USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot -169:sc= 0.00192 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.9!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.409 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -174:sc= 0.383 (180deg=-0.0445) USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 15 ASN : amide:sc= 1.15 K(o=3,f=0.75) USER MOD Set 4.2: A 17 THR OG1 : rot 172:sc= 1.86 USER MOD Single : A 8 THR OG1 : rot -16:sc= 0.546 USER MOD Single : A 9 THR OG1 : rot -145:sc= 0.48 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00141 X(o=-0.0014,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.272 K(o=-0.27,f=-6!) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0233) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.38 F(o=-2.2,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0.0329 (180deg=-0.624) USER MOD Single : A 27 THR OG1 : rot 109:sc= 0.193 USER MOD Single : A 29 ASN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= 0.0357 (180deg=-0.475) USER MOD Single : A 34 GLN : amide:sc= -0.531 K(o=-0.53,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 51:sc= 0.128 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.047 USER MOD Single : A 42 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.012) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 67:sc= 0.371 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 132:sc= 0.935 (180deg=0.139) USER MOD Single : A 57 MET CE :methyl -129:sc=-0.00565 (180deg=-0.146) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 64 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 90 ASN : amide:sc= 0.0566 X(o=0.057,f=-0.012) USER MOD Single : A 94 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.073) USER MOD Single : A 99 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 0.112 17.707 0.649 1.00 3.12 N ATOM 83 CA THR A 8 0.107 16.481 -0.138 1.00 11.05 C ATOM 84 C THR A 8 0.341 15.309 0.824 1.00 62.51 C ATOM 85 O THR A 8 1.127 15.419 1.763 1.00 60.20 O ATOM 86 CB THR A 8 1.164 16.574 -1.255 1.00 71.52 C ATOM 87 OG1 THR A 8 2.259 17.385 -0.865 1.00 43.23 O ATOM 88 CG2 THR A 8 0.573 17.185 -2.528 1.00 42.54 C ATOM 0 HA THR A 8 -0.848 16.325 -0.640 1.00 11.05 H new ATOM 0 HB THR A 8 1.499 15.554 -1.444 1.00 71.52 H new ATOM 0 HG1 THR A 8 2.010 17.914 -0.079 1.00 43.23 H new ATOM 0 HG21 THR A 8 1.343 17.237 -3.298 1.00 42.54 H new ATOM 0 HG22 THR A 8 -0.251 16.565 -2.881 1.00 42.54 H new ATOM 0 HG23 THR A 8 0.206 18.189 -2.313 1.00 42.54 H new ATOM 96 N THR A 9 -0.420 14.231 0.655 1.00 44.40 N ATOM 97 CA THR A 9 -0.380 13.005 1.441 1.00 52.10 C ATOM 98 C THR A 9 0.917 12.240 1.218 1.00 12.23 C ATOM 99 O THR A 9 1.425 12.215 0.092 1.00 40.33 O ATOM 100 CB THR A 9 -1.563 12.108 1.011 1.00 55.32 C ATOM 101 OG1 THR A 9 -2.007 12.380 -0.322 1.00 13.12 O ATOM 102 CG2 THR A 9 -2.713 12.289 1.986 1.00 4.11 C ATOM 0 H THR A 9 -1.125 14.190 -0.081 1.00 44.40 H new ATOM 0 HA THR A 9 -0.445 13.269 2.497 1.00 52.10 H new ATOM 0 HB THR A 9 -1.212 11.076 1.024 1.00 55.32 H new ATOM 0 HG1 THR A 9 -2.980 12.271 -0.371 1.00 13.12 H new ATOM 0 HG21 THR A 9 -3.548 11.657 1.685 1.00 4.11 H new ATOM 0 HG22 THR A 9 -2.388 12.008 2.988 1.00 4.11 H new ATOM 0 HG23 THR A 9 -3.029 13.332 1.987 1.00 4.11 H new ATOM 110 N THR A 10 1.352 11.480 2.224 1.00 1.04 N ATOM 111 CA THR A 10 2.395 10.471 2.064 1.00 13.23 C ATOM 112 C THR A 10 1.745 9.089 2.048 1.00 71.34 C ATOM 113 O THR A 10 0.708 8.889 2.690 1.00 32.44 O ATOM 114 CB THR A 10 3.420 10.536 3.212 1.00 13.24 C ATOM 115 OG1 THR A 10 3.445 11.780 3.892 1.00 53.00 O ATOM 116 CG2 THR A 10 4.825 10.222 2.695 1.00 3.42 C ATOM 0 H THR A 10 0.989 11.549 3.175 1.00 1.04 H new ATOM 0 HA THR A 10 2.921 10.661 1.128 1.00 13.23 H new ATOM 0 HB THR A 10 3.097 9.784 3.932 1.00 13.24 H new ATOM 0 HG1 THR A 10 4.115 11.749 4.607 1.00 53.00 H new ATOM 0 HG21 THR A 10 5.536 10.273 3.520 1.00 3.42 H new ATOM 0 HG22 THR A 10 4.839 9.221 2.265 1.00 3.42 H new ATOM 0 HG23 THR A 10 5.103 10.949 1.932 1.00 3.42 H new ATOM 124 N ILE A 11 2.359 8.116 1.381 1.00 23.11 N ATOM 125 CA ILE A 11 2.043 6.696 1.511 1.00 3.03 C ATOM 126 C ILE A 11 3.352 6.017 1.931 1.00 73.24 C ATOM 127 O ILE A 11 4.436 6.521 1.635 1.00 71.20 O ATOM 128 CB ILE A 11 1.461 6.149 0.184 1.00 20.13 C ATOM 129 CG1 ILE A 11 0.150 6.860 -0.218 1.00 61.14 C ATOM 130 CG2 ILE A 11 1.156 4.643 0.264 1.00 63.43 C ATOM 131 CD1 ILE A 11 -0.057 6.864 -1.731 1.00 43.32 C ATOM 0 H ILE A 11 3.111 8.298 0.717 1.00 23.11 H new ATOM 0 HA ILE A 11 1.272 6.500 2.257 1.00 3.03 H new ATOM 0 HB ILE A 11 2.233 6.339 -0.562 1.00 20.13 H new ATOM 0 HG12 ILE A 11 -0.694 6.364 0.262 1.00 61.14 H new ATOM 0 HG13 ILE A 11 0.167 7.886 0.148 1.00 61.14 H new ATOM 0 HG21 ILE A 11 0.750 4.303 -0.689 1.00 63.43 H new ATOM 0 HG22 ILE A 11 2.074 4.097 0.483 1.00 63.43 H new ATOM 0 HG23 ILE A 11 0.428 4.461 1.055 1.00 63.43 H new ATOM 0 HD11 ILE A 11 -0.991 7.374 -1.969 1.00 43.32 H new ATOM 0 HD12 ILE A 11 0.773 7.383 -2.210 1.00 43.32 H new ATOM 0 HD13 ILE A 11 -0.101 5.837 -2.095 1.00 43.32 H new ATOM 142 N ARG A 12 3.279 4.871 2.613 1.00 3.34 N ATOM 143 CA ARG A 12 4.439 4.039 2.916 1.00 14.44 C ATOM 144 C ARG A 12 4.050 2.579 2.759 1.00 31.14 C ATOM 145 O ARG A 12 3.055 2.144 3.330 1.00 52.41 O ATOM 146 CB ARG A 12 4.998 4.350 4.316 1.00 0.22 C ATOM 147 CG ARG A 12 6.274 3.539 4.625 1.00 53.43 C ATOM 148 CD ARG A 12 6.214 2.835 5.980 1.00 33.12 C ATOM 149 NE ARG A 12 6.938 3.564 7.029 1.00 15.43 N ATOM 150 CZ ARG A 12 6.496 4.491 7.875 1.00 35.43 C ATOM 151 NH1 ARG A 12 5.241 4.904 7.788 1.00 64.23 N ATOM 152 NH2 ARG A 12 7.298 4.984 8.809 1.00 0.20 N ATOM 0 H ARG A 12 2.402 4.494 2.973 1.00 3.34 H new ATOM 0 HA ARG A 12 5.244 4.260 2.215 1.00 14.44 H new ATOM 0 HB2 ARG A 12 5.219 5.415 4.389 1.00 0.22 H new ATOM 0 HB3 ARG A 12 4.239 4.130 5.066 1.00 0.22 H new ATOM 0 HG2 ARG A 12 6.426 2.797 3.841 1.00 53.43 H new ATOM 0 HG3 ARG A 12 7.136 4.205 4.605 1.00 53.43 H new ATOM 0 HD2 ARG A 12 5.172 2.717 6.278 1.00 33.12 H new ATOM 0 HD3 ARG A 12 6.633 1.833 5.884 1.00 33.12 H new ATOM 0 HE ARG A 12 7.925 3.325 7.123 1.00 15.43 H new ATOM 0 HH11 ARG A 12 4.623 4.512 7.077 1.00 64.23 H new ATOM 0 HH12 ARG A 12 4.892 5.614 8.432 1.00 64.23 H new ATOM 0 HH21 ARG A 12 8.260 4.653 8.882 1.00 0.20 H new ATOM 0 HH22 ARG A 12 6.953 5.694 9.454 1.00 0.20 H new ATOM 163 N LEU A 13 4.795 1.824 1.972 1.00 22.14 N ATOM 164 CA LEU A 13 4.599 0.387 1.808 1.00 24.44 C ATOM 165 C LEU A 13 5.589 -0.346 2.710 1.00 34.20 C ATOM 166 O LEU A 13 6.726 0.103 2.856 1.00 40.34 O ATOM 167 CB LEU A 13 4.822 0.010 0.330 1.00 64.15 C ATOM 168 CG LEU A 13 3.685 0.317 -0.677 1.00 52.25 C ATOM 169 CD1 LEU A 13 2.812 -0.911 -0.931 1.00 52.13 C ATOM 170 CD2 LEU A 13 2.764 1.478 -0.289 1.00 3.30 C ATOM 0 H LEU A 13 5.567 2.194 1.418 1.00 22.14 H new ATOM 0 HA LEU A 13 3.585 0.103 2.088 1.00 24.44 H new ATOM 0 HB2 LEU A 13 5.720 0.523 -0.014 1.00 64.15 H new ATOM 0 HB3 LEU A 13 5.028 -1.059 0.285 1.00 64.15 H new ATOM 0 HG LEU A 13 4.221 0.615 -1.578 1.00 52.25 H new ATOM 0 HD11 LEU A 13 2.026 -0.658 -1.642 1.00 52.13 H new ATOM 0 HD12 LEU A 13 3.425 -1.715 -1.339 1.00 52.13 H new ATOM 0 HD13 LEU A 13 2.362 -1.238 0.006 1.00 52.13 H new ATOM 0 HD21 LEU A 13 2.003 1.611 -1.058 1.00 3.30 H new ATOM 0 HD22 LEU A 13 2.282 1.258 0.664 1.00 3.30 H new ATOM 0 HD23 LEU A 13 3.350 2.392 -0.196 1.00 3.30 H new ATOM 181 N ILE A 14 5.160 -1.460 3.311 1.00 22.10 N ATOM 182 CA ILE A 14 5.948 -2.298 4.202 1.00 34.32 C ATOM 183 C ILE A 14 5.742 -3.754 3.776 1.00 24.12 C ATOM 184 O ILE A 14 4.612 -4.160 3.483 1.00 15.43 O ATOM 185 CB ILE A 14 5.494 -2.087 5.664 1.00 24.43 C ATOM 186 CG1 ILE A 14 5.376 -0.607 6.087 1.00 22.13 C ATOM 187 CG2 ILE A 14 6.507 -2.733 6.616 1.00 41.41 C ATOM 188 CD1 ILE A 14 4.013 0.049 5.844 1.00 24.31 C ATOM 0 H ILE A 14 4.212 -1.812 3.180 1.00 22.10 H new ATOM 0 HA ILE A 14 7.005 -2.038 4.142 1.00 34.32 H new ATOM 0 HB ILE A 14 4.504 -2.539 5.722 1.00 24.43 H new ATOM 0 HG12 ILE A 14 5.610 -0.532 7.149 1.00 22.13 H new ATOM 0 HG13 ILE A 14 6.134 -0.034 5.553 1.00 22.13 H new ATOM 0 HG21 ILE A 14 6.185 -2.583 7.646 1.00 41.41 H new ATOM 0 HG22 ILE A 14 6.572 -3.801 6.408 1.00 41.41 H new ATOM 0 HG23 ILE A 14 7.485 -2.275 6.471 1.00 41.41 H new ATOM 0 HD11 ILE A 14 4.044 1.086 6.178 1.00 24.31 H new ATOM 0 HD12 ILE A 14 3.778 0.017 4.780 1.00 24.31 H new ATOM 0 HD13 ILE A 14 3.246 -0.489 6.401 1.00 24.31 H new ATOM 199 N ASN A 15 6.810 -4.556 3.765 1.00 53.22 N ATOM 200 CA ASN A 15 6.765 -5.947 3.324 1.00 24.22 C ATOM 201 C ASN A 15 6.952 -6.917 4.492 1.00 55.21 C ATOM 202 O ASN A 15 7.992 -7.561 4.612 1.00 53.21 O ATOM 203 CB ASN A 15 7.815 -6.174 2.235 1.00 74.31 C ATOM 204 CG ASN A 15 7.704 -7.572 1.653 1.00 11.30 C ATOM 205 OD1 ASN A 15 6.661 -8.221 1.729 1.00 13.33 O ATOM 206 ND2 ASN A 15 8.771 -8.039 1.048 1.00 11.23 N ATOM 0 H ASN A 15 7.737 -4.253 4.065 1.00 53.22 H new ATOM 0 HA ASN A 15 5.778 -6.147 2.908 1.00 24.22 H new ATOM 0 HB2 ASN A 15 7.688 -5.436 1.443 1.00 74.31 H new ATOM 0 HB3 ASN A 15 8.812 -6.028 2.650 1.00 74.31 H new ATOM 0 HD21 ASN A 15 8.752 -8.966 0.623 1.00 11.23 H new ATOM 0 HD22 ASN A 15 9.620 -7.475 1.003 1.00 11.23 H new ATOM 212 N GLN A 16 5.964 -7.030 5.377 1.00 33.30 N ATOM 213 CA GLN A 16 6.092 -7.773 6.627 1.00 3.34 C ATOM 214 C GLN A 16 5.734 -9.247 6.380 1.00 15.33 C ATOM 215 O GLN A 16 4.757 -9.755 6.929 1.00 40.31 O ATOM 216 CB GLN A 16 5.261 -7.105 7.747 1.00 53.02 C ATOM 217 CG GLN A 16 5.450 -5.577 7.799 1.00 75.52 C ATOM 218 CD GLN A 16 4.750 -4.907 8.967 1.00 63.22 C ATOM 219 OE1 GLN A 16 5.334 -4.130 9.726 1.00 52.44 O ATOM 220 NE2 GLN A 16 3.459 -5.117 9.063 1.00 41.41 N ATOM 0 H GLN A 16 5.046 -6.605 5.245 1.00 33.30 H new ATOM 0 HA GLN A 16 7.123 -7.751 6.979 1.00 3.34 H new ATOM 0 HB2 GLN A 16 4.206 -7.331 7.594 1.00 53.02 H new ATOM 0 HB3 GLN A 16 5.543 -7.535 8.708 1.00 53.02 H new ATOM 0 HG2 GLN A 16 6.516 -5.355 7.852 1.00 75.52 H new ATOM 0 HG3 GLN A 16 5.080 -5.144 6.870 1.00 75.52 H new ATOM 0 HE21 GLN A 16 2.999 -5.765 8.423 1.00 41.41 H new ATOM 0 HE22 GLN A 16 2.915 -4.633 9.777 1.00 41.41 H new ATOM 227 N THR A 17 6.497 -9.917 5.515 1.00 4.23 N ATOM 228 CA THR A 17 6.287 -11.318 5.161 1.00 21.34 C ATOM 229 C THR A 17 7.595 -12.089 4.984 1.00 41.11 C ATOM 230 O THR A 17 8.696 -11.533 4.976 1.00 35.32 O ATOM 231 CB THR A 17 5.477 -11.432 3.863 1.00 63.42 C ATOM 232 OG1 THR A 17 6.184 -10.845 2.793 1.00 1.13 O ATOM 233 CG2 THR A 17 4.062 -10.903 3.995 1.00 4.41 C ATOM 0 H THR A 17 7.290 -9.493 5.034 1.00 4.23 H new ATOM 0 HA THR A 17 5.741 -11.759 5.995 1.00 21.34 H new ATOM 0 HB THR A 17 5.356 -12.493 3.643 1.00 63.42 H new ATOM 0 HG1 THR A 17 5.721 -11.037 1.951 1.00 1.13 H new ATOM 0 HG21 THR A 17 3.542 -11.012 3.043 1.00 4.41 H new ATOM 0 HG22 THR A 17 3.533 -11.466 4.764 1.00 4.41 H new ATOM 0 HG23 THR A 17 4.092 -9.850 4.273 1.00 4.41 H new ATOM 241 N TYR A 18 7.432 -13.388 4.726 1.00 60.15 N ATOM 242 CA TYR A 18 8.465 -14.328 4.329 1.00 2.34 C ATOM 243 C TYR A 18 8.951 -14.174 2.888 1.00 43.21 C ATOM 244 O TYR A 18 9.730 -15.030 2.452 1.00 15.11 O ATOM 245 CB TYR A 18 7.956 -15.763 4.546 1.00 42.05 C ATOM 246 CG TYR A 18 7.289 -16.482 3.375 1.00 64.23 C ATOM 247 CD1 TYR A 18 6.165 -15.929 2.738 1.00 40.43 C ATOM 248 CD2 TYR A 18 7.767 -17.739 2.946 1.00 73.13 C ATOM 249 CE1 TYR A 18 5.453 -16.677 1.783 1.00 64.53 C ATOM 250 CE2 TYR A 18 7.101 -18.462 1.940 1.00 15.24 C ATOM 251 CZ TYR A 18 5.921 -17.942 1.374 1.00 51.21 C ATOM 252 OH TYR A 18 5.202 -18.642 0.457 1.00 20.50 O ATOM 0 H TYR A 18 6.516 -13.832 4.795 1.00 60.15 H new ATOM 0 HA TYR A 18 9.328 -14.108 4.958 1.00 2.34 H new ATOM 0 HB2 TYR A 18 8.802 -16.370 4.870 1.00 42.05 H new ATOM 0 HB3 TYR A 18 7.244 -15.742 5.371 1.00 42.05 H new ATOM 0 HD1 TYR A 18 5.847 -14.926 2.983 1.00 40.43 H new ATOM 0 HD2 TYR A 18 8.657 -18.152 3.397 1.00 73.13 H new ATOM 0 HE1 TYR A 18 4.542 -16.280 1.360 1.00 64.53 H new ATOM 0 HE2 TYR A 18 7.492 -19.411 1.603 1.00 15.24 H new ATOM 0 HH TYR A 18 5.649 -19.495 0.273 1.00 20.50 H new ATOM 261 N PHE A 19 8.482 -13.185 2.115 1.00 22.31 N ATOM 262 CA PHE A 19 8.852 -13.068 0.711 1.00 22.33 C ATOM 263 C PHE A 19 9.422 -11.693 0.371 1.00 52.45 C ATOM 264 O PHE A 19 9.427 -10.762 1.170 1.00 75.25 O ATOM 265 CB PHE A 19 7.699 -13.474 -0.221 1.00 12.44 C ATOM 266 CG PHE A 19 6.398 -12.729 -0.019 1.00 24.40 C ATOM 267 CD1 PHE A 19 6.275 -11.347 -0.258 1.00 2.40 C ATOM 268 CD2 PHE A 19 5.290 -13.445 0.450 1.00 15.33 C ATOM 269 CE1 PHE A 19 5.044 -10.706 -0.039 1.00 72.14 C ATOM 270 CE2 PHE A 19 4.086 -12.797 0.725 1.00 13.23 C ATOM 271 CZ PHE A 19 3.945 -11.438 0.435 1.00 3.20 C ATOM 0 H PHE A 19 7.847 -12.458 2.444 1.00 22.31 H new ATOM 0 HA PHE A 19 9.659 -13.780 0.538 1.00 22.33 H new ATOM 0 HB2 PHE A 19 8.022 -13.330 -1.252 1.00 12.44 H new ATOM 0 HB3 PHE A 19 7.510 -14.540 -0.092 1.00 12.44 H new ATOM 0 HD1 PHE A 19 7.125 -10.781 -0.609 1.00 2.40 H new ATOM 0 HD2 PHE A 19 5.369 -14.512 0.601 1.00 15.33 H new ATOM 0 HE1 PHE A 19 4.944 -9.649 -0.236 1.00 72.14 H new ATOM 0 HE2 PHE A 19 3.264 -13.345 1.161 1.00 13.23 H new ATOM 0 HZ PHE A 19 2.991 -10.951 0.575 1.00 3.20 H new ATOM 280 N ASN A 20 9.867 -11.563 -0.877 1.00 2.42 N ATOM 281 CA ASN A 20 10.190 -10.316 -1.558 1.00 62.45 C ATOM 282 C ASN A 20 9.040 -9.997 -2.520 1.00 22.22 C ATOM 283 O ASN A 20 8.424 -10.924 -3.061 1.00 61.11 O ATOM 284 CB ASN A 20 11.505 -10.557 -2.304 1.00 0.45 C ATOM 285 CG ASN A 20 11.920 -9.407 -3.203 1.00 23.15 C ATOM 286 OD1 ASN A 20 12.484 -8.437 -2.735 1.00 12.03 O ATOM 287 ND2 ASN A 20 11.702 -9.508 -4.504 1.00 13.41 N ATOM 0 H ASN A 20 10.020 -12.376 -1.474 1.00 2.42 H new ATOM 0 HA ASN A 20 10.308 -9.472 -0.879 1.00 62.45 H new ATOM 0 HB2 ASN A 20 12.296 -10.741 -1.577 1.00 0.45 H new ATOM 0 HB3 ASN A 20 11.410 -11.460 -2.906 1.00 0.45 H new ATOM 0 HD21 ASN A 20 12.009 -8.765 -5.132 1.00 13.41 H new ATOM 0 HD22 ASN A 20 11.227 -10.329 -4.879 1.00 13.41 H new ATOM 293 N VAL A 21 8.749 -8.721 -2.758 1.00 14.41 N ATOM 294 CA VAL A 21 7.783 -8.255 -3.763 1.00 12.43 C ATOM 295 C VAL A 21 8.503 -7.235 -4.638 1.00 64.40 C ATOM 296 O VAL A 21 9.265 -6.412 -4.140 1.00 32.52 O ATOM 297 CB VAL A 21 6.496 -7.678 -3.159 1.00 51.21 C ATOM 298 CG1 VAL A 21 5.526 -8.778 -2.747 1.00 52.31 C ATOM 299 CG2 VAL A 21 6.730 -6.738 -1.965 1.00 1.23 C ATOM 0 H VAL A 21 9.188 -7.957 -2.245 1.00 14.41 H new ATOM 0 HA VAL A 21 7.443 -9.107 -4.352 1.00 12.43 H new ATOM 0 HB VAL A 21 6.061 -7.081 -3.961 1.00 51.21 H new ATOM 0 HG11 VAL A 21 4.627 -8.330 -2.324 1.00 52.31 H new ATOM 0 HG12 VAL A 21 5.259 -9.373 -3.620 1.00 52.31 H new ATOM 0 HG13 VAL A 21 5.998 -9.419 -2.002 1.00 52.31 H new ATOM 0 HG21 VAL A 21 5.772 -6.373 -1.596 1.00 1.23 H new ATOM 0 HG22 VAL A 21 7.242 -7.280 -1.170 1.00 1.23 H new ATOM 0 HG23 VAL A 21 7.342 -5.894 -2.281 1.00 1.23 H new ATOM 309 N LYS A 22 8.272 -7.286 -5.949 1.00 73.24 N ATOM 310 CA LYS A 22 9.148 -6.643 -6.931 1.00 14.21 C ATOM 311 C LYS A 22 8.421 -5.949 -8.072 1.00 14.04 C ATOM 312 O LYS A 22 8.999 -5.711 -9.127 1.00 63.12 O ATOM 313 CB LYS A 22 10.129 -7.695 -7.446 1.00 40.24 C ATOM 314 CG LYS A 22 9.392 -8.847 -8.132 1.00 71.12 C ATOM 315 CD LYS A 22 9.124 -10.073 -7.241 1.00 53.20 C ATOM 316 CE LYS A 22 8.075 -10.956 -7.917 1.00 55.31 C ATOM 317 NZ LYS A 22 8.546 -11.509 -9.210 1.00 54.44 N ATOM 0 H LYS A 22 7.475 -7.772 -6.361 1.00 73.24 H new ATOM 0 HA LYS A 22 9.673 -5.832 -6.427 1.00 14.21 H new ATOM 0 HB2 LYS A 22 10.825 -7.235 -8.148 1.00 40.24 H new ATOM 0 HB3 LYS A 22 10.722 -8.081 -6.617 1.00 40.24 H new ATOM 0 HG2 LYS A 22 8.439 -8.475 -8.508 1.00 71.12 H new ATOM 0 HG3 LYS A 22 9.973 -9.166 -8.997 1.00 71.12 H new ATOM 0 HD2 LYS A 22 10.045 -10.634 -7.085 1.00 53.20 H new ATOM 0 HD3 LYS A 22 8.774 -9.756 -6.259 1.00 53.20 H new ATOM 0 HE2 LYS A 22 7.810 -11.776 -7.250 1.00 55.31 H new ATOM 0 HE3 LYS A 22 7.168 -10.375 -8.083 1.00 55.31 H new ATOM 0 HZ1 LYS A 22 7.849 -12.192 -9.570 1.00 54.44 H new ATOM 0 HZ2 LYS A 22 8.660 -10.737 -9.897 1.00 54.44 H new ATOM 0 HZ3 LYS A 22 9.459 -11.987 -9.071 1.00 54.44 H new ATOM 327 N ASN A 23 7.131 -5.703 -7.901 1.00 24.15 N ATOM 328 CA ASN A 23 6.235 -5.184 -8.929 1.00 44.20 C ATOM 329 C ASN A 23 4.926 -4.792 -8.244 1.00 71.51 C ATOM 330 O ASN A 23 3.852 -5.292 -8.584 1.00 21.45 O ATOM 331 CB ASN A 23 6.017 -6.215 -10.067 1.00 64.12 C ATOM 332 CG ASN A 23 5.851 -7.648 -9.579 1.00 22.52 C ATOM 333 OD1 ASN A 23 5.020 -7.852 -8.582 1.00 34.53 O flip ATOM 334 ND2 ASN A 23 6.525 -8.579 -9.995 1.00 22.24 N flip ATOM 0 H ASN A 23 6.660 -5.864 -7.011 1.00 24.15 H new ATOM 0 HA ASN A 23 6.673 -4.309 -9.409 1.00 44.20 H new ATOM 0 HB2 ASN A 23 5.132 -5.931 -10.637 1.00 64.12 H new ATOM 0 HB3 ASN A 23 6.864 -6.171 -10.751 1.00 64.12 H new ATOM 0 HD21 ASN A 23 7.174 -8.433 -10.769 1.00 22.24 H new ATOM 0 HD22 ASN A 23 6.439 -9.502 -9.569 1.00 22.24 H new ATOM 340 N ILE A 24 5.002 -3.999 -7.175 1.00 3.24 N ATOM 341 CA ILE A 24 3.833 -3.549 -6.433 1.00 4.35 C ATOM 342 C ILE A 24 3.338 -2.274 -7.099 1.00 71.31 C ATOM 343 O ILE A 24 4.056 -1.280 -7.158 1.00 55.13 O ATOM 344 CB ILE A 24 4.119 -3.343 -4.929 1.00 53.24 C ATOM 345 CG1 ILE A 24 4.952 -4.505 -4.352 1.00 52.40 C ATOM 346 CG2 ILE A 24 2.776 -3.259 -4.192 1.00 13.14 C ATOM 347 CD1 ILE A 24 6.449 -4.211 -4.271 1.00 21.44 C ATOM 0 H ILE A 24 5.884 -3.651 -6.800 1.00 3.24 H new ATOM 0 HA ILE A 24 3.062 -4.319 -6.463 1.00 4.35 H new ATOM 0 HB ILE A 24 4.693 -2.425 -4.798 1.00 53.24 H new ATOM 0 HG12 ILE A 24 4.584 -4.743 -3.354 1.00 52.40 H new ATOM 0 HG13 ILE A 24 4.798 -5.391 -4.968 1.00 52.40 H new ATOM 0 HG21 ILE A 24 2.954 -3.113 -3.127 1.00 13.14 H new ATOM 0 HG22 ILE A 24 2.199 -2.420 -4.581 1.00 13.14 H new ATOM 0 HG23 ILE A 24 2.219 -4.184 -4.344 1.00 13.14 H new ATOM 0 HD11 ILE A 24 6.968 -5.075 -3.855 1.00 21.44 H new ATOM 0 HD12 ILE A 24 6.833 -4.003 -5.269 1.00 21.44 H new ATOM 0 HD13 ILE A 24 6.616 -3.345 -3.630 1.00 21.44 H new ATOM 358 N LYS A 25 2.133 -2.340 -7.654 1.00 20.15 N ATOM 359 CA LYS A 25 1.442 -1.278 -8.368 1.00 32.25 C ATOM 360 C LYS A 25 0.483 -0.674 -7.338 1.00 51.21 C ATOM 361 O LYS A 25 -0.447 -1.368 -6.921 1.00 32.13 O ATOM 362 CB LYS A 25 0.726 -1.916 -9.585 1.00 35.44 C ATOM 363 CG LYS A 25 1.118 -1.380 -10.972 1.00 15.32 C ATOM 364 CD LYS A 25 0.078 -0.456 -11.616 1.00 3.45 C ATOM 365 CE LYS A 25 0.184 0.992 -11.150 1.00 63.40 C ATOM 366 NZ LYS A 25 1.456 1.609 -11.562 1.00 33.25 N ATOM 0 H LYS A 25 1.578 -3.195 -7.613 1.00 20.15 H new ATOM 0 HA LYS A 25 2.086 -0.493 -8.765 1.00 32.25 H new ATOM 0 HB2 LYS A 25 0.916 -2.989 -9.568 1.00 35.44 H new ATOM 0 HB3 LYS A 25 -0.348 -1.780 -9.458 1.00 35.44 H new ATOM 0 HG2 LYS A 25 2.061 -0.840 -10.885 1.00 15.32 H new ATOM 0 HG3 LYS A 25 1.295 -2.225 -11.637 1.00 15.32 H new ATOM 0 HD2 LYS A 25 0.193 -0.491 -12.699 1.00 3.45 H new ATOM 0 HD3 LYS A 25 -0.920 -0.831 -11.389 1.00 3.45 H new ATOM 0 HE2 LYS A 25 -0.647 1.567 -11.558 1.00 63.40 H new ATOM 0 HE3 LYS A 25 0.096 1.031 -10.064 1.00 63.40 H new ATOM 0 HZ1 LYS A 25 1.348 2.643 -11.587 1.00 33.25 H new ATOM 0 HZ2 LYS A 25 2.201 1.355 -10.882 1.00 33.25 H new ATOM 0 HZ3 LYS A 25 1.718 1.265 -12.508 1.00 33.25 H new ATOM 376 N VAL A 26 0.736 0.544 -6.854 1.00 74.31 N ATOM 377 CA VAL A 26 0.008 1.144 -5.734 1.00 63.20 C ATOM 378 C VAL A 26 -0.961 2.183 -6.259 1.00 54.11 C ATOM 379 O VAL A 26 -0.508 3.050 -6.999 1.00 51.11 O ATOM 380 CB VAL A 26 0.997 1.820 -4.760 1.00 60.14 C ATOM 381 CG1 VAL A 26 0.294 2.342 -3.497 1.00 31.53 C ATOM 382 CG2 VAL A 26 2.129 0.870 -4.371 1.00 20.11 C ATOM 0 H VAL A 26 1.463 1.150 -7.235 1.00 74.31 H new ATOM 0 HA VAL A 26 -0.538 0.361 -5.207 1.00 63.20 H new ATOM 0 HB VAL A 26 1.421 2.674 -5.289 1.00 60.14 H new ATOM 0 HG11 VAL A 26 1.027 2.810 -2.840 1.00 31.53 H new ATOM 0 HG12 VAL A 26 -0.462 3.075 -3.778 1.00 31.53 H new ATOM 0 HG13 VAL A 26 -0.182 1.511 -2.976 1.00 31.53 H new ATOM 0 HG21 VAL A 26 2.808 1.375 -3.685 1.00 20.11 H new ATOM 0 HG22 VAL A 26 1.713 -0.013 -3.885 1.00 20.11 H new ATOM 0 HG23 VAL A 26 2.675 0.569 -5.265 1.00 20.11 H new ATOM 392 N THR A 27 -2.223 2.151 -5.815 1.00 41.23 N ATOM 393 CA THR A 27 -3.248 3.132 -6.185 1.00 43.41 C ATOM 394 C THR A 27 -3.835 3.769 -4.917 1.00 15.33 C ATOM 395 O THR A 27 -3.853 3.110 -3.878 1.00 51.54 O ATOM 396 CB THR A 27 -4.330 2.425 -7.022 1.00 0.23 C ATOM 397 OG1 THR A 27 -3.750 1.649 -8.046 1.00 53.44 O ATOM 398 CG2 THR A 27 -5.216 3.425 -7.722 1.00 42.25 C ATOM 0 H THR A 27 -2.565 1.431 -5.179 1.00 41.23 H new ATOM 0 HA THR A 27 -2.815 3.933 -6.785 1.00 43.41 H new ATOM 0 HB THR A 27 -4.898 1.809 -6.325 1.00 0.23 H new ATOM 0 HG1 THR A 27 -3.861 0.698 -7.838 1.00 53.44 H new ATOM 0 HG21 THR A 27 -5.970 2.897 -8.305 1.00 42.25 H new ATOM 0 HG22 THR A 27 -5.706 4.057 -6.982 1.00 42.25 H new ATOM 0 HG23 THR A 27 -4.612 4.044 -8.385 1.00 42.25 H new ATOM 406 N TRP A 28 -4.296 5.028 -4.973 1.00 51.41 N ATOM 407 CA TRP A 28 -4.856 5.763 -3.827 1.00 15.14 C ATOM 408 C TRP A 28 -6.064 6.639 -4.202 1.00 21.40 C ATOM 409 O TRP A 28 -6.340 7.675 -3.584 1.00 2.41 O ATOM 410 CB TRP A 28 -3.751 6.575 -3.144 1.00 11.34 C ATOM 411 CG TRP A 28 -2.931 7.516 -3.972 1.00 75.33 C ATOM 412 CD1 TRP A 28 -3.093 8.854 -4.085 1.00 11.45 C ATOM 413 CD2 TRP A 28 -1.708 7.207 -4.683 1.00 34.14 C ATOM 414 NE1 TRP A 28 -2.018 9.400 -4.758 1.00 55.42 N ATOM 415 CE2 TRP A 28 -1.110 8.424 -5.118 1.00 40.11 C ATOM 416 CE3 TRP A 28 -1.012 6.012 -4.920 1.00 44.44 C ATOM 417 CZ2 TRP A 28 0.160 8.449 -5.712 1.00 33.12 C ATOM 418 CZ3 TRP A 28 0.238 6.019 -5.545 1.00 35.43 C ATOM 419 CH2 TRP A 28 0.831 7.233 -5.924 1.00 60.41 C ATOM 0 H TRP A 28 -4.290 5.575 -5.834 1.00 51.41 H new ATOM 0 HA TRP A 28 -5.244 5.028 -3.121 1.00 15.14 H new ATOM 0 HB2 TRP A 28 -4.213 7.155 -2.345 1.00 11.34 H new ATOM 0 HB3 TRP A 28 -3.067 5.870 -2.671 1.00 11.34 H new ATOM 0 HD1 TRP A 28 -3.937 9.412 -3.706 1.00 11.45 H new ATOM 0 HE1 TRP A 28 -1.909 10.393 -4.962 1.00 55.42 H new ATOM 0 HE3 TRP A 28 -1.449 5.073 -4.615 1.00 44.44 H new ATOM 0 HZ2 TRP A 28 0.614 9.385 -6.001 1.00 33.12 H new ATOM 0 HZ3 TRP A 28 0.749 5.087 -5.737 1.00 35.43 H new ATOM 0 HH2 TRP A 28 1.809 7.233 -6.382 1.00 60.41 H new ATOM 429 N ASN A 29 -6.758 6.262 -5.269 1.00 40.22 N ATOM 430 CA ASN A 29 -7.814 6.997 -5.967 1.00 51.21 C ATOM 431 C ASN A 29 -8.336 6.186 -7.162 1.00 74.23 C ATOM 432 O ASN A 29 -8.335 4.951 -7.111 1.00 72.43 O ATOM 433 CB ASN A 29 -7.432 8.461 -6.295 1.00 35.00 C ATOM 434 CG ASN A 29 -8.488 9.378 -5.694 1.00 51.44 C ATOM 435 OD1 ASN A 29 -9.340 9.929 -6.382 1.00 4.32 O ATOM 436 ND2 ASN A 29 -8.491 9.476 -4.378 1.00 64.23 N ATOM 0 H ASN A 29 -6.584 5.358 -5.708 1.00 40.22 H new ATOM 0 HA ASN A 29 -8.654 7.110 -5.281 1.00 51.21 H new ATOM 0 HB2 ASN A 29 -6.449 8.697 -5.888 1.00 35.00 H new ATOM 0 HB3 ASN A 29 -7.374 8.605 -7.374 1.00 35.00 H new ATOM 0 HD21 ASN A 29 -9.215 10.021 -3.909 1.00 64.23 H new ATOM 0 HD22 ASN A 29 -7.770 9.007 -3.830 1.00 64.23 H new ATOM 442 N ASP A 30 -8.865 6.856 -8.187 1.00 12.10 N ATOM 443 CA ASP A 30 -9.403 6.273 -9.419 1.00 0.21 C ATOM 444 C ASP A 30 -8.530 6.605 -10.652 1.00 64.42 C ATOM 445 O ASP A 30 -8.989 6.462 -11.785 1.00 21.31 O ATOM 446 CB ASP A 30 -10.881 6.670 -9.583 1.00 40.21 C ATOM 447 CG ASP A 30 -11.721 6.290 -8.364 1.00 61.44 C ATOM 448 OD1 ASP A 30 -12.131 5.121 -8.194 1.00 33.11 O ATOM 449 OD2 ASP A 30 -11.943 7.147 -7.476 1.00 4.24 O ATOM 0 H ASP A 30 -8.934 7.874 -8.181 1.00 12.10 H new ATOM 0 HA ASP A 30 -9.367 5.186 -9.340 1.00 0.21 H new ATOM 0 HB2 ASP A 30 -10.950 7.745 -9.749 1.00 40.21 H new ATOM 0 HB3 ASP A 30 -11.290 6.184 -10.469 1.00 40.21 H new ATOM 453 N GLY A 31 -7.265 7.013 -10.467 1.00 14.23 N ATOM 454 CA GLY A 31 -6.287 7.143 -11.562 1.00 35.33 C ATOM 455 C GLY A 31 -4.887 7.656 -11.179 1.00 0.25 C ATOM 456 O GLY A 31 -4.010 7.785 -12.038 1.00 73.30 O ATOM 0 H GLY A 31 -6.889 7.263 -9.552 1.00 14.23 H new ATOM 0 HA2 GLY A 31 -6.175 6.168 -12.036 1.00 35.33 H new ATOM 0 HA3 GLY A 31 -6.703 7.816 -12.312 1.00 35.33 H new ATOM 460 N LYS A 32 -4.629 8.008 -9.916 1.00 40.30 N ATOM 461 CA LYS A 32 -3.281 8.181 -9.379 1.00 41.34 C ATOM 462 C LYS A 32 -2.764 6.851 -8.833 1.00 14.42 C ATOM 463 O LYS A 32 -3.150 6.428 -7.739 1.00 3.15 O ATOM 464 CB LYS A 32 -3.260 9.241 -8.266 1.00 35.23 C ATOM 465 CG LYS A 32 -2.849 10.643 -8.733 1.00 42.20 C ATOM 466 CD LYS A 32 -1.465 10.724 -9.408 1.00 73.10 C ATOM 467 CE LYS A 32 -0.333 10.104 -8.577 1.00 52.22 C ATOM 468 NZ LYS A 32 0.249 8.873 -9.149 1.00 71.01 N ATOM 0 H LYS A 32 -5.363 8.183 -9.230 1.00 40.30 H new ATOM 0 HA LYS A 32 -2.634 8.520 -10.188 1.00 41.34 H new ATOM 0 HB2 LYS A 32 -4.251 9.297 -7.816 1.00 35.23 H new ATOM 0 HB3 LYS A 32 -2.573 8.916 -7.484 1.00 35.23 H new ATOM 0 HG2 LYS A 32 -3.600 11.012 -9.432 1.00 42.20 H new ATOM 0 HG3 LYS A 32 -2.857 11.313 -7.873 1.00 42.20 H new ATOM 0 HD2 LYS A 32 -1.512 10.220 -10.374 1.00 73.10 H new ATOM 0 HD3 LYS A 32 -1.228 11.769 -9.605 1.00 73.10 H new ATOM 0 HE2 LYS A 32 0.459 10.843 -8.458 1.00 52.22 H new ATOM 0 HE3 LYS A 32 -0.713 9.881 -7.580 1.00 52.22 H new ATOM 0 HZ1 LYS A 32 0.516 8.225 -8.380 1.00 71.01 H new ATOM 0 HZ2 LYS A 32 -0.451 8.411 -9.763 1.00 71.01 H new ATOM 0 HZ3 LYS A 32 1.093 9.115 -9.707 1.00 71.01 H new ATOM 478 N GLU A 33 -1.816 6.260 -9.546 1.00 43.13 N ATOM 479 CA GLU A 33 -1.061 5.098 -9.099 1.00 42.42 C ATOM 480 C GLU A 33 0.385 5.230 -9.558 1.00 74.22 C ATOM 481 O GLU A 33 0.703 6.099 -10.378 1.00 73.33 O ATOM 482 CB GLU A 33 -1.703 3.795 -9.605 1.00 2.15 C ATOM 483 CG GLU A 33 -2.033 3.710 -11.093 1.00 31.32 C ATOM 484 CD GLU A 33 -3.374 4.317 -11.516 1.00 54.13 C ATOM 485 OE1 GLU A 33 -4.165 4.787 -10.667 1.00 35.31 O ATOM 486 OE2 GLU A 33 -3.628 4.266 -12.743 1.00 55.43 O ATOM 0 H GLU A 33 -1.544 6.583 -10.474 1.00 43.13 H new ATOM 0 HA GLU A 33 -1.077 5.054 -8.010 1.00 42.42 H new ATOM 0 HB2 GLU A 33 -1.032 2.971 -9.360 1.00 2.15 H new ATOM 0 HB3 GLU A 33 -2.624 3.633 -9.045 1.00 2.15 H new ATOM 0 HG2 GLU A 33 -1.239 4.207 -11.651 1.00 31.32 H new ATOM 0 HG3 GLU A 33 -2.022 2.661 -11.389 1.00 31.32 H new ATOM 491 N GLN A 34 1.246 4.377 -9.010 1.00 14.12 N ATOM 492 CA GLN A 34 2.688 4.304 -9.257 1.00 54.43 C ATOM 493 C GLN A 34 3.150 2.850 -9.091 1.00 22.14 C ATOM 494 O GLN A 34 2.308 1.962 -8.925 1.00 60.20 O ATOM 495 CB GLN A 34 3.423 5.293 -8.330 1.00 52.33 C ATOM 496 CG GLN A 34 3.418 4.914 -6.839 1.00 41.11 C ATOM 497 CD GLN A 34 4.545 3.987 -6.419 1.00 74.22 C ATOM 498 OE1 GLN A 34 4.320 2.859 -6.001 1.00 11.24 O ATOM 499 NE2 GLN A 34 5.773 4.423 -6.578 1.00 33.15 N ATOM 0 H GLN A 34 0.939 3.673 -8.339 1.00 14.12 H new ATOM 0 HA GLN A 34 2.928 4.602 -10.278 1.00 54.43 H new ATOM 0 HB2 GLN A 34 4.457 5.380 -8.664 1.00 52.33 H new ATOM 0 HB3 GLN A 34 2.968 6.277 -8.441 1.00 52.33 H new ATOM 0 HG2 GLN A 34 3.475 5.826 -6.245 1.00 41.11 H new ATOM 0 HG3 GLN A 34 2.466 4.438 -6.602 1.00 41.11 H new ATOM 0 HE21 GLN A 34 5.938 5.367 -6.928 1.00 33.15 H new ATOM 0 HE22 GLN A 34 6.562 3.818 -6.352 1.00 33.15 H new ATOM 506 N THR A 35 4.446 2.555 -9.179 1.00 63.20 N ATOM 507 CA THR A 35 4.974 1.259 -8.768 1.00 51.11 C ATOM 508 C THR A 35 6.312 1.449 -8.053 1.00 64.21 C ATOM 509 O THR A 35 7.102 2.342 -8.383 1.00 40.10 O ATOM 510 CB THR A 35 5.002 0.279 -9.962 1.00 2.42 C ATOM 511 OG1 THR A 35 5.729 -0.914 -9.725 1.00 2.44 O ATOM 512 CG2 THR A 35 5.523 0.898 -11.257 1.00 60.53 C ATOM 0 H THR A 35 5.151 3.201 -9.533 1.00 63.20 H new ATOM 0 HA THR A 35 4.314 0.789 -8.039 1.00 51.11 H new ATOM 0 HB THR A 35 3.947 0.029 -10.078 1.00 2.42 H new ATOM 0 HG1 THR A 35 5.426 -1.320 -8.886 1.00 2.44 H new ATOM 0 HG21 THR A 35 5.512 0.149 -12.048 1.00 60.53 H new ATOM 0 HG22 THR A 35 4.886 1.736 -11.542 1.00 60.53 H new ATOM 0 HG23 THR A 35 6.543 1.252 -11.106 1.00 60.53 H new ATOM 520 N VAL A 36 6.570 0.574 -7.082 1.00 31.35 N ATOM 521 CA VAL A 36 7.818 0.529 -6.328 1.00 64.50 C ATOM 522 C VAL A 36 8.875 -0.155 -7.210 1.00 62.12 C ATOM 523 O VAL A 36 8.523 -0.732 -8.252 1.00 23.53 O ATOM 524 CB VAL A 36 7.506 -0.148 -4.966 1.00 62.54 C ATOM 525 CG1 VAL A 36 8.745 -0.423 -4.106 1.00 2.43 C ATOM 526 CG2 VAL A 36 6.570 0.787 -4.172 1.00 24.23 C ATOM 0 H VAL A 36 5.900 -0.139 -6.793 1.00 31.35 H new ATOM 0 HA VAL A 36 8.241 1.503 -6.083 1.00 64.50 H new ATOM 0 HB VAL A 36 7.055 -1.115 -5.188 1.00 62.54 H new ATOM 0 HG11 VAL A 36 8.442 -0.897 -3.172 1.00 2.43 H new ATOM 0 HG12 VAL A 36 9.423 -1.085 -4.645 1.00 2.43 H new ATOM 0 HG13 VAL A 36 9.253 0.517 -3.888 1.00 2.43 H new ATOM 0 HG21 VAL A 36 6.335 0.334 -3.209 1.00 24.23 H new ATOM 0 HG22 VAL A 36 7.064 1.745 -4.011 1.00 24.23 H new ATOM 0 HG23 VAL A 36 5.649 0.943 -4.734 1.00 24.23 H new ATOM 536 N ASN A 37 10.152 -0.106 -6.825 1.00 12.35 N ATOM 537 CA ASN A 37 11.192 -0.944 -7.408 1.00 22.25 C ATOM 538 C ASN A 37 11.015 -2.374 -6.908 1.00 64.31 C ATOM 539 O ASN A 37 10.325 -3.174 -7.541 1.00 3.31 O ATOM 540 CB ASN A 37 12.592 -0.399 -7.115 1.00 74.32 C ATOM 541 CG ASN A 37 13.649 -1.257 -7.783 1.00 21.12 C ATOM 542 OD1 ASN A 37 13.648 -1.371 -9.003 1.00 33.42 O ATOM 543 ND2 ASN A 37 14.536 -1.861 -7.014 1.00 4.05 N ATOM 0 H ASN A 37 10.492 0.521 -6.096 1.00 12.35 H new ATOM 0 HA ASN A 37 11.092 -0.936 -8.493 1.00 22.25 H new ATOM 0 HB2 ASN A 37 12.670 0.628 -7.472 1.00 74.32 H new ATOM 0 HB3 ASN A 37 12.761 -0.376 -6.038 1.00 74.32 H new ATOM 0 HD21 ASN A 37 15.257 -2.450 -7.432 1.00 4.05 H new ATOM 0 HD22 ASN A 37 14.501 -1.739 -6.002 1.00 4.05 H new ATOM 549 N THR A 38 11.556 -2.691 -5.738 1.00 14.45 N ATOM 550 CA THR A 38 11.433 -3.968 -5.065 1.00 0.44 C ATOM 551 C THR A 38 11.445 -3.682 -3.554 1.00 13.32 C ATOM 552 O THR A 38 11.999 -2.668 -3.134 1.00 34.13 O ATOM 553 CB THR A 38 12.589 -4.877 -5.552 1.00 31.13 C ATOM 554 OG1 THR A 38 12.474 -5.180 -6.936 1.00 42.42 O ATOM 555 CG2 THR A 38 12.632 -6.227 -4.849 1.00 11.23 C ATOM 0 H THR A 38 12.121 -2.026 -5.210 1.00 14.45 H new ATOM 0 HA THR A 38 10.508 -4.498 -5.290 1.00 0.44 H new ATOM 0 HB THR A 38 13.487 -4.300 -5.330 1.00 31.13 H new ATOM 0 HG1 THR A 38 13.221 -5.753 -7.208 1.00 42.42 H new ATOM 0 HG21 THR A 38 13.465 -6.813 -5.238 1.00 11.23 H new ATOM 0 HG22 THR A 38 12.764 -6.075 -3.778 1.00 11.23 H new ATOM 0 HG23 THR A 38 11.698 -6.760 -5.028 1.00 11.23 H new ATOM 563 N LEU A 39 10.835 -4.559 -2.749 1.00 44.22 N ATOM 564 CA LEU A 39 10.847 -4.534 -1.293 1.00 64.33 C ATOM 565 C LEU A 39 11.349 -5.891 -0.830 1.00 42.42 C ATOM 566 O LEU A 39 10.669 -6.903 -1.033 1.00 60.52 O ATOM 567 CB LEU A 39 9.439 -4.227 -0.718 1.00 62.31 C ATOM 568 CG LEU A 39 9.353 -3.127 0.359 1.00 11.25 C ATOM 569 CD1 LEU A 39 10.116 -1.845 -0.016 1.00 1.11 C ATOM 570 CD2 LEU A 39 7.906 -2.717 0.662 1.00 62.32 C ATOM 0 H LEU A 39 10.295 -5.341 -3.119 1.00 44.22 H new ATOM 0 HA LEU A 39 11.500 -3.739 -0.931 1.00 64.33 H new ATOM 0 HB2 LEU A 39 8.788 -3.944 -1.545 1.00 62.31 H new ATOM 0 HB3 LEU A 39 9.036 -5.148 -0.296 1.00 62.31 H new ATOM 0 HG LEU A 39 9.814 -3.583 1.236 1.00 11.25 H new ATOM 0 HD11 LEU A 39 10.014 -1.113 0.785 1.00 1.11 H new ATOM 0 HD12 LEU A 39 11.171 -2.079 -0.162 1.00 1.11 H new ATOM 0 HD13 LEU A 39 9.705 -1.433 -0.938 1.00 1.11 H new ATOM 0 HD21 LEU A 39 7.900 -1.940 1.427 1.00 62.32 H new ATOM 0 HD22 LEU A 39 7.438 -2.336 -0.246 1.00 62.32 H new ATOM 0 HD23 LEU A 39 7.350 -3.583 1.021 1.00 62.32 H new ATOM 581 N GLY A 40 12.535 -5.885 -0.223 1.00 60.21 N ATOM 582 CA GLY A 40 13.113 -7.041 0.436 1.00 1.33 C ATOM 583 C GLY A 40 12.258 -7.468 1.624 1.00 61.13 C ATOM 584 O GLY A 40 11.226 -6.855 1.919 1.00 2.21 O ATOM 0 H GLY A 40 13.128 -5.056 -0.178 1.00 60.21 H new ATOM 0 HA2 GLY A 40 13.197 -7.865 -0.272 1.00 1.33 H new ATOM 0 HA3 GLY A 40 14.122 -6.806 0.774 1.00 1.33 H new ATOM 588 N SER A 41 12.671 -8.532 2.311 1.00 73.44 N ATOM 589 CA SER A 41 11.964 -9.009 3.490 1.00 34.54 C ATOM 590 C SER A 41 11.947 -7.895 4.532 1.00 51.44 C ATOM 591 O SER A 41 13.009 -7.332 4.819 1.00 35.40 O ATOM 592 CB SER A 41 12.641 -10.246 4.089 1.00 0.11 C ATOM 593 OG SER A 41 13.431 -10.982 3.166 1.00 44.21 O ATOM 0 H SER A 41 13.496 -9.080 2.067 1.00 73.44 H new ATOM 0 HA SER A 41 10.951 -9.286 3.198 1.00 34.54 H new ATOM 0 HB2 SER A 41 13.271 -9.934 4.922 1.00 0.11 H new ATOM 0 HB3 SER A 41 11.874 -10.903 4.499 1.00 0.11 H new ATOM 0 HG SER A 41 13.831 -11.753 3.620 1.00 44.21 H new ATOM 598 N HIS A 42 10.769 -7.603 5.085 1.00 31.14 N ATOM 599 CA HIS A 42 10.550 -6.595 6.114 1.00 12.42 C ATOM 600 C HIS A 42 11.069 -5.210 5.715 1.00 32.12 C ATOM 601 O HIS A 42 11.320 -4.367 6.584 1.00 13.41 O ATOM 602 CB HIS A 42 11.061 -7.125 7.466 1.00 72.44 C ATOM 603 CG HIS A 42 9.936 -7.385 8.432 1.00 1.44 C ATOM 604 ND1 HIS A 42 9.447 -6.481 9.345 1.00 32.24 N ATOM 605 CD2 HIS A 42 9.191 -8.530 8.529 1.00 24.33 C ATOM 606 CE1 HIS A 42 8.420 -7.061 9.984 1.00 0.20 C ATOM 607 NE2 HIS A 42 8.239 -8.318 9.537 1.00 0.30 N ATOM 0 H HIS A 42 9.910 -8.083 4.815 1.00 31.14 H new ATOM 0 HA HIS A 42 9.480 -6.423 6.229 1.00 12.42 H new ATOM 0 HB2 HIS A 42 11.621 -8.046 7.306 1.00 72.44 H new ATOM 0 HB3 HIS A 42 11.752 -6.403 7.901 1.00 72.44 H new ATOM 0 HD2 HIS A 42 9.313 -9.427 7.940 1.00 24.33 H new ATOM 0 HE1 HIS A 42 7.823 -6.587 10.749 1.00 0.20 H new ATOM 0 HE2 HIS A 42 7.544 -8.987 9.868 1.00 0.30 H new ATOM 614 N ASP A 43 11.226 -4.951 4.411 1.00 41.04 N ATOM 615 CA ASP A 43 11.686 -3.641 3.983 1.00 33.21 C ATOM 616 C ASP A 43 10.502 -2.689 3.974 1.00 55.10 C ATOM 617 O ASP A 43 9.341 -3.084 4.172 1.00 2.30 O ATOM 618 CB ASP A 43 12.370 -3.661 2.613 1.00 12.41 C ATOM 619 CG ASP A 43 13.561 -2.717 2.531 1.00 61.50 C ATOM 620 OD1 ASP A 43 13.545 -1.686 3.232 1.00 53.14 O ATOM 621 OD2 ASP A 43 14.479 -2.984 1.725 1.00 63.50 O ATOM 0 H ASP A 43 11.045 -5.616 3.659 1.00 41.04 H new ATOM 0 HA ASP A 43 12.444 -3.305 4.690 1.00 33.21 H new ATOM 0 HB2 ASP A 43 12.702 -4.676 2.393 1.00 12.41 H new ATOM 0 HB3 ASP A 43 11.644 -3.389 1.846 1.00 12.41 H new ATOM 625 N SER A 44 10.806 -1.432 3.703 1.00 24.25 N ATOM 626 CA SER A 44 9.804 -0.389 3.573 1.00 41.13 C ATOM 627 C SER A 44 10.245 0.740 2.649 1.00 74.31 C ATOM 628 O SER A 44 11.435 0.976 2.441 1.00 13.04 O ATOM 629 CB SER A 44 9.409 0.131 4.962 1.00 51.01 C ATOM 630 OG SER A 44 10.532 0.531 5.735 1.00 71.33 O ATOM 0 H SER A 44 11.762 -1.104 3.566 1.00 24.25 H new ATOM 0 HA SER A 44 8.926 -0.829 3.101 1.00 41.13 H new ATOM 0 HB2 SER A 44 8.730 0.976 4.850 1.00 51.01 H new ATOM 0 HB3 SER A 44 8.864 -0.647 5.496 1.00 51.01 H new ATOM 0 HG SER A 44 10.229 0.855 6.609 1.00 71.33 H new ATOM 635 N ILE A 45 9.267 1.466 2.113 1.00 75.42 N ATOM 636 CA ILE A 45 9.498 2.667 1.333 1.00 74.34 C ATOM 637 C ILE A 45 8.315 3.595 1.492 1.00 4.22 C ATOM 638 O ILE A 45 7.168 3.154 1.459 1.00 22.43 O ATOM 639 CB ILE A 45 9.771 2.322 -0.143 1.00 11.34 C ATOM 640 CG1 ILE A 45 10.042 3.616 -0.936 1.00 14.04 C ATOM 641 CG2 ILE A 45 8.650 1.498 -0.810 1.00 52.20 C ATOM 642 CD1 ILE A 45 10.701 3.337 -2.281 1.00 23.45 C ATOM 0 H ILE A 45 8.280 1.229 2.213 1.00 75.42 H new ATOM 0 HA ILE A 45 10.388 3.177 1.700 1.00 74.34 H new ATOM 0 HB ILE A 45 10.653 1.681 -0.157 1.00 11.34 H new ATOM 0 HG12 ILE A 45 9.103 4.146 -1.096 1.00 14.04 H new ATOM 0 HG13 ILE A 45 10.683 4.273 -0.348 1.00 14.04 H new ATOM 0 HG21 ILE A 45 8.916 1.295 -1.847 1.00 52.20 H new ATOM 0 HG22 ILE A 45 8.524 0.556 -0.277 1.00 52.20 H new ATOM 0 HG23 ILE A 45 7.717 2.060 -0.778 1.00 52.20 H new ATOM 0 HD11 ILE A 45 10.873 4.278 -2.804 1.00 23.45 H new ATOM 0 HD12 ILE A 45 11.653 2.831 -2.122 1.00 23.45 H new ATOM 0 HD13 ILE A 45 10.049 2.702 -2.881 1.00 23.45 H new ATOM 653 N ASP A 46 8.596 4.881 1.603 1.00 72.51 N ATOM 654 CA ASP A 46 7.619 5.949 1.634 1.00 32.24 C ATOM 655 C ASP A 46 7.794 6.810 0.403 1.00 41.33 C ATOM 656 O ASP A 46 8.887 6.930 -0.156 1.00 73.43 O ATOM 657 CB ASP A 46 7.666 6.766 2.936 1.00 2.43 C ATOM 658 CG ASP A 46 9.015 7.373 3.328 1.00 54.00 C ATOM 659 OD1 ASP A 46 10.081 6.964 2.820 1.00 51.01 O ATOM 660 OD2 ASP A 46 9.002 8.235 4.238 1.00 11.23 O ATOM 0 H ASP A 46 9.554 5.222 1.677 1.00 72.51 H new ATOM 0 HA ASP A 46 6.622 5.508 1.620 1.00 32.24 H new ATOM 0 HB2 ASP A 46 6.941 7.576 2.854 1.00 2.43 H new ATOM 0 HB3 ASP A 46 7.334 6.123 3.751 1.00 2.43 H new ATOM 664 N PHE A 47 6.675 7.351 -0.064 1.00 51.40 N ATOM 665 CA PHE A 47 6.645 8.258 -1.203 1.00 23.53 C ATOM 666 C PHE A 47 5.538 9.299 -1.040 1.00 4.41 C ATOM 667 O PHE A 47 4.447 9.010 -0.540 1.00 12.35 O ATOM 668 CB PHE A 47 6.525 7.477 -2.525 1.00 44.10 C ATOM 669 CG PHE A 47 5.581 6.288 -2.526 1.00 2.11 C ATOM 670 CD1 PHE A 47 6.046 5.032 -2.083 1.00 73.41 C ATOM 671 CD2 PHE A 47 4.258 6.422 -2.991 1.00 55.34 C ATOM 672 CE1 PHE A 47 5.180 3.928 -2.065 1.00 41.34 C ATOM 673 CE2 PHE A 47 3.398 5.308 -2.996 1.00 44.20 C ATOM 674 CZ PHE A 47 3.855 4.073 -2.507 1.00 13.45 C ATOM 0 H PHE A 47 5.756 7.171 0.341 1.00 51.40 H new ATOM 0 HA PHE A 47 7.590 8.800 -1.240 1.00 23.53 H new ATOM 0 HB2 PHE A 47 6.202 8.170 -3.302 1.00 44.10 H new ATOM 0 HB3 PHE A 47 7.518 7.125 -2.804 1.00 44.10 H new ATOM 0 HD1 PHE A 47 7.070 4.920 -1.757 1.00 73.41 H new ATOM 0 HD2 PHE A 47 3.904 7.379 -3.344 1.00 55.34 H new ATOM 0 HE1 PHE A 47 5.531 2.970 -1.712 1.00 41.34 H new ATOM 0 HE2 PHE A 47 2.391 5.402 -3.374 1.00 44.20 H new ATOM 0 HZ PHE A 47 3.182 3.229 -2.471 1.00 13.45 H new ATOM 683 N SER A 48 5.836 10.519 -1.490 1.00 31.53 N ATOM 684 CA SER A 48 4.896 11.624 -1.595 1.00 35.14 C ATOM 685 C SER A 48 3.897 11.272 -2.701 1.00 23.23 C ATOM 686 O SER A 48 4.306 10.951 -3.823 1.00 53.40 O ATOM 687 CB SER A 48 5.698 12.911 -1.884 1.00 55.12 C ATOM 688 OG SER A 48 5.047 14.101 -1.480 1.00 31.31 O ATOM 0 H SER A 48 6.775 10.768 -1.802 1.00 31.53 H new ATOM 0 HA SER A 48 4.333 11.795 -0.677 1.00 35.14 H new ATOM 0 HB2 SER A 48 6.661 12.847 -1.378 1.00 55.12 H new ATOM 0 HB3 SER A 48 5.902 12.966 -2.953 1.00 55.12 H new ATOM 0 HG SER A 48 5.613 14.872 -1.693 1.00 31.31 H new ATOM 693 N SER A 49 2.606 11.287 -2.362 1.00 4.35 N ATOM 694 CA SER A 49 1.478 11.056 -3.252 1.00 21.12 C ATOM 695 C SER A 49 1.078 12.396 -3.882 1.00 31.34 C ATOM 696 O SER A 49 1.423 13.455 -3.349 1.00 74.41 O ATOM 697 CB SER A 49 0.289 10.449 -2.472 1.00 60.20 C ATOM 698 OG SER A 49 0.579 10.066 -1.141 1.00 20.23 O ATOM 0 H SER A 49 2.309 11.472 -1.404 1.00 4.35 H new ATOM 0 HA SER A 49 1.760 10.349 -4.032 1.00 21.12 H new ATOM 0 HB2 SER A 49 -0.524 11.175 -2.456 1.00 60.20 H new ATOM 0 HB3 SER A 49 -0.074 9.576 -3.014 1.00 60.20 H new ATOM 0 HG SER A 49 0.764 10.864 -0.604 1.00 20.23 H new ATOM 703 N ASP A 50 0.268 12.378 -4.942 1.00 24.21 N ATOM 704 CA ASP A 50 0.012 13.548 -5.790 1.00 53.54 C ATOM 705 C ASP A 50 -1.496 13.774 -5.932 1.00 22.04 C ATOM 706 O ASP A 50 -2.051 13.686 -7.029 1.00 20.44 O ATOM 707 CB ASP A 50 0.638 13.329 -7.172 1.00 21.23 C ATOM 708 CG ASP A 50 2.105 12.926 -7.113 1.00 34.33 C ATOM 709 OD1 ASP A 50 2.941 13.768 -6.713 1.00 74.23 O ATOM 710 OD2 ASP A 50 2.407 11.747 -7.406 1.00 62.42 O ATOM 0 H ASP A 50 -0.235 11.542 -5.241 1.00 24.21 H new ATOM 0 HA ASP A 50 0.458 14.428 -5.327 1.00 53.54 H new ATOM 0 HB2 ASP A 50 0.077 12.557 -7.699 1.00 21.23 H new ATOM 0 HB3 ASP A 50 0.543 14.245 -7.755 1.00 21.23 H new ATOM 714 N ALA A 51 -2.193 13.957 -4.812 1.00 32.32 N ATOM 715 CA ALA A 51 -3.652 14.014 -4.787 1.00 72.23 C ATOM 716 C ALA A 51 -4.226 14.908 -3.680 1.00 11.22 C ATOM 717 O ALA A 51 -5.424 15.193 -3.687 1.00 61.34 O ATOM 718 CB ALA A 51 -4.166 12.583 -4.656 1.00 35.05 C ATOM 0 H ALA A 51 -1.760 14.070 -3.895 1.00 32.32 H new ATOM 0 HA ALA A 51 -3.990 14.476 -5.714 1.00 72.23 H new ATOM 0 HB1 ALA A 51 -5.256 12.588 -4.634 1.00 35.05 H new ATOM 0 HB2 ALA A 51 -3.823 11.994 -5.507 1.00 35.05 H new ATOM 0 HB3 ALA A 51 -3.787 12.143 -3.734 1.00 35.05 H new ATOM 724 N GLY A 52 -3.405 15.397 -2.753 1.00 73.00 N ATOM 725 CA GLY A 52 -3.818 16.261 -1.659 1.00 52.10 C ATOM 726 C GLY A 52 -4.178 15.430 -0.437 1.00 71.43 C ATOM 727 O GLY A 52 -3.495 15.514 0.586 1.00 51.33 O ATOM 0 H GLY A 52 -2.405 15.195 -2.746 1.00 73.00 H new ATOM 0 HA2 GLY A 52 -3.015 16.955 -1.411 1.00 52.10 H new ATOM 0 HA3 GLY A 52 -4.675 16.861 -1.964 1.00 52.10 H new ATOM 731 N SER A 53 -5.222 14.608 -0.547 1.00 72.33 N ATOM 732 CA SER A 53 -5.640 13.658 0.483 1.00 1.42 C ATOM 733 C SER A 53 -5.487 12.227 -0.051 1.00 0.32 C ATOM 734 O SER A 53 -4.831 12.036 -1.077 1.00 33.32 O ATOM 735 CB SER A 53 -7.037 14.021 0.998 1.00 20.04 C ATOM 736 OG SER A 53 -7.998 14.153 -0.030 1.00 63.01 O ATOM 0 H SER A 53 -5.815 14.584 -1.376 1.00 72.33 H new ATOM 0 HA SER A 53 -4.996 13.714 1.360 1.00 1.42 H new ATOM 0 HB2 SER A 53 -7.368 13.254 1.699 1.00 20.04 H new ATOM 0 HB3 SER A 53 -6.979 14.957 1.554 1.00 20.04 H new ATOM 0 HG SER A 53 -8.866 14.383 0.362 1.00 63.01 H new ATOM 741 N VAL A 54 -5.983 11.229 0.685 1.00 1.23 N ATOM 742 CA VAL A 54 -6.331 9.883 0.233 1.00 2.14 C ATOM 743 C VAL A 54 -7.536 9.491 1.093 1.00 60.23 C ATOM 744 O VAL A 54 -7.671 9.961 2.230 1.00 64.45 O ATOM 745 CB VAL A 54 -5.163 8.872 0.400 1.00 42.34 C ATOM 746 CG1 VAL A 54 -5.566 7.453 -0.050 1.00 21.52 C ATOM 747 CG2 VAL A 54 -3.915 9.260 -0.406 1.00 20.23 C ATOM 0 H VAL A 54 -6.164 11.351 1.681 1.00 1.23 H new ATOM 0 HA VAL A 54 -6.552 9.868 -0.834 1.00 2.14 H new ATOM 0 HB VAL A 54 -4.932 8.891 1.465 1.00 42.34 H new ATOM 0 HG11 VAL A 54 -4.722 6.776 0.082 1.00 21.52 H new ATOM 0 HG12 VAL A 54 -6.407 7.106 0.550 1.00 21.52 H new ATOM 0 HG13 VAL A 54 -5.854 7.473 -1.101 1.00 21.52 H new ATOM 0 HG21 VAL A 54 -3.134 8.516 -0.248 1.00 20.23 H new ATOM 0 HG22 VAL A 54 -4.166 9.304 -1.466 1.00 20.23 H new ATOM 0 HG23 VAL A 54 -3.558 10.236 -0.077 1.00 20.23 H new ATOM 757 N TYR A 55 -8.386 8.599 0.583 1.00 75.43 N ATOM 758 CA TYR A 55 -9.397 7.908 1.381 1.00 23.22 C ATOM 759 C TYR A 55 -9.657 6.461 0.931 1.00 42.14 C ATOM 760 O TYR A 55 -10.614 5.830 1.377 1.00 4.23 O ATOM 761 CB TYR A 55 -10.677 8.751 1.464 1.00 35.10 C ATOM 762 CG TYR A 55 -11.160 9.403 0.174 1.00 34.02 C ATOM 763 CD1 TYR A 55 -11.056 8.750 -1.072 1.00 20.14 C ATOM 764 CD2 TYR A 55 -11.720 10.688 0.231 1.00 14.32 C ATOM 765 CE1 TYR A 55 -11.456 9.397 -2.256 1.00 44.42 C ATOM 766 CE2 TYR A 55 -12.161 11.328 -0.940 1.00 62.02 C ATOM 767 CZ TYR A 55 -12.024 10.689 -2.193 1.00 43.44 C ATOM 768 OH TYR A 55 -12.478 11.276 -3.332 1.00 15.52 O ATOM 0 H TYR A 55 -8.392 8.335 -0.402 1.00 75.43 H new ATOM 0 HA TYR A 55 -8.997 7.804 2.390 1.00 23.22 H new ATOM 0 HB2 TYR A 55 -11.477 8.115 1.843 1.00 35.10 H new ATOM 0 HB3 TYR A 55 -10.518 9.537 2.202 1.00 35.10 H new ATOM 0 HD1 TYR A 55 -10.666 7.744 -1.118 1.00 20.14 H new ATOM 0 HD2 TYR A 55 -11.813 11.190 1.183 1.00 14.32 H new ATOM 0 HE1 TYR A 55 -11.329 8.907 -3.210 1.00 44.42 H new ATOM 0 HE2 TYR A 55 -12.606 12.311 -0.882 1.00 62.02 H new ATOM 0 HH TYR A 55 -12.841 12.162 -3.121 1.00 15.52 H new ATOM 777 N LYS A 56 -8.847 5.924 0.012 1.00 71.22 N ATOM 778 CA LYS A 56 -9.011 4.597 -0.576 1.00 3.33 C ATOM 779 C LYS A 56 -7.647 4.097 -1.057 1.00 3.44 C ATOM 780 O LYS A 56 -6.736 4.918 -1.204 1.00 74.34 O ATOM 781 CB LYS A 56 -10.030 4.674 -1.729 1.00 75.13 C ATOM 782 CG LYS A 56 -9.633 5.576 -2.916 1.00 20.23 C ATOM 783 CD LYS A 56 -10.855 5.976 -3.759 1.00 61.15 C ATOM 784 CE LYS A 56 -11.460 4.807 -4.543 1.00 4.43 C ATOM 785 NZ LYS A 56 -12.546 5.277 -5.424 1.00 3.51 N ATOM 0 H LYS A 56 -8.034 6.420 -0.352 1.00 71.22 H new ATOM 0 HA LYS A 56 -9.393 3.891 0.161 1.00 3.33 H new ATOM 0 HB2 LYS A 56 -10.202 3.665 -2.105 1.00 75.13 H new ATOM 0 HB3 LYS A 56 -10.979 5.030 -1.327 1.00 75.13 H new ATOM 0 HG2 LYS A 56 -9.139 6.473 -2.542 1.00 20.23 H new ATOM 0 HG3 LYS A 56 -8.912 5.054 -3.545 1.00 20.23 H new ATOM 0 HD2 LYS A 56 -11.617 6.398 -3.104 1.00 61.15 H new ATOM 0 HD3 LYS A 56 -10.565 6.761 -4.457 1.00 61.15 H new ATOM 0 HE2 LYS A 56 -10.686 4.322 -5.138 1.00 4.43 H new ATOM 0 HE3 LYS A 56 -11.845 4.058 -3.850 1.00 4.43 H new ATOM 0 HZ1 LYS A 56 -12.414 4.883 -6.378 1.00 3.51 H new ATOM 0 HZ2 LYS A 56 -13.462 4.964 -5.044 1.00 3.51 H new ATOM 0 HZ3 LYS A 56 -12.528 6.316 -5.473 1.00 3.51 H new ATOM 795 N MET A 57 -7.500 2.797 -1.300 1.00 60.05 N ATOM 796 CA MET A 57 -6.297 2.197 -1.857 1.00 22.23 C ATOM 797 C MET A 57 -6.730 0.996 -2.687 1.00 3.42 C ATOM 798 O MET A 57 -7.666 0.300 -2.299 1.00 74.04 O ATOM 799 CB MET A 57 -5.343 1.796 -0.713 1.00 73.33 C ATOM 800 CG MET A 57 -3.977 1.257 -1.156 1.00 73.22 C ATOM 801 SD MET A 57 -2.567 1.882 -0.195 1.00 2.01 S ATOM 802 CE MET A 57 -2.568 3.636 -0.660 1.00 2.30 C ATOM 0 H MET A 57 -8.235 2.116 -1.109 1.00 60.05 H new ATOM 0 HA MET A 57 -5.755 2.896 -2.494 1.00 22.23 H new ATOM 0 HB2 MET A 57 -5.182 2.665 -0.075 1.00 73.33 H new ATOM 0 HB3 MET A 57 -5.833 1.038 -0.102 1.00 73.33 H new ATOM 0 HG2 MET A 57 -3.992 0.169 -1.089 1.00 73.22 H new ATOM 0 HG3 MET A 57 -3.825 1.510 -2.205 1.00 73.22 H new ATOM 0 HE1 MET A 57 -1.568 3.928 -0.982 1.00 2.30 H new ATOM 0 HE2 MET A 57 -3.273 3.796 -1.476 1.00 2.30 H new ATOM 0 HE3 MET A 57 -2.863 4.240 0.198 1.00 2.30 H new ATOM 810 N ASP A 58 -6.051 0.749 -3.808 1.00 44.21 N ATOM 811 CA ASP A 58 -6.322 -0.385 -4.695 1.00 55.51 C ATOM 812 C ASP A 58 -4.995 -0.874 -5.256 1.00 53.15 C ATOM 813 O ASP A 58 -4.652 -0.679 -6.425 1.00 3.40 O ATOM 814 CB ASP A 58 -7.304 -0.020 -5.814 1.00 15.31 C ATOM 815 CG ASP A 58 -8.743 0.190 -5.342 1.00 24.32 C ATOM 816 OD1 ASP A 58 -9.402 -0.785 -4.938 1.00 2.23 O ATOM 817 OD2 ASP A 58 -9.215 1.346 -5.480 1.00 34.23 O ATOM 0 H ASP A 58 -5.285 1.340 -4.131 1.00 44.21 H new ATOM 0 HA ASP A 58 -6.802 -1.181 -4.126 1.00 55.51 H new ATOM 0 HB2 ASP A 58 -6.958 0.890 -6.303 1.00 15.31 H new ATOM 0 HB3 ASP A 58 -7.292 -0.810 -6.565 1.00 15.31 H new ATOM 821 N VAL A 59 -4.199 -1.484 -4.389 1.00 43.44 N ATOM 822 CA VAL A 59 -2.914 -2.043 -4.780 1.00 74.25 C ATOM 823 C VAL A 59 -3.145 -3.321 -5.549 1.00 14.24 C ATOM 824 O VAL A 59 -4.177 -3.969 -5.382 1.00 14.01 O ATOM 825 CB VAL A 59 -2.028 -2.269 -3.549 1.00 21.44 C ATOM 826 CG1 VAL A 59 -2.486 -3.231 -2.494 1.00 23.52 C ATOM 827 CG2 VAL A 59 -0.559 -2.521 -3.849 1.00 43.35 C ATOM 0 H VAL A 59 -4.424 -1.605 -3.401 1.00 43.44 H new ATOM 0 HA VAL A 59 -2.387 -1.342 -5.426 1.00 74.25 H new ATOM 0 HB VAL A 59 -2.152 -1.281 -3.105 1.00 21.44 H new ATOM 0 HG11 VAL A 59 -1.746 -3.274 -1.695 1.00 23.52 H new ATOM 0 HG12 VAL A 59 -3.441 -2.897 -2.087 1.00 23.52 H new ATOM 0 HG13 VAL A 59 -2.605 -4.222 -2.932 1.00 23.52 H new ATOM 0 HG21 VAL A 59 -0.017 -2.669 -2.915 1.00 43.35 H new ATOM 0 HG22 VAL A 59 -0.462 -3.412 -4.470 1.00 43.35 H new ATOM 0 HG23 VAL A 59 -0.143 -1.663 -4.378 1.00 43.35 H new ATOM 837 N THR A 60 -2.151 -3.718 -6.320 1.00 75.35 N ATOM 838 CA THR A 60 -2.056 -5.024 -6.924 1.00 42.22 C ATOM 839 C THR A 60 -0.562 -5.265 -7.110 1.00 60.15 C ATOM 840 O THR A 60 0.166 -4.381 -7.568 1.00 34.10 O ATOM 841 CB THR A 60 -2.941 -5.096 -8.183 1.00 13.50 C ATOM 842 OG1 THR A 60 -2.605 -6.190 -9.016 1.00 42.14 O ATOM 843 CG2 THR A 60 -2.939 -3.821 -9.002 1.00 71.35 C ATOM 0 H THR A 60 -1.361 -3.115 -6.548 1.00 75.35 H new ATOM 0 HA THR A 60 -2.451 -5.840 -6.318 1.00 42.22 H new ATOM 0 HB THR A 60 -3.950 -5.239 -7.796 1.00 13.50 H new ATOM 0 HG1 THR A 60 -3.193 -6.197 -9.800 1.00 42.14 H new ATOM 0 HG21 THR A 60 -3.584 -3.946 -9.872 1.00 71.35 H new ATOM 0 HG22 THR A 60 -3.309 -2.996 -8.392 1.00 71.35 H new ATOM 0 HG23 THR A 60 -1.923 -3.602 -9.332 1.00 71.35 H new ATOM 851 N GLY A 61 -0.059 -6.402 -6.648 1.00 14.42 N ATOM 852 CA GLY A 61 1.352 -6.720 -6.714 1.00 20.54 C ATOM 853 C GLY A 61 1.533 -8.216 -6.570 1.00 1.40 C ATOM 854 O GLY A 61 0.587 -8.933 -6.263 1.00 74.52 O ATOM 0 H GLY A 61 -0.626 -7.131 -6.215 1.00 14.42 H new ATOM 0 HA2 GLY A 61 1.769 -6.381 -7.662 1.00 20.54 H new ATOM 0 HA3 GLY A 61 1.892 -6.199 -5.923 1.00 20.54 H new ATOM 858 N THR A 62 2.754 -8.691 -6.793 1.00 72.21 N ATOM 859 CA THR A 62 3.035 -10.108 -6.959 1.00 74.15 C ATOM 860 C THR A 62 4.321 -10.452 -6.213 1.00 62.43 C ATOM 861 O THR A 62 5.302 -9.695 -6.273 1.00 73.45 O ATOM 862 CB THR A 62 3.125 -10.484 -8.451 1.00 51.03 C ATOM 863 OG1 THR A 62 2.246 -9.714 -9.257 1.00 3.44 O ATOM 864 CG2 THR A 62 2.862 -11.970 -8.674 1.00 60.31 C ATOM 0 H THR A 62 3.580 -8.097 -6.864 1.00 72.21 H new ATOM 0 HA THR A 62 2.217 -10.692 -6.537 1.00 74.15 H new ATOM 0 HB THR A 62 4.147 -10.258 -8.756 1.00 51.03 H new ATOM 0 HG1 THR A 62 2.339 -9.986 -10.194 1.00 3.44 H new ATOM 0 HG21 THR A 62 2.934 -12.197 -9.738 1.00 60.31 H new ATOM 0 HG22 THR A 62 3.600 -12.556 -8.127 1.00 60.31 H new ATOM 0 HG23 THR A 62 1.863 -12.220 -8.317 1.00 60.31 H new ATOM 872 N THR A 63 4.297 -11.557 -5.478 1.00 73.23 N ATOM 873 CA THR A 63 5.352 -12.018 -4.599 1.00 0.04 C ATOM 874 C THR A 63 6.421 -12.758 -5.394 1.00 32.34 C ATOM 875 O THR A 63 6.214 -13.109 -6.556 1.00 24.12 O ATOM 876 CB THR A 63 4.728 -12.887 -3.487 1.00 61.14 C ATOM 877 OG1 THR A 63 4.326 -14.151 -3.976 1.00 32.40 O ATOM 878 CG2 THR A 63 3.504 -12.215 -2.861 1.00 34.41 C ATOM 0 H THR A 63 3.494 -12.187 -5.483 1.00 73.23 H new ATOM 0 HA THR A 63 5.851 -11.172 -4.127 1.00 0.04 H new ATOM 0 HB THR A 63 5.506 -13.011 -2.734 1.00 61.14 H new ATOM 0 HG1 THR A 63 3.937 -14.676 -3.245 1.00 32.40 H new ATOM 0 HG21 THR A 63 3.094 -12.859 -2.083 1.00 34.41 H new ATOM 0 HG22 THR A 63 3.797 -11.260 -2.425 1.00 34.41 H new ATOM 0 HG23 THR A 63 2.749 -12.047 -3.629 1.00 34.41 H new ATOM 886 N GLN A 64 7.577 -13.014 -4.778 1.00 52.11 N ATOM 887 CA GLN A 64 8.615 -13.855 -5.359 1.00 63.42 C ATOM 888 C GLN A 64 8.107 -15.301 -5.534 1.00 2.13 C ATOM 889 O GLN A 64 8.456 -15.948 -6.519 1.00 61.11 O ATOM 890 CB GLN A 64 9.881 -13.734 -4.500 1.00 51.03 C ATOM 891 CG GLN A 64 11.091 -14.469 -5.094 1.00 42.03 C ATOM 892 CD GLN A 64 11.190 -15.920 -4.638 1.00 53.02 C ATOM 893 OE1 GLN A 64 11.148 -16.837 -5.446 1.00 74.55 O ATOM 894 NE2 GLN A 64 11.313 -16.150 -3.346 1.00 21.40 N ATOM 0 H GLN A 64 7.816 -12.641 -3.859 1.00 52.11 H new ATOM 0 HA GLN A 64 8.873 -13.521 -6.364 1.00 63.42 H new ATOM 0 HB2 GLN A 64 10.129 -12.680 -4.378 1.00 51.03 H new ATOM 0 HB3 GLN A 64 9.676 -14.131 -3.506 1.00 51.03 H new ATOM 0 HG2 GLN A 64 11.029 -14.439 -6.182 1.00 42.03 H new ATOM 0 HG3 GLN A 64 12.003 -13.943 -4.812 1.00 42.03 H new ATOM 0 HE21 GLN A 64 11.346 -15.370 -2.690 1.00 21.40 H new ATOM 0 HE22 GLN A 64 11.375 -17.108 -3.002 1.00 21.40 H new ATOM 901 N SER A 65 7.222 -15.765 -4.640 1.00 13.00 N ATOM 902 CA SER A 65 6.512 -17.043 -4.773 1.00 72.22 C ATOM 903 C SER A 65 5.533 -17.027 -5.963 1.00 71.23 C ATOM 904 O SER A 65 4.957 -18.058 -6.299 1.00 74.53 O ATOM 905 CB SER A 65 5.784 -17.402 -3.457 1.00 40.01 C ATOM 906 OG SER A 65 5.701 -18.808 -3.286 1.00 35.31 O ATOM 0 H SER A 65 6.976 -15.254 -3.792 1.00 13.00 H new ATOM 0 HA SER A 65 7.254 -17.816 -4.975 1.00 72.22 H new ATOM 0 HB2 SER A 65 6.314 -16.961 -2.613 1.00 40.01 H new ATOM 0 HB3 SER A 65 4.782 -16.974 -3.464 1.00 40.01 H new ATOM 0 HG SER A 65 5.238 -19.009 -2.446 1.00 35.31 H new ATOM 911 N GLY A 66 5.328 -15.891 -6.634 1.00 74.41 N ATOM 912 CA GLY A 66 4.489 -15.833 -7.818 1.00 44.24 C ATOM 913 C GLY A 66 3.006 -15.790 -7.492 1.00 13.32 C ATOM 914 O GLY A 66 2.194 -16.221 -8.312 1.00 14.42 O ATOM 0 H GLY A 66 5.739 -14.996 -6.369 1.00 74.41 H new ATOM 0 HA2 GLY A 66 4.753 -14.951 -8.401 1.00 44.24 H new ATOM 0 HA3 GLY A 66 4.693 -16.702 -8.444 1.00 44.24 H new ATOM 918 N GLU A 67 2.634 -15.278 -6.322 1.00 31.54 N ATOM 919 CA GLU A 67 1.240 -15.055 -5.940 1.00 73.32 C ATOM 920 C GLU A 67 0.934 -13.576 -6.052 1.00 14.14 C ATOM 921 O GLU A 67 1.819 -12.756 -5.814 1.00 40.05 O ATOM 922 CB GLU A 67 1.015 -15.523 -4.505 1.00 54.35 C ATOM 923 CG GLU A 67 1.006 -17.041 -4.450 1.00 22.23 C ATOM 924 CD GLU A 67 0.569 -17.532 -3.077 1.00 11.24 C ATOM 925 OE1 GLU A 67 -0.608 -17.294 -2.717 1.00 64.11 O ATOM 926 OE2 GLU A 67 1.431 -18.174 -2.440 1.00 64.43 O ATOM 0 H GLU A 67 3.301 -15.002 -5.601 1.00 31.54 H new ATOM 0 HA GLU A 67 0.581 -15.619 -6.600 1.00 73.32 H new ATOM 0 HB2 GLU A 67 1.801 -15.132 -3.859 1.00 54.35 H new ATOM 0 HB3 GLU A 67 0.069 -15.131 -4.130 1.00 54.35 H new ATOM 0 HG2 GLU A 67 0.332 -17.433 -5.212 1.00 22.23 H new ATOM 0 HG3 GLU A 67 2.001 -17.423 -4.678 1.00 22.23 H new ATOM 931 N LYS A 68 -0.291 -13.221 -6.429 1.00 53.45 N ATOM 932 CA LYS A 68 -0.718 -11.869 -6.702 1.00 4.24 C ATOM 933 C LYS A 68 -1.817 -11.504 -5.737 1.00 73.42 C ATOM 934 O LYS A 68 -2.799 -12.232 -5.581 1.00 14.12 O ATOM 935 CB LYS A 68 -1.192 -11.771 -8.139 1.00 11.23 C ATOM 936 CG LYS A 68 -1.342 -10.324 -8.576 1.00 42.33 C ATOM 937 CD LYS A 68 -1.862 -10.257 -10.014 1.00 21.31 C ATOM 938 CE LYS A 68 -1.466 -8.926 -10.652 1.00 1.13 C ATOM 939 NZ LYS A 68 -0.048 -8.939 -11.064 1.00 31.22 N ATOM 0 H LYS A 68 -1.039 -13.903 -6.555 1.00 53.45 H new ATOM 0 HA LYS A 68 0.109 -11.171 -6.571 1.00 4.24 H new ATOM 0 HB2 LYS A 68 -0.483 -12.278 -8.793 1.00 11.23 H new ATOM 0 HB3 LYS A 68 -2.147 -12.285 -8.244 1.00 11.23 H new ATOM 0 HG2 LYS A 68 -2.029 -9.804 -7.908 1.00 42.33 H new ATOM 0 HG3 LYS A 68 -0.382 -9.814 -8.505 1.00 42.33 H new ATOM 0 HD2 LYS A 68 -1.454 -11.084 -10.596 1.00 21.31 H new ATOM 0 HD3 LYS A 68 -2.947 -10.365 -10.023 1.00 21.31 H new ATOM 0 HE2 LYS A 68 -2.098 -8.731 -11.518 1.00 1.13 H new ATOM 0 HE3 LYS A 68 -1.636 -8.114 -9.944 1.00 1.13 H new ATOM 0 HZ1 LYS A 68 0.224 -7.993 -11.400 1.00 31.22 H new ATOM 0 HZ2 LYS A 68 0.547 -9.203 -10.253 1.00 31.22 H new ATOM 0 HZ3 LYS A 68 0.085 -9.630 -11.830 1.00 31.22 H new ATOM 949 N PHE A 69 -1.609 -10.390 -5.061 1.00 52.14 N ATOM 950 CA PHE A 69 -2.502 -9.867 -4.043 1.00 72.33 C ATOM 951 C PHE A 69 -2.964 -8.503 -4.521 1.00 74.24 C ATOM 952 O PHE A 69 -2.217 -7.774 -5.188 1.00 54.43 O ATOM 953 CB PHE A 69 -1.788 -9.762 -2.680 1.00 3.13 C ATOM 954 CG PHE A 69 -0.551 -8.866 -2.673 1.00 41.14 C ATOM 955 CD1 PHE A 69 0.678 -9.392 -3.120 1.00 1.40 C ATOM 956 CD2 PHE A 69 -0.648 -7.505 -2.305 1.00 42.23 C ATOM 957 CE1 PHE A 69 1.817 -8.565 -3.219 1.00 14.13 C ATOM 958 CE2 PHE A 69 0.484 -6.661 -2.469 1.00 24.22 C ATOM 959 CZ PHE A 69 1.728 -7.194 -2.910 1.00 32.20 C ATOM 0 H PHE A 69 -0.787 -9.805 -5.210 1.00 52.14 H new ATOM 0 HA PHE A 69 -3.352 -10.534 -3.897 1.00 72.33 H new ATOM 0 HB2 PHE A 69 -2.497 -9.385 -1.942 1.00 3.13 H new ATOM 0 HB3 PHE A 69 -1.497 -10.762 -2.360 1.00 3.13 H new ATOM 0 HD1 PHE A 69 0.748 -10.436 -3.389 1.00 1.40 H new ATOM 0 HD2 PHE A 69 -1.570 -7.111 -1.904 1.00 42.23 H new ATOM 0 HE1 PHE A 69 2.761 -8.985 -3.533 1.00 14.13 H new ATOM 0 HE2 PHE A 69 0.399 -5.605 -2.257 1.00 24.22 H new ATOM 0 HZ PHE A 69 2.593 -6.555 -3.006 1.00 32.20 H new ATOM 968 N THR A 70 -4.154 -8.111 -4.093 1.00 60.25 N ATOM 969 CA THR A 70 -4.659 -6.763 -4.235 1.00 35.52 C ATOM 970 C THR A 70 -5.226 -6.331 -2.925 1.00 11.00 C ATOM 971 O THR A 70 -5.728 -7.117 -2.123 1.00 14.30 O ATOM 972 CB THR A 70 -5.786 -6.705 -5.275 1.00 23.52 C ATOM 973 OG1 THR A 70 -6.901 -7.493 -4.937 1.00 31.23 O ATOM 974 CG2 THR A 70 -5.363 -7.136 -6.658 1.00 74.42 C ATOM 0 H THR A 70 -4.808 -8.740 -3.627 1.00 60.25 H new ATOM 0 HA THR A 70 -3.841 -6.117 -4.554 1.00 35.52 H new ATOM 0 HB THR A 70 -6.052 -5.648 -5.277 1.00 23.52 H new ATOM 0 HG1 THR A 70 -7.504 -7.554 -5.707 1.00 31.23 H new ATOM 0 HG21 THR A 70 -6.213 -7.068 -7.336 1.00 74.42 H new ATOM 0 HG22 THR A 70 -4.563 -6.486 -7.013 1.00 74.42 H new ATOM 0 HG23 THR A 70 -5.007 -8.166 -6.625 1.00 74.42 H new ATOM 982 N GLY A 71 -5.083 -5.035 -2.743 1.00 64.54 N ATOM 983 CA GLY A 71 -5.316 -4.385 -1.492 1.00 62.14 C ATOM 984 C GLY A 71 -6.342 -3.349 -1.756 1.00 73.52 C ATOM 985 O GLY A 71 -6.007 -2.218 -2.102 1.00 51.22 O ATOM 0 H GLY A 71 -4.794 -4.398 -3.486 1.00 64.54 H new ATOM 0 HA2 GLY A 71 -5.663 -5.095 -0.742 1.00 62.14 H new ATOM 0 HA3 GLY A 71 -4.399 -3.938 -1.108 1.00 62.14 H new ATOM 989 N HIS A 72 -7.555 -3.858 -1.708 1.00 61.14 N ATOM 990 CA HIS A 72 -8.774 -3.087 -1.944 1.00 2.50 C ATOM 991 C HIS A 72 -9.193 -2.557 -0.583 1.00 51.25 C ATOM 992 O HIS A 72 -9.525 -3.347 0.312 1.00 73.22 O ATOM 993 CB HIS A 72 -9.866 -3.957 -2.579 1.00 35.23 C ATOM 994 CG HIS A 72 -9.548 -4.403 -3.979 1.00 13.11 C ATOM 995 ND1 HIS A 72 -9.446 -3.570 -5.069 1.00 12.52 N ATOM 996 CD2 HIS A 72 -9.355 -5.687 -4.411 1.00 11.12 C ATOM 997 CE1 HIS A 72 -9.233 -4.340 -6.144 1.00 20.03 C ATOM 998 NE2 HIS A 72 -9.140 -5.625 -5.793 1.00 75.41 N ATOM 0 H HIS A 72 -7.733 -4.841 -1.500 1.00 61.14 H new ATOM 0 HA HIS A 72 -8.606 -2.271 -2.647 1.00 2.50 H new ATOM 0 HB2 HIS A 72 -10.026 -4.836 -1.955 1.00 35.23 H new ATOM 0 HB3 HIS A 72 -10.802 -3.399 -2.589 1.00 35.23 H new ATOM 0 HD1 HIS A 72 -9.519 -2.553 -5.060 1.00 12.52 H new ATOM 0 HD2 HIS A 72 -9.366 -6.579 -3.802 1.00 11.12 H new ATOM 0 HE1 HIS A 72 -9.148 -3.972 -7.156 1.00 20.03 H new ATOM 1005 N PHE A 73 -9.127 -1.241 -0.399 1.00 72.31 N ATOM 1006 CA PHE A 73 -9.395 -0.589 0.872 1.00 22.44 C ATOM 1007 C PHE A 73 -10.124 0.729 0.626 1.00 2.32 C ATOM 1008 O PHE A 73 -9.783 1.462 -0.308 1.00 1.13 O ATOM 1009 CB PHE A 73 -8.058 -0.361 1.589 1.00 43.13 C ATOM 1010 CG PHE A 73 -7.274 -1.627 1.908 1.00 32.23 C ATOM 1011 CD1 PHE A 73 -7.742 -2.474 2.921 1.00 53.41 C ATOM 1012 CD2 PHE A 73 -6.125 -2.003 1.185 1.00 31.12 C ATOM 1013 CE1 PHE A 73 -7.069 -3.665 3.234 1.00 35.21 C ATOM 1014 CE2 PHE A 73 -5.474 -3.219 1.479 1.00 64.11 C ATOM 1015 CZ PHE A 73 -5.941 -4.043 2.502 1.00 11.34 C ATOM 0 H PHE A 73 -8.881 -0.590 -1.144 1.00 72.31 H new ATOM 0 HA PHE A 73 -10.033 -1.211 1.499 1.00 22.44 H new ATOM 0 HB2 PHE A 73 -7.437 0.287 0.970 1.00 43.13 H new ATOM 0 HB3 PHE A 73 -8.249 0.174 2.519 1.00 43.13 H new ATOM 0 HD1 PHE A 73 -8.633 -2.207 3.469 1.00 53.41 H new ATOM 0 HD2 PHE A 73 -5.743 -1.360 0.406 1.00 31.12 H new ATOM 0 HE1 PHE A 73 -7.423 -4.289 4.041 1.00 35.21 H new ATOM 0 HE2 PHE A 73 -4.607 -3.514 0.907 1.00 64.11 H new ATOM 0 HZ PHE A 73 -5.433 -4.969 2.727 1.00 11.34 H new ATOM 1024 N LYS A 74 -11.087 1.057 1.493 1.00 53.55 N ATOM 1025 CA LYS A 74 -11.771 2.350 1.495 1.00 31.24 C ATOM 1026 C LYS A 74 -11.933 2.806 2.941 1.00 21.51 C ATOM 1027 O LYS A 74 -11.422 2.145 3.850 1.00 61.14 O ATOM 1028 CB LYS A 74 -13.108 2.250 0.724 1.00 53.21 C ATOM 1029 CG LYS A 74 -12.939 2.818 -0.690 1.00 20.41 C ATOM 1030 CD LYS A 74 -14.256 2.980 -1.446 1.00 63.24 C ATOM 1031 CE LYS A 74 -14.839 1.607 -1.773 1.00 35.33 C ATOM 1032 NZ LYS A 74 -16.032 1.693 -2.633 1.00 63.11 N ATOM 0 H LYS A 74 -11.416 0.423 2.221 1.00 53.55 H new ATOM 0 HA LYS A 74 -11.185 3.106 0.973 1.00 31.24 H new ATOM 0 HB2 LYS A 74 -13.431 1.210 0.671 1.00 53.21 H new ATOM 0 HB3 LYS A 74 -13.886 2.799 1.255 1.00 53.21 H new ATOM 0 HG2 LYS A 74 -12.445 3.787 -0.626 1.00 20.41 H new ATOM 0 HG3 LYS A 74 -12.281 2.162 -1.260 1.00 20.41 H new ATOM 0 HD2 LYS A 74 -14.963 3.551 -0.844 1.00 63.24 H new ATOM 0 HD3 LYS A 74 -14.091 3.543 -2.365 1.00 63.24 H new ATOM 0 HE2 LYS A 74 -14.080 1.002 -2.269 1.00 35.33 H new ATOM 0 HE3 LYS A 74 -15.099 1.096 -0.846 1.00 35.33 H new ATOM 0 HZ1 LYS A 74 -16.390 0.736 -2.826 1.00 63.11 H new ATOM 0 HZ2 LYS A 74 -16.768 2.247 -2.151 1.00 63.11 H new ATOM 0 HZ3 LYS A 74 -15.781 2.156 -3.530 1.00 63.11 H new ATOM 1042 N GLY A 75 -12.567 3.962 3.124 1.00 63.32 N ATOM 1043 CA GLY A 75 -12.774 4.570 4.421 1.00 53.34 C ATOM 1044 C GLY A 75 -11.458 4.847 5.117 1.00 14.10 C ATOM 1045 O GLY A 75 -11.273 4.451 6.265 1.00 74.51 O ATOM 0 H GLY A 75 -12.956 4.507 2.355 1.00 63.32 H new ATOM 0 HA2 GLY A 75 -13.329 5.501 4.304 1.00 53.34 H new ATOM 0 HA3 GLY A 75 -13.383 3.912 5.040 1.00 53.34 H new ATOM 1049 N LEU A 76 -10.537 5.512 4.415 1.00 60.43 N ATOM 1050 CA LEU A 76 -9.228 5.825 4.966 1.00 61.43 C ATOM 1051 C LEU A 76 -9.218 7.300 5.350 1.00 73.25 C ATOM 1052 O LEU A 76 -9.690 8.145 4.588 1.00 41.43 O ATOM 1053 CB LEU A 76 -8.120 5.448 3.968 1.00 74.21 C ATOM 1054 CG LEU A 76 -8.194 3.995 3.455 1.00 71.31 C ATOM 1055 CD1 LEU A 76 -7.026 3.693 2.512 1.00 72.22 C ATOM 1056 CD2 LEU A 76 -8.188 2.966 4.582 1.00 4.01 C ATOM 0 H LEU A 76 -10.680 5.843 3.461 1.00 60.43 H new ATOM 0 HA LEU A 76 -9.028 5.239 5.863 1.00 61.43 H new ATOM 0 HB2 LEU A 76 -8.170 6.125 3.115 1.00 74.21 H new ATOM 0 HB3 LEU A 76 -7.151 5.604 4.443 1.00 74.21 H new ATOM 0 HG LEU A 76 -9.143 3.913 2.925 1.00 71.31 H new ATOM 0 HD11 LEU A 76 -7.098 2.663 2.162 1.00 72.22 H new ATOM 0 HD12 LEU A 76 -7.063 4.370 1.658 1.00 72.22 H new ATOM 0 HD13 LEU A 76 -6.084 3.831 3.043 1.00 72.22 H new ATOM 0 HD21 LEU A 76 -8.242 1.963 4.159 1.00 4.01 H new ATOM 0 HD22 LEU A 76 -7.270 3.067 5.162 1.00 4.01 H new ATOM 0 HD23 LEU A 76 -9.047 3.133 5.231 1.00 4.01 H new ATOM 1067 N VAL A 77 -8.679 7.617 6.522 1.00 13.10 N ATOM 1068 CA VAL A 77 -8.707 8.966 7.092 1.00 54.42 C ATOM 1069 C VAL A 77 -7.303 9.461 7.427 1.00 12.40 C ATOM 1070 O VAL A 77 -6.350 8.673 7.480 1.00 34.41 O ATOM 1071 CB VAL A 77 -9.659 9.026 8.309 1.00 13.21 C ATOM 1072 CG1 VAL A 77 -11.104 9.155 7.825 1.00 42.14 C ATOM 1073 CG2 VAL A 77 -9.528 7.828 9.262 1.00 33.10 C ATOM 0 H VAL A 77 -8.203 6.937 7.114 1.00 13.10 H new ATOM 0 HA VAL A 77 -9.102 9.647 6.338 1.00 54.42 H new ATOM 0 HB VAL A 77 -9.368 9.903 8.886 1.00 13.21 H new ATOM 0 HG11 VAL A 77 -11.773 9.197 8.684 1.00 42.14 H new ATOM 0 HG12 VAL A 77 -11.211 10.067 7.237 1.00 42.14 H new ATOM 0 HG13 VAL A 77 -11.359 8.293 7.208 1.00 42.14 H new ATOM 0 HG21 VAL A 77 -10.228 7.943 10.090 1.00 33.10 H new ATOM 0 HG22 VAL A 77 -9.752 6.908 8.723 1.00 33.10 H new ATOM 0 HG23 VAL A 77 -8.511 7.782 9.651 1.00 33.10 H new ATOM 1083 N GLY A 78 -7.182 10.770 7.659 1.00 44.11 N ATOM 1084 CA GLY A 78 -5.923 11.432 7.950 1.00 13.20 C ATOM 1085 C GLY A 78 -5.149 11.762 6.679 1.00 52.25 C ATOM 1086 O GLY A 78 -5.601 11.529 5.554 1.00 34.43 O ATOM 0 H GLY A 78 -7.978 11.407 7.648 1.00 44.11 H new ATOM 0 HA2 GLY A 78 -6.115 12.349 8.507 1.00 13.20 H new ATOM 0 HA3 GLY A 78 -5.315 10.792 8.590 1.00 13.20 H new ATOM 1090 N LYS A 79 -3.978 12.368 6.857 1.00 44.03 N ATOM 1091 CA LYS A 79 -3.103 12.845 5.786 1.00 40.11 C ATOM 1092 C LYS A 79 -1.950 11.879 5.498 1.00 60.34 C ATOM 1093 O LYS A 79 -0.948 12.257 4.891 1.00 3.11 O ATOM 1094 CB LYS A 79 -2.667 14.279 6.133 1.00 0.34 C ATOM 1095 CG LYS A 79 -3.426 15.267 5.244 1.00 12.31 C ATOM 1096 CD LYS A 79 -3.330 16.705 5.775 1.00 43.02 C ATOM 1097 CE LYS A 79 -3.799 17.734 4.743 1.00 34.43 C ATOM 1098 NZ LYS A 79 -4.254 18.994 5.370 1.00 20.51 N ATOM 0 H LYS A 79 -3.597 12.548 7.786 1.00 44.03 H new ATOM 0 HA LYS A 79 -3.642 12.875 4.839 1.00 40.11 H new ATOM 0 HB2 LYS A 79 -2.868 14.488 7.184 1.00 0.34 H new ATOM 0 HB3 LYS A 79 -1.593 14.391 5.986 1.00 0.34 H new ATOM 0 HG2 LYS A 79 -3.025 15.226 4.231 1.00 12.31 H new ATOM 0 HG3 LYS A 79 -4.473 14.971 5.184 1.00 12.31 H new ATOM 0 HD2 LYS A 79 -3.933 16.798 6.678 1.00 43.02 H new ATOM 0 HD3 LYS A 79 -2.299 16.919 6.056 1.00 43.02 H new ATOM 0 HE2 LYS A 79 -2.984 17.949 4.052 1.00 34.43 H new ATOM 0 HE3 LYS A 79 -4.612 17.310 4.155 1.00 34.43 H new ATOM 0 HZ1 LYS A 79 -4.561 19.658 4.631 1.00 20.51 H new ATOM 0 HZ2 LYS A 79 -5.049 18.796 6.010 1.00 20.51 H new ATOM 0 HZ3 LYS A 79 -3.472 19.415 5.910 1.00 20.51 H new ATOM 1108 N ASP A 80 -2.114 10.616 5.874 1.00 73.41 N ATOM 1109 CA ASP A 80 -1.169 9.539 5.632 1.00 44.25 C ATOM 1110 C ASP A 80 -1.914 8.219 5.476 1.00 12.24 C ATOM 1111 O ASP A 80 -3.018 8.042 6.000 1.00 42.42 O ATOM 1112 CB ASP A 80 -0.169 9.388 6.783 1.00 52.34 C ATOM 1113 CG ASP A 80 -0.845 9.120 8.127 1.00 4.14 C ATOM 1114 OD1 ASP A 80 -1.337 10.084 8.759 1.00 62.25 O ATOM 1115 OD2 ASP A 80 -0.878 7.937 8.538 1.00 60.12 O ATOM 0 H ASP A 80 -2.945 10.304 6.377 1.00 73.41 H new ATOM 0 HA ASP A 80 -0.625 9.789 4.721 1.00 44.25 H new ATOM 0 HB2 ASP A 80 0.516 8.571 6.557 1.00 52.34 H new ATOM 0 HB3 ASP A 80 0.431 10.295 6.858 1.00 52.34 H new ATOM 1119 N THR A 81 -1.263 7.268 4.811 1.00 22.30 N ATOM 1120 CA THR A 81 -1.733 5.920 4.552 1.00 22.23 C ATOM 1121 C THR A 81 -0.492 5.029 4.475 1.00 4.03 C ATOM 1122 O THR A 81 0.639 5.513 4.360 1.00 71.43 O ATOM 1123 CB THR A 81 -2.554 5.904 3.243 1.00 15.42 C ATOM 1124 OG1 THR A 81 -3.412 7.020 3.113 1.00 0.43 O ATOM 1125 CG2 THR A 81 -3.473 4.695 3.206 1.00 1.14 C ATOM 0 H THR A 81 -0.337 7.434 4.417 1.00 22.30 H new ATOM 0 HA THR A 81 -2.393 5.553 5.338 1.00 22.23 H new ATOM 0 HB THR A 81 -1.811 5.900 2.445 1.00 15.42 H new ATOM 0 HG1 THR A 81 -3.904 6.958 2.268 1.00 0.43 H new ATOM 0 HG21 THR A 81 -4.043 4.700 2.277 1.00 1.14 H new ATOM 0 HG22 THR A 81 -2.878 3.784 3.261 1.00 1.14 H new ATOM 0 HG23 THR A 81 -4.158 4.733 4.053 1.00 1.14 H new ATOM 1133 N ARG A 82 -0.676 3.717 4.564 1.00 62.35 N ATOM 1134 CA ARG A 82 0.375 2.725 4.403 1.00 4.02 C ATOM 1135 C ARG A 82 -0.260 1.389 4.050 1.00 61.25 C ATOM 1136 O ARG A 82 -1.484 1.334 3.956 1.00 21.42 O ATOM 1137 CB ARG A 82 1.282 2.634 5.653 1.00 55.15 C ATOM 1138 CG ARG A 82 0.605 2.958 6.979 1.00 44.31 C ATOM 1139 CD ARG A 82 1.479 2.529 8.157 1.00 51.32 C ATOM 1140 NE ARG A 82 1.094 3.265 9.363 1.00 72.54 N ATOM 1141 CZ ARG A 82 1.917 3.643 10.338 1.00 43.05 C ATOM 1142 NH1 ARG A 82 3.137 3.127 10.463 1.00 20.14 N ATOM 1143 NH2 ARG A 82 1.476 4.551 11.193 1.00 3.12 N ATOM 0 H ARG A 82 -1.589 3.304 4.756 1.00 62.35 H new ATOM 0 HA ARG A 82 1.033 3.028 3.588 1.00 4.02 H new ATOM 0 HB2 ARG A 82 1.691 1.625 5.711 1.00 55.15 H new ATOM 0 HB3 ARG A 82 2.124 3.313 5.520 1.00 55.15 H new ATOM 0 HG2 ARG A 82 0.407 4.028 7.039 1.00 44.31 H new ATOM 0 HG3 ARG A 82 -0.359 2.452 7.033 1.00 44.31 H new ATOM 0 HD2 ARG A 82 1.374 1.457 8.326 1.00 51.32 H new ATOM 0 HD3 ARG A 82 2.528 2.714 7.928 1.00 51.32 H new ATOM 0 HE ARG A 82 0.109 3.509 9.465 1.00 72.54 H new ATOM 0 HH11 ARG A 82 3.463 2.423 9.801 1.00 20.14 H new ATOM 0 HH12 ARG A 82 3.746 3.436 11.220 1.00 20.14 H new ATOM 0 HH21 ARG A 82 0.536 4.934 11.090 1.00 3.12 H new ATOM 0 HH22 ARG A 82 2.076 4.868 11.955 1.00 3.12 H new ATOM 1154 N VAL A 83 0.545 0.345 3.852 1.00 51.45 N ATOM 1155 CA VAL A 83 0.116 -1.007 3.515 1.00 23.43 C ATOM 1156 C VAL A 83 0.920 -1.984 4.368 1.00 43.35 C ATOM 1157 O VAL A 83 2.150 -1.964 4.291 1.00 52.02 O ATOM 1158 CB VAL A 83 0.344 -1.260 2.014 1.00 21.42 C ATOM 1159 CG1 VAL A 83 -0.016 -2.700 1.634 1.00 32.40 C ATOM 1160 CG2 VAL A 83 -0.490 -0.320 1.138 1.00 2.24 C ATOM 0 H VAL A 83 1.559 0.425 3.926 1.00 51.45 H new ATOM 0 HA VAL A 83 -0.946 -1.142 3.718 1.00 23.43 H new ATOM 0 HB VAL A 83 1.403 -1.075 1.837 1.00 21.42 H new ATOM 0 HG11 VAL A 83 0.155 -2.849 0.568 1.00 32.40 H new ATOM 0 HG12 VAL A 83 0.606 -3.392 2.201 1.00 32.40 H new ATOM 0 HG13 VAL A 83 -1.066 -2.885 1.862 1.00 32.40 H new ATOM 0 HG21 VAL A 83 -0.297 -0.535 0.087 1.00 2.24 H new ATOM 0 HG22 VAL A 83 -1.549 -0.469 1.350 1.00 2.24 H new ATOM 0 HG23 VAL A 83 -0.219 0.714 1.353 1.00 2.24 H new ATOM 1170 N PHE A 84 0.253 -2.839 5.149 1.00 55.41 N ATOM 1171 CA PHE A 84 0.862 -3.986 5.805 1.00 44.33 C ATOM 1172 C PHE A 84 0.578 -5.190 4.915 1.00 22.54 C ATOM 1173 O PHE A 84 -0.550 -5.664 4.841 1.00 34.24 O ATOM 1174 CB PHE A 84 0.309 -4.150 7.237 1.00 15.12 C ATOM 1175 CG PHE A 84 0.642 -3.054 8.248 1.00 14.04 C ATOM 1176 CD1 PHE A 84 1.657 -2.116 7.993 1.00 43.34 C ATOM 1177 CD2 PHE A 84 -0.039 -2.985 9.477 1.00 34.51 C ATOM 1178 CE1 PHE A 84 1.979 -1.112 8.915 1.00 75.12 C ATOM 1179 CE2 PHE A 84 0.304 -2.006 10.429 1.00 60.23 C ATOM 1180 CZ PHE A 84 1.310 -1.067 10.146 1.00 12.04 C ATOM 0 H PHE A 84 -0.744 -2.746 5.343 1.00 55.41 H new ATOM 0 HA PHE A 84 1.939 -3.865 5.925 1.00 44.33 H new ATOM 0 HB2 PHE A 84 -0.776 -4.230 7.172 1.00 15.12 H new ATOM 0 HB3 PHE A 84 0.676 -5.097 7.633 1.00 15.12 H new ATOM 0 HD1 PHE A 84 2.203 -2.171 7.063 1.00 43.34 H new ATOM 0 HD2 PHE A 84 -0.830 -3.688 9.692 1.00 34.51 H new ATOM 0 HE1 PHE A 84 2.736 -0.379 8.680 1.00 75.12 H new ATOM 0 HE2 PHE A 84 -0.208 -1.977 11.380 1.00 60.23 H new ATOM 0 HZ PHE A 84 1.567 -0.313 10.875 1.00 12.04 H new ATOM 1189 N ILE A 85 1.584 -5.651 4.179 1.00 35.41 N ATOM 1190 CA ILE A 85 1.570 -7.016 3.665 1.00 73.12 C ATOM 1191 C ILE A 85 1.806 -7.899 4.893 1.00 1.12 C ATOM 1192 O ILE A 85 2.719 -7.594 5.665 1.00 34.22 O ATOM 1193 CB ILE A 85 2.687 -7.236 2.622 1.00 53.23 C ATOM 1194 CG1 ILE A 85 2.653 -6.227 1.455 1.00 0.11 C ATOM 1195 CG2 ILE A 85 2.602 -8.646 2.020 1.00 72.54 C ATOM 1196 CD1 ILE A 85 3.844 -6.397 0.492 1.00 61.11 C ATOM 0 H ILE A 85 2.410 -5.108 3.927 1.00 35.41 H new ATOM 0 HA ILE A 85 0.632 -7.245 3.159 1.00 73.12 H new ATOM 0 HB ILE A 85 3.618 -7.094 3.171 1.00 53.23 H new ATOM 0 HG12 ILE A 85 1.722 -6.348 0.901 1.00 0.11 H new ATOM 0 HG13 ILE A 85 2.656 -5.213 1.855 1.00 0.11 H new ATOM 0 HG21 ILE A 85 3.399 -8.778 1.288 1.00 72.54 H new ATOM 0 HG22 ILE A 85 2.711 -9.387 2.812 1.00 72.54 H new ATOM 0 HG23 ILE A 85 1.636 -8.776 1.532 1.00 72.54 H new ATOM 0 HD11 ILE A 85 3.771 -5.663 -0.310 1.00 61.11 H new ATOM 0 HD12 ILE A 85 4.776 -6.248 1.037 1.00 61.11 H new ATOM 0 HD13 ILE A 85 3.828 -7.401 0.067 1.00 61.11 H new ATOM 1207 N GLU A 86 1.032 -8.971 5.035 1.00 33.43 N ATOM 1208 CA GLU A 86 1.296 -10.091 5.926 1.00 72.32 C ATOM 1209 C GLU A 86 0.786 -11.373 5.247 1.00 23.14 C ATOM 1210 O GLU A 86 0.384 -11.338 4.080 1.00 13.00 O ATOM 1211 CB GLU A 86 0.708 -9.850 7.327 1.00 2.14 C ATOM 1212 CG GLU A 86 -0.797 -9.530 7.371 1.00 0.42 C ATOM 1213 CD GLU A 86 -1.402 -9.830 8.750 1.00 63.21 C ATOM 1214 OE1 GLU A 86 -0.711 -9.641 9.782 1.00 1.23 O ATOM 1215 OE2 GLU A 86 -2.554 -10.314 8.808 1.00 31.33 O ATOM 0 H GLU A 86 0.166 -9.085 4.508 1.00 33.43 H new ATOM 0 HA GLU A 86 2.367 -10.202 6.097 1.00 72.32 H new ATOM 0 HB2 GLU A 86 0.891 -10.736 7.935 1.00 2.14 H new ATOM 0 HB3 GLU A 86 1.250 -9.027 7.792 1.00 2.14 H new ATOM 0 HG2 GLU A 86 -0.953 -8.479 7.126 1.00 0.42 H new ATOM 0 HG3 GLU A 86 -1.316 -10.115 6.611 1.00 0.42 H new ATOM 1220 N LEU A 87 0.863 -12.508 5.944 1.00 23.20 N ATOM 1221 CA LEU A 87 0.248 -13.756 5.506 1.00 35.22 C ATOM 1222 C LEU A 87 -0.974 -14.007 6.379 1.00 61.42 C ATOM 1223 O LEU A 87 -1.014 -13.551 7.525 1.00 51.02 O ATOM 1224 CB LEU A 87 1.203 -14.954 5.647 1.00 55.44 C ATOM 1225 CG LEU A 87 2.600 -14.775 5.032 1.00 3.04 C ATOM 1226 CD1 LEU A 87 3.466 -15.996 5.362 1.00 0.30 C ATOM 1227 CD2 LEU A 87 2.532 -14.592 3.515 1.00 2.33 C ATOM 0 H LEU A 87 1.357 -12.585 6.833 1.00 23.20 H new ATOM 0 HA LEU A 87 -0.014 -13.660 4.452 1.00 35.22 H new ATOM 0 HB2 LEU A 87 1.320 -15.178 6.707 1.00 55.44 H new ATOM 0 HB3 LEU A 87 0.734 -15.824 5.188 1.00 55.44 H new ATOM 0 HG LEU A 87 3.041 -13.874 5.459 1.00 3.04 H new ATOM 0 HD11 LEU A 87 4.457 -15.868 4.925 1.00 0.30 H new ATOM 0 HD12 LEU A 87 3.556 -16.096 6.444 1.00 0.30 H new ATOM 0 HD13 LEU A 87 3.002 -16.893 4.952 1.00 0.30 H new ATOM 0 HD21 LEU A 87 3.540 -14.469 3.118 1.00 2.33 H new ATOM 0 HD22 LEU A 87 2.069 -15.469 3.063 1.00 2.33 H new ATOM 0 HD23 LEU A 87 1.939 -13.708 3.281 1.00 2.33 H new ATOM 1238 N ASP A 88 -1.923 -14.790 5.876 1.00 35.41 N ATOM 1239 CA ASP A 88 -3.022 -15.327 6.670 1.00 60.54 C ATOM 1240 C ASP A 88 -3.572 -16.577 5.970 1.00 22.44 C ATOM 1241 O ASP A 88 -2.955 -17.090 5.038 1.00 40.33 O ATOM 1242 CB ASP A 88 -4.119 -14.261 6.889 1.00 74.53 C ATOM 1243 CG ASP A 88 -4.836 -14.411 8.235 1.00 35.31 C ATOM 1244 OD1 ASP A 88 -4.875 -15.529 8.803 1.00 4.31 O ATOM 1245 OD2 ASP A 88 -5.280 -13.377 8.788 1.00 24.13 O ATOM 0 H ASP A 88 -1.951 -15.072 4.896 1.00 35.41 H new ATOM 0 HA ASP A 88 -2.660 -15.607 7.659 1.00 60.54 H new ATOM 0 HB2 ASP A 88 -3.671 -13.269 6.830 1.00 74.53 H new ATOM 0 HB3 ASP A 88 -4.851 -14.329 6.084 1.00 74.53 H new ATOM 1249 N GLU A 89 -4.741 -17.045 6.398 1.00 23.53 N ATOM 1250 CA GLU A 89 -5.577 -18.113 5.870 1.00 2.43 C ATOM 1251 C GLU A 89 -4.851 -19.459 5.963 1.00 72.11 C ATOM 1252 O GLU A 89 -5.068 -20.213 6.913 1.00 63.35 O ATOM 1253 CB GLU A 89 -6.165 -17.789 4.474 1.00 2.01 C ATOM 1254 CG GLU A 89 -6.383 -16.310 4.107 1.00 13.12 C ATOM 1255 CD GLU A 89 -7.306 -15.484 5.006 1.00 33.32 C ATOM 1256 OE1 GLU A 89 -7.906 -16.001 5.971 1.00 11.13 O ATOM 1257 OE2 GLU A 89 -7.465 -14.271 4.729 1.00 40.44 O ATOM 0 H GLU A 89 -5.175 -16.632 7.224 1.00 23.53 H new ATOM 0 HA GLU A 89 -6.461 -18.198 6.502 1.00 2.43 H new ATOM 0 HB2 GLU A 89 -5.505 -18.225 3.724 1.00 2.01 H new ATOM 0 HB3 GLU A 89 -7.125 -18.299 4.389 1.00 2.01 H new ATOM 0 HG2 GLU A 89 -5.409 -15.822 4.087 1.00 13.12 H new ATOM 0 HG3 GLU A 89 -6.780 -16.271 3.092 1.00 13.12 H new ATOM 1262 N ASN A 90 -3.956 -19.746 5.022 1.00 62.42 N ATOM 1263 CA ASN A 90 -3.182 -20.985 4.907 1.00 14.44 C ATOM 1264 C ASN A 90 -1.759 -20.643 4.474 1.00 40.33 C ATOM 1265 O ASN A 90 -1.228 -21.227 3.527 1.00 20.30 O ATOM 1266 CB ASN A 90 -3.813 -21.994 3.935 1.00 34.30 C ATOM 1267 CG ASN A 90 -5.282 -22.246 4.162 1.00 63.43 C ATOM 1268 OD1 ASN A 90 -5.670 -23.095 4.970 1.00 43.43 O ATOM 1269 ND2 ASN A 90 -6.111 -21.526 3.431 1.00 22.42 N ATOM 0 H ASN A 90 -3.737 -19.086 4.276 1.00 62.42 H new ATOM 0 HA ASN A 90 -3.174 -21.467 5.885 1.00 14.44 H new ATOM 0 HB2 ASN A 90 -3.672 -21.634 2.916 1.00 34.30 H new ATOM 0 HB3 ASN A 90 -3.278 -22.940 4.016 1.00 34.30 H new ATOM 0 HD21 ASN A 90 -7.118 -21.660 3.521 1.00 22.42 H new ATOM 0 HD22 ASN A 90 -5.745 -20.835 2.776 1.00 22.42 H new ATOM 1275 N ALA A 91 -1.144 -19.686 5.175 1.00 34.13 N ATOM 1276 CA ALA A 91 0.147 -19.104 4.830 1.00 71.53 C ATOM 1277 C ALA A 91 0.100 -18.518 3.410 1.00 3.24 C ATOM 1278 O ALA A 91 1.043 -18.676 2.627 1.00 44.22 O ATOM 1279 CB ALA A 91 1.251 -20.147 5.052 1.00 41.44 C ATOM 0 H ALA A 91 -1.547 -19.286 6.023 1.00 34.13 H new ATOM 0 HA ALA A 91 0.384 -18.264 5.483 1.00 71.53 H new ATOM 0 HB1 ALA A 91 2.218 -19.714 4.795 1.00 41.44 H new ATOM 0 HB2 ALA A 91 1.257 -20.453 6.098 1.00 41.44 H new ATOM 0 HB3 ALA A 91 1.063 -21.016 4.421 1.00 41.44 H new ATOM 1285 N ASP A 92 -1.022 -17.882 3.080 1.00 64.45 N ATOM 1286 CA ASP A 92 -1.357 -17.286 1.792 1.00 62.22 C ATOM 1287 C ASP A 92 -1.142 -15.780 1.903 1.00 3.31 C ATOM 1288 O ASP A 92 -1.166 -15.225 3.003 1.00 20.32 O ATOM 1289 CB ASP A 92 -2.833 -17.548 1.454 1.00 32.32 C ATOM 1290 CG ASP A 92 -3.186 -19.031 1.260 1.00 14.00 C ATOM 1291 OD1 ASP A 92 -2.447 -19.735 0.525 1.00 73.23 O ATOM 1292 OD2 ASP A 92 -4.202 -19.496 1.820 1.00 12.32 O ATOM 0 H ASP A 92 -1.775 -17.762 3.757 1.00 64.45 H new ATOM 0 HA ASP A 92 -0.731 -17.719 1.011 1.00 62.22 H new ATOM 0 HB2 ASP A 92 -3.454 -17.141 2.252 1.00 32.32 H new ATOM 0 HB3 ASP A 92 -3.087 -17.005 0.544 1.00 32.32 H new ATOM 1296 N VAL A 93 -0.958 -15.090 0.778 1.00 43.04 N ATOM 1297 CA VAL A 93 -0.656 -13.665 0.792 1.00 61.42 C ATOM 1298 C VAL A 93 -1.936 -12.868 1.016 1.00 11.44 C ATOM 1299 O VAL A 93 -2.850 -12.945 0.192 1.00 31.24 O ATOM 1300 CB VAL A 93 -0.028 -13.217 -0.537 1.00 62.42 C ATOM 1301 CG1 VAL A 93 0.449 -11.759 -0.424 1.00 13.11 C ATOM 1302 CG2 VAL A 93 1.144 -14.094 -0.975 1.00 43.45 C ATOM 0 H VAL A 93 -1.014 -15.499 -0.155 1.00 43.04 H new ATOM 0 HA VAL A 93 0.053 -13.483 1.600 1.00 61.42 H new ATOM 0 HB VAL A 93 -0.805 -13.313 -1.295 1.00 62.42 H new ATOM 0 HG11 VAL A 93 0.893 -11.447 -1.369 1.00 13.11 H new ATOM 0 HG12 VAL A 93 -0.400 -11.115 -0.192 1.00 13.11 H new ATOM 0 HG13 VAL A 93 1.192 -11.680 0.370 1.00 13.11 H new ATOM 0 HG21 VAL A 93 1.542 -13.724 -1.920 1.00 43.45 H new ATOM 0 HG22 VAL A 93 1.925 -14.063 -0.215 1.00 43.45 H new ATOM 0 HG23 VAL A 93 0.802 -15.121 -1.103 1.00 43.45 H new ATOM 1312 N GLN A 94 -1.953 -12.025 2.046 1.00 4.33 N ATOM 1313 CA GLN A 94 -3.018 -11.046 2.249 1.00 64.41 C ATOM 1314 C GLN A 94 -2.467 -9.615 2.309 1.00 55.25 C ATOM 1315 O GLN A 94 -1.260 -9.365 2.229 1.00 13.43 O ATOM 1316 CB GLN A 94 -3.833 -11.399 3.507 1.00 32.11 C ATOM 1317 CG GLN A 94 -4.354 -12.841 3.518 1.00 21.11 C ATOM 1318 CD GLN A 94 -5.141 -13.234 2.267 1.00 14.32 C ATOM 1319 OE1 GLN A 94 -5.974 -12.470 1.770 1.00 23.24 O ATOM 1320 NE2 GLN A 94 -4.908 -14.431 1.750 1.00 11.12 N ATOM 0 H GLN A 94 -1.228 -12.001 2.764 1.00 4.33 H new ATOM 0 HA GLN A 94 -3.688 -11.086 1.390 1.00 64.41 H new ATOM 0 HB2 GLN A 94 -3.212 -11.240 4.388 1.00 32.11 H new ATOM 0 HB3 GLN A 94 -4.679 -10.716 3.585 1.00 32.11 H new ATOM 0 HG2 GLN A 94 -3.509 -13.520 3.630 1.00 21.11 H new ATOM 0 HG3 GLN A 94 -4.991 -12.979 4.392 1.00 21.11 H new ATOM 0 HE21 GLN A 94 -4.215 -15.045 2.178 1.00 11.12 H new ATOM 0 HE22 GLN A 94 -5.422 -14.739 0.924 1.00 11.12 H new ATOM 1327 N VAL A 95 -3.385 -8.658 2.411 1.00 40.44 N ATOM 1328 CA VAL A 95 -3.126 -7.253 2.683 1.00 23.23 C ATOM 1329 C VAL A 95 -3.943 -6.795 3.881 1.00 15.31 C ATOM 1330 O VAL A 95 -5.132 -7.065 4.002 1.00 64.41 O ATOM 1331 CB VAL A 95 -3.287 -6.359 1.462 1.00 43.22 C ATOM 1332 CG1 VAL A 95 -4.483 -6.622 0.590 1.00 75.41 C ATOM 1333 CG2 VAL A 95 -2.721 -4.965 1.751 1.00 23.20 C ATOM 0 H VAL A 95 -4.380 -8.855 2.300 1.00 40.44 H new ATOM 0 HA VAL A 95 -2.072 -7.154 2.942 1.00 23.23 H new ATOM 0 HB VAL A 95 -2.642 -6.656 0.635 1.00 43.22 H new ATOM 0 HG11 VAL A 95 -4.486 -5.921 -0.245 1.00 75.41 H new ATOM 0 HG12 VAL A 95 -4.437 -7.642 0.208 1.00 75.41 H new ATOM 0 HG13 VAL A 95 -5.394 -6.494 1.174 1.00 75.41 H new ATOM 0 HG21 VAL A 95 -2.841 -4.334 0.871 1.00 23.20 H new ATOM 0 HG22 VAL A 95 -3.256 -4.522 2.591 1.00 23.20 H new ATOM 0 HG23 VAL A 95 -1.662 -5.046 1.997 1.00 23.20 H new ATOM 1343 N PHE A 96 -3.302 -6.035 4.753 1.00 74.24 N ATOM 1344 CA PHE A 96 -3.836 -5.407 5.930 1.00 40.02 C ATOM 1345 C PHE A 96 -3.415 -3.937 5.945 1.00 21.20 C ATOM 1346 O PHE A 96 -2.532 -3.506 5.191 1.00 24.22 O ATOM 1347 CB PHE A 96 -3.293 -6.156 7.154 1.00 43.05 C ATOM 1348 CG PHE A 96 -4.168 -5.920 8.366 1.00 23.43 C ATOM 1349 CD1 PHE A 96 -5.448 -6.505 8.406 1.00 73.45 C ATOM 1350 CD2 PHE A 96 -3.763 -5.048 9.394 1.00 53.13 C ATOM 1351 CE1 PHE A 96 -6.343 -6.169 9.433 1.00 24.40 C ATOM 1352 CE2 PHE A 96 -4.658 -4.719 10.426 1.00 35.11 C ATOM 1353 CZ PHE A 96 -5.957 -5.257 10.431 1.00 64.23 C ATOM 0 H PHE A 96 -2.310 -5.830 4.637 1.00 74.24 H new ATOM 0 HA PHE A 96 -4.925 -5.446 5.943 1.00 40.02 H new ATOM 0 HB2 PHE A 96 -3.243 -7.223 6.939 1.00 43.05 H new ATOM 0 HB3 PHE A 96 -2.276 -5.826 7.365 1.00 43.05 H new ATOM 0 HD1 PHE A 96 -5.741 -7.213 7.645 1.00 73.45 H new ATOM 0 HD2 PHE A 96 -2.766 -4.633 9.390 1.00 53.13 H new ATOM 0 HE1 PHE A 96 -7.328 -6.611 9.457 1.00 24.40 H new ATOM 0 HE2 PHE A 96 -4.348 -4.052 11.217 1.00 35.11 H new ATOM 0 HZ PHE A 96 -6.658 -4.970 11.201 1.00 64.23 H new ATOM 1362 N ILE A 97 -4.016 -3.147 6.831 1.00 64.42 N ATOM 1363 CA ILE A 97 -3.658 -1.757 7.045 1.00 52.32 C ATOM 1364 C ILE A 97 -3.991 -1.344 8.476 1.00 61.45 C ATOM 1365 O ILE A 97 -5.027 -1.763 8.988 1.00 14.00 O ATOM 1366 CB ILE A 97 -4.403 -0.837 6.051 1.00 33.14 C ATOM 1367 CG1 ILE A 97 -5.853 -1.268 5.754 1.00 62.21 C ATOM 1368 CG2 ILE A 97 -3.603 -0.658 4.756 1.00 42.05 C ATOM 1369 CD1 ILE A 97 -6.613 -0.188 4.985 1.00 13.41 C ATOM 0 H ILE A 97 -4.779 -3.466 7.429 1.00 64.42 H new ATOM 0 HA ILE A 97 -2.586 -1.653 6.878 1.00 52.32 H new ATOM 0 HB ILE A 97 -4.484 0.127 6.553 1.00 33.14 H new ATOM 0 HG12 ILE A 97 -5.848 -2.192 5.176 1.00 62.21 H new ATOM 0 HG13 ILE A 97 -6.369 -1.481 6.690 1.00 62.21 H new ATOM 0 HG21 ILE A 97 -4.152 -0.006 4.076 1.00 42.05 H new ATOM 0 HG22 ILE A 97 -2.635 -0.211 4.985 1.00 42.05 H new ATOM 0 HG23 ILE A 97 -3.452 -1.629 4.285 1.00 42.05 H new ATOM 0 HD11 ILE A 97 -7.631 -0.526 4.793 1.00 13.41 H new ATOM 0 HD12 ILE A 97 -6.640 0.728 5.575 1.00 13.41 H new ATOM 0 HD13 ILE A 97 -6.110 0.006 4.037 1.00 13.41 H new ATOM 1380 N PRO A 98 -3.184 -0.468 9.102 1.00 12.42 N ATOM 1381 CA PRO A 98 -3.557 0.115 10.380 1.00 33.21 C ATOM 1382 C PRO A 98 -4.621 1.208 10.180 1.00 62.31 C ATOM 1383 O PRO A 98 -4.288 2.369 9.902 1.00 60.32 O ATOM 1384 CB PRO A 98 -2.248 0.633 10.975 1.00 4.32 C ATOM 1385 CG PRO A 98 -1.439 1.029 9.740 1.00 40.25 C ATOM 1386 CD PRO A 98 -1.891 0.055 8.645 1.00 55.25 C ATOM 0 HA PRO A 98 -4.021 -0.598 11.062 1.00 33.21 H new ATOM 0 HB2 PRO A 98 -2.415 1.483 11.637 1.00 4.32 H new ATOM 0 HB3 PRO A 98 -1.740 -0.133 11.561 1.00 4.32 H new ATOM 0 HG2 PRO A 98 -1.634 2.063 9.455 1.00 40.25 H new ATOM 0 HG3 PRO A 98 -0.368 0.946 9.926 1.00 40.25 H new ATOM 0 HD2 PRO A 98 -1.989 0.561 7.684 1.00 55.25 H new ATOM 0 HD3 PRO A 98 -1.167 -0.749 8.510 1.00 55.25 H new ATOM 1391 N GLN A 99 -5.894 0.841 10.303 1.00 64.53 N ATOM 1392 CA GLN A 99 -7.032 1.753 10.438 1.00 4.24 C ATOM 1393 C GLN A 99 -7.545 1.682 11.881 1.00 14.30 C ATOM 1394 O GLN A 99 -6.883 1.096 12.745 1.00 52.04 O ATOM 1395 CB GLN A 99 -8.121 1.393 9.405 1.00 31.34 C ATOM 1396 CG GLN A 99 -7.767 1.866 7.992 1.00 2.43 C ATOM 1397 CD GLN A 99 -7.671 3.394 7.894 1.00 52.22 C ATOM 1398 OE1 GLN A 99 -8.640 4.124 8.047 1.00 34.33 O ATOM 1399 NE2 GLN A 99 -6.487 3.917 7.647 1.00 13.30 N ATOM 0 H GLN A 99 -6.175 -0.140 10.312 1.00 64.53 H new ATOM 0 HA GLN A 99 -6.732 2.781 10.233 1.00 4.24 H new ATOM 0 HB2 GLN A 99 -8.267 0.313 9.397 1.00 31.34 H new ATOM 0 HB3 GLN A 99 -9.067 1.841 9.708 1.00 31.34 H new ATOM 0 HG2 GLN A 99 -6.817 1.425 7.692 1.00 2.43 H new ATOM 0 HG3 GLN A 99 -8.521 1.506 7.292 1.00 2.43 H new ATOM 0 HE21 GLN A 99 -5.678 3.309 7.519 1.00 13.30 H new ATOM 0 HE22 GLN A 99 -6.380 4.929 7.584 1.00 13.30 H new