA ASP A 57 3.460 4.274 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.705 5.615 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.076 6.955 9.125 1.00 0.00 H new ATOM 807 N GLY A 58 1.139 5.193 11.782 1.00 0.00 N ATOM 808 CA GLY A 58 0.400 5.827 12.860 1.00 0.00 C ATOM 809 C GLY A 58 -0.562 6.885 12.317 1.00 0.00 C ATOM 810 O GLY A 58 -1.251 7.556 13.085 1.00 0.00 O ATOM 0 H GLY A 58 0.843 4.241 11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.158 5.073 13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.096 6.288 13.561 1.00 0.00 H new ATOM 814 N ILE A 59 -0.579 7.002 10.997 1.00 0.00 N ATOM 815 CA ILE A 59 -1.445 7.968 10.343 1.00 0.00 C ATOM 816 C ILE A 59 -2.769 7.293 9.977 1.00 0.00 C ATOM 817 O ILE A 59 -2.785 6.140 9.550 1.00 0.00 O ATOM 818 CB ILE A 59 -0.731 8.607 9.150 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.603 9.223 9.576 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.634 9.624 8.451 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.383 10.505 10.382 1.00 0.00 C ATOM 0 H ILE A 59 -0.007 6.444 10.363 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.681 8.788 11.021 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.508 7.824 8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.165 8.505 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.204 9.443 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.102 10.063 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.535 9.125 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.910 10.410 9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.347 10.922 10.672 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.157 11.230 9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.198 10.278 11.276 1.00 0.00 H new ATOM 833 N SER A 60 -3.848 8.041 10.158 1.00 0.00 N ATOM 834 CA SER A 60 -5.173 7.529 9.852 1.00 0.00 C ATOM 835 C SER A 60 -5.370 7.460 8.336 1.00 0.00 C ATOM 836 O SER A 60 -5.342 8.484 7.656 1.00 0.00 O ATOM 837 CB SER A 60 -6.259 8.398 10.489 1.00 0.00 C ATOM 838 OG SER A 60 -7.019 7.678 11.457 1.00 0.00 O ATOM 0 H SER A 60 -3.831 8.997 10.513 1.00 0.00 H new ATOM 0 HA SER A 60 -5.257 6.525 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.798 9.265 10.962 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.925 8.774 9.712 1.00 0.00 H new ATOM 0 HG SER A 60 -7.966 7.694 11.207 1.00 0.00 H new ATOM 844 N ALA A 61 -5.566 6.242 7.852 1.00 0.00 N ATOM 845 CA ALA A 61 -5.768 6.026 6.429 1.00 0.00 C ATOM 846 C ALA A 61 -7.267 6.043 6.123 1.00 0.00 C ATOM 847 O ALA A 61 -7.724 5.363 5.206 1.00 0.00 O ATOM 848 CB ALA A 61 -5.102 4.713 6.013 1.00 0.00 C ATOM 0 H ALA A 61 -5.589 5.395 8.420 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.305 6.824 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.253 4.550 4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.034 4.764 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.544 3.888 6.572 1.00 0.00 H new ATOM 854 N GLN A 62 -7.990 6.828 6.909 1.00 0.00 N ATOM 855 CA GLN A 62 -9.428 6.942 6.733 1.00 0.00 C ATOM 856 C GLN A 62 -9.759 8.131 5.828 1.00 0.00 C ATOM 857 O GLN A 62 -9.910 9.255 6.304 1.00 0.00 O ATOM 858 CB GLN A 62 -10.137 7.067 8.083 1.00 0.00 C ATOM 859 CG GLN A 62 -10.063 5.753 8.864 1.00 0.00 C ATOM 860 CD GLN A 62 -9.107 5.875 10.052 1.00 0.00 C ATOM 861 OE1 GLN A 62 -9.323 6.636 10.981 1.00 0.00 O ATOM 862 NE2 GLN A 62 -8.040 5.084 9.971 1.00 0.00 N ATOM 0 H GLN A 62 -7.607 7.391 7.669 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.789 6.033 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.680 7.867 8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.180 7.343 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.057 5.480 9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.729 4.952 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.920 4.470 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.342 5.091 10.715 1.00 0.00 H new ATOM 871 N GLY A 63 -9.862 7.841 4.539 1.00 0.00 N ATOM 872 CA GLY A 63 -10.173 8.872 3.563 1.00 0.00 C ATOM 873 C GLY A 63 -8.895 9.477 2.979 1.00 0.00 C ATOM 874 O GLY A 63 -8.822 10.684 2.753 1.00 0.00 O ATOM 0 H GLY A 63 -9.736 6.907 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.778 8.448 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.769 9.655 4.033 1.00 0.00 H new ATOM 878 N MET A 64 -7.919 8.610 2.750 1.00 0.00 N ATOM 879 CA MET A 64 -6.648 9.044 2.196 1.00 0.00 C ATOM 880 C MET A 64 -6.476 8.543 0.760 1.00 0.00 C ATOM 881 O MET A 64 -6.769 7.386 0.463 1.00 0.00 O ATOM 882 CB MET A 64 -5.505 8.511 3.063 1.00 0.00 C ATOM 883 CG MET A 64 -5.256 9.425 4.264 1.00 0.00 C ATOM 884 SD MET A 64 -3.514 9.785 4.407 1.00 0.00 S ATOM 885 CE MET A 64 -2.967 8.329 5.283 1.00 0.00 C ATOM 0 H MET A 64 -7.983 7.610 2.938 1.00 0.00 H new ATOM 0 HA MET A 64 -6.631 10.134 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.745 7.506 3.410 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.596 8.434 2.466 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.819 10.351 4.149 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.613 8.946 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.896 8.399 5.472 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.499 8.254 6.232 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.172 7.444 4.681 1.00 0.00 H new ATOM 895 N THR A 65 -6.002 9.440 -0.092 1.00 0.00 N ATOM 896 CA THR A 65 -5.788 9.104 -1.489 1.00 0.00 C ATOM 897 C THR A 65 -4.531 8.247 -1.645 1.00 0.00 C ATOM 898 O THR A 65 -3.642 8.281 -0.795 1.00 0.00 O ATOM 899 CB THR A 65 -5.736 10.409 -2.287 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.998 11.297 -1.451 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.109 11.072 -2.415 1.00 0.00 C ATOM 0 H THR A 65 -5.760 10.399 0.158 1.00 0.00 H new ATOM 0 HA THR A 65 -6.606 8.499 -1.880 1.00 0.00 H new ATOM 0 HB THR A 65 -5.335 10.211 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.915 12.168 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.016 11.994 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.794 10.394 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.496 11.301 -1.422 1.00 0.00 H new ATOM 909 N HIS A 66 -4.496 7.497 -2.737 1.00 0.00 N ATOM 910 CA HIS A 66 -3.362 6.632 -3.015 1.00 0.00 C ATOM 911 C HIS A 66 -2.063 7.429 -2.881 1.00 0.00 C ATOM 912 O HIS A 66 -1.146 7.013 -2.175 1.00 0.00 O ATOM 913 CB HIS A 66 -3.510 5.965 -4.384 1.00 0.00 C ATOM 914 CG HIS A 66 -2.872 4.600 -4.475 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.351 4.093 -5.652 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.677 3.642 -3.523 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.867 2.884 -5.409 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.070 2.606 -4.089 1.00 0.00 N ATOM 0 H HIS A 66 -5.235 7.471 -3.440 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.329 5.824 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.570 5.875 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.068 6.612 -5.142 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.341 4.569 -6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.967 3.714 -2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.395 2.233 -6.130 1.00 0.00 H new ATOM 926 N LEU A 67 -2.027 8.560 -3.569 1.00 0.00 N ATOM 927 CA LEU A 67 -0.856 9.419 -3.536 1.00 0.00 C ATOM 928 C LEU A 67 -0.464 9.684 -2.081 1.00 0.00 C ATOM 929 O LEU A 67 0.683 9.468 -1.693 1.00 0.00 O ATOM 930 CB LEU A 67 -1.101 10.692 -4.348 1.00 0.00 C ATOM 931 CG LEU A 67 -0.153 11.860 -4.068 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.297 11.472 -4.362 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.580 13.110 -4.841 1.00 0.00 C ATOM 0 H LEU A 67 -2.790 8.902 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.008 8.925 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.035 10.442 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.122 11.026 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.213 12.101 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.950 12.320 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.584 10.631 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.392 11.188 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.110 13.925 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.568 12.899 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.587 13.398 -4.540 1.00 0.00 H new ATOM 945 N GLU A 68 -1.440 10.148 -1.314 1.00 0.00 N ATOM 946 CA GLU A 68 -1.212 10.445 0.090 1.00 0.00 C ATOM 947 C GLU A 68 -0.514 9.269 0.775 1.00 0.00 C ATOM 948 O GLU A 68 0.661 9.360 1.129 1.00 0.00 O ATOM 949 CB GLU A 68 -2.524 10.791 0.797 1.00 0.00 C ATOM 950 CG GLU A 68 -2.974 12.212 0.454 1.00 0.00 C ATOM 951 CD GLU A 68 -2.482 13.212 1.502 1.00 0.00 C ATOM 952 OE1 GLU A 68 -1.251 13.418 1.556 1.00 0.00 O ATOM 953 OE2 GLU A 68 -3.349 13.747 2.227 1.00 0.00 O ATOM 0 H GLU A 68 -2.391 10.326 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.561 11.317 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.297 10.080 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.396 10.697 1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.591 12.491 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.062 12.248 0.394 1.00 0.00 H new ATOM 960 N ALA A 69 -1.265 8.190 0.940 1.00 0.00 N ATOM 961 CA ALA A 69 -0.733 6.997 1.576 1.00 0.00 C ATOM 962 C ALA A 69 0.673 6.722 1.038 1.00 0.00 C ATOM 963 O ALA A 69 1.607 6.512 1.811 1.00 0.00 O ATOM 964 CB ALA A 69 -1.687 5.824 1.341 1.00 0.00 C ATOM 0 H ALA A 69 -2.238 8.117 0.644 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.652 7.140 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.288 4.929 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.663 6.058 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.791 5.649 0.270 1.00 0.00 H new ATOM 970 N GLN A 70 0.779 6.733 -0.282 1.00 0.00 N ATOM 971 CA GLN A 70 2.056 6.487 -0.932 1.00 0.00 C ATOM 972 C GLN A 70 3.118 7.447 -0.395 1.00 0.00 C ATOM 973 O GLN A 70 4.238 7.035 -0.095 1.00 0.00 O ATOM 974 CB GLN A 70 1.928 6.605 -2.452 1.00 0.00 C ATOM 975 CG GLN A 70 1.132 5.433 -3.029 1.00 0.00 C ATOM 976 CD GLN A 70 2.029 4.211 -3.239 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.507 3.591 -2.302 1.00 0.00 O ATOM 978 NE2 GLN A 70 2.231 3.901 -4.516 1.00 0.00 N ATOM 0 H GLN A 70 0.002 6.908 -0.920 1.00 0.00 H new ATOM 0 HA GLN A 70 2.368 5.468 -0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.436 7.544 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.920 6.632 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.315 5.177 -2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.683 5.726 -3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.801 4.462 -5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.816 3.102 -4.760 1.00 0.00 H new ATOM 987 N ASN A 71 2.730 8.710 -0.288 1.00 0.00 N ATOM 988 CA ASN A 71 3.636 9.732 0.208 1.00 0.00 C ATOM 989 C ASN A 71 4.201 9.293 1.560 1.00 0.00 C ATOM 990 O ASN A 71 5.407 9.377 1.790 1.00 0.00 O ATOM 991 CB ASN A 71 2.908 11.062 0.409 1.00 0.00 C ATOM 992 CG ASN A 71 3.512 12.157 -0.473 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.712 12.376 -0.500 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.617 12.829 -1.190 1.00 0.00 N ATOM 0 H ASN A 71 1.800 9.048 -0.536 1.00 0.00 H new ATOM 0 HA ASN A 71 4.431 9.864 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.851 10.941 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.968 11.359 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.920 13.580 -1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.627 12.594 -1.120 1.00 0.00 H new ATOM 1001 N LYS A 72 3.304 8.835 2.421 1.00 0.00 N ATOM 1002 CA LYS A 72 3.698 8.383 3.744 1.00 0.00 C ATOM 1003 C LYS A 72 4.753 7.282 3.609 1.00 0.00 C ATOM 1004 O LYS A 72 5.759 7.292 4.317 1.00 0.00 O ATOM 1005 CB LYS A 72 2.470 7.962 4.554 1.00 0.00 C ATOM 1006 CG LYS A 72 1.670 9.183 5.010 1.00 0.00 C ATOM 1007 CD LYS A 72 2.399 9.930 6.130 1.00 0.00 C ATOM 1008 CE LYS A 72 1.466 10.927 6.821 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.220 12.097 5.949 1.00 0.00 N ATOM 0 H LYS A 72 2.305 8.767 2.228 1.00 0.00 H new ATOM 0 HA LYS A 72 4.157 9.198 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.837 7.312 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.784 7.383 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.510 9.853 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.686 8.868 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.780 9.216 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.261 10.457 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.521 10.442 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.907 11.254 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.585 12.763 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.122 12.569 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.779 11.782 5.061 1.00 0.00 H new ATOM 1023 N ILE A 73 4.486 6.360 2.696 1.00 0.00 N ATOM 1024 CA ILE A 73 5.399 5.255 2.459 1.00 0.00 C ATOM 1025 C ILE A 73 6.762 5.807 2.035 1.00 0.00 C ATOM 1026 O ILE A 73 7.793 5.186 2.287 1.00 0.00 O ATOM 1027 CB ILE A 73 4.797 4.267 1.458 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.613 3.518 2.072 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.864 3.311 0.921 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.426 3.483 1.107 1.00 0.00 C ATOM 0 H ILE A 73 3.650 6.356 2.111 1.00 0.00 H new ATOM 0 HA ILE A 73 5.556 4.687 3.376 1.00 0.00 H new ATOM 0 HB ILE A 73 4.415 4.832 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.912 2.500 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.316 4.001 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.409 2.620 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.646 3.882 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.298 2.749 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.598 2.945 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.114 4.502 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.720 2.978 0.187 1.00 0.00 H new ATOM 1042 N LYS A 74 6.722 6.968 1.398 1.00 0.00 N ATOM 1043 CA LYS A 74 7.940 7.611 0.937 1.00 0.00 C ATOM 1044 C LYS A 74 8.618 8.314 2.114 1.00 0.00 C ATOM 1045 O LYS A 74 9.789 8.682 2.032 1.00 0.00 O ATOM 1046 CB LYS A 74 7.644 8.537 -0.244 1.00 0.00 C ATOM 1047 CG LYS A 74 7.835 7.806 -1.575 1.00 0.00 C ATOM 1048 CD LYS A 74 7.744 8.779 -2.753 1.00 0.00 C ATOM 1049 CE LYS A 74 7.706 8.026 -4.084 1.00 0.00 C ATOM 1050 NZ LYS A 74 6.396 8.209 -4.746 1.00 0.00 N ATOM 0 H LYS A 74 5.865 7.480 1.190 1.00 0.00 H new ATOM 0 HA LYS A 74 8.643 6.868 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.622 8.908 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.302 9.405 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.804 7.308 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.077 7.030 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.850 9.394 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.599 9.455 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.502 8.386 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.889 6.965 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.387 7.691 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.642 7.844 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.236 9.221 -4.926 1.00 0.00 H new ATOM 1064 N ALA A 75 7.853 8.480 3.183 1.00 0.00 N ATOM 1065 CA ALA A 75 8.365 9.133 4.376 1.00 0.00 C ATOM 1066 C ALA A 75 8.880 8.073 5.352 1.00 0.00 C ATOM 1067 O ALA A 75 9.118 8.364 6.523 1.00 0.00 O ATOM 1068 CB ALA A 75 7.270 10.007 4.990 1.00 0.00 C ATOM 0 H ALA A 75 6.882 8.174 3.248 1.00 0.00 H new ATOM 0 HA ALA A 75 9.202 9.786 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.654 10.497 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.960 10.762 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.415 9.386 5.255 1.00 0.00 H new ATOM 1106 N SER A 79 11.649 1.986 8.484 1.00 0.00 N ATOM 1107 CA SER A 79 10.680 0.904 8.505 1.00 0.00 C ATOM 1108 C SER A 79 9.277 1.451 8.239 1.00 0.00 C ATOM 1109 O SER A 79 9.051 2.658 8.323 1.00 0.00 O ATOM 1110 CB SER A 79 10.715 0.159 9.841 1.00 0.00 C ATOM 1111 OG SER A 79 10.970 1.037 10.935 1.00 0.00 O ATOM 0 HA SER A 79 10.941 0.197 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.763 -0.349 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.486 -0.611 9.807 1.00 0.00 H new ATOM 0 HG SER A 79 11.321 1.887 10.597 1.00 0.00 H new ATOM 1117 N LEU A 80 8.370 0.539 7.923 1.00 0.00 N ATOM 1118 CA LEU A 80 6.994 0.915 7.644 1.00 0.00 C ATOM 1119 C LEU A 80 6.076 0.295 8.699 1.00 0.00 C ATOM 1120 O LEU A 80 5.974 -0.926 8.797 1.00 0.00 O ATOM 1121 CB LEU A 80 6.618 0.545 6.208 1.00 0.00 C ATOM 1122 CG LEU A 80 5.513 1.387 5.566 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.819 2.880 5.690 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.280 0.968 4.113 1.00 0.00 C ATOM 0 H LEU A 80 8.561 -0.461 7.854 1.00 0.00 H new ATOM 0 HA LEU A 80 6.874 1.996 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.512 0.621 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.307 -0.500 6.192 1.00 0.00 H new ATOM 0 HG LEU A 80 4.585 1.203 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.018 3.455 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.896 3.149 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.762 3.101 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.490 1.581 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.199 1.104 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.985 -0.081 4.080 1.00 0.00 H new ATOM 1136 N ASN A 81 5.432 1.166 9.462 1.00 0.00 N ATOM 1137 CA ASN A 81 4.526 0.720 10.507 1.00 0.00 C ATOM 1138 C ASN A 81 3.087 1.048 10.102 1.00 0.00 C ATOM 1139 O ASN A 81 2.669 2.203 10.166 1.00 0.00 O ATOM 1140 CB ASN A 81 4.819 1.429 11.830 1.00 0.00 C ATOM 1141 CG ASN A 81 5.633 0.532 12.764 1.00 0.00 C ATOM 1142 OD1 ASN A 81 5.147 0.029 13.764 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.896 0.360 12.384 1.00 0.00 N ATOM 0 H ASN A 81 5.520 2.179 9.377 1.00 0.00 H new ATOM 0 HA ASN A 81 4.662 -0.354 10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.366 2.352 11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.882 1.708 12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.521 -0.222 12.941 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.239 0.810 11.535 1.00 0.00 H new ATOM 1150 N MET A 82 2.370 0.011 9.695 1.00 0.00 N ATOM 1151 CA MET A 82 0.987 0.175 9.280 1.00 0.00 C ATOM 1152 C MET A 82 0.093 -0.891 9.917 1.00 0.00 C ATOM 1153 O MET A 82 0.584 -1.914 10.394 1.00 0.00 O ATOM 1154 CB MET A 82 0.895 0.075 7.756 1.00 0.00 C ATOM 1155 CG MET A 82 1.987 0.910 7.085 1.00 0.00 C ATOM 1156 SD MET A 82 1.870 0.756 5.311 1.00 0.00 S ATOM 1157 CE MET A 82 2.438 -0.924 5.107 1.00 0.00 C ATOM 0 H MET A 82 2.720 -0.946 9.644 1.00 0.00 H new ATOM 0 HA MET A 82 0.643 1.155 9.610 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.989 -0.967 7.450 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.085 0.417 7.424 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.886 1.956 7.375 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.969 0.579 7.423 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.411 -1.192 4.051 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.460 -1.010 5.477 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.791 -1.598 5.669 1.00 0.00 H new ATOM 1167 N THR A 83 -1.203 -0.616 9.905 1.00 0.00 N ATOM 1168 CA THR A 83 -2.169 -1.539 10.475 1.00 0.00 C ATOM 1169 C THR A 83 -3.049 -2.137 9.376 1.00 0.00 C ATOM 1170 O THR A 83 -3.355 -1.469 8.389 1.00 0.00 O ATOM 1171 CB THR A 83 -2.962 -0.790 11.548 1.00 0.00 C ATOM 1172 OG1 THR A 83 -1.986 0.018 12.200 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.475 -1.718 12.652 1.00 0.00 C ATOM 0 H THR A 83 -1.606 0.233 9.509 1.00 0.00 H new ATOM 0 HA THR A 83 -1.674 -2.387 10.948 1.00 0.00 H new ATOM 0 HB THR A 83 -3.805 -0.277 11.085 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.315 0.939 12.267 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.031 -1.136 13.387 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.130 -2.473 12.217 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.631 -2.206 13.139 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.431 -3.388 9.583 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.270 -4.084 8.622 1.00 0.00 C ATOM 1183 C LEU A 84 -5.638 -4.358 9.250 1.00 0.00 C ATOM 1184 O LEU A 84 -5.808 -4.222 10.460 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.566 -5.341 8.107 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.229 -5.118 7.398 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.763 -6.394 6.694 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.308 -3.929 6.439 1.00 0.00 C ATOM 0 H LEU A 84 -3.175 -3.938 10.403 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.441 -3.461 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.400 -6.012 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.238 -5.854 7.419 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.479 -4.874 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.810 -6.209 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.641 -7.191 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.505 -6.693 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.344 -3.793 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.074 -4.118 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.562 -3.028 6.997 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.579 -4.740 8.398 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.926 -5.034 8.854 1.00 0.00 C ATOM 1202 C GLN A 85 -8.258 -6.508 8.611 1.00 0.00 C ATOM 1203 O GLN A 85 -7.905 -7.065 7.573 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.948 -4.122 8.172 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.369 -4.659 8.353 1.00 0.00 C ATOM 1206 CD GLN A 85 -10.870 -5.329 7.072 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -10.357 -6.344 6.630 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.898 -4.706 6.502 1.00 0.00 N ATOM 0 H GLN A 85 -6.434 -4.852 7.395 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.976 -4.842 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.879 -3.117 8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.718 -4.043 7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.389 -5.376 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.038 -3.843 8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.280 -3.860 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.305 -5.075 5.642 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.934 -7.098 9.587 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.317 -8.496 9.492 1.00 0.00 C ATOM 1219 C ARG A 86 -10.510 -8.656 8.547 1.00 0.00 C ATOM 1220 O ARG A 86 -11.330 -7.749 8.417 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.685 -9.060 10.866 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.122 -8.694 11.243 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.290 -7.177 11.353 1.00 0.00 C ATOM 1224 NE ARG A 86 -12.575 -6.857 12.013 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.771 -6.947 11.414 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -13.852 -7.348 10.138 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.884 -6.636 12.092 1.00 0.00 N ATOM 0 H ARG A 86 -9.226 -6.633 10.447 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.463 -9.049 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.572 -10.144 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.998 -8.672 11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.810 -9.086 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.383 -9.162 12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.463 -6.752 11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.259 -6.726 10.361 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.549 -6.549 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.004 -7.585 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.762 -7.417 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.821 -6.331 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.794 -6.704 11.637 1.00 0.00 H new