USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 89 LYS NZ :NH3+ -165:sc= 0.0144 (180deg=0) USER MOD Set 1.2: A 93 SER OG : rot -160:sc= 0.0137 USER MOD Set 2.1: A 44 CYS SG : rot 64:sc= 0.232 USER MOD Set 2.2: A 68 ASN : amide:sc= -3.91! C(o=-3.7!,f=-6.3!) USER MOD Set 3.1: A 25 TYR OH : rot -175:sc= -1.64 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -6.38! C(o=-8!,f=-11!) USER MOD Set 4.1: A 21 GLN : amide:sc= -0.649 X(o=-0.26,f=-0.27) USER MOD Set 4.2: A 50 TYR OH : rot 31:sc= 0.387 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -0.0938 (180deg=-1.17) USER MOD Single : A 18 CYS SG : rot -142:sc= 1.07 USER MOD Single : A 19 GLN : amide:sc= 0.192 X(o=0.19,f=-0.0075) USER MOD Single : A 22 THR OG1 : rot -91:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.4!) USER MOD Single : A 31 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 163:sc= -0.0517 (180deg=-0.398) USER MOD Single : A 36 SER OG : rot -157:sc= 0.648 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc=-0.00865 (180deg=-0.875) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 59 SER OG : rot -70:sc= 0.514 USER MOD Single : A 63 GLN : amide:sc= -0.988 K(o=-0.99,f=-5.7!) USER MOD Single : A 64 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.89) USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.000852) USER MOD Single : A 69 ASN : amide:sc= 0.556 K(o=0.56,f=-0.025) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.112 F(o=-0.64,f=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 142:sc= -0.0644 (180deg=-0.521) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -123:sc= -0.0835 (180deg=-1.68!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -173:sc= -0.654 (180deg=-0.697) USER MOD Single : A 104 MET CE :methyl -127:sc= -0.899 (180deg=-2.42!) USER MOD Single : A 105 TYR OH : rot 98:sc= 0.347 USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 108 GLN : amide:sc= -4.34! C(o=-4.3!,f=-4.5!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 145:sc= -0.0211 (180deg=-1.64!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 8.057 -9.395 -7.146 1.00 0.00 N ATOM 128 CA SER A 12 8.122 -8.263 -8.063 1.00 0.00 C ATOM 129 C SER A 12 8.912 -7.111 -7.450 1.00 0.00 C ATOM 130 O SER A 12 8.752 -6.789 -6.273 1.00 0.00 O ATOM 131 CB SER A 12 6.712 -7.792 -8.426 1.00 0.00 C ATOM 132 OG SER A 12 6.733 -6.941 -9.558 1.00 0.00 O ATOM 0 HA SER A 12 8.633 -8.590 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.078 -8.655 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.272 -7.265 -7.579 1.00 0.00 H new ATOM 0 HG SER A 12 5.820 -6.656 -9.770 1.00 0.00 H new ATOM 138 N LYS A 13 9.767 -6.492 -8.258 1.00 0.00 N ATOM 139 CA LYS A 13 10.583 -5.375 -7.798 1.00 0.00 C ATOM 140 C LYS A 13 9.780 -4.454 -6.885 1.00 0.00 C ATOM 141 O LYS A 13 10.272 -4.009 -5.848 1.00 0.00 O ATOM 142 CB LYS A 13 11.121 -4.584 -8.993 1.00 0.00 C ATOM 143 CG LYS A 13 11.766 -3.264 -8.608 1.00 0.00 C ATOM 144 CD LYS A 13 13.208 -3.456 -8.167 1.00 0.00 C ATOM 145 CE LYS A 13 13.304 -3.705 -6.670 1.00 0.00 C ATOM 146 NZ LYS A 13 13.245 -2.437 -5.891 1.00 0.00 N ATOM 0 H LYS A 13 9.912 -6.746 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 13 11.421 -5.779 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.852 -5.195 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.304 -4.390 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.732 -2.580 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.197 -2.801 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.646 -4.297 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.790 -2.572 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.491 -4.361 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.236 -4.225 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.799 -2.617 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.209 -2.074 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.686 -1.734 -6.415 1.00 0.00 H new ATOM 160 N LEU A 14 8.543 -4.173 -7.277 1.00 0.00 N ATOM 161 CA LEU A 14 7.670 -3.305 -6.493 1.00 0.00 C ATOM 162 C LEU A 14 7.468 -3.863 -5.088 1.00 0.00 C ATOM 163 O LEU A 14 7.726 -3.182 -4.095 1.00 0.00 O ATOM 164 CB LEU A 14 6.318 -3.145 -7.190 1.00 0.00 C ATOM 165 CG LEU A 14 5.200 -2.525 -6.351 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.371 -1.017 -6.264 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.839 -2.877 -6.933 1.00 0.00 C ATOM 0 H LEU A 14 8.121 -4.533 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 14 8.147 -2.328 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.461 -2.531 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.988 -4.127 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 14 5.259 -2.935 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.566 -0.594 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.330 -0.786 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.340 -0.589 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.055 -2.427 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.769 -2.496 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.716 -3.960 -6.941 1.00 0.00 H new ATOM 179 N LEU A 15 7.007 -5.107 -5.012 1.00 0.00 N ATOM 180 CA LEU A 15 6.773 -5.759 -3.728 1.00 0.00 C ATOM 181 C LEU A 15 7.875 -5.413 -2.732 1.00 0.00 C ATOM 182 O LEU A 15 7.605 -4.921 -1.637 1.00 0.00 O ATOM 183 CB LEU A 15 6.692 -7.275 -3.910 1.00 0.00 C ATOM 184 CG LEU A 15 6.885 -8.115 -2.647 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.695 -7.955 -1.713 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.091 -9.579 -3.006 1.00 0.00 C ATOM 0 H LEU A 15 6.788 -5.684 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 15 5.824 -5.396 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.719 -7.518 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.445 -7.574 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 15 7.777 -7.760 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.850 -8.560 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.594 -6.908 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.788 -8.283 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.227 -10.161 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.219 -9.948 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.976 -9.678 -3.635 1.00 0.00 H new ATOM 198 N GLY A 16 9.120 -5.672 -3.121 1.00 0.00 N ATOM 199 CA GLY A 16 10.245 -5.380 -2.252 1.00 0.00 C ATOM 200 C GLY A 16 10.142 -4.009 -1.612 1.00 0.00 C ATOM 201 O GLY A 16 10.093 -3.892 -0.387 1.00 0.00 O ATOM 0 H GLY A 16 9.369 -6.079 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.304 -6.139 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.169 -5.441 -2.826 1.00 0.00 H new ATOM 205 N TRP A 17 10.112 -2.972 -2.440 1.00 0.00 N ATOM 206 CA TRP A 17 10.016 -1.603 -1.947 1.00 0.00 C ATOM 207 C TRP A 17 9.099 -1.525 -0.732 1.00 0.00 C ATOM 208 O TRP A 17 9.459 -0.945 0.293 1.00 0.00 O ATOM 209 CB TRP A 17 9.502 -0.676 -3.050 1.00 0.00 C ATOM 210 CG TRP A 17 9.562 0.776 -2.682 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.682 1.551 -2.584 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.455 1.625 -2.361 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.338 2.831 -2.222 1.00 0.00 N ATOM 214 CE2 TRP A 17 8.977 2.902 -2.080 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.073 1.431 -2.286 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.165 3.977 -1.728 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.269 2.499 -1.937 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.816 3.759 -1.663 1.00 0.00 C ATOM 0 H TRP A 17 10.153 -3.053 -3.456 1.00 0.00 H new ATOM 0 HA TRP A 17 11.013 -1.281 -1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.089 -0.839 -3.954 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.472 -0.941 -3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.690 1.208 -2.765 1.00 0.00 H new ATOM 0 HE1 TRP A 17 10.990 3.603 -2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.641 0.464 -2.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.585 4.949 -1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.200 2.360 -1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.160 4.574 -1.395 1.00 0.00 H new ATOM 229 N CYS A 18 7.913 -2.111 -0.853 1.00 0.00 N ATOM 230 CA CYS A 18 6.943 -2.107 0.237 1.00 0.00 C ATOM 231 C CYS A 18 7.480 -2.868 1.445 1.00 0.00 C ATOM 232 O CYS A 18 7.343 -2.420 2.583 1.00 0.00 O ATOM 233 CB CYS A 18 5.623 -2.726 -0.225 1.00 0.00 C ATOM 234 SG CYS A 18 4.911 -1.937 -1.689 1.00 0.00 S ATOM 0 H CYS A 18 7.600 -2.595 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 18 6.767 -1.072 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.784 -3.783 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.903 -2.671 0.591 1.00 0.00 H new ATOM 0 HG CYS A 18 3.618 -1.880 -1.566 1.00 0.00 H new ATOM 240 N GLN A 19 8.088 -4.022 1.189 1.00 0.00 N ATOM 241 CA GLN A 19 8.643 -4.846 2.256 1.00 0.00 C ATOM 242 C GLN A 19 9.682 -4.070 3.059 1.00 0.00 C ATOM 243 O GLN A 19 9.713 -4.144 4.287 1.00 0.00 O ATOM 244 CB GLN A 19 9.272 -6.114 1.676 1.00 0.00 C ATOM 245 CG GLN A 19 8.307 -6.947 0.848 1.00 0.00 C ATOM 246 CD GLN A 19 8.757 -8.388 0.702 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.929 -8.660 0.440 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.826 -9.319 0.871 1.00 0.00 N ATOM 0 H GLN A 19 8.209 -4.407 0.252 1.00 0.00 H new ATOM 0 HA GLN A 19 7.829 -5.126 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.124 -5.836 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.658 -6.724 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.321 -6.923 1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.204 -6.501 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.867 -9.048 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.070 -10.306 0.785 1.00 0.00 H new ATOM 257 N ARG A 20 10.531 -3.327 2.357 1.00 0.00 N ATOM 258 CA ARG A 20 11.572 -2.539 3.004 1.00 0.00 C ATOM 259 C ARG A 20 10.984 -1.292 3.658 1.00 0.00 C ATOM 260 O ARG A 20 11.327 -0.953 4.790 1.00 0.00 O ATOM 261 CB ARG A 20 12.644 -2.138 1.988 1.00 0.00 C ATOM 262 CG ARG A 20 13.437 -3.314 1.443 1.00 0.00 C ATOM 263 CD ARG A 20 14.527 -2.856 0.487 1.00 0.00 C ATOM 264 NE ARG A 20 13.976 -2.335 -0.762 1.00 0.00 N ATOM 265 CZ ARG A 20 14.651 -2.304 -1.905 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.895 -2.761 -1.958 1.00 0.00 N ATOM 267 NH2 ARG A 20 14.082 -1.815 -3.000 1.00 0.00 N ATOM 0 H ARG A 20 10.518 -3.254 1.340 1.00 0.00 H new ATOM 0 HA ARG A 20 12.028 -3.154 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.168 -1.616 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.331 -1.433 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.885 -3.866 2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.765 -4.000 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.130 -2.085 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.193 -3.691 0.269 1.00 0.00 H new ATOM 0 HE ARG A 20 13.021 -1.976 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.336 -3.138 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.411 -2.736 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.125 -1.463 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.601 -1.792 -3.878 1.00 0.00 H new ATOM 281 N GLN A 21 10.097 -0.615 2.936 1.00 0.00 N ATOM 282 CA GLN A 21 9.462 0.595 3.445 1.00 0.00 C ATOM 283 C GLN A 21 8.606 0.286 4.669 1.00 0.00 C ATOM 284 O GLN A 21 8.847 0.808 5.758 1.00 0.00 O ATOM 285 CB GLN A 21 8.604 1.243 2.358 1.00 0.00 C ATOM 286 CG GLN A 21 9.415 1.941 1.278 1.00 0.00 C ATOM 287 CD GLN A 21 10.707 2.531 1.808 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.703 3.569 2.470 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.822 1.870 1.520 1.00 0.00 N ATOM 0 H GLN A 21 9.802 -0.884 1.997 1.00 0.00 H new ATOM 0 HA GLN A 21 10.248 1.291 3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.980 0.478 1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.932 1.966 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.644 1.230 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.814 2.734 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.779 1.013 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.722 2.219 1.851 1.00 0.00 H new ATOM 298 N THR A 22 7.602 -0.566 4.483 1.00 0.00 N ATOM 299 CA THR A 22 6.708 -0.943 5.570 1.00 0.00 C ATOM 300 C THR A 22 7.491 -1.465 6.770 1.00 0.00 C ATOM 301 O THR A 22 7.135 -1.202 7.918 1.00 0.00 O ATOM 302 CB THR A 22 5.701 -2.018 5.122 1.00 0.00 C ATOM 303 OG1 THR A 22 6.397 -3.194 4.695 1.00 0.00 O ATOM 304 CG2 THR A 22 4.826 -1.502 3.990 1.00 0.00 C ATOM 0 H THR A 22 7.388 -1.008 3.589 1.00 0.00 H new ATOM 0 HA THR A 22 6.164 -0.043 5.858 1.00 0.00 H new ATOM 0 HB THR A 22 5.063 -2.262 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.573 -3.139 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.123 -2.279 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.275 -0.624 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.453 -1.232 3.140 1.00 0.00 H new ATOM 312 N ASP A 23 8.560 -2.205 6.496 1.00 0.00 N ATOM 313 CA ASP A 23 9.395 -2.763 7.553 1.00 0.00 C ATOM 314 C ASP A 23 9.461 -1.818 8.749 1.00 0.00 C ATOM 315 O ASP A 23 10.026 -0.728 8.661 1.00 0.00 O ATOM 316 CB ASP A 23 10.804 -3.039 7.027 1.00 0.00 C ATOM 317 CG ASP A 23 11.698 -3.678 8.072 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.591 -4.905 8.273 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.503 -2.949 8.690 1.00 0.00 O ATOM 0 H ASP A 23 8.869 -2.432 5.551 1.00 0.00 H new ATOM 0 HA ASP A 23 8.947 -3.702 7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.742 -3.693 6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.253 -2.104 6.692 1.00 0.00 H new ATOM 324 N GLY A 24 8.878 -2.243 9.866 1.00 0.00 N ATOM 325 CA GLY A 24 8.881 -1.422 11.063 1.00 0.00 C ATOM 326 C GLY A 24 7.575 -1.507 11.827 1.00 0.00 C ATOM 327 O GLY A 24 7.563 -1.459 13.057 1.00 0.00 O ATOM 0 H GLY A 24 8.404 -3.141 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.699 -1.734 11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.071 -0.384 10.788 1.00 0.00 H new ATOM 331 N TYR A 25 6.472 -1.631 11.098 1.00 0.00 N ATOM 332 CA TYR A 25 5.153 -1.718 11.714 1.00 0.00 C ATOM 333 C TYR A 25 4.856 -3.145 12.164 1.00 0.00 C ATOM 334 O TYR A 25 5.528 -4.090 11.753 1.00 0.00 O ATOM 335 CB TYR A 25 4.077 -1.245 10.736 1.00 0.00 C ATOM 336 CG TYR A 25 3.983 0.260 10.622 1.00 0.00 C ATOM 337 CD1 TYR A 25 3.363 1.014 11.611 1.00 0.00 C ATOM 338 CD2 TYR A 25 4.512 0.928 9.524 1.00 0.00 C ATOM 339 CE1 TYR A 25 3.274 2.389 11.510 1.00 0.00 C ATOM 340 CE2 TYR A 25 4.428 2.302 9.416 1.00 0.00 C ATOM 341 CZ TYR A 25 3.808 3.028 10.411 1.00 0.00 C ATOM 342 OH TYR A 25 3.722 4.398 10.307 1.00 0.00 O ATOM 0 H TYR A 25 6.465 -1.674 10.079 1.00 0.00 H new ATOM 0 HA TYR A 25 5.146 -1.070 12.591 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.284 -1.664 9.751 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.111 -1.638 11.053 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.944 0.517 12.473 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.997 0.363 8.742 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.789 2.960 12.288 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.846 2.805 8.557 1.00 0.00 H new ATOM 0 HH TYR A 25 4.076 4.683 9.439 1.00 0.00 H new ATOM 352 N ALA A 26 3.842 -3.292 13.011 1.00 0.00 N ATOM 353 CA ALA A 26 3.452 -4.603 13.515 1.00 0.00 C ATOM 354 C ALA A 26 2.399 -5.246 12.618 1.00 0.00 C ATOM 355 O ALA A 26 1.331 -4.678 12.394 1.00 0.00 O ATOM 356 CB ALA A 26 2.934 -4.487 14.941 1.00 0.00 C ATOM 0 H ALA A 26 3.276 -2.519 13.362 1.00 0.00 H new ATOM 0 HA ALA A 26 4.334 -5.243 13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.646 -5.473 15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.717 -4.078 15.580 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.067 -3.826 14.961 1.00 0.00 H new ATOM 362 N GLY A 27 2.709 -6.433 12.106 1.00 0.00 N ATOM 363 CA GLY A 27 1.780 -7.132 11.238 1.00 0.00 C ATOM 364 C GLY A 27 1.834 -6.633 9.808 1.00 0.00 C ATOM 365 O GLY A 27 1.658 -7.405 8.866 1.00 0.00 O ATOM 0 H GLY A 27 3.587 -6.923 12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.004 -8.199 11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.767 -7.012 11.623 1.00 0.00 H new ATOM 369 N VAL A 28 2.077 -5.336 9.645 1.00 0.00 N ATOM 370 CA VAL A 28 2.154 -4.734 8.319 1.00 0.00 C ATOM 371 C VAL A 28 3.063 -5.542 7.400 1.00 0.00 C ATOM 372 O VAL A 28 2.937 -5.484 6.178 1.00 0.00 O ATOM 373 CB VAL A 28 2.670 -3.285 8.390 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.813 -2.700 6.993 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.744 -2.430 9.242 1.00 0.00 C ATOM 0 H VAL A 28 2.224 -4.682 10.414 1.00 0.00 H new ATOM 0 HA VAL A 28 1.142 -4.732 7.913 1.00 0.00 H new ATOM 0 HB VAL A 28 3.654 -3.291 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.179 -1.676 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.519 -3.299 6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.843 -2.706 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.124 -1.409 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.745 -2.429 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.698 -2.839 10.251 1.00 0.00 H new ATOM 385 N ASN A 29 3.980 -6.296 7.998 1.00 0.00 N ATOM 386 CA ASN A 29 4.912 -7.117 7.233 1.00 0.00 C ATOM 387 C ASN A 29 4.270 -7.605 5.937 1.00 0.00 C ATOM 388 O ASN A 29 3.522 -8.583 5.932 1.00 0.00 O ATOM 389 CB ASN A 29 5.374 -8.313 8.067 1.00 0.00 C ATOM 390 CG ASN A 29 4.285 -9.353 8.241 1.00 0.00 C ATOM 391 OD1 ASN A 29 3.305 -9.129 8.952 1.00 0.00 O ATOM 392 ND2 ASN A 29 4.452 -10.498 7.590 1.00 0.00 N ATOM 0 H ASN A 29 4.098 -6.355 9.009 1.00 0.00 H new ATOM 0 HA ASN A 29 5.776 -6.502 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.239 -8.773 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.700 -7.965 9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.752 -11.236 7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.280 -10.640 7.012 1.00 0.00 H new ATOM 399 N VAL A 30 4.568 -6.916 4.840 1.00 0.00 N ATOM 400 CA VAL A 30 4.022 -7.280 3.538 1.00 0.00 C ATOM 401 C VAL A 30 4.613 -8.595 3.042 1.00 0.00 C ATOM 402 O VAL A 30 5.832 -8.747 2.954 1.00 0.00 O ATOM 403 CB VAL A 30 4.289 -6.182 2.491 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.859 -6.647 1.108 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.576 -4.895 2.875 1.00 0.00 C ATOM 0 H VAL A 30 5.184 -6.103 4.827 1.00 0.00 H new ATOM 0 HA VAL A 30 2.946 -7.395 3.667 1.00 0.00 H new ATOM 0 HB VAL A 30 5.360 -5.983 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.055 -5.858 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.420 -7.541 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.793 -6.876 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.776 -4.130 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.503 -5.077 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.938 -4.554 3.845 1.00 0.00 H new ATOM 415 N THR A 31 3.741 -9.544 2.717 1.00 0.00 N ATOM 416 CA THR A 31 4.175 -10.847 2.230 1.00 0.00 C ATOM 417 C THR A 31 3.721 -11.076 0.792 1.00 0.00 C ATOM 418 O THR A 31 4.460 -11.633 -0.020 1.00 0.00 O ATOM 419 CB THR A 31 3.635 -11.986 3.114 1.00 0.00 C ATOM 420 OG1 THR A 31 2.217 -11.858 3.267 1.00 0.00 O ATOM 421 CG2 THR A 31 4.300 -11.971 4.482 1.00 0.00 C ATOM 0 H THR A 31 2.729 -9.434 2.782 1.00 0.00 H new ATOM 0 HA THR A 31 5.264 -10.852 2.270 1.00 0.00 H new ATOM 0 HB THR A 31 3.864 -12.934 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.770 -12.190 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.902 -12.785 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.376 -12.098 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.098 -11.020 4.974 1.00 0.00 H new ATOM 429 N ASP A 32 2.504 -10.643 0.485 1.00 0.00 N ATOM 430 CA ASP A 32 1.952 -10.800 -0.855 1.00 0.00 C ATOM 431 C ASP A 32 1.566 -9.447 -1.446 1.00 0.00 C ATOM 432 O ASP A 32 1.804 -8.402 -0.838 1.00 0.00 O ATOM 433 CB ASP A 32 0.733 -11.723 -0.824 1.00 0.00 C ATOM 434 CG ASP A 32 -0.037 -11.620 0.478 1.00 0.00 C ATOM 435 OD1 ASP A 32 0.474 -12.104 1.510 1.00 0.00 O ATOM 436 OD2 ASP A 32 -1.151 -11.056 0.465 1.00 0.00 O ATOM 0 H ASP A 32 1.880 -10.180 1.146 1.00 0.00 H new ATOM 0 HA ASP A 32 2.720 -11.247 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.072 -11.475 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.057 -12.753 -0.971 1.00 0.00 H new ATOM 441 N LEU A 33 0.972 -9.473 -2.633 1.00 0.00 N ATOM 442 CA LEU A 33 0.554 -8.249 -3.307 1.00 0.00 C ATOM 443 C LEU A 33 -0.919 -8.317 -3.696 1.00 0.00 C ATOM 444 O LEU A 33 -1.342 -7.709 -4.680 1.00 0.00 O ATOM 445 CB LEU A 33 1.411 -8.010 -4.551 1.00 0.00 C ATOM 446 CG LEU A 33 2.917 -7.890 -4.315 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.678 -8.065 -5.621 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.252 -6.550 -3.677 1.00 0.00 C ATOM 0 H LEU A 33 0.769 -10.329 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 33 0.690 -7.418 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.237 -8.828 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.065 -7.097 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 33 3.222 -8.682 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.748 -7.976 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.463 -9.049 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.369 -7.295 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.328 -6.482 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.932 -5.743 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.736 -6.463 -2.721 1.00 0.00 H new ATOM 460 N THR A 34 -1.698 -9.061 -2.917 1.00 0.00 N ATOM 461 CA THR A 34 -3.125 -9.208 -3.179 1.00 0.00 C ATOM 462 C THR A 34 -3.939 -9.032 -1.903 1.00 0.00 C ATOM 463 O THR A 34 -4.822 -8.178 -1.832 1.00 0.00 O ATOM 464 CB THR A 34 -3.444 -10.585 -3.792 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.537 -11.570 -3.284 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.349 -10.536 -5.310 1.00 0.00 C ATOM 0 H THR A 34 -1.365 -9.571 -2.099 1.00 0.00 H new ATOM 0 HA THR A 34 -3.398 -8.429 -3.891 1.00 0.00 H new ATOM 0 HB THR A 34 -4.463 -10.854 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.748 -12.443 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.578 -11.519 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.061 -9.807 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.339 -10.247 -5.602 1.00 0.00 H new ATOM 474 N MET A 35 -3.636 -9.845 -0.896 1.00 0.00 N ATOM 475 CA MET A 35 -4.340 -9.776 0.379 1.00 0.00 C ATOM 476 C MET A 35 -3.621 -8.844 1.348 1.00 0.00 C ATOM 477 O MET A 35 -4.255 -8.147 2.141 1.00 0.00 O ATOM 478 CB MET A 35 -4.464 -11.172 0.994 1.00 0.00 C ATOM 479 CG MET A 35 -5.177 -12.170 0.095 1.00 0.00 C ATOM 480 SD MET A 35 -5.317 -13.804 0.846 1.00 0.00 S ATOM 481 CE MET A 35 -6.459 -13.464 2.184 1.00 0.00 C ATOM 0 H MET A 35 -2.908 -10.559 -0.938 1.00 0.00 H new ATOM 0 HA MET A 35 -5.338 -9.378 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.467 -11.549 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.002 -11.098 1.939 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.173 -11.795 -0.139 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.638 -12.253 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.879 -14.401 2.550 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.931 -12.962 2.994 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.263 -12.822 1.822 1.00 0.00 H new ATOM 491 N SER A 36 -2.293 -8.836 1.280 1.00 0.00 N ATOM 492 CA SER A 36 -1.488 -7.992 2.154 1.00 0.00 C ATOM 493 C SER A 36 -2.080 -6.589 2.251 1.00 0.00 C ATOM 494 O SER A 36 -1.995 -5.939 3.293 1.00 0.00 O ATOM 495 CB SER A 36 -0.049 -7.916 1.640 1.00 0.00 C ATOM 496 OG SER A 36 0.057 -7.016 0.551 1.00 0.00 O ATOM 0 H SER A 36 -1.752 -9.405 0.628 1.00 0.00 H new ATOM 0 HA SER A 36 -1.488 -8.437 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.612 -7.596 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.283 -8.907 1.330 1.00 0.00 H new ATOM 0 HG SER A 36 0.850 -7.237 0.020 1.00 0.00 H new ATOM 502 N TRP A 37 -2.678 -6.130 1.159 1.00 0.00 N ATOM 503 CA TRP A 37 -3.284 -4.804 1.120 1.00 0.00 C ATOM 504 C TRP A 37 -4.772 -4.876 1.444 1.00 0.00 C ATOM 505 O TRP A 37 -5.321 -3.985 2.093 1.00 0.00 O ATOM 506 CB TRP A 37 -3.080 -4.168 -0.256 1.00 0.00 C ATOM 507 CG TRP A 37 -1.654 -4.187 -0.714 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.032 -5.179 -1.418 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.670 -3.169 -0.498 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.278 -4.839 -1.652 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.525 -3.611 -1.100 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.683 -1.927 0.142 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.693 -2.853 -1.077 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.477 -1.177 0.164 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.652 -1.641 -0.443 1.00 0.00 C ATOM 0 H TRP A 37 -2.757 -6.656 0.288 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.796 -4.187 1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.695 -4.694 -0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.431 -3.136 -0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.501 -6.096 -1.743 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.957 -5.409 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.584 -1.560 0.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.600 -3.209 -1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.478 -0.216 0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.542 -1.030 -0.410 1.00 0.00 H new ATOM 526 N LYS A 38 -5.422 -5.943 0.990 1.00 0.00 N ATOM 527 CA LYS A 38 -6.847 -6.133 1.234 1.00 0.00 C ATOM 528 C LYS A 38 -7.247 -5.563 2.591 1.00 0.00 C ATOM 529 O LYS A 38 -8.320 -4.976 2.736 1.00 0.00 O ATOM 530 CB LYS A 38 -7.202 -7.620 1.167 1.00 0.00 C ATOM 531 CG LYS A 38 -7.613 -8.086 -0.219 1.00 0.00 C ATOM 532 CD LYS A 38 -8.000 -9.555 -0.221 1.00 0.00 C ATOM 533 CE LYS A 38 -9.474 -9.744 0.105 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.703 -9.895 1.568 1.00 0.00 N ATOM 0 H LYS A 38 -4.984 -6.690 0.451 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.398 -5.599 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.344 -8.205 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.014 -7.823 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.453 -7.487 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.791 -7.924 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.784 -9.988 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.393 -10.093 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.040 -8.889 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.851 -10.625 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.527 -10.509 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.863 -10.321 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.879 -8.961 1.990 1.00 0.00 H new ATOM 548 N SER A 39 -6.379 -5.740 3.581 1.00 0.00 N ATOM 549 CA SER A 39 -6.644 -5.245 4.927 1.00 0.00 C ATOM 550 C SER A 39 -6.712 -3.721 4.942 1.00 0.00 C ATOM 551 O SER A 39 -7.736 -3.138 5.296 1.00 0.00 O ATOM 552 CB SER A 39 -5.560 -5.728 5.893 1.00 0.00 C ATOM 553 OG SER A 39 -4.266 -5.461 5.382 1.00 0.00 O ATOM 0 H SER A 39 -5.486 -6.222 3.477 1.00 0.00 H new ATOM 0 HA SER A 39 -7.609 -5.637 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.682 -5.235 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.673 -6.798 6.065 1.00 0.00 H new ATOM 0 HG SER A 39 -3.591 -5.778 6.018 1.00 0.00 H new ATOM 559 N GLY A 40 -5.613 -3.082 4.555 1.00 0.00 N ATOM 560 CA GLY A 40 -5.568 -1.631 4.531 1.00 0.00 C ATOM 561 C GLY A 40 -4.354 -1.077 5.251 1.00 0.00 C ATOM 562 O GLY A 40 -3.721 -0.132 4.778 1.00 0.00 O ATOM 0 H GLY A 40 -4.753 -3.542 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.561 -1.288 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.473 -1.235 4.992 1.00 0.00 H new ATOM 566 N LEU A 41 -4.029 -1.664 6.397 1.00 0.00 N ATOM 567 CA LEU A 41 -2.883 -1.222 7.185 1.00 0.00 C ATOM 568 C LEU A 41 -1.702 -0.878 6.283 1.00 0.00 C ATOM 569 O LEU A 41 -1.195 0.243 6.308 1.00 0.00 O ATOM 570 CB LEU A 41 -2.477 -2.307 8.184 1.00 0.00 C ATOM 571 CG LEU A 41 -3.537 -2.703 9.212 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.083 -3.919 10.005 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.839 -1.538 10.143 1.00 0.00 C ATOM 0 H LEU A 41 -4.542 -2.447 6.802 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.173 -0.324 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.190 -3.198 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.590 -1.967 8.719 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.452 -2.963 8.680 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.850 -4.186 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.919 -4.756 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.154 -3.687 10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.596 -1.838 10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.929 -1.246 10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.209 -0.694 9.561 1.00 0.00 H new ATOM 585 N ALA A 42 -1.271 -1.849 5.485 1.00 0.00 N ATOM 586 CA ALA A 42 -0.153 -1.647 4.571 1.00 0.00 C ATOM 587 C ALA A 42 -0.256 -0.298 3.867 1.00 0.00 C ATOM 588 O ALA A 42 0.560 0.596 4.096 1.00 0.00 O ATOM 589 CB ALA A 42 -0.096 -2.774 3.550 1.00 0.00 C ATOM 0 H ALA A 42 -1.679 -2.783 5.453 1.00 0.00 H new ATOM 0 HA ALA A 42 0.767 -1.653 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.743 -2.610 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.033 -3.726 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.024 -2.794 2.978 1.00 0.00 H new ATOM 595 N LEU A 43 -1.261 -0.158 3.011 1.00 0.00 N ATOM 596 CA LEU A 43 -1.470 1.082 2.272 1.00 0.00 C ATOM 597 C LEU A 43 -1.332 2.292 3.191 1.00 0.00 C ATOM 598 O LEU A 43 -0.725 3.298 2.822 1.00 0.00 O ATOM 599 CB LEU A 43 -2.851 1.081 1.614 1.00 0.00 C ATOM 600 CG LEU A 43 -3.215 2.333 0.816 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.177 2.598 -0.264 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.600 2.191 0.203 1.00 0.00 C ATOM 0 H LEU A 43 -1.945 -0.888 2.811 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.706 1.148 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.914 0.220 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.602 0.939 2.391 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.227 3.184 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.453 3.493 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.201 2.745 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.133 1.746 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.842 3.092 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.616 1.329 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.336 2.050 0.995 1.00 0.00 H new ATOM 614 N CYS A 44 -1.898 2.187 4.388 1.00 0.00 N ATOM 615 CA CYS A 44 -1.838 3.273 5.360 1.00 0.00 C ATOM 616 C CYS A 44 -0.400 3.533 5.796 1.00 0.00 C ATOM 617 O CYS A 44 0.022 4.681 5.926 1.00 0.00 O ATOM 618 CB CYS A 44 -2.701 2.942 6.579 1.00 0.00 C ATOM 619 SG CYS A 44 -4.424 2.564 6.182 1.00 0.00 S ATOM 0 H CYS A 44 -2.404 1.361 4.709 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.223 4.175 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.264 2.090 7.100 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.675 3.785 7.269 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.476 1.485 5.459 1.00 0.00 H new ATOM 625 N ALA A 45 0.348 2.457 6.021 1.00 0.00 N ATOM 626 CA ALA A 45 1.739 2.569 6.442 1.00 0.00 C ATOM 627 C ALA A 45 2.586 3.243 5.368 1.00 0.00 C ATOM 628 O ALA A 45 3.581 3.902 5.671 1.00 0.00 O ATOM 629 CB ALA A 45 2.302 1.195 6.775 1.00 0.00 C ATOM 0 H ALA A 45 0.014 1.499 5.919 1.00 0.00 H new ATOM 0 HA ALA A 45 1.772 3.190 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.341 1.294 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.721 0.750 7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.248 0.556 5.894 1.00 0.00 H new ATOM 635 N ILE A 46 2.184 3.073 4.112 1.00 0.00 N ATOM 636 CA ILE A 46 2.907 3.666 2.993 1.00 0.00 C ATOM 637 C ILE A 46 2.863 5.189 3.056 1.00 0.00 C ATOM 638 O ILE A 46 3.896 5.853 2.960 1.00 0.00 O ATOM 639 CB ILE A 46 2.330 3.202 1.643 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.458 1.684 1.503 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.038 3.907 0.495 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.890 1.196 1.497 1.00 0.00 C ATOM 0 H ILE A 46 1.363 2.530 3.844 1.00 0.00 H new ATOM 0 HA ILE A 46 3.941 3.332 3.071 1.00 0.00 H new ATOM 0 HB ILE A 46 1.272 3.463 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.923 1.205 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.972 1.370 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.620 3.569 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.900 4.984 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.102 3.674 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.904 0.111 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.424 1.646 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.375 1.479 2.431 1.00 0.00 H new ATOM 654 N ILE A 47 1.663 5.735 3.219 1.00 0.00 N ATOM 655 CA ILE A 47 1.486 7.180 3.298 1.00 0.00 C ATOM 656 C ILE A 47 2.078 7.737 4.588 1.00 0.00 C ATOM 657 O ILE A 47 2.690 8.805 4.593 1.00 0.00 O ATOM 658 CB ILE A 47 -0.002 7.570 3.218 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.600 7.114 1.886 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.165 9.072 3.393 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.112 7.076 1.884 1.00 0.00 C ATOM 0 H ILE A 47 0.799 5.199 3.299 1.00 0.00 H new ATOM 0 HA ILE A 47 2.012 7.609 2.445 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.538 7.070 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.260 7.784 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.219 6.121 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.222 9.333 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.229 9.370 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.381 9.591 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.466 6.744 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.460 6.384 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.501 8.073 2.091 1.00 0.00 H new ATOM 673 N HIS A 48 1.893 7.004 5.682 1.00 0.00 N ATOM 674 CA HIS A 48 2.411 7.424 6.980 1.00 0.00 C ATOM 675 C HIS A 48 3.937 7.414 6.984 1.00 0.00 C ATOM 676 O HIS A 48 4.572 8.415 7.316 1.00 0.00 O ATOM 677 CB HIS A 48 1.880 6.509 8.084 1.00 0.00 C ATOM 678 CG HIS A 48 2.427 6.829 9.441 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.778 6.904 9.709 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.798 7.096 10.609 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.955 7.201 10.984 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.769 7.323 11.553 1.00 0.00 N ATOM 0 H HIS A 48 1.389 6.117 5.696 1.00 0.00 H new ATOM 0 HA HIS A 48 2.071 8.443 7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.793 6.581 8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.124 5.476 7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.730 7.125 10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.908 7.323 11.478 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.602 7.549 12.534 1.00 0.00 H new ATOM 691 N ARG A 49 4.518 6.277 6.616 1.00 0.00 N ATOM 692 CA ARG A 49 5.968 6.136 6.580 1.00 0.00 C ATOM 693 C ARG A 49 6.632 7.454 6.191 1.00 0.00 C ATOM 694 O ARG A 49 7.540 7.929 6.873 1.00 0.00 O ATOM 695 CB ARG A 49 6.372 5.039 5.594 1.00 0.00 C ATOM 696 CG ARG A 49 7.876 4.880 5.441 1.00 0.00 C ATOM 697 CD ARG A 49 8.512 4.342 6.713 1.00 0.00 C ATOM 698 NE ARG A 49 8.058 2.989 7.023 1.00 0.00 N ATOM 699 CZ ARG A 49 8.069 2.472 8.246 1.00 0.00 C ATOM 700 NH1 ARG A 49 8.508 3.192 9.270 1.00 0.00 N ATOM 701 NH2 ARG A 49 7.639 1.233 8.448 1.00 0.00 N ATOM 0 H ARG A 49 4.006 5.440 6.338 1.00 0.00 H new ATOM 0 HA ARG A 49 6.306 5.859 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.947 4.091 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.938 5.261 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.089 4.204 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.321 5.843 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.597 4.344 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.273 5.004 7.545 1.00 0.00 H new ATOM 0 HE ARG A 49 7.713 2.409 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.838 4.145 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.515 2.792 10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.300 0.677 7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.648 0.837 9.388 1.00 0.00 H new ATOM 715 N TYR A 50 6.174 8.038 5.090 1.00 0.00 N ATOM 716 CA TYR A 50 6.725 9.299 4.607 1.00 0.00 C ATOM 717 C TYR A 50 6.027 10.486 5.264 1.00 0.00 C ATOM 718 O TYR A 50 6.676 11.386 5.797 1.00 0.00 O ATOM 719 CB TYR A 50 6.589 9.391 3.086 1.00 0.00 C ATOM 720 CG TYR A 50 7.467 8.412 2.340 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.271 7.041 2.461 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.492 8.857 1.515 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.071 6.143 1.782 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.296 7.966 0.830 1.00 0.00 C ATOM 725 CZ TYR A 50 9.082 6.610 0.967 1.00 0.00 C ATOM 726 OH TYR A 50 9.881 5.719 0.288 1.00 0.00 O ATOM 0 H TYR A 50 5.422 7.659 4.515 1.00 0.00 H new ATOM 0 HA TYR A 50 7.782 9.329 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.549 9.216 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.837 10.404 2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.480 6.672 3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.664 9.918 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.906 5.081 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.087 8.329 0.191 1.00 0.00 H new ATOM 0 HH TYR A 50 9.365 4.914 0.074 1.00 0.00 H new ATOM 736 N ARG A 51 4.698 10.479 5.222 1.00 0.00 N ATOM 737 CA ARG A 51 3.910 11.555 5.812 1.00 0.00 C ATOM 738 C ARG A 51 2.865 10.998 6.775 1.00 0.00 C ATOM 739 O ARG A 51 1.776 10.584 6.376 1.00 0.00 O ATOM 740 CB ARG A 51 3.224 12.373 4.716 1.00 0.00 C ATOM 741 CG ARG A 51 4.190 12.962 3.701 1.00 0.00 C ATOM 742 CD ARG A 51 4.835 14.238 4.221 1.00 0.00 C ATOM 743 NE ARG A 51 3.866 15.320 4.367 1.00 0.00 N ATOM 744 CZ ARG A 51 4.163 16.507 4.885 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.395 16.762 5.304 1.00 0.00 N ATOM 746 NH2 ARG A 51 3.226 17.441 4.986 1.00 0.00 N ATOM 0 H ARG A 51 4.145 9.741 4.786 1.00 0.00 H new ATOM 0 HA ARG A 51 4.586 12.203 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.506 11.738 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.658 13.182 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.964 12.231 3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.660 13.173 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.305 14.040 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.626 14.549 3.538 1.00 0.00 H new ATOM 0 HE ARG A 51 2.909 15.156 4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.118 16.046 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.620 17.674 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.277 17.248 4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.455 18.352 5.384 1.00 0.00 H new ATOM 760 N PRO A 52 3.203 10.985 8.073 1.00 0.00 N ATOM 761 CA PRO A 52 2.308 10.482 9.119 1.00 0.00 C ATOM 762 C PRO A 52 1.105 11.392 9.340 1.00 0.00 C ATOM 763 O PRO A 52 -0.006 10.920 9.582 1.00 0.00 O ATOM 764 CB PRO A 52 3.197 10.458 10.365 1.00 0.00 C ATOM 765 CG PRO A 52 4.244 11.486 10.103 1.00 0.00 C ATOM 766 CD PRO A 52 4.485 11.463 8.619 1.00 0.00 C ATOM 0 HA PRO A 52 1.885 9.511 8.861 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.626 10.694 11.263 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.638 9.473 10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.913 12.472 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.159 11.259 10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.740 12.452 8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.307 10.798 8.356 1.00 0.00 H new ATOM 774 N ASP A 53 1.334 12.698 9.255 1.00 0.00 N ATOM 775 CA ASP A 53 0.267 13.674 9.445 1.00 0.00 C ATOM 776 C ASP A 53 -0.943 13.332 8.581 1.00 0.00 C ATOM 777 O ASP A 53 -2.071 13.273 9.070 1.00 0.00 O ATOM 778 CB ASP A 53 0.768 15.080 9.109 1.00 0.00 C ATOM 779 CG ASP A 53 0.628 15.408 7.636 1.00 0.00 C ATOM 780 OD1 ASP A 53 1.472 14.944 6.841 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.327 16.129 7.277 1.00 0.00 O ATOM 0 H ASP A 53 2.248 13.105 9.056 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.037 13.645 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.211 15.811 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.815 15.169 9.400 1.00 0.00 H new ATOM 786 N LEU A 54 -0.700 13.110 7.294 1.00 0.00 N ATOM 787 CA LEU A 54 -1.770 12.775 6.360 1.00 0.00 C ATOM 788 C LEU A 54 -2.654 11.666 6.921 1.00 0.00 C ATOM 789 O LEU A 54 -3.824 11.891 7.235 1.00 0.00 O ATOM 790 CB LEU A 54 -1.183 12.343 5.015 1.00 0.00 C ATOM 791 CG LEU A 54 -0.176 13.305 4.382 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.263 12.796 3.018 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.772 14.700 4.267 1.00 0.00 C ATOM 0 H LEU A 54 0.228 13.156 6.873 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.383 13.664 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.698 11.376 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.004 12.195 4.314 1.00 0.00 H new ATOM 0 HG LEU A 54 0.702 13.359 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.979 13.493 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.730 11.817 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.605 12.712 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.042 15.371 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.666 14.664 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.035 15.066 5.259 1.00 0.00 H new ATOM 805 N ILE A 55 -2.088 10.470 7.046 1.00 0.00 N ATOM 806 CA ILE A 55 -2.825 9.328 7.572 1.00 0.00 C ATOM 807 C ILE A 55 -2.275 8.897 8.928 1.00 0.00 C ATOM 808 O ILE A 55 -1.063 8.790 9.112 1.00 0.00 O ATOM 809 CB ILE A 55 -2.772 8.131 6.605 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.806 7.077 7.007 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.375 7.528 6.583 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.344 6.282 5.839 1.00 0.00 C ATOM 0 H ILE A 55 -1.122 10.267 6.790 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.861 9.646 7.687 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.010 8.483 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.355 6.392 7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.636 7.569 7.514 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.354 6.683 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.659 8.281 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.110 7.187 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.071 5.554 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.825 6.956 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.524 5.761 5.345 1.00 0.00 H new ATOM 824 N ASP A 56 -3.175 8.650 9.873 1.00 0.00 N ATOM 825 CA ASP A 56 -2.781 8.227 11.212 1.00 0.00 C ATOM 826 C ASP A 56 -2.945 6.719 11.376 1.00 0.00 C ATOM 827 O ASP A 56 -4.063 6.213 11.475 1.00 0.00 O ATOM 828 CB ASP A 56 -3.612 8.960 12.266 1.00 0.00 C ATOM 829 CG ASP A 56 -2.980 8.904 13.643 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.250 7.930 13.921 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.216 9.834 14.443 1.00 0.00 O ATOM 0 H ASP A 56 -4.182 8.735 9.737 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.729 8.477 11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.735 10.001 11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.609 8.521 12.309 1.00 0.00 H new ATOM 836 N PHE A 57 -1.824 6.007 11.402 1.00 0.00 N ATOM 837 CA PHE A 57 -1.842 4.556 11.552 1.00 0.00 C ATOM 838 C PHE A 57 -2.236 4.161 12.972 1.00 0.00 C ATOM 839 O PHE A 57 -3.142 3.352 13.175 1.00 0.00 O ATOM 840 CB PHE A 57 -0.472 3.969 11.208 1.00 0.00 C ATOM 841 CG PHE A 57 -0.465 2.469 11.132 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.748 1.821 9.940 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.175 1.707 12.252 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.742 0.441 9.866 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.167 0.326 12.184 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.452 -0.307 10.990 1.00 0.00 C ATOM 0 H PHE A 57 -0.891 6.411 11.321 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.585 4.154 10.863 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.141 4.375 10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.251 4.290 11.958 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.976 2.402 9.058 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.047 2.197 13.188 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.964 -0.052 8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.062 -0.257 13.064 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.448 -1.386 10.935 1.00 0.00 H new ATOM 856 N ASP A 58 -1.548 4.737 13.952 1.00 0.00 N ATOM 857 CA ASP A 58 -1.825 4.447 15.354 1.00 0.00 C ATOM 858 C ASP A 58 -3.323 4.506 15.636 1.00 0.00 C ATOM 859 O ASP A 58 -3.871 3.643 16.322 1.00 0.00 O ATOM 860 CB ASP A 58 -1.084 5.433 16.258 1.00 0.00 C ATOM 861 CG ASP A 58 -1.356 5.188 17.729 1.00 0.00 C ATOM 862 OD1 ASP A 58 -2.506 4.838 18.069 1.00 0.00 O ATOM 863 OD2 ASP A 58 -0.420 5.346 18.539 1.00 0.00 O ATOM 0 H ASP A 58 -0.794 5.408 13.801 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.473 3.437 15.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.013 5.357 16.072 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.381 6.450 16.001 1.00 0.00 H new ATOM 868 N SER A 59 -3.980 5.531 15.103 1.00 0.00 N ATOM 869 CA SER A 59 -5.414 5.707 15.301 1.00 0.00 C ATOM 870 C SER A 59 -6.190 4.524 14.728 1.00 0.00 C ATOM 871 O SER A 59 -7.119 4.014 15.355 1.00 0.00 O ATOM 872 CB SER A 59 -5.886 7.006 14.646 1.00 0.00 C ATOM 873 OG SER A 59 -6.279 6.786 13.302 1.00 0.00 O ATOM 0 H SER A 59 -3.542 6.253 14.530 1.00 0.00 H new ATOM 0 HA SER A 59 -5.604 5.760 16.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.723 7.418 15.210 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.085 7.745 14.678 1.00 0.00 H new ATOM 0 HG SER A 59 -5.488 6.587 12.758 1.00 0.00 H new ATOM 879 N LEU A 60 -5.802 4.093 13.533 1.00 0.00 N ATOM 880 CA LEU A 60 -6.460 2.971 12.874 1.00 0.00 C ATOM 881 C LEU A 60 -6.328 1.698 13.704 1.00 0.00 C ATOM 882 O LEU A 60 -5.449 1.591 14.559 1.00 0.00 O ATOM 883 CB LEU A 60 -5.863 2.750 11.483 1.00 0.00 C ATOM 884 CG LEU A 60 -6.068 3.883 10.477 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.265 3.625 9.211 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.545 4.045 10.149 1.00 0.00 C ATOM 0 H LEU A 60 -5.035 4.504 13.001 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.519 3.210 12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.792 2.577 11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.292 1.839 11.066 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.712 4.810 10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.423 4.442 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.206 3.560 9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.590 2.688 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.672 4.856 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.926 3.118 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.097 4.277 11.060 1.00 0.00 H new ATOM 898 N ASP A 61 -7.207 0.736 13.446 1.00 0.00 N ATOM 899 CA ASP A 61 -7.187 -0.532 14.167 1.00 0.00 C ATOM 900 C ASP A 61 -7.211 -1.709 13.197 1.00 0.00 C ATOM 901 O ASP A 61 -8.088 -1.800 12.339 1.00 0.00 O ATOM 902 CB ASP A 61 -8.378 -0.618 15.123 1.00 0.00 C ATOM 903 CG ASP A 61 -8.154 0.171 16.398 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.044 0.084 16.963 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.090 0.876 16.832 1.00 0.00 O ATOM 0 H ASP A 61 -7.942 0.810 12.743 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.264 -0.579 14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.271 -0.246 14.621 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.565 -1.662 15.373 1.00 0.00 H new ATOM 910 N GLU A 62 -6.242 -2.608 13.341 1.00 0.00 N ATOM 911 CA GLU A 62 -6.152 -3.778 12.476 1.00 0.00 C ATOM 912 C GLU A 62 -7.535 -4.365 12.209 1.00 0.00 C ATOM 913 O GLU A 62 -7.873 -4.690 11.071 1.00 0.00 O ATOM 914 CB GLU A 62 -5.249 -4.839 13.109 1.00 0.00 C ATOM 915 CG GLU A 62 -5.718 -5.298 14.480 1.00 0.00 C ATOM 916 CD GLU A 62 -4.810 -6.351 15.085 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.698 -5.994 15.527 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.213 -7.533 15.116 1.00 0.00 O ATOM 0 H GLU A 62 -5.509 -2.548 14.048 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.720 -3.463 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.196 -5.702 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.238 -4.440 13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.768 -4.439 15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.729 -5.698 14.399 1.00 0.00 H new ATOM 925 N GLN A 63 -8.330 -4.497 13.266 1.00 0.00 N ATOM 926 CA GLN A 63 -9.675 -5.046 13.146 1.00 0.00 C ATOM 927 C GLN A 63 -10.431 -4.387 11.997 1.00 0.00 C ATOM 928 O GLN A 63 -11.090 -5.061 11.207 1.00 0.00 O ATOM 929 CB GLN A 63 -10.445 -4.856 14.454 1.00 0.00 C ATOM 930 CG GLN A 63 -9.772 -5.501 15.655 1.00 0.00 C ATOM 931 CD GLN A 63 -9.853 -7.014 15.627 1.00 0.00 C ATOM 932 OE1 GLN A 63 -9.812 -7.630 14.561 1.00 0.00 O ATOM 933 NE2 GLN A 63 -9.970 -7.623 16.801 1.00 0.00 N ATOM 0 H GLN A 63 -8.066 -4.231 14.215 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.588 -6.112 12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.564 -3.789 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.446 -5.273 14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.726 -5.198 15.686 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.238 -5.133 16.569 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.000 -7.074 17.660 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.030 -8.640 16.844 1.00 0.00 H new ATOM 942 N ASN A 64 -10.331 -3.064 11.911 1.00 0.00 N ATOM 943 CA ASN A 64 -11.006 -2.313 10.859 1.00 0.00 C ATOM 944 C ASN A 64 -10.318 -2.522 9.514 1.00 0.00 C ATOM 945 O ASN A 64 -9.192 -2.071 9.303 1.00 0.00 O ATOM 946 CB ASN A 64 -11.033 -0.823 11.204 1.00 0.00 C ATOM 947 CG ASN A 64 -11.487 -0.568 12.629 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.251 -1.347 13.198 1.00 0.00 O ATOM 949 ND2 ASN A 64 -11.016 0.529 13.212 1.00 0.00 N ATOM 0 H ASN A 64 -9.789 -2.490 12.557 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.029 -2.681 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.038 -0.402 11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.700 -0.305 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.286 0.754 14.170 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.384 1.147 12.702 1.00 0.00 H new ATOM 956 N VAL A 65 -11.003 -3.209 8.605 1.00 0.00 N ATOM 957 CA VAL A 65 -10.458 -3.477 7.279 1.00 0.00 C ATOM 958 C VAL A 65 -10.908 -2.420 6.277 1.00 0.00 C ATOM 959 O VAL A 65 -10.094 -1.658 5.757 1.00 0.00 O ATOM 960 CB VAL A 65 -10.883 -4.867 6.768 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.446 -5.062 5.324 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.311 -5.959 7.659 1.00 0.00 C ATOM 0 H VAL A 65 -11.936 -3.590 8.762 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.372 -3.448 7.371 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.970 -4.932 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.755 -6.049 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.908 -4.299 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.361 -4.978 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.621 -6.934 7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.223 -5.898 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.679 -5.828 8.677 1.00 0.00 H new ATOM 972 N GLU A 66 -12.210 -2.381 6.010 1.00 0.00 N ATOM 973 CA GLU A 66 -12.768 -1.417 5.069 1.00 0.00 C ATOM 974 C GLU A 66 -12.281 -0.005 5.384 1.00 0.00 C ATOM 975 O GLU A 66 -11.730 0.681 4.523 1.00 0.00 O ATOM 976 CB GLU A 66 -14.297 -1.461 5.106 1.00 0.00 C ATOM 977 CG GLU A 66 -14.885 -2.711 4.474 1.00 0.00 C ATOM 978 CD GLU A 66 -16.396 -2.767 4.589 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.062 -1.821 4.118 1.00 0.00 O ATOM 980 OE2 GLU A 66 -16.912 -3.756 5.149 1.00 0.00 O ATOM 0 H GLU A 66 -12.897 -3.005 6.432 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.428 -1.686 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.629 -1.397 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.690 -0.584 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.603 -2.749 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.455 -3.592 4.951 1.00 0.00 H new ATOM 987 N LYS A 67 -12.489 0.423 6.625 1.00 0.00 N ATOM 988 CA LYS A 67 -12.072 1.752 7.056 1.00 0.00 C ATOM 989 C LYS A 67 -10.661 2.065 6.567 1.00 0.00 C ATOM 990 O LYS A 67 -10.464 2.960 5.746 1.00 0.00 O ATOM 991 CB LYS A 67 -12.129 1.857 8.582 1.00 0.00 C ATOM 992 CG LYS A 67 -12.216 3.285 9.090 1.00 0.00 C ATOM 993 CD LYS A 67 -13.594 3.880 8.849 1.00 0.00 C ATOM 994 CE LYS A 67 -13.588 5.390 9.028 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.019 6.087 7.842 1.00 0.00 N ATOM 0 H LYS A 67 -12.944 -0.132 7.350 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.758 2.479 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.992 1.298 8.944 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.242 1.383 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.991 3.307 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.463 3.896 8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.927 3.633 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.310 3.434 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.606 5.739 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.008 5.648 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.581 6.981 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.301 5.482 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.778 6.285 7.159 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.685 1.321 7.075 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.292 1.519 6.688 1.00 0.00 C ATOM 1011 C ASN A 68 -8.180 1.827 5.198 1.00 0.00 C ATOM 1012 O ASN A 68 -7.419 2.703 4.791 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.465 0.277 7.027 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.958 0.293 8.456 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.791 0.593 8.709 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.835 -0.031 9.399 1.00 0.00 N ATOM 0 H ASN A 68 -9.832 0.575 7.755 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.903 2.370 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.072 -0.615 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.618 0.210 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.551 -0.038 10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.792 -0.273 9.144 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.945 1.100 4.390 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.932 1.296 2.945 1.00 0.00 C ATOM 1025 C ASN A 69 -9.631 2.598 2.566 1.00 0.00 C ATOM 1026 O ASN A 69 -9.010 3.512 2.026 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.610 0.117 2.244 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.783 -1.152 2.317 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.654 -1.200 1.828 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.344 -2.189 2.929 1.00 0.00 N ATOM 0 H ASN A 69 -9.581 0.370 4.711 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.893 1.355 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.585 -0.061 2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.788 0.372 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.836 -3.070 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.282 -2.104 3.320 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.927 2.673 2.853 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.710 3.863 2.542 1.00 0.00 C ATOM 1039 C GLN A 70 -10.908 5.130 2.818 1.00 0.00 C ATOM 1040 O GLN A 70 -10.878 6.050 2.000 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.004 3.875 3.358 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.936 5.022 3.003 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.593 4.843 1.648 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.854 5.146 0.587 1.00 0.00 O flip ATOM 1045 NE2 GLN A 70 -15.751 4.436 1.556 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.456 1.924 3.300 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.958 3.837 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.528 2.931 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.755 3.935 4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.708 5.108 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.375 5.956 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.282 4.215 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.179 4.320 0.638 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.259 5.172 3.977 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.456 6.328 4.362 1.00 0.00 C ATOM 1056 C LEU A 71 -8.357 6.593 3.339 1.00 0.00 C ATOM 1057 O LEU A 71 -8.404 7.579 2.604 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.839 6.107 5.744 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.023 7.270 6.309 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -8.898 8.502 6.481 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.383 6.879 7.633 1.00 0.00 C ATOM 0 H LEU A 71 -10.273 4.420 4.666 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.111 7.199 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.641 5.878 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.196 5.228 5.696 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.229 7.509 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.300 9.319 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.308 8.795 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.714 8.276 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.806 7.719 8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.161 6.612 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.723 6.025 7.480 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.369 5.705 3.295 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.260 5.840 2.359 1.00 0.00 C ATOM 1075 C ALA A 72 -6.758 6.233 0.972 1.00 0.00 C ATOM 1076 O ALA A 72 -6.365 7.266 0.430 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.466 4.544 2.290 1.00 0.00 C ATOM 0 H ALA A 72 -7.314 4.884 3.897 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.606 6.634 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.641 4.660 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.071 4.306 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.117 3.736 1.956 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.623 5.401 0.402 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.173 5.661 -0.924 1.00 0.00 C ATOM 1085 C PHE A 73 -8.565 7.128 -1.072 1.00 0.00 C ATOM 1086 O PHE A 73 -8.442 7.709 -2.151 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.390 4.769 -1.178 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.032 3.353 -1.530 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.039 3.086 -2.459 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.687 2.289 -0.931 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.708 1.784 -2.785 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.360 0.985 -1.252 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.368 0.733 -2.180 1.00 0.00 C ATOM 0 H PHE A 73 -7.958 4.541 0.837 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.403 5.432 -1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.020 4.766 -0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.982 5.197 -1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.518 3.904 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.463 2.481 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.934 1.589 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.879 0.165 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.109 -0.285 -2.432 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.037 7.721 0.019 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.447 9.121 0.012 1.00 0.00 C ATOM 1105 C ASP A 74 -8.250 10.039 0.239 1.00 0.00 C ATOM 1106 O ASP A 74 -7.918 10.864 -0.612 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.507 9.369 1.086 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.428 10.522 0.735 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.972 10.526 -0.390 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.606 11.419 1.585 1.00 0.00 O ATOM 0 H ASP A 74 -9.145 7.254 0.920 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.873 9.345 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.099 8.464 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.015 9.577 2.036 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.608 9.890 1.393 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.448 10.705 1.731 1.00 0.00 C ATOM 1117 C ILE A 75 -5.465 10.774 0.567 1.00 0.00 C ATOM 1118 O ILE A 75 -5.080 11.858 0.130 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.718 10.159 2.973 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.669 10.111 4.170 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.500 11.013 3.290 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.279 11.453 4.512 1.00 0.00 C ATOM 0 H ILE A 75 -7.871 9.213 2.109 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.820 11.706 1.949 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.380 9.145 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.469 9.401 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.128 9.735 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.995 10.614 4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.816 11.000 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.815 12.038 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.942 11.343 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.487 12.162 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.848 11.822 3.659 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.066 9.609 0.068 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.131 9.537 -1.049 1.00 0.00 C ATOM 1136 C ALA A 76 -4.546 10.479 -2.174 1.00 0.00 C ATOM 1137 O ALA A 76 -3.862 11.463 -2.455 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.033 8.109 -1.563 1.00 0.00 C ATOM 0 H ALA A 76 -5.375 8.703 0.419 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.150 9.851 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.332 8.070 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.682 7.457 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.015 7.775 -1.899 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.670 10.171 -2.813 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.174 10.990 -3.909 1.00 0.00 C ATOM 1146 C GLU A 77 -6.291 12.452 -3.486 1.00 0.00 C ATOM 1147 O GLU A 77 -6.007 13.361 -4.266 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.536 10.472 -4.378 1.00 0.00 C ATOM 1149 CG GLU A 77 -8.004 11.089 -5.685 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.403 10.650 -6.069 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.191 10.314 -5.160 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.711 10.642 -7.280 1.00 0.00 O ATOM 0 H GLU A 77 -6.249 9.361 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.465 10.924 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.483 9.390 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.278 10.673 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.979 12.175 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.310 10.816 -6.480 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.713 12.670 -2.245 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.868 14.020 -1.716 1.00 0.00 C ATOM 1161 C LYS A 78 -5.569 14.808 -1.845 1.00 0.00 C ATOM 1162 O LYS A 78 -5.543 15.886 -2.438 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.302 13.968 -0.249 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.809 13.964 -0.060 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.199 13.398 1.295 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.019 14.426 2.401 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.161 15.380 2.463 1.00 0.00 N ATOM 0 H LYS A 78 -6.954 11.929 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.638 14.525 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.884 13.074 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.881 14.825 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.191 14.980 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.274 13.374 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.238 13.069 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.592 12.519 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.920 13.915 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.093 14.978 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.000 16.064 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.240 15.886 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.041 14.857 2.645 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.493 14.261 -1.288 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.190 14.914 -1.343 1.00 0.00 C ATOM 1183 C GLU A 79 -2.326 14.314 -2.448 1.00 0.00 C ATOM 1184 O GLU A 79 -2.049 14.963 -3.457 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.474 14.788 0.004 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.262 15.365 1.168 1.00 0.00 C ATOM 1187 CD GLU A 79 -2.959 16.832 1.407 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -3.162 17.639 0.476 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -2.520 17.172 2.525 1.00 0.00 O ATOM 0 H GLU A 79 -4.498 13.369 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.351 15.969 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.270 13.735 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.510 15.293 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.328 15.245 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.035 14.799 2.072 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.904 13.070 -2.251 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.071 12.380 -3.230 1.00 0.00 C ATOM 1198 C LEU A 80 -1.612 12.580 -4.642 1.00 0.00 C ATOM 1199 O LEU A 80 -0.850 12.784 -5.587 1.00 0.00 O ATOM 1200 CB LEU A 80 -0.998 10.887 -2.905 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.681 10.531 -1.453 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.687 9.022 -1.260 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.660 11.118 -1.040 1.00 0.00 C ATOM 0 H LEU A 80 -2.125 12.518 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.068 12.805 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.952 10.431 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.240 10.433 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.454 10.961 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.459 8.787 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.670 8.627 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.064 8.569 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.869 10.854 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.445 10.718 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.628 12.203 -1.139 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.933 12.521 -4.778 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.554 12.699 -6.077 1.00 0.00 C ATOM 1217 C GLY A 81 -3.679 11.398 -6.843 1.00 0.00 C ATOM 1218 O GLY A 81 -3.714 11.395 -8.074 1.00 0.00 O ATOM 0 H GLY A 81 -3.584 12.353 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.544 13.136 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.968 13.407 -6.663 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.745 10.288 -6.115 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.866 8.974 -6.735 1.00 0.00 C ATOM 1224 C ILE A 82 -5.277 8.420 -6.575 1.00 0.00 C ATOM 1225 O ILE A 82 -5.631 7.888 -5.523 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.862 7.974 -6.133 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.428 8.457 -6.359 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -3.063 6.593 -6.739 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.397 7.682 -5.569 1.00 0.00 C ATOM 0 H ILE A 82 -3.717 10.272 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.647 9.103 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.037 7.908 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.191 8.383 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.362 9.511 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.346 5.897 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.076 6.248 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.911 6.643 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.596 8.079 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.608 7.777 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.435 6.631 -5.854 1.00 0.00 H new ATOM 1241 N SER A 83 -6.079 8.546 -7.628 1.00 0.00 N ATOM 1242 CA SER A 83 -7.453 8.058 -7.605 1.00 0.00 C ATOM 1243 C SER A 83 -7.499 6.580 -7.233 1.00 0.00 C ATOM 1244 O SER A 83 -6.752 5.756 -7.762 1.00 0.00 O ATOM 1245 CB SER A 83 -8.116 8.274 -8.966 1.00 0.00 C ATOM 1246 OG SER A 83 -9.288 7.487 -9.094 1.00 0.00 O ATOM 0 H SER A 83 -5.801 8.982 -8.507 1.00 0.00 H new ATOM 0 HA SER A 83 -8.000 8.622 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.367 9.328 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.414 8.019 -9.760 1.00 0.00 H new ATOM 0 HG SER A 83 -9.694 7.645 -9.972 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.398 6.233 -6.299 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.564 4.852 -5.835 1.00 0.00 C ATOM 1254 C PRO A 84 -9.179 3.952 -6.901 1.00 0.00 C ATOM 1255 O PRO A 84 -10.045 4.380 -7.664 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.513 4.991 -4.641 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.272 6.246 -4.905 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.321 7.161 -5.626 1.00 0.00 C ATOM 0 HA PRO A 84 -7.609 4.388 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.181 4.133 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.962 5.051 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.157 6.047 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.617 6.697 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.841 7.799 -6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.795 7.820 -4.935 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.725 2.704 -6.948 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.232 1.744 -7.921 1.00 0.00 C ATOM 1268 C ILE A 85 -10.508 1.075 -7.419 1.00 0.00 C ATOM 1269 O ILE A 85 -11.431 0.818 -8.192 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.187 0.657 -8.237 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.750 -0.049 -6.952 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.988 1.267 -8.947 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.932 -1.298 -7.197 1.00 0.00 C ATOM 0 H ILE A 85 -8.008 2.334 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.450 2.303 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.640 -0.081 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.167 0.645 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.635 -0.312 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.258 0.487 -9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.313 1.729 -9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.532 2.023 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.657 -1.746 -6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.520 -2.010 -7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.029 -1.039 -7.750 1.00 0.00 H new ATOM 1285 N MET A 86 -10.554 0.799 -6.120 1.00 0.00 N ATOM 1286 CA MET A 86 -11.718 0.163 -5.515 1.00 0.00 C ATOM 1287 C MET A 86 -12.090 0.847 -4.203 1.00 0.00 C ATOM 1288 O MET A 86 -11.311 1.626 -3.654 1.00 0.00 O ATOM 1289 CB MET A 86 -11.446 -1.322 -5.270 1.00 0.00 C ATOM 1290 CG MET A 86 -11.072 -2.087 -6.530 1.00 0.00 C ATOM 1291 SD MET A 86 -10.894 -3.858 -6.240 1.00 0.00 S ATOM 1292 CE MET A 86 -9.281 -3.914 -5.463 1.00 0.00 C ATOM 0 H MET A 86 -9.799 1.006 -5.466 1.00 0.00 H new ATOM 0 HA MET A 86 -12.555 0.262 -6.206 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.640 -1.420 -4.542 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.332 -1.777 -4.828 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.835 -1.922 -7.291 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.137 -1.692 -6.926 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.284 -4.665 -4.673 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.528 -4.173 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.049 -2.938 -5.036 1.00 0.00 H new ATOM 1302 N THR A 87 -13.287 0.550 -3.705 1.00 0.00 N ATOM 1303 CA THR A 87 -13.763 1.137 -2.459 1.00 0.00 C ATOM 1304 C THR A 87 -13.490 0.214 -1.277 1.00 0.00 C ATOM 1305 O THR A 87 -13.500 -1.008 -1.416 1.00 0.00 O ATOM 1306 CB THR A 87 -15.271 1.441 -2.521 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.989 0.277 -2.946 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.552 2.593 -3.474 1.00 0.00 C ATOM 0 H THR A 87 -13.944 -0.094 -4.146 1.00 0.00 H new ATOM 0 HA THR A 87 -13.218 2.071 -2.321 1.00 0.00 H new ATOM 0 HB THR A 87 -15.603 1.727 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.947 0.479 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.624 2.789 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.028 3.485 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.206 2.331 -4.474 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.247 0.807 -0.112 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.975 0.022 1.078 1.00 0.00 C ATOM 1318 C GLY A 88 -13.907 -1.166 1.213 1.00 0.00 C ATOM 1319 O GLY A 88 -13.463 -2.288 1.460 1.00 0.00 O ATOM 0 H GLY A 88 -13.234 1.817 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.944 -0.330 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.071 0.657 1.959 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.203 -0.921 1.054 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.201 -1.979 1.159 1.00 0.00 C ATOM 1325 C LYS A 89 -15.959 -3.062 0.113 1.00 0.00 C ATOM 1326 O LYS A 89 -15.974 -4.253 0.425 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.608 -1.400 0.993 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.702 -2.290 1.555 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.053 -3.415 0.597 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.073 -4.367 1.205 1.00 0.00 C ATOM 1331 NZ LYS A 89 -20.686 -5.253 0.177 1.00 0.00 N ATOM 0 H LYS A 89 -15.587 0.002 0.852 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.114 -2.428 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.653 -0.429 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.799 -1.229 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.377 -2.710 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.591 -1.692 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.450 -2.996 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.150 -3.966 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.591 -4.977 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.855 -3.793 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.539 -5.700 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.943 -4.689 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.005 -5.989 -0.098 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.734 -2.641 -1.127 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.488 -3.577 -2.218 1.00 0.00 C ATOM 1347 C GLU A 90 -14.218 -4.385 -1.966 1.00 0.00 C ATOM 1348 O GLU A 90 -14.157 -5.575 -2.271 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.373 -2.827 -3.547 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.715 -2.511 -4.185 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.632 -2.402 -5.696 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -15.546 -2.053 -6.206 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.651 -2.666 -6.367 1.00 0.00 O ATOM 0 H GLU A 90 -15.717 -1.659 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.332 -4.265 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.830 -1.896 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.781 -3.424 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.431 -3.288 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.095 -1.574 -3.777 1.00 0.00 H new ATOM 1360 N MET A 91 -13.207 -3.727 -1.408 1.00 0.00 N ATOM 1361 CA MET A 91 -11.939 -4.384 -1.114 1.00 0.00 C ATOM 1362 C MET A 91 -12.130 -5.506 -0.099 1.00 0.00 C ATOM 1363 O MET A 91 -11.567 -6.591 -0.245 1.00 0.00 O ATOM 1364 CB MET A 91 -10.925 -3.368 -0.584 1.00 0.00 C ATOM 1365 CG MET A 91 -9.525 -3.937 -0.419 1.00 0.00 C ATOM 1366 SD MET A 91 -8.556 -3.849 -1.936 1.00 0.00 S ATOM 1367 CE MET A 91 -7.113 -2.954 -1.366 1.00 0.00 C ATOM 0 H MET A 91 -13.241 -2.741 -1.151 1.00 0.00 H new ATOM 0 HA MET A 91 -11.559 -4.817 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.885 -2.518 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.271 -2.990 0.378 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.007 -3.393 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.595 -4.976 -0.097 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.417 -2.820 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.417 -1.979 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.626 -3.518 -0.570 1.00 0.00 H new ATOM 1377 N ALA A 92 -12.926 -5.238 0.931 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.193 -6.225 1.969 1.00 0.00 C ATOM 1379 C ALA A 92 -14.197 -7.268 1.490 1.00 0.00 C ATOM 1380 O ALA A 92 -14.090 -8.447 1.828 1.00 0.00 O ATOM 1381 CB ALA A 92 -13.700 -5.542 3.230 1.00 0.00 C ATOM 0 H ALA A 92 -13.398 -4.344 1.068 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.258 -6.737 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.895 -6.292 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.948 -4.841 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.621 -5.003 3.007 1.00 0.00 H new ATOM 1387 N SER A 93 -15.172 -6.826 0.702 1.00 0.00 N ATOM 1388 CA SER A 93 -16.198 -7.722 0.180 1.00 0.00 C ATOM 1389 C SER A 93 -15.600 -8.711 -0.816 1.00 0.00 C ATOM 1390 O SER A 93 -15.860 -9.913 -0.746 1.00 0.00 O ATOM 1391 CB SER A 93 -17.313 -6.917 -0.490 1.00 0.00 C ATOM 1392 OG SER A 93 -18.492 -7.692 -0.623 1.00 0.00 O ATOM 0 H SER A 93 -15.273 -5.854 0.411 1.00 0.00 H new ATOM 0 HA SER A 93 -16.616 -8.283 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.525 -6.024 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.983 -6.580 -1.473 1.00 0.00 H new ATOM 0 HG SER A 93 -19.067 -7.298 -1.312 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.798 -8.197 -1.743 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.162 -9.034 -2.753 1.00 0.00 C ATOM 1400 C VAL A 94 -13.317 -10.126 -2.109 1.00 0.00 C ATOM 1401 O VAL A 94 -12.651 -9.897 -1.100 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.273 -8.199 -3.694 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.134 -7.554 -2.920 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.737 -9.064 -4.826 1.00 0.00 C ATOM 0 H VAL A 94 -14.573 -7.205 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.962 -9.493 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.880 -7.405 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.517 -6.968 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.542 -6.901 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.525 -8.329 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.111 -8.459 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.145 -9.880 -4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.570 -9.474 -5.397 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.348 -11.317 -2.699 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.579 -12.428 -2.169 1.00 0.00 C ATOM 1416 C GLY A 95 -11.091 -12.269 -2.406 1.00 0.00 C ATOM 1417 O GLY A 95 -10.283 -12.537 -1.518 1.00 0.00 O ATOM 0 H GLY A 95 -13.892 -11.532 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.766 -12.517 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.920 -13.355 -2.630 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.727 -11.834 -3.609 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.325 -11.643 -3.960 1.00 0.00 C ATOM 1423 C GLU A 96 -9.185 -10.686 -5.140 1.00 0.00 C ATOM 1424 O GLU A 96 -9.834 -10.839 -6.176 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.673 -12.986 -4.297 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.154 -12.946 -4.282 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.537 -14.319 -4.099 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.904 -15.011 -3.127 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.686 -14.701 -4.930 1.00 0.00 O ATOM 0 H GLU A 96 -11.384 -11.608 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.818 -11.207 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.015 -13.736 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.010 -13.307 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.796 -12.512 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.819 -12.291 -3.478 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.318 -9.675 -4.982 1.00 0.00 N ATOM 1437 CA PRO A 97 -8.073 -8.673 -6.024 1.00 0.00 C ATOM 1438 C PRO A 97 -7.329 -9.253 -7.222 1.00 0.00 C ATOM 1439 O PRO A 97 -7.058 -10.453 -7.275 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.209 -7.628 -5.313 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.536 -8.375 -4.214 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.511 -9.432 -3.775 1.00 0.00 C ATOM 0 HA PRO A 97 -9.001 -8.273 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.482 -7.186 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.817 -6.812 -4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.604 -8.823 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.283 -7.710 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.001 -10.337 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.126 -9.090 -2.943 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.000 -8.394 -8.181 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.286 -8.821 -9.378 1.00 0.00 C ATOM 1452 C ASP A 98 -4.823 -8.391 -9.320 1.00 0.00 C ATOM 1453 O ASP A 98 -4.517 -7.202 -9.226 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.951 -8.243 -10.628 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.351 -8.790 -11.908 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.120 -8.677 -12.082 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.113 -9.331 -12.738 1.00 0.00 O ATOM 0 H ASP A 98 -7.217 -7.398 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.325 -9.909 -9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.017 -8.467 -10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.853 -7.157 -10.619 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.922 -9.366 -9.376 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.491 -9.090 -9.330 1.00 0.00 C ATOM 1464 C LYS A 99 -2.157 -7.822 -10.109 1.00 0.00 C ATOM 1465 O LYS A 99 -1.516 -6.910 -9.585 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.705 -10.273 -9.899 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.240 -10.280 -9.497 1.00 0.00 C ATOM 1468 CD LYS A 99 0.567 -9.284 -10.313 1.00 0.00 C ATOM 1469 CE LYS A 99 2.037 -9.672 -10.370 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.775 -9.229 -9.155 1.00 0.00 N ATOM 0 H LYS A 99 -4.158 -10.355 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.208 -8.941 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.169 -11.201 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.775 -10.255 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.151 -10.040 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.171 -11.280 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.164 -9.230 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.469 -8.290 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.123 -10.754 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.495 -9.230 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.571 -8.621 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.133 -8.695 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.137 -10.061 -8.646 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.596 -7.770 -11.362 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.344 -6.612 -12.213 1.00 0.00 C ATOM 1486 C LEU A 100 -2.865 -5.334 -11.562 1.00 0.00 C ATOM 1487 O LEU A 100 -2.091 -4.447 -11.204 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.001 -6.806 -13.580 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.294 -7.770 -14.534 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.142 -8.012 -15.773 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.925 -7.230 -14.919 1.00 0.00 C ATOM 0 H LEU A 100 -3.128 -8.516 -11.811 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.266 -6.517 -12.345 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.019 -7.162 -13.424 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.075 -5.833 -14.067 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.156 -8.722 -14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.623 -8.700 -16.440 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.099 -8.443 -15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.312 -7.066 -16.288 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.436 -7.929 -15.598 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.040 -6.265 -15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.316 -7.109 -14.023 1.00 0.00 H new ATOM 1503 N SER A 101 -4.183 -5.249 -11.410 1.00 0.00 N ATOM 1504 CA SER A 101 -4.808 -4.079 -10.804 1.00 0.00 C ATOM 1505 C SER A 101 -4.040 -3.635 -9.563 1.00 0.00 C ATOM 1506 O SER A 101 -3.683 -2.465 -9.427 1.00 0.00 O ATOM 1507 CB SER A 101 -6.262 -4.385 -10.436 1.00 0.00 C ATOM 1508 OG SER A 101 -7.030 -4.676 -11.591 1.00 0.00 O ATOM 0 H SER A 101 -4.838 -5.976 -11.698 1.00 0.00 H new ATOM 0 HA SER A 101 -4.788 -3.268 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.296 -5.231 -9.750 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.695 -3.533 -9.913 1.00 0.00 H new ATOM 0 HG SER A 101 -7.954 -4.870 -11.329 1.00 0.00 H new ATOM 1514 N MET A 102 -3.791 -4.577 -8.660 1.00 0.00 N ATOM 1515 CA MET A 102 -3.064 -4.284 -7.430 1.00 0.00 C ATOM 1516 C MET A 102 -1.712 -3.646 -7.736 1.00 0.00 C ATOM 1517 O MET A 102 -1.424 -2.535 -7.291 1.00 0.00 O ATOM 1518 CB MET A 102 -2.865 -5.561 -6.613 1.00 0.00 C ATOM 1519 CG MET A 102 -4.138 -6.064 -5.952 1.00 0.00 C ATOM 1520 SD MET A 102 -4.922 -4.815 -4.915 1.00 0.00 S ATOM 1521 CE MET A 102 -3.649 -4.548 -3.684 1.00 0.00 C ATOM 0 H MET A 102 -4.082 -5.550 -8.756 1.00 0.00 H new ATOM 0 HA MET A 102 -3.656 -3.578 -6.848 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.471 -6.341 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.114 -5.378 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.840 -6.385 -6.722 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.907 -6.940 -5.347 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.032 -3.894 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.358 -5.504 -3.248 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.781 -4.084 -4.153 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.887 -4.356 -8.499 1.00 0.00 N ATOM 1532 CA VAL A 103 0.434 -3.859 -8.865 1.00 0.00 C ATOM 1533 C VAL A 103 0.342 -2.488 -9.523 1.00 0.00 C ATOM 1534 O VAL A 103 0.884 -1.507 -9.016 1.00 0.00 O ATOM 1535 CB VAL A 103 1.153 -4.829 -9.822 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.438 -4.206 -10.347 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.438 -6.151 -9.125 1.00 0.00 C ATOM 0 H VAL A 103 -1.110 -5.277 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 103 1.009 -3.778 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 103 0.499 -5.026 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.932 -4.905 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.204 -3.287 -10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.100 -3.978 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.946 -6.824 -9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.073 -5.975 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.500 -6.602 -8.803 1.00 0.00 H new ATOM 1547 N MET A 104 -0.350 -2.427 -10.657 1.00 0.00 N ATOM 1548 CA MET A 104 -0.515 -1.174 -11.384 1.00 0.00 C ATOM 1549 C MET A 104 -0.846 -0.031 -10.430 1.00 0.00 C ATOM 1550 O MET A 104 -0.205 1.020 -10.458 1.00 0.00 O ATOM 1551 CB MET A 104 -1.616 -1.311 -12.437 1.00 0.00 C ATOM 1552 CG MET A 104 -1.298 -2.329 -13.520 1.00 0.00 C ATOM 1553 SD MET A 104 -2.353 -2.150 -14.972 1.00 0.00 S ATOM 1554 CE MET A 104 -2.087 -3.727 -15.779 1.00 0.00 C ATOM 0 H MET A 104 -0.805 -3.230 -11.091 1.00 0.00 H new ATOM 0 HA MET A 104 0.427 -0.946 -11.882 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.546 -1.596 -11.944 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.786 -0.340 -12.901 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.255 -2.223 -13.818 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.413 -3.334 -13.114 1.00 0.00 H new ATOM 0 HE1 MET A 104 -1.789 -3.560 -16.814 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.301 -4.274 -15.259 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.009 -4.308 -15.756 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.851 -0.242 -9.588 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.270 0.772 -8.627 1.00 0.00 C ATOM 1566 C TYR A 105 -1.111 1.174 -7.720 1.00 0.00 C ATOM 1567 O TYR A 105 -0.634 2.308 -7.766 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.437 0.255 -7.785 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.816 1.176 -6.646 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.532 2.343 -6.880 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.459 0.877 -5.337 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.879 3.187 -5.843 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.803 1.714 -4.294 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.513 2.869 -4.552 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.859 3.706 -3.516 1.00 0.00 O ATOM 0 H TYR A 105 -2.391 -1.106 -9.551 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.594 1.652 -9.183 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.304 0.112 -8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.177 -0.723 -7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.822 2.595 -7.889 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.903 -0.026 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.434 4.092 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.518 1.466 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.667 3.367 -3.077 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.662 0.234 -6.894 1.00 0.00 N ATOM 1586 CA LEU A 106 0.442 0.488 -5.975 1.00 0.00 C ATOM 1587 C LEU A 106 1.579 1.223 -6.678 1.00 0.00 C ATOM 1588 O LEU A 106 2.059 2.251 -6.200 1.00 0.00 O ATOM 1589 CB LEU A 106 0.956 -0.828 -5.389 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.048 -1.632 -4.561 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.394 -3.082 -4.446 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.218 -1.013 -3.181 1.00 0.00 C ATOM 0 H LEU A 106 -1.045 -0.710 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 106 0.071 1.119 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.306 -1.456 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.821 -0.610 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.012 -1.607 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.333 -3.638 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.463 -3.521 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.369 -3.128 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.936 -1.598 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.742 -1.006 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.582 0.009 -3.283 1.00 0.00 H new ATOM 1604 N THR A 107 2.005 0.689 -7.819 1.00 0.00 N ATOM 1605 CA THR A 107 3.084 1.294 -8.589 1.00 0.00 C ATOM 1606 C THR A 107 3.094 2.810 -8.425 1.00 0.00 C ATOM 1607 O THR A 107 4.149 3.414 -8.231 1.00 0.00 O ATOM 1608 CB THR A 107 2.965 0.953 -10.087 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.048 -0.465 -10.274 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.062 1.639 -10.887 1.00 0.00 C ATOM 0 H THR A 107 1.619 -0.161 -8.230 1.00 0.00 H new ATOM 0 HA THR A 107 4.017 0.883 -8.203 1.00 0.00 H new ATOM 0 HB THR A 107 1.999 1.311 -10.443 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.225 -0.887 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.957 1.383 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.980 2.719 -10.766 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.036 1.307 -10.528 1.00 0.00 H new ATOM 1618 N GLN A 108 1.915 3.417 -8.503 1.00 0.00 N ATOM 1619 CA GLN A 108 1.790 4.863 -8.363 1.00 0.00 C ATOM 1620 C GLN A 108 2.533 5.356 -7.126 1.00 0.00 C ATOM 1621 O GLN A 108 3.405 6.221 -7.217 1.00 0.00 O ATOM 1622 CB GLN A 108 0.315 5.263 -8.279 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.497 4.849 -9.495 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.932 5.334 -9.431 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.224 6.488 -9.746 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.837 4.453 -9.023 1.00 0.00 N ATOM 0 H GLN A 108 1.033 2.931 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 108 2.236 5.328 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.125 4.814 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.247 6.344 -8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.024 5.243 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.488 3.762 -9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.551 3.507 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.819 4.722 -8.961 1.00 0.00 H new ATOM 1635 N PHE A 109 2.184 4.800 -5.970 1.00 0.00 N ATOM 1636 CA PHE A 109 2.817 5.185 -4.715 1.00 0.00 C ATOM 1637 C PHE A 109 4.335 5.052 -4.808 1.00 0.00 C ATOM 1638 O PHE A 109 5.068 6.016 -4.584 1.00 0.00 O ATOM 1639 CB PHE A 109 2.289 4.322 -3.567 1.00 0.00 C ATOM 1640 CG PHE A 109 0.852 4.595 -3.224 1.00 0.00 C ATOM 1641 CD1 PHE A 109 0.518 5.604 -2.336 1.00 0.00 C ATOM 1642 CD2 PHE A 109 -0.164 3.842 -3.790 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -0.803 5.858 -2.019 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.487 4.092 -3.477 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.807 5.100 -2.589 1.00 0.00 C ATOM 0 H PHE A 109 1.466 4.081 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 109 2.572 6.229 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.397 3.271 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.904 4.491 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.299 6.199 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.080 3.051 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.050 6.649 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.270 3.499 -3.927 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.840 5.295 -2.341 1.00 0.00 H new ATOM 1655 N TYR A 110 4.798 3.853 -5.139 1.00 0.00 N ATOM 1656 CA TYR A 110 6.228 3.592 -5.260 1.00 0.00 C ATOM 1657 C TYR A 110 6.894 4.620 -6.169 1.00 0.00 C ATOM 1658 O TYR A 110 7.780 5.361 -5.742 1.00 0.00 O ATOM 1659 CB TYR A 110 6.467 2.183 -5.804 1.00 0.00 C ATOM 1660 CG TYR A 110 7.752 2.047 -6.589 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.961 1.817 -5.945 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.756 2.147 -7.975 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.138 1.692 -6.659 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.928 2.023 -8.697 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.116 1.796 -8.034 1.00 0.00 C ATOM 1666 OH TYR A 110 11.286 1.672 -8.748 1.00 0.00 O ATOM 0 H TYR A 110 4.204 3.045 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 110 6.671 3.670 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.483 1.479 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.629 1.902 -6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.982 1.734 -4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.827 2.325 -8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.070 1.514 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.914 2.103 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 110 11.097 1.769 -9.705 1.00 0.00 H new ATOM 1676 N GLU A 111 6.461 4.660 -7.425 1.00 0.00 N ATOM 1677 CA GLU A 111 7.015 5.597 -8.395 1.00 0.00 C ATOM 1678 C GLU A 111 7.001 7.020 -7.845 1.00 0.00 C ATOM 1679 O GLU A 111 7.843 7.843 -8.204 1.00 0.00 O ATOM 1680 CB GLU A 111 6.226 5.536 -9.704 1.00 0.00 C ATOM 1681 CG GLU A 111 6.471 4.268 -10.505 1.00 0.00 C ATOM 1682 CD GLU A 111 6.206 4.452 -11.986 1.00 0.00 C ATOM 1683 OE1 GLU A 111 6.824 5.354 -12.591 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.381 3.697 -12.541 1.00 0.00 O ATOM 0 H GLU A 111 5.728 4.054 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 111 8.049 5.311 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.162 5.615 -9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.488 6.399 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.503 3.946 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.833 3.472 -10.122 1.00 0.00 H new ATOM 1691 N MET A 112 6.039 7.302 -6.973 1.00 0.00 N ATOM 1692 CA MET A 112 5.915 8.626 -6.373 1.00 0.00 C ATOM 1693 C MET A 112 6.975 8.835 -5.296 1.00 0.00 C ATOM 1694 O MET A 112 7.631 9.876 -5.251 1.00 0.00 O ATOM 1695 CB MET A 112 4.519 8.810 -5.775 1.00 0.00 C ATOM 1696 CG MET A 112 4.265 10.212 -5.247 1.00 0.00 C ATOM 1697 SD MET A 112 2.543 10.477 -4.783 1.00 0.00 S ATOM 1698 CE MET A 112 1.948 11.397 -6.200 1.00 0.00 C ATOM 0 H MET A 112 5.334 6.632 -6.666 1.00 0.00 H new ATOM 0 HA MET A 112 6.067 9.369 -7.156 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.773 8.576 -6.535 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.383 8.095 -4.964 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.902 10.391 -4.381 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.549 10.940 -6.008 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.913 11.122 -6.404 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.005 12.465 -5.990 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.563 11.165 -7.069 1.00 0.00 H new ATOM 1708 N PHE A 113 7.136 7.841 -4.430 1.00 0.00 N ATOM 1709 CA PHE A 113 8.115 7.917 -3.352 1.00 0.00 C ATOM 1710 C PHE A 113 9.299 6.994 -3.625 1.00 0.00 C ATOM 1711 O PHE A 113 9.846 6.379 -2.710 1.00 0.00 O ATOM 1712 CB PHE A 113 7.465 7.548 -2.017 1.00 0.00 C ATOM 1713 CG PHE A 113 6.230 8.348 -1.710 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.282 9.731 -1.649 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.018 7.716 -1.483 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.148 10.468 -1.366 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.881 8.448 -1.200 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.946 9.827 -1.143 1.00 0.00 C ATOM 0 H PHE A 113 6.601 6.973 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 113 8.481 8.943 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.209 6.489 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.190 7.693 -1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.219 10.239 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.961 6.638 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.202 11.546 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.943 7.943 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.058 10.402 -0.924 1.00 0.00 H new ATOM 1728 N LYS A 114 9.689 6.903 -4.892 1.00 0.00 N ATOM 1729 CA LYS A 114 10.808 6.057 -5.289 1.00 0.00 C ATOM 1730 C LYS A 114 12.137 6.770 -5.062 1.00 0.00 C ATOM 1731 O LYS A 114 13.083 6.188 -4.531 1.00 0.00 O ATOM 1732 CB LYS A 114 10.676 5.659 -6.761 1.00 0.00 C ATOM 1733 CG LYS A 114 10.799 6.829 -7.721 1.00 0.00 C ATOM 1734 CD LYS A 114 10.739 6.371 -9.169 1.00 0.00 C ATOM 1735 CE LYS A 114 11.190 7.469 -10.120 1.00 0.00 C ATOM 1736 NZ LYS A 114 11.489 6.938 -11.479 1.00 0.00 N ATOM 0 H LYS A 114 9.246 7.405 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 114 10.788 5.158 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.443 4.922 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.711 5.175 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.997 7.543 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.739 7.350 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.371 5.492 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.720 6.071 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.413 8.230 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.078 7.956 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.793 7.717 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.248 6.230 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.635 6.495 -11.874 1.00 0.00 H new