USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 100 TYR OH : rot 121:sc= 0.533 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -127:sc= -1.51! (180deg=-2.17!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -3.05! C(o=-4.4!,f=-5.2!) USER MOD Set 2.2: A 58 THR OG1 : rot -160:sc= -1.36 USER MOD Single : A 32 SER OG : rot 180:sc= -0.348 USER MOD Single : A 36 SER OG : rot -140:sc= -0.551 USER MOD Single : A 37 ASN : amide:sc= -0.353 K(o=-0.35,f=-3.3!) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= -0.14 (180deg=-0.659) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 48 THR OG1 : rot -63:sc= 0.721 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -56:sc= 1.14 USER MOD Single : A 52 THR OG1 : rot 16:sc= -4.59! USER MOD Single : A 55 SER OG : rot 170:sc= -1.61! USER MOD Single : A 57 SER OG : rot -148:sc= -0.447! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 19:sc= -4.45! USER MOD Single : A 69 ASN : amide:sc= -5.16! K(o=-5.2!,f=-3.4) USER MOD Single : A 70 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.12!) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0.0864 (180deg=0.0704) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= -0.131 (180deg=-0.707) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 0.764 (180deg=-0.238!) USER MOD Single : A 92 GLN : amide:sc= -17.9! C(o=-18!,f=-16!) USER MOD Single : A 102 TYR OH : rot -32:sc= 0.779 USER MOD Single : A 103 HIS : no HD1:sc=-0.00522 X(o=-0.0052,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 75 N PRO A 29 -7.857 2.641 -0.194 1.00 1.75 N ATOM 76 CA PRO A 29 -7.151 1.385 -0.509 1.00 1.73 C ATOM 77 C PRO A 29 -6.236 1.534 -1.736 1.00 1.12 C ATOM 78 O PRO A 29 -6.712 1.761 -2.847 1.00 0.97 O ATOM 79 CB PRO A 29 -8.315 0.416 -0.780 1.00 2.28 C ATOM 80 CG PRO A 29 -9.437 0.957 0.026 1.00 2.24 C ATOM 81 CD PRO A 29 -9.316 2.444 -0.101 1.00 1.93 C ATOM 0 HA PRO A 29 -6.482 1.052 0.285 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -8.566 0.383 -1.840 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -8.064 -0.601 -0.480 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -10.398 0.605 -0.348 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -9.365 0.642 1.067 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -9.833 2.819 -0.984 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -9.741 2.960 0.760 1.00 1.93 H new ATOM 89 N ARG A 30 -4.914 1.438 -1.520 1.00 1.14 N ATOM 90 CA ARG A 30 -3.942 1.594 -2.609 1.00 0.83 C ATOM 91 C ARG A 30 -2.502 1.408 -2.119 1.00 0.77 C ATOM 92 O ARG A 30 -2.239 1.403 -0.922 1.00 1.19 O ATOM 93 CB ARG A 30 -4.091 2.967 -3.273 1.00 1.44 C ATOM 94 CG ARG A 30 -4.547 4.051 -2.315 1.00 2.12 C ATOM 95 CD ARG A 30 -3.987 5.413 -2.682 1.00 2.57 C ATOM 96 NE ARG A 30 -4.423 5.845 -4.008 1.00 3.02 N ATOM 97 CZ ARG A 30 -4.229 7.069 -4.486 1.00 3.70 C ATOM 98 NH1 ARG A 30 -3.615 7.983 -3.746 1.00 4.01 N ATOM 99 NH2 ARG A 30 -4.653 7.381 -5.703 1.00 4.42 N ATOM 0 H ARG A 30 -4.498 1.254 -0.607 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.152 0.815 -3.342 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -3.136 3.257 -3.710 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -4.806 2.891 -4.092 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -5.636 4.097 -2.312 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -4.236 3.793 -1.303 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -4.302 6.147 -1.940 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -2.898 5.377 -2.652 1.00 2.57 H new ATOM 0 HE ARG A 30 -4.904 5.168 -4.600 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -3.291 7.746 -2.808 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -3.467 8.922 -4.115 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -5.128 6.681 -6.273 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -4.504 8.321 -6.070 1.00 4.42 H new ATOM 113 N LEU A 31 -1.556 1.301 -3.044 1.00 0.67 N ATOM 114 CA LEU A 31 -0.153 1.189 -2.654 1.00 0.66 C ATOM 115 C LEU A 31 0.237 2.483 -1.952 1.00 0.79 C ATOM 116 O LEU A 31 0.086 3.566 -2.513 1.00 1.21 O ATOM 117 CB LEU A 31 0.745 0.963 -3.876 1.00 0.92 C ATOM 118 CG LEU A 31 2.226 1.306 -3.700 1.00 0.91 C ATOM 119 CD1 LEU A 31 2.859 0.434 -2.631 1.00 1.49 C ATOM 120 CD2 LEU A 31 2.953 1.146 -5.022 1.00 1.39 C ATOM 0 H LEU A 31 -1.727 1.289 -4.049 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.022 0.333 -1.992 1.00 0.66 H new ATOM 0 HB2 LEU A 31 0.668 -0.084 -4.168 1.00 0.92 H new ATOM 0 HB3 LEU A 31 0.353 1.554 -4.703 1.00 0.92 H new ATOM 0 HG LEU A 31 2.308 2.344 -3.376 1.00 0.91 H new ATOM 0 HD11 LEU A 31 3.912 0.696 -2.524 1.00 1.49 H new ATOM 0 HD12 LEU A 31 2.347 0.593 -1.682 1.00 1.49 H new ATOM 0 HD13 LEU A 31 2.774 -0.614 -2.919 1.00 1.49 H new ATOM 0 HD21 LEU A 31 4.007 1.392 -4.890 1.00 1.39 H new ATOM 0 HD22 LEU A 31 2.861 0.116 -5.365 1.00 1.39 H new ATOM 0 HD23 LEU A 31 2.514 1.816 -5.762 1.00 1.39 H new ATOM 132 N SER A 32 0.708 2.377 -0.724 1.00 0.65 N ATOM 133 CA SER A 32 1.081 3.555 0.043 1.00 0.88 C ATOM 134 C SER A 32 2.585 3.773 0.031 1.00 0.67 C ATOM 135 O SER A 32 3.345 2.972 0.576 1.00 1.05 O ATOM 136 CB SER A 32 0.583 3.426 1.480 1.00 1.42 C ATOM 137 OG SER A 32 -0.808 3.150 1.517 1.00 1.57 O ATOM 0 H SER A 32 0.842 1.492 -0.236 1.00 0.65 H new ATOM 0 HA SER A 32 0.612 4.421 -0.425 1.00 0.88 H new ATOM 0 HB2 SER A 32 1.128 2.630 1.987 1.00 1.42 H new ATOM 0 HB3 SER A 32 0.788 4.348 2.023 1.00 1.42 H new ATOM 0 HG SER A 32 -1.101 3.070 2.449 1.00 1.57 H new ATOM 143 N VAL A 33 3.008 4.872 -0.583 1.00 0.65 N ATOM 144 CA VAL A 33 4.419 5.203 -0.651 1.00 0.78 C ATOM 145 C VAL A 33 4.702 6.490 0.118 1.00 0.74 C ATOM 146 O VAL A 33 4.386 7.585 -0.344 1.00 1.28 O ATOM 147 CB VAL A 33 4.880 5.365 -2.112 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.669 4.073 -2.884 1.00 2.53 C ATOM 149 CG2 VAL A 33 4.148 6.519 -2.779 1.00 2.05 C ATOM 0 H VAL A 33 2.392 5.545 -1.039 1.00 0.65 H new ATOM 0 HA VAL A 33 4.975 4.382 -0.198 1.00 0.78 H new ATOM 0 HB VAL A 33 5.946 5.593 -2.114 1.00 1.59 H new ATOM 0 HG11 VAL A 33 5.000 4.206 -3.914 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.244 3.273 -2.418 1.00 2.53 H new ATOM 0 HG13 VAL A 33 3.611 3.812 -2.874 1.00 2.53 H new ATOM 0 HG21 VAL A 33 4.487 6.618 -3.810 1.00 2.05 H new ATOM 0 HG22 VAL A 33 3.075 6.325 -2.767 1.00 2.05 H new ATOM 0 HG23 VAL A 33 4.356 7.443 -2.239 1.00 2.05 H new ATOM 159 N PHE A 34 5.306 6.346 1.294 1.00 0.53 N ATOM 160 CA PHE A 34 5.637 7.498 2.125 1.00 0.78 C ATOM 161 C PHE A 34 7.029 7.357 2.718 1.00 0.52 C ATOM 162 O PHE A 34 7.552 6.250 2.840 1.00 0.90 O ATOM 163 CB PHE A 34 4.615 7.681 3.245 1.00 1.43 C ATOM 164 CG PHE A 34 4.395 6.449 4.062 1.00 1.74 C ATOM 165 CD1 PHE A 34 3.862 5.317 3.483 1.00 1.73 C ATOM 166 CD2 PHE A 34 4.718 6.426 5.408 1.00 2.51 C ATOM 167 CE1 PHE A 34 3.650 4.174 4.231 1.00 2.58 C ATOM 168 CE2 PHE A 34 4.511 5.288 6.164 1.00 3.37 C ATOM 169 CZ PHE A 34 3.975 4.159 5.574 1.00 3.43 C ATOM 0 H PHE A 34 5.575 5.446 1.692 1.00 0.53 H new ATOM 0 HA PHE A 34 5.614 8.380 1.485 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.947 8.487 3.900 1.00 1.43 H new ATOM 0 HB3 PHE A 34 3.665 7.993 2.811 1.00 1.43 H new ATOM 0 HD1 PHE A 34 3.607 5.323 2.433 1.00 1.73 H new ATOM 0 HD2 PHE A 34 5.136 7.307 5.872 1.00 2.51 H new ATOM 0 HE1 PHE A 34 3.231 3.294 3.766 1.00 2.58 H new ATOM 0 HE2 PHE A 34 4.767 5.281 7.213 1.00 3.37 H new ATOM 0 HZ PHE A 34 3.811 3.267 6.161 1.00 3.43 H new ATOM 179 N ARG A 35 7.619 8.482 3.100 1.00 0.77 N ATOM 180 CA ARG A 35 8.947 8.476 3.692 1.00 0.81 C ATOM 181 C ARG A 35 8.866 8.648 5.203 1.00 0.85 C ATOM 182 O ARG A 35 8.464 9.702 5.698 1.00 1.32 O ATOM 183 CB ARG A 35 9.810 9.580 3.077 1.00 1.41 C ATOM 184 CG ARG A 35 9.221 10.972 3.236 1.00 2.08 C ATOM 185 CD ARG A 35 10.048 12.014 2.501 1.00 2.72 C ATOM 186 NE ARG A 35 10.115 11.746 1.066 1.00 3.21 N ATOM 187 CZ ARG A 35 9.183 12.127 0.198 1.00 3.85 C ATOM 188 NH1 ARG A 35 8.106 12.780 0.616 1.00 4.13 N ATOM 189 NH2 ARG A 35 9.325 11.851 -1.092 1.00 4.60 N ATOM 0 H ARG A 35 7.199 9.407 3.010 1.00 0.77 H new ATOM 0 HA ARG A 35 9.410 7.512 3.481 1.00 0.81 H new ATOM 0 HB2 ARG A 35 10.797 9.557 3.538 1.00 1.41 H new ATOM 0 HB3 ARG A 35 9.949 9.372 2.016 1.00 1.41 H new ATOM 0 HG2 ARG A 35 8.200 10.982 2.855 1.00 2.08 H new ATOM 0 HG3 ARG A 35 9.169 11.228 4.294 1.00 2.08 H new ATOM 0 HD2 ARG A 35 9.617 13.001 2.666 1.00 2.72 H new ATOM 0 HD3 ARG A 35 11.057 12.034 2.914 1.00 2.72 H new ATOM 0 HE ARG A 35 10.924 11.237 0.710 1.00 3.21 H new ATOM 0 HH11 ARG A 35 7.991 12.992 1.607 1.00 4.13 H new ATOM 0 HH12 ARG A 35 7.394 13.070 -0.054 1.00 4.13 H new ATOM 0 HH21 ARG A 35 10.149 11.346 -1.418 1.00 4.60 H new ATOM 0 HH22 ARG A 35 8.610 12.143 -1.758 1.00 4.60 H new ATOM 203 N SER A 36 9.250 7.605 5.932 1.00 0.55 N ATOM 204 CA SER A 36 9.221 7.643 7.386 1.00 0.74 C ATOM 205 C SER A 36 10.359 8.501 7.927 1.00 0.79 C ATOM 206 O SER A 36 11.421 7.993 8.287 1.00 1.07 O ATOM 207 CB SER A 36 9.298 6.225 7.964 1.00 0.84 C ATOM 208 OG SER A 36 8.004 5.740 8.264 1.00 1.50 O ATOM 0 H SER A 36 9.584 6.725 5.538 1.00 0.55 H new ATOM 0 HA SER A 36 8.277 8.092 7.695 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.785 5.561 7.250 1.00 0.84 H new ATOM 0 HB3 SER A 36 9.910 6.227 8.866 1.00 0.84 H new ATOM 0 HG SER A 36 8.028 5.244 9.109 1.00 1.50 H new ATOM 214 N ASN A 37 10.119 9.808 7.983 1.00 1.08 N ATOM 215 CA ASN A 37 11.106 10.759 8.481 1.00 1.18 C ATOM 216 C ASN A 37 12.422 10.651 7.709 1.00 1.17 C ATOM 217 O ASN A 37 12.633 11.364 6.727 1.00 1.97 O ATOM 218 CB ASN A 37 11.340 10.540 9.977 1.00 1.30 C ATOM 219 CG ASN A 37 10.091 10.801 10.794 1.00 1.89 C ATOM 220 OD1 ASN A 37 8.972 10.622 10.313 1.00 2.57 O ATOM 221 ND2 ASN A 37 10.274 11.222 12.038 1.00 2.42 N ATOM 0 H ASN A 37 9.241 10.235 7.687 1.00 1.08 H new ATOM 0 HA ASN A 37 10.715 11.765 8.328 1.00 1.18 H new ATOM 0 HB2 ASN A 37 11.675 9.516 10.145 1.00 1.30 H new ATOM 0 HB3 ASN A 37 12.140 11.197 10.318 1.00 1.30 H new ATOM 0 HD21 ASN A 37 9.470 11.411 12.636 1.00 2.42 H new ATOM 0 HD22 ASN A 37 11.219 11.357 12.397 1.00 2.42 H new ATOM 228 N LYS A 38 13.303 9.760 8.152 1.00 0.96 N ATOM 229 CA LYS A 38 14.592 9.565 7.498 1.00 0.85 C ATOM 230 C LYS A 38 14.637 8.235 6.751 1.00 0.75 C ATOM 231 O LYS A 38 15.514 8.013 5.917 1.00 1.11 O ATOM 232 CB LYS A 38 15.721 9.617 8.530 1.00 0.86 C ATOM 233 CG LYS A 38 15.770 10.919 9.313 1.00 1.05 C ATOM 234 CD LYS A 38 16.009 12.113 8.402 1.00 1.75 C ATOM 235 CE LYS A 38 15.736 13.424 9.122 1.00 2.20 C ATOM 236 NZ LYS A 38 14.316 13.531 9.554 1.00 2.60 N ATOM 0 H LYS A 38 13.147 9.161 8.963 1.00 0.96 H new ATOM 0 HA LYS A 38 14.725 10.369 6.774 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.603 8.788 9.227 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.674 9.473 8.021 1.00 0.86 H new ATOM 0 HG2 LYS A 38 14.833 11.055 9.853 1.00 1.05 H new ATOM 0 HG3 LYS A 38 16.563 10.866 10.059 1.00 1.05 H new ATOM 0 HD2 LYS A 38 17.039 12.100 8.045 1.00 1.75 H new ATOM 0 HD3 LYS A 38 15.367 12.037 7.525 1.00 1.75 H new ATOM 0 HE2 LYS A 38 16.388 13.504 9.992 1.00 2.20 H new ATOM 0 HE3 LYS A 38 15.980 14.258 8.464 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 14.065 14.533 9.676 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 13.700 13.105 8.832 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 14.189 13.030 10.456 1.00 2.60 H new ATOM 250 N HIS A 39 13.694 7.349 7.060 1.00 0.56 N ATOM 251 CA HIS A 39 13.634 6.042 6.422 1.00 0.60 C ATOM 252 C HIS A 39 12.435 5.966 5.487 1.00 0.52 C ATOM 253 O HIS A 39 11.307 6.187 5.904 1.00 0.67 O ATOM 254 CB HIS A 39 13.537 4.950 7.489 1.00 0.80 C ATOM 255 CG HIS A 39 14.361 5.234 8.709 1.00 1.26 C ATOM 256 ND1 HIS A 39 15.379 4.412 9.145 1.00 1.26 N ATOM 257 CD2 HIS A 39 14.309 6.263 9.587 1.00 1.99 C ATOM 258 CE1 HIS A 39 15.918 4.923 10.237 1.00 1.96 C ATOM 259 NE2 HIS A 39 15.287 6.045 10.525 1.00 2.40 N ATOM 0 H HIS A 39 12.961 7.515 7.750 1.00 0.56 H new ATOM 0 HA HIS A 39 14.542 5.892 5.837 1.00 0.60 H new ATOM 0 HB2 HIS A 39 12.494 4.832 7.783 1.00 0.80 H new ATOM 0 HB3 HIS A 39 13.856 4.001 7.057 1.00 0.80 H new ATOM 0 HD2 HIS A 39 13.626 7.099 9.555 1.00 1.99 H new ATOM 0 HE1 HIS A 39 16.736 4.495 10.798 1.00 1.96 H new ATOM 0 HE2 HIS A 39 15.493 6.653 11.318 1.00 2.40 H new ATOM 268 N ILE A 40 12.681 5.660 4.220 1.00 0.50 N ATOM 269 CA ILE A 40 11.602 5.570 3.244 1.00 0.51 C ATOM 270 C ILE A 40 10.731 4.339 3.491 1.00 0.46 C ATOM 271 O ILE A 40 11.205 3.204 3.417 1.00 0.68 O ATOM 272 CB ILE A 40 12.150 5.539 1.804 1.00 0.60 C ATOM 273 CG1 ILE A 40 11.020 5.336 0.791 1.00 1.21 C ATOM 274 CG2 ILE A 40 13.189 4.445 1.669 1.00 1.29 C ATOM 275 CD1 ILE A 40 9.832 6.242 1.016 1.00 2.23 C ATOM 0 H ILE A 40 13.611 5.471 3.845 1.00 0.50 H new ATOM 0 HA ILE A 40 10.988 6.462 3.365 1.00 0.51 H new ATOM 0 HB ILE A 40 12.619 6.500 1.593 1.00 0.60 H new ATOM 0 HG12 ILE A 40 11.409 5.505 -0.213 1.00 1.21 H new ATOM 0 HG13 ILE A 40 10.688 4.299 0.834 1.00 1.21 H new ATOM 0 HG21 ILE A 40 13.571 4.430 0.648 1.00 1.29 H new ATOM 0 HG22 ILE A 40 14.010 4.635 2.361 1.00 1.29 H new ATOM 0 HG23 ILE A 40 12.735 3.481 1.901 1.00 1.29 H new ATOM 0 HD11 ILE A 40 9.073 6.041 0.260 1.00 2.23 H new ATOM 0 HD12 ILE A 40 9.416 6.058 2.007 1.00 2.23 H new ATOM 0 HD13 ILE A 40 10.149 7.282 0.944 1.00 2.23 H new ATOM 287 N TYR A 41 9.459 4.575 3.804 1.00 0.36 N ATOM 288 CA TYR A 41 8.523 3.500 4.084 1.00 0.31 C ATOM 289 C TYR A 41 7.768 3.028 2.857 1.00 0.36 C ATOM 290 O TYR A 41 7.110 3.809 2.168 1.00 0.46 O ATOM 291 CB TYR A 41 7.507 3.949 5.113 1.00 0.31 C ATOM 292 CG TYR A 41 6.970 2.814 5.943 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.364 1.702 5.359 1.00 0.30 C ATOM 294 CD2 TYR A 41 7.086 2.849 7.317 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.893 0.666 6.138 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.618 1.824 8.100 1.00 0.57 C ATOM 297 CZ TYR A 41 6.020 0.731 7.510 1.00 0.53 C ATOM 298 OH TYR A 41 5.551 -0.301 8.291 1.00 0.63 O ATOM 0 H TYR A 41 9.055 5.509 3.869 1.00 0.36 H new ATOM 0 HA TYR A 41 9.124 2.669 4.453 1.00 0.31 H new ATOM 0 HB2 TYR A 41 7.966 4.687 5.771 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.679 4.445 4.606 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.262 1.652 4.285 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.555 3.701 7.786 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.427 -0.192 5.676 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.718 1.873 9.174 1.00 0.57 H new ATOM 0 HH TYR A 41 5.719 -0.099 9.235 1.00 0.63 H new ATOM 308 N ALA A 42 7.809 1.724 2.650 1.00 0.47 N ATOM 309 CA ALA A 42 7.070 1.095 1.577 1.00 0.60 C ATOM 310 C ALA A 42 5.888 0.382 2.207 1.00 0.48 C ATOM 311 O ALA A 42 6.034 -0.196 3.283 1.00 0.57 O ATOM 312 CB ALA A 42 7.950 0.117 0.809 1.00 0.92 C ATOM 0 H ALA A 42 8.354 1.076 3.219 1.00 0.47 H new ATOM 0 HA ALA A 42 6.729 1.840 0.858 1.00 0.60 H new ATOM 0 HB1 ALA A 42 7.371 -0.342 0.008 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.800 0.650 0.383 1.00 0.92 H new ATOM 0 HB3 ALA A 42 8.310 -0.657 1.486 1.00 0.92 H new ATOM 318 N GLN A 43 4.718 0.439 1.578 1.00 0.45 N ATOM 319 CA GLN A 43 3.545 -0.208 2.146 1.00 0.39 C ATOM 320 C GLN A 43 2.437 -0.366 1.109 1.00 0.40 C ATOM 321 O GLN A 43 1.711 0.582 0.834 1.00 0.51 O ATOM 322 CB GLN A 43 3.032 0.588 3.338 1.00 0.39 C ATOM 323 CG GLN A 43 1.804 -0.020 3.995 1.00 0.99 C ATOM 324 CD GLN A 43 1.357 0.749 5.223 1.00 1.33 C ATOM 325 OE1 GLN A 43 2.170 1.362 5.916 1.00 2.05 O ATOM 326 NE2 GLN A 43 0.058 0.721 5.498 1.00 1.85 N ATOM 0 H GLN A 43 4.560 0.918 0.691 1.00 0.45 H new ATOM 0 HA GLN A 43 3.841 -1.204 2.477 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.827 0.669 4.079 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.795 1.601 3.013 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.988 -0.050 3.273 1.00 0.99 H new ATOM 0 HG3 GLN A 43 2.020 -1.051 4.275 1.00 0.99 H new ATOM 0 HE21 GLN A 43 -0.580 0.200 4.896 1.00 1.85 H new ATOM 0 HE22 GLN A 43 -0.302 1.221 6.311 1.00 1.85 H new ATOM 335 N ILE A 44 2.298 -1.565 0.544 1.00 0.43 N ATOM 336 CA ILE A 44 1.258 -1.808 -0.455 1.00 0.45 C ATOM 337 C ILE A 44 -0.028 -2.280 0.205 1.00 0.48 C ATOM 338 O ILE A 44 -0.156 -3.452 0.573 1.00 0.60 O ATOM 339 CB ILE A 44 1.675 -2.855 -1.521 1.00 0.49 C ATOM 340 CG1 ILE A 44 3.187 -2.826 -1.772 1.00 0.65 C ATOM 341 CG2 ILE A 44 0.918 -2.611 -2.829 1.00 0.51 C ATOM 342 CD1 ILE A 44 3.685 -4.037 -2.530 1.00 0.86 C ATOM 0 H ILE A 44 2.883 -2.373 0.757 1.00 0.43 H new ATOM 0 HA ILE A 44 1.101 -0.853 -0.956 1.00 0.45 H new ATOM 0 HB ILE A 44 1.417 -3.842 -1.138 1.00 0.49 H new ATOM 0 HG12 ILE A 44 3.439 -1.925 -2.332 1.00 0.65 H new ATOM 0 HG13 ILE A 44 3.707 -2.764 -0.816 1.00 0.65 H new ATOM 0 HG21 ILE A 44 1.220 -3.353 -3.568 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -0.154 -2.693 -2.650 1.00 0.51 H new ATOM 0 HG23 ILE A 44 1.148 -1.613 -3.202 1.00 0.51 H new ATOM 0 HD11 ILE A 44 4.762 -3.957 -2.676 1.00 0.86 H new ATOM 0 HD12 ILE A 44 3.462 -4.940 -1.961 1.00 0.86 H new ATOM 0 HD13 ILE A 44 3.190 -4.088 -3.500 1.00 0.86 H new ATOM 354 N ILE A 45 -0.995 -1.375 0.329 1.00 0.52 N ATOM 355 CA ILE A 45 -2.276 -1.734 0.910 1.00 0.56 C ATOM 356 C ILE A 45 -3.300 -1.846 -0.208 1.00 0.54 C ATOM 357 O ILE A 45 -3.318 -1.030 -1.137 1.00 0.63 O ATOM 358 CB ILE A 45 -2.729 -0.754 2.015 1.00 0.69 C ATOM 359 CG1 ILE A 45 -4.147 -1.066 2.471 1.00 0.76 C ATOM 360 CG2 ILE A 45 -2.625 0.687 1.566 1.00 0.82 C ATOM 361 CD1 ILE A 45 -4.261 -2.345 3.269 1.00 1.19 C ATOM 0 H ILE A 45 -0.914 -0.401 0.038 1.00 0.52 H new ATOM 0 HA ILE A 45 -2.175 -2.697 1.411 1.00 0.56 H new ATOM 0 HB ILE A 45 -2.053 -0.888 2.860 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -4.516 -0.237 3.075 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -4.794 -1.135 1.596 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -2.953 1.344 2.372 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -1.590 0.915 1.311 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -3.257 0.842 0.692 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -5.300 -2.501 3.559 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -3.924 -3.184 2.661 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -3.642 -2.273 4.163 1.00 1.19 H new ATOM 373 N ASP A 46 -4.100 -2.901 -0.148 1.00 0.53 N ATOM 374 CA ASP A 46 -5.058 -3.200 -1.211 1.00 0.59 C ATOM 375 C ASP A 46 -5.837 -1.995 -1.685 1.00 0.59 C ATOM 376 O ASP A 46 -5.972 -0.994 -0.988 1.00 0.62 O ATOM 377 CB ASP A 46 -6.055 -4.262 -0.771 1.00 0.68 C ATOM 378 CG ASP A 46 -6.996 -3.771 0.316 1.00 0.66 C ATOM 379 OD1 ASP A 46 -6.507 -3.398 1.403 1.00 0.89 O ATOM 380 OD2 ASP A 46 -8.221 -3.754 0.076 1.00 0.74 O ATOM 0 H ASP A 46 -4.107 -3.567 0.625 1.00 0.53 H new ATOM 0 HA ASP A 46 -4.449 -3.559 -2.041 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -6.639 -4.585 -1.633 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.513 -5.135 -0.409 1.00 0.68 H new ATOM 385 N ASP A 47 -6.341 -2.135 -2.910 1.00 0.86 N ATOM 386 CA ASP A 47 -7.116 -1.102 -3.564 1.00 0.96 C ATOM 387 C ASP A 47 -8.450 -1.650 -4.066 1.00 1.01 C ATOM 388 O ASP A 47 -9.505 -1.364 -3.501 1.00 0.96 O ATOM 389 CB ASP A 47 -6.335 -0.514 -4.741 1.00 1.17 C ATOM 390 CG ASP A 47 -7.092 0.597 -5.441 1.00 1.66 C ATOM 391 OD1 ASP A 47 -8.066 0.292 -6.160 1.00 1.96 O ATOM 392 OD2 ASP A 47 -6.709 1.774 -5.271 1.00 2.45 O ATOM 0 H ASP A 47 -6.218 -2.976 -3.473 1.00 0.86 H new ATOM 0 HA ASP A 47 -7.312 -0.320 -2.830 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -5.380 -0.130 -4.384 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -6.112 -1.305 -5.457 1.00 1.17 H new ATOM 397 N THR A 48 -8.391 -2.422 -5.150 1.00 1.33 N ATOM 398 CA THR A 48 -9.588 -2.993 -5.757 1.00 1.52 C ATOM 399 C THR A 48 -9.841 -4.439 -5.330 1.00 1.57 C ATOM 400 O THR A 48 -10.935 -4.773 -4.875 1.00 1.64 O ATOM 401 CB THR A 48 -9.483 -2.926 -7.281 1.00 1.97 C ATOM 402 OG1 THR A 48 -8.492 -3.820 -7.754 1.00 2.28 O ATOM 403 CG2 THR A 48 -9.138 -1.546 -7.798 1.00 2.12 C ATOM 0 H THR A 48 -7.523 -2.666 -5.626 1.00 1.33 H new ATOM 0 HA THR A 48 -10.431 -2.398 -5.406 1.00 1.52 H new ATOM 0 HB THR A 48 -10.472 -3.198 -7.650 1.00 1.97 H new ATOM 0 HG1 THR A 48 -7.617 -3.554 -7.402 1.00 2.28 H new ATOM 0 HG21 THR A 48 -9.079 -1.569 -8.886 1.00 2.12 H new ATOM 0 HG22 THR A 48 -9.909 -0.839 -7.491 1.00 2.12 H new ATOM 0 HG23 THR A 48 -8.177 -1.234 -7.389 1.00 2.12 H new ATOM 411 N LYS A 49 -8.848 -5.306 -5.521 1.00 1.64 N ATOM 412 CA LYS A 49 -9.012 -6.720 -5.194 1.00 1.82 C ATOM 413 C LYS A 49 -8.286 -7.126 -3.912 1.00 2.06 C ATOM 414 O LYS A 49 -7.589 -8.140 -3.874 1.00 2.71 O ATOM 415 CB LYS A 49 -8.544 -7.587 -6.360 1.00 2.07 C ATOM 416 CG LYS A 49 -8.978 -9.040 -6.244 1.00 2.73 C ATOM 417 CD LYS A 49 -10.468 -9.156 -5.962 1.00 3.33 C ATOM 418 CE LYS A 49 -11.292 -8.426 -7.012 1.00 3.64 C ATOM 419 NZ LYS A 49 -12.751 -8.497 -6.724 1.00 4.26 N ATOM 0 H LYS A 49 -7.932 -5.058 -5.896 1.00 1.64 H new ATOM 0 HA LYS A 49 -10.076 -6.880 -5.017 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -8.933 -7.173 -7.290 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -7.457 -7.544 -6.422 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -8.739 -9.567 -7.168 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -8.417 -9.526 -5.446 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -10.754 -10.207 -5.939 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -10.686 -8.745 -4.976 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -10.981 -7.382 -7.055 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -11.095 -8.858 -7.993 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -13.276 -7.987 -7.463 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -13.054 -9.492 -6.708 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -12.944 -8.061 -5.800 1.00 4.26 H new ATOM 433 N SER A 50 -8.498 -6.355 -2.859 1.00 1.82 N ATOM 434 CA SER A 50 -7.918 -6.641 -1.549 1.00 2.14 C ATOM 435 C SER A 50 -6.439 -7.039 -1.596 1.00 1.89 C ATOM 436 O SER A 50 -5.977 -7.770 -0.719 1.00 2.60 O ATOM 437 CB SER A 50 -8.714 -7.760 -0.881 1.00 2.65 C ATOM 438 OG SER A 50 -8.145 -8.115 0.369 1.00 3.31 O ATOM 0 H SER A 50 -9.075 -5.514 -2.883 1.00 1.82 H new ATOM 0 HA SER A 50 -7.973 -5.714 -0.979 1.00 2.14 H new ATOM 0 HB2 SER A 50 -9.746 -7.440 -0.737 1.00 2.65 H new ATOM 0 HB3 SER A 50 -8.739 -8.633 -1.534 1.00 2.65 H new ATOM 0 HG SER A 50 -7.206 -8.364 0.242 1.00 3.31 H new ATOM 444 N ALA A 51 -5.685 -6.551 -2.574 1.00 1.33 N ATOM 445 CA ALA A 51 -4.261 -6.881 -2.632 1.00 1.15 C ATOM 446 C ALA A 51 -3.521 -6.136 -1.537 1.00 1.13 C ATOM 447 O ALA A 51 -2.755 -5.208 -1.801 1.00 1.56 O ATOM 448 CB ALA A 51 -3.665 -6.568 -3.997 1.00 1.20 C ATOM 0 H ALA A 51 -6.021 -5.942 -3.320 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.152 -7.954 -2.474 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -2.606 -6.827 -4.000 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.182 -7.148 -4.761 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -3.779 -5.505 -4.209 1.00 1.20 H new ATOM 454 N THR A 52 -3.776 -6.541 -0.298 1.00 1.05 N ATOM 455 CA THR A 52 -3.161 -5.911 0.855 1.00 1.07 C ATOM 456 C THR A 52 -2.116 -6.815 1.484 1.00 0.91 C ATOM 457 O THR A 52 -2.432 -7.612 2.360 1.00 1.28 O ATOM 458 CB THR A 52 -4.229 -5.577 1.897 1.00 1.64 C ATOM 459 OG1 THR A 52 -3.653 -4.935 3.019 1.00 2.30 O ATOM 460 CG2 THR A 52 -4.973 -6.797 2.398 1.00 2.34 C ATOM 0 H THR A 52 -4.409 -7.308 -0.070 1.00 1.05 H new ATOM 0 HA THR A 52 -2.672 -4.998 0.516 1.00 1.07 H new ATOM 0 HB THR A 52 -4.935 -4.921 1.388 1.00 1.64 H new ATOM 0 HG1 THR A 52 -2.756 -4.616 2.788 1.00 2.30 H new ATOM 0 HG21 THR A 52 -5.717 -6.493 3.135 1.00 2.34 H new ATOM 0 HG22 THR A 52 -5.470 -7.289 1.562 1.00 2.34 H new ATOM 0 HG23 THR A 52 -4.268 -7.489 2.859 1.00 2.34 H new ATOM 468 N ILE A 53 -0.872 -6.679 1.050 1.00 1.13 N ATOM 469 CA ILE A 53 0.206 -7.487 1.598 1.00 1.60 C ATOM 470 C ILE A 53 1.206 -6.622 2.359 1.00 1.49 C ATOM 471 O ILE A 53 2.322 -7.057 2.642 1.00 2.03 O ATOM 472 CB ILE A 53 0.943 -8.272 0.498 1.00 2.38 C ATOM 473 CG1 ILE A 53 -0.057 -8.795 -0.532 1.00 2.64 C ATOM 474 CG2 ILE A 53 1.732 -9.421 1.107 1.00 3.14 C ATOM 475 CD1 ILE A 53 -1.099 -9.725 0.054 1.00 2.95 C ATOM 0 H ILE A 53 -0.585 -6.021 0.325 1.00 1.13 H new ATOM 0 HA ILE A 53 -0.251 -8.198 2.286 1.00 1.60 H new ATOM 0 HB ILE A 53 1.642 -7.603 -0.004 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -0.559 -7.949 -1.001 1.00 2.64 H new ATOM 0 HG13 ILE A 53 0.485 -9.320 -1.319 1.00 2.64 H new ATOM 0 HG21 ILE A 53 2.248 -9.967 0.317 1.00 3.14 H new ATOM 0 HG22 ILE A 53 2.463 -9.027 1.813 1.00 3.14 H new ATOM 0 HG23 ILE A 53 1.051 -10.094 1.628 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -1.775 -10.057 -0.734 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -0.606 -10.590 0.498 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -1.667 -9.198 0.821 1.00 2.95 H new ATOM 487 N VAL A 54 0.799 -5.391 2.681 1.00 0.90 N ATOM 488 CA VAL A 54 1.651 -4.459 3.407 1.00 0.93 C ATOM 489 C VAL A 54 3.035 -4.380 2.759 1.00 0.65 C ATOM 490 O VAL A 54 3.148 -4.506 1.542 1.00 0.59 O ATOM 491 CB VAL A 54 1.752 -4.839 4.905 1.00 1.31 C ATOM 492 CG1 VAL A 54 0.363 -4.994 5.503 1.00 1.86 C ATOM 493 CG2 VAL A 54 2.564 -6.112 5.104 1.00 2.03 C ATOM 0 H VAL A 54 -0.122 -5.020 2.446 1.00 0.90 H new ATOM 0 HA VAL A 54 1.195 -3.471 3.353 1.00 0.93 H new ATOM 0 HB VAL A 54 2.272 -4.032 5.422 1.00 1.31 H new ATOM 0 HG11 VAL A 54 0.448 -5.261 6.556 1.00 1.86 H new ATOM 0 HG12 VAL A 54 -0.180 -4.054 5.410 1.00 1.86 H new ATOM 0 HG13 VAL A 54 -0.176 -5.779 4.972 1.00 1.86 H new ATOM 0 HG21 VAL A 54 2.614 -6.349 6.167 1.00 2.03 H new ATOM 0 HG22 VAL A 54 2.087 -6.935 4.571 1.00 2.03 H new ATOM 0 HG23 VAL A 54 3.572 -5.965 4.717 1.00 2.03 H new ATOM 503 N SER A 55 4.082 -4.159 3.552 1.00 0.71 N ATOM 504 CA SER A 55 5.428 -4.061 3.010 1.00 0.61 C ATOM 505 C SER A 55 6.453 -3.948 4.137 1.00 0.71 C ATOM 506 O SER A 55 6.448 -4.767 5.056 1.00 0.96 O ATOM 507 CB SER A 55 5.509 -2.880 2.055 1.00 0.64 C ATOM 508 OG SER A 55 6.638 -2.974 1.209 1.00 1.38 O ATOM 0 H SER A 55 4.021 -4.046 4.564 1.00 0.71 H new ATOM 0 HA SER A 55 5.661 -4.968 2.451 1.00 0.61 H new ATOM 0 HB2 SER A 55 4.603 -2.837 1.451 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.557 -1.952 2.625 1.00 0.64 H new ATOM 0 HG SER A 55 6.577 -2.295 0.505 1.00 1.38 H new ATOM 514 N ALA A 56 7.341 -2.956 4.079 1.00 0.63 N ATOM 515 CA ALA A 56 8.345 -2.815 5.122 1.00 0.77 C ATOM 516 C ALA A 56 9.132 -1.510 5.055 1.00 0.58 C ATOM 517 O ALA A 56 9.262 -0.875 4.006 1.00 0.59 O ATOM 518 CB ALA A 56 9.311 -3.983 5.060 1.00 1.17 C ATOM 0 H ALA A 56 7.384 -2.256 3.338 1.00 0.63 H new ATOM 0 HA ALA A 56 7.800 -2.802 6.066 1.00 0.77 H new ATOM 0 HB1 ALA A 56 10.062 -3.876 5.842 1.00 1.17 H new ATOM 0 HB2 ALA A 56 8.765 -4.915 5.207 1.00 1.17 H new ATOM 0 HB3 ALA A 56 9.801 -3.999 4.086 1.00 1.17 H new ATOM 524 N SER A 57 9.676 -1.158 6.213 1.00 0.52 N ATOM 525 CA SER A 57 10.503 0.018 6.403 1.00 0.47 C ATOM 526 C SER A 57 11.351 -0.195 7.649 1.00 0.59 C ATOM 527 O SER A 57 11.292 -1.257 8.256 1.00 0.87 O ATOM 528 CB SER A 57 9.655 1.260 6.593 1.00 0.51 C ATOM 529 OG SER A 57 9.201 1.339 7.937 1.00 1.46 O ATOM 0 H SER A 57 9.548 -1.700 7.067 1.00 0.52 H new ATOM 0 HA SER A 57 11.125 0.161 5.520 1.00 0.47 H new ATOM 0 HB2 SER A 57 10.236 2.148 6.344 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.803 1.236 5.914 1.00 0.51 H new ATOM 0 HG SER A 57 8.319 1.765 7.960 1.00 1.46 H new ATOM 535 N THR A 58 12.116 0.816 8.046 1.00 0.75 N ATOM 536 CA THR A 58 12.954 0.708 9.240 1.00 0.94 C ATOM 537 C THR A 58 12.188 0.066 10.399 1.00 1.00 C ATOM 538 O THR A 58 12.749 -0.704 11.178 1.00 1.41 O ATOM 539 CB THR A 58 13.452 2.090 9.662 1.00 1.24 C ATOM 540 OG1 THR A 58 14.406 1.985 10.703 1.00 1.39 O ATOM 541 CG2 THR A 58 12.339 2.989 10.153 1.00 1.99 C ATOM 0 H THR A 58 12.175 1.713 7.565 1.00 0.75 H new ATOM 0 HA THR A 58 13.804 0.073 8.993 1.00 0.94 H new ATOM 0 HB THR A 58 13.895 2.528 8.768 1.00 1.24 H new ATOM 0 HG1 THR A 58 14.476 2.843 11.170 1.00 1.39 H new ATOM 0 HG21 THR A 58 12.752 3.956 10.439 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.606 3.128 9.358 1.00 1.99 H new ATOM 0 HG23 THR A 58 11.856 2.531 11.016 1.00 1.99 H new ATOM 549 N LEU A 59 10.903 0.391 10.501 1.00 1.17 N ATOM 550 CA LEU A 59 10.054 -0.150 11.557 1.00 1.34 C ATOM 551 C LEU A 59 9.901 -1.662 11.421 1.00 1.38 C ATOM 552 O LEU A 59 9.693 -2.369 12.408 1.00 1.80 O ATOM 553 CB LEU A 59 8.669 0.501 11.512 1.00 1.71 C ATOM 554 CG LEU A 59 8.616 1.974 11.925 1.00 1.41 C ATOM 555 CD1 LEU A 59 8.968 2.872 10.750 1.00 1.74 C ATOM 556 CD2 LEU A 59 7.238 2.322 12.471 1.00 1.87 C ATOM 0 H LEU A 59 10.426 1.028 9.863 1.00 1.17 H new ATOM 0 HA LEU A 59 10.533 0.071 12.511 1.00 1.34 H new ATOM 0 HB2 LEU A 59 8.279 0.412 10.498 1.00 1.71 H new ATOM 0 HB3 LEU A 59 8.001 -0.064 12.162 1.00 1.71 H new ATOM 0 HG LEU A 59 9.351 2.139 12.712 1.00 1.41 H new ATOM 0 HD11 LEU A 59 8.925 3.915 11.063 1.00 1.74 H new ATOM 0 HD12 LEU A 59 9.975 2.639 10.403 1.00 1.74 H new ATOM 0 HD13 LEU A 59 8.257 2.707 9.940 1.00 1.74 H new ATOM 0 HD21 LEU A 59 7.216 3.373 12.760 1.00 1.87 H new ATOM 0 HD22 LEU A 59 6.486 2.141 11.703 1.00 1.87 H new ATOM 0 HD23 LEU A 59 7.024 1.701 13.341 1.00 1.87 H new ATOM 568 N ASP A 60 9.990 -2.147 10.188 1.00 1.26 N ATOM 569 CA ASP A 60 9.845 -3.570 9.901 1.00 1.54 C ATOM 570 C ASP A 60 10.611 -4.437 10.890 1.00 1.37 C ATOM 571 O ASP A 60 11.517 -3.979 11.586 1.00 1.36 O ATOM 572 CB ASP A 60 10.295 -3.881 8.467 1.00 2.10 C ATOM 573 CG ASP A 60 10.398 -5.367 8.172 1.00 2.87 C ATOM 574 OD1 ASP A 60 9.355 -5.989 7.884 1.00 3.17 O ATOM 575 OD2 ASP A 60 11.523 -5.907 8.231 1.00 3.56 O ATOM 0 H ASP A 60 10.163 -1.571 9.365 1.00 1.26 H new ATOM 0 HA ASP A 60 8.787 -3.810 10.005 1.00 1.54 H new ATOM 0 HB2 ASP A 60 9.592 -3.428 7.768 1.00 2.10 H new ATOM 0 HB3 ASP A 60 11.265 -3.416 8.290 1.00 2.10 H new ATOM 580 N LYS A 61 10.222 -5.700 10.923 1.00 1.65 N ATOM 581 CA LYS A 61 10.842 -6.686 11.799 1.00 1.85 C ATOM 582 C LYS A 61 12.052 -7.327 11.127 1.00 1.82 C ATOM 583 O LYS A 61 13.131 -7.409 11.712 1.00 1.93 O ATOM 584 CB LYS A 61 9.825 -7.765 12.177 1.00 2.35 C ATOM 585 CG LYS A 61 10.417 -8.905 12.989 1.00 2.39 C ATOM 586 CD LYS A 61 9.399 -10.010 13.217 1.00 2.98 C ATOM 587 CE LYS A 61 8.212 -9.514 14.028 1.00 3.67 C ATOM 588 NZ LYS A 61 7.174 -10.568 14.197 1.00 4.11 N ATOM 0 H LYS A 61 9.469 -6.073 10.345 1.00 1.65 H new ATOM 0 HA LYS A 61 11.179 -6.176 12.702 1.00 1.85 H new ATOM 0 HB2 LYS A 61 9.017 -7.306 12.747 1.00 2.35 H new ATOM 0 HB3 LYS A 61 9.383 -8.170 11.267 1.00 2.35 H new ATOM 0 HG2 LYS A 61 11.286 -9.310 12.471 1.00 2.39 H new ATOM 0 HG3 LYS A 61 10.767 -8.526 13.949 1.00 2.39 H new ATOM 0 HD2 LYS A 61 9.052 -10.390 12.256 1.00 2.98 H new ATOM 0 HD3 LYS A 61 9.874 -10.842 13.736 1.00 2.98 H new ATOM 0 HE2 LYS A 61 8.555 -9.183 15.008 1.00 3.67 H new ATOM 0 HE3 LYS A 61 7.772 -8.647 13.534 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 6.382 -10.189 14.755 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 6.827 -10.867 13.263 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 7.586 -11.385 14.691 1.00 4.11 H new ATOM 602 N GLU A 62 11.858 -7.785 9.892 1.00 1.86 N ATOM 603 CA GLU A 62 12.927 -8.426 9.134 1.00 1.95 C ATOM 604 C GLU A 62 14.162 -7.535 9.079 1.00 1.79 C ATOM 605 O GLU A 62 15.293 -8.022 9.062 1.00 1.95 O ATOM 606 CB GLU A 62 12.451 -8.750 7.715 1.00 2.09 C ATOM 607 CG GLU A 62 13.494 -9.465 6.871 1.00 2.41 C ATOM 608 CD GLU A 62 13.952 -10.769 7.494 1.00 3.00 C ATOM 609 OE1 GLU A 62 13.249 -11.787 7.324 1.00 3.14 O ATOM 610 OE2 GLU A 62 15.013 -10.773 8.154 1.00 3.80 O ATOM 0 H GLU A 62 10.969 -7.723 9.396 1.00 1.86 H new ATOM 0 HA GLU A 62 13.193 -9.354 9.640 1.00 1.95 H new ATOM 0 HB2 GLU A 62 11.556 -9.370 7.774 1.00 2.09 H new ATOM 0 HB3 GLU A 62 12.165 -7.824 7.216 1.00 2.09 H new ATOM 0 HG2 GLU A 62 13.082 -9.664 5.882 1.00 2.41 H new ATOM 0 HG3 GLU A 62 14.355 -8.811 6.732 1.00 2.41 H new ATOM 617 N PHE A 63 13.936 -6.229 9.055 1.00 1.55 N ATOM 618 CA PHE A 63 15.025 -5.261 9.005 1.00 1.41 C ATOM 619 C PHE A 63 15.758 -5.213 10.337 1.00 1.54 C ATOM 620 O PHE A 63 16.975 -5.387 10.398 1.00 1.79 O ATOM 621 CB PHE A 63 14.475 -3.876 8.664 1.00 1.10 C ATOM 622 CG PHE A 63 13.752 -3.804 7.344 1.00 0.91 C ATOM 623 CD1 PHE A 63 13.681 -4.920 6.532 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.151 -2.629 6.914 1.00 0.72 C ATOM 625 CE1 PHE A 63 13.027 -4.871 5.314 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.496 -2.573 5.700 1.00 0.88 C ATOM 627 CZ PHE A 63 12.399 -3.649 4.920 1.00 1.02 C ATOM 0 H PHE A 63 13.005 -5.813 9.069 1.00 1.55 H new ATOM 0 HA PHE A 63 15.729 -5.569 8.232 1.00 1.41 H new ATOM 0 HB2 PHE A 63 13.794 -3.563 9.456 1.00 1.10 H new ATOM 0 HB3 PHE A 63 15.299 -3.163 8.653 1.00 1.10 H new ATOM 0 HD1 PHE A 63 14.142 -5.842 6.853 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.196 -1.748 7.537 1.00 0.72 H new ATOM 0 HE1 PHE A 63 12.992 -5.740 4.673 1.00 1.22 H new ATOM 0 HE2 PHE A 63 12.055 -1.642 5.377 1.00 0.88 H new ATOM 0 HZ PHE A 63 11.847 -3.598 3.993 1.00 1.02 H new ATOM 637 N GLY A 64 15.004 -4.979 11.401 1.00 1.52 N ATOM 638 CA GLY A 64 15.586 -4.913 12.723 1.00 1.73 C ATOM 639 C GLY A 64 15.172 -3.664 13.475 1.00 1.66 C ATOM 640 O GLY A 64 13.990 -3.457 13.745 1.00 2.32 O ATOM 0 H GLY A 64 13.995 -4.833 11.370 1.00 1.52 H new ATOM 0 HA2 GLY A 64 15.287 -5.793 13.293 1.00 1.73 H new ATOM 0 HA3 GLY A 64 16.673 -4.941 12.640 1.00 1.73 H new ATOM 644 N LEU A 65 16.147 -2.827 13.810 1.00 1.73 N ATOM 645 CA LEU A 65 15.874 -1.589 14.530 1.00 2.08 C ATOM 646 C LEU A 65 15.963 -0.388 13.594 1.00 2.04 C ATOM 647 O LEU A 65 15.127 0.512 13.645 1.00 2.62 O ATOM 648 CB LEU A 65 16.855 -1.420 15.692 1.00 2.62 C ATOM 649 CG LEU A 65 16.803 -2.525 16.748 1.00 2.98 C ATOM 650 CD1 LEU A 65 17.243 -3.853 16.155 1.00 3.23 C ATOM 651 CD2 LEU A 65 17.668 -2.158 17.946 1.00 3.51 C ATOM 0 H LEU A 65 17.132 -2.983 13.595 1.00 1.73 H new ATOM 0 HA LEU A 65 14.861 -1.645 14.928 1.00 2.08 H new ATOM 0 HB2 LEU A 65 17.867 -1.370 15.289 1.00 2.62 H new ATOM 0 HB3 LEU A 65 16.658 -0.464 16.178 1.00 2.62 H new ATOM 0 HG LEU A 65 15.772 -2.629 17.088 1.00 2.98 H new ATOM 0 HD11 LEU A 65 17.199 -4.626 16.922 1.00 3.23 H new ATOM 0 HD12 LEU A 65 16.581 -4.121 15.331 1.00 3.23 H new ATOM 0 HD13 LEU A 65 18.265 -3.766 15.786 1.00 3.23 H new ATOM 0 HD21 LEU A 65 17.619 -2.955 18.688 1.00 3.51 H new ATOM 0 HD22 LEU A 65 18.700 -2.026 17.622 1.00 3.51 H new ATOM 0 HD23 LEU A 65 17.304 -1.230 18.387 1.00 3.51 H new ATOM 663 N ASP A 66 16.982 -0.386 12.740 1.00 1.94 N ATOM 664 CA ASP A 66 17.181 0.703 11.792 1.00 2.04 C ATOM 665 C ASP A 66 18.055 0.260 10.622 1.00 1.41 C ATOM 666 O ASP A 66 19.251 0.552 10.586 1.00 1.89 O ATOM 667 CB ASP A 66 17.825 1.903 12.490 1.00 2.97 C ATOM 668 CG ASP A 66 16.966 2.453 13.613 1.00 4.03 C ATOM 669 OD1 ASP A 66 17.050 1.918 14.739 1.00 4.42 O ATOM 670 OD2 ASP A 66 16.211 3.416 13.367 1.00 4.70 O ATOM 0 H ASP A 66 17.682 -1.126 12.686 1.00 1.94 H new ATOM 0 HA ASP A 66 16.204 0.992 11.405 1.00 2.04 H new ATOM 0 HB2 ASP A 66 18.795 1.609 12.890 1.00 2.97 H new ATOM 0 HB3 ASP A 66 18.008 2.690 11.758 1.00 2.97 H new ATOM 675 N SER A 67 17.456 -0.446 9.668 1.00 1.46 N ATOM 676 CA SER A 67 18.192 -0.922 8.502 1.00 2.04 C ATOM 677 C SER A 67 17.702 -0.250 7.225 1.00 2.10 C ATOM 678 O SER A 67 18.478 -0.022 6.297 1.00 2.64 O ATOM 679 CB SER A 67 18.074 -2.442 8.373 1.00 2.55 C ATOM 680 OG SER A 67 18.967 -2.940 7.393 1.00 2.95 O ATOM 0 H SER A 67 16.468 -0.700 9.679 1.00 1.46 H new ATOM 0 HA SER A 67 19.240 -0.660 8.645 1.00 2.04 H new ATOM 0 HB2 SER A 67 18.286 -2.910 9.334 1.00 2.55 H new ATOM 0 HB3 SER A 67 17.051 -2.710 8.107 1.00 2.55 H new ATOM 0 HG SER A 67 18.874 -3.914 7.330 1.00 2.95 H new ATOM 686 N THR A 68 16.413 0.071 7.182 1.00 1.67 N ATOM 687 CA THR A 68 15.835 0.723 6.012 1.00 1.78 C ATOM 688 C THR A 68 16.639 1.962 5.638 1.00 1.59 C ATOM 689 O THR A 68 17.555 1.887 4.818 1.00 2.23 O ATOM 690 CB THR A 68 14.365 1.079 6.258 1.00 2.14 C ATOM 691 OG1 THR A 68 13.578 -0.091 6.216 1.00 2.77 O ATOM 692 CG2 THR A 68 13.780 2.044 5.243 1.00 2.70 C ATOM 0 H THR A 68 15.752 -0.108 7.938 1.00 1.67 H new ATOM 0 HA THR A 68 15.876 0.025 5.176 1.00 1.78 H new ATOM 0 HB THR A 68 14.347 1.563 7.234 1.00 2.14 H new ATOM 0 HG1 THR A 68 14.151 -0.875 6.347 1.00 2.77 H new ATOM 0 HG21 THR A 68 12.737 2.243 5.489 1.00 2.70 H new ATOM 0 HG22 THR A 68 14.342 2.978 5.262 1.00 2.70 H new ATOM 0 HG23 THR A 68 13.840 1.605 4.247 1.00 2.70 H new ATOM 700 N ASN A 69 16.287 3.108 6.235 1.00 1.07 N ATOM 701 CA ASN A 69 16.967 4.377 5.953 1.00 1.18 C ATOM 702 C ASN A 69 17.252 4.495 4.463 1.00 1.14 C ATOM 703 O ASN A 69 18.275 5.035 4.041 1.00 2.00 O ATOM 704 CB ASN A 69 18.270 4.481 6.745 1.00 1.57 C ATOM 705 CG ASN A 69 19.219 3.337 6.447 1.00 1.96 C ATOM 706 OD1 ASN A 69 20.049 3.423 5.543 1.00 2.86 O ATOM 707 ND2 ASN A 69 19.100 2.255 7.209 1.00 1.89 N ATOM 0 H ASN A 69 15.533 3.181 6.918 1.00 1.07 H new ATOM 0 HA ASN A 69 16.313 5.194 6.258 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.760 5.426 6.511 1.00 1.57 H new ATOM 0 HB3 ASN A 69 18.044 4.494 7.811 1.00 1.57 H new ATOM 0 HD21 ASN A 69 19.711 1.453 7.055 1.00 1.89 H new ATOM 0 HD22 ASN A 69 18.398 2.226 7.948 1.00 1.89 H new ATOM 714 N ASN A 70 16.330 3.943 3.685 1.00 1.04 N ATOM 715 CA ASN A 70 16.421 3.910 2.228 1.00 1.32 C ATOM 716 C ASN A 70 15.563 2.764 1.721 1.00 1.16 C ATOM 717 O ASN A 70 15.298 1.813 2.455 1.00 1.05 O ATOM 718 CB ASN A 70 17.867 3.723 1.751 1.00 1.70 C ATOM 719 CG ASN A 70 18.463 5.001 1.190 1.00 1.67 C ATOM 720 OD1 ASN A 70 19.142 5.747 1.896 1.00 2.23 O ATOM 721 ND2 ASN A 70 18.203 5.261 -0.087 1.00 1.52 N ATOM 0 H ASN A 70 15.487 3.500 4.051 1.00 1.04 H new ATOM 0 HA ASN A 70 16.069 4.863 1.834 1.00 1.32 H new ATOM 0 HB2 ASN A 70 18.479 3.375 2.583 1.00 1.70 H new ATOM 0 HB3 ASN A 70 17.897 2.946 0.987 1.00 1.70 H new ATOM 0 HD21 ASN A 70 18.571 6.108 -0.520 1.00 1.52 H new ATOM 0 HD22 ASN A 70 17.635 4.614 -0.634 1.00 1.52 H new ATOM 728 N ILE A 71 15.096 2.863 0.489 1.00 1.26 N ATOM 729 CA ILE A 71 14.234 1.832 -0.054 1.00 1.24 C ATOM 730 C ILE A 71 14.915 0.467 -0.124 1.00 1.02 C ATOM 731 O ILE A 71 14.245 -0.547 -0.272 1.00 0.95 O ATOM 732 CB ILE A 71 13.665 2.228 -1.432 1.00 1.56 C ATOM 733 CG1 ILE A 71 12.325 1.524 -1.656 1.00 1.60 C ATOM 734 CG2 ILE A 71 14.645 1.908 -2.562 1.00 2.25 C ATOM 735 CD1 ILE A 71 11.240 1.960 -0.694 1.00 1.84 C ATOM 0 H ILE A 71 15.296 3.636 -0.146 1.00 1.26 H new ATOM 0 HA ILE A 71 13.402 1.740 0.645 1.00 1.24 H new ATOM 0 HB ILE A 71 13.509 3.307 -1.442 1.00 1.56 H new ATOM 0 HG12 ILE A 71 11.991 1.713 -2.676 1.00 1.60 H new ATOM 0 HG13 ILE A 71 12.470 0.448 -1.563 1.00 1.60 H new ATOM 0 HG21 ILE A 71 14.208 2.201 -3.517 1.00 2.25 H new ATOM 0 HG22 ILE A 71 15.574 2.456 -2.404 1.00 2.25 H new ATOM 0 HG23 ILE A 71 14.852 0.838 -2.572 1.00 2.25 H new ATOM 0 HD11 ILE A 71 10.320 1.419 -0.914 1.00 1.84 H new ATOM 0 HD12 ILE A 71 11.552 1.745 0.328 1.00 1.84 H new ATOM 0 HD13 ILE A 71 11.066 3.030 -0.803 1.00 1.84 H new ATOM 747 N GLU A 72 16.241 0.441 -0.039 1.00 1.00 N ATOM 748 CA GLU A 72 16.986 -0.819 -0.117 1.00 0.97 C ATOM 749 C GLU A 72 16.309 -1.923 0.704 1.00 0.79 C ATOM 750 O GLU A 72 15.949 -2.974 0.171 1.00 0.78 O ATOM 751 CB GLU A 72 18.422 -0.614 0.368 1.00 1.11 C ATOM 752 CG GLU A 72 19.276 -1.870 0.294 1.00 1.49 C ATOM 753 CD GLU A 72 19.375 -2.425 -1.114 1.00 1.95 C ATOM 754 OE1 GLU A 72 20.172 -1.885 -1.910 1.00 2.49 O ATOM 755 OE2 GLU A 72 18.658 -3.401 -1.420 1.00 2.41 O ATOM 0 H GLU A 72 16.822 1.270 0.083 1.00 1.00 H new ATOM 0 HA GLU A 72 16.999 -1.134 -1.160 1.00 0.97 H new ATOM 0 HB2 GLU A 72 18.890 0.169 -0.229 1.00 1.11 H new ATOM 0 HB3 GLU A 72 18.401 -0.259 1.398 1.00 1.11 H new ATOM 0 HG2 GLU A 72 20.277 -1.647 0.664 1.00 1.49 H new ATOM 0 HG3 GLU A 72 18.855 -2.631 0.952 1.00 1.49 H new ATOM 762 N ALA A 73 16.119 -1.676 1.993 1.00 0.70 N ATOM 763 CA ALA A 73 15.471 -2.652 2.859 1.00 0.60 C ATOM 764 C ALA A 73 14.008 -2.833 2.463 1.00 0.54 C ATOM 765 O ALA A 73 13.507 -3.956 2.382 1.00 0.56 O ATOM 766 CB ALA A 73 15.583 -2.227 4.313 1.00 0.66 C ATOM 0 H ALA A 73 16.402 -0.814 2.460 1.00 0.70 H new ATOM 0 HA ALA A 73 15.978 -3.610 2.740 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.094 -2.967 4.947 1.00 0.66 H new ATOM 0 HB2 ALA A 73 16.635 -2.150 4.590 1.00 0.66 H new ATOM 0 HB3 ALA A 73 15.101 -1.259 4.447 1.00 0.66 H new ATOM 772 N ALA A 74 13.325 -1.722 2.207 1.00 0.56 N ATOM 773 CA ALA A 74 11.926 -1.771 1.811 1.00 0.65 C ATOM 774 C ALA A 74 11.758 -2.493 0.482 1.00 0.63 C ATOM 775 O ALA A 74 10.676 -2.975 0.168 1.00 0.73 O ATOM 776 CB ALA A 74 11.338 -0.376 1.731 1.00 0.77 C ATOM 0 H ALA A 74 13.717 -0.782 2.267 1.00 0.56 H new ATOM 0 HA ALA A 74 11.385 -2.331 2.574 1.00 0.65 H new ATOM 0 HB1 ALA A 74 10.291 -0.439 1.433 1.00 0.77 H new ATOM 0 HB2 ALA A 74 11.409 0.105 2.706 1.00 0.77 H new ATOM 0 HB3 ALA A 74 11.890 0.210 0.996 1.00 0.77 H new ATOM 782 N LYS A 75 12.834 -2.579 -0.294 1.00 0.60 N ATOM 783 CA LYS A 75 12.782 -3.267 -1.573 1.00 0.69 C ATOM 784 C LYS A 75 12.746 -4.765 -1.302 1.00 0.68 C ATOM 785 O LYS A 75 12.051 -5.522 -1.979 1.00 0.81 O ATOM 786 CB LYS A 75 13.976 -2.856 -2.467 1.00 0.81 C ATOM 787 CG LYS A 75 15.127 -3.856 -2.538 1.00 1.26 C ATOM 788 CD LYS A 75 16.355 -3.246 -3.197 1.00 1.49 C ATOM 789 CE LYS A 75 16.060 -2.791 -4.619 1.00 1.90 C ATOM 790 NZ LYS A 75 15.765 -3.937 -5.524 1.00 2.16 N ATOM 0 H LYS A 75 13.744 -2.183 -0.059 1.00 0.60 H new ATOM 0 HA LYS A 75 11.884 -2.987 -2.123 1.00 0.69 H new ATOM 0 HB2 LYS A 75 13.606 -2.684 -3.478 1.00 0.81 H new ATOM 0 HB3 LYS A 75 14.367 -1.905 -2.104 1.00 0.81 H new ATOM 0 HG2 LYS A 75 15.381 -4.192 -1.533 1.00 1.26 H new ATOM 0 HG3 LYS A 75 14.812 -4.736 -3.098 1.00 1.26 H new ATOM 0 HD2 LYS A 75 16.701 -2.397 -2.607 1.00 1.49 H new ATOM 0 HD3 LYS A 75 17.163 -3.977 -3.209 1.00 1.49 H new ATOM 0 HE2 LYS A 75 15.211 -2.107 -4.612 1.00 1.90 H new ATOM 0 HE3 LYS A 75 16.914 -2.235 -5.006 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 15.654 -3.590 -6.498 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 16.549 -4.619 -5.487 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 14.886 -4.402 -5.220 1.00 2.16 H new ATOM 804 N LYS A 76 13.479 -5.171 -0.270 1.00 0.60 N ATOM 805 CA LYS A 76 13.513 -6.567 0.139 1.00 0.66 C ATOM 806 C LYS A 76 12.090 -7.066 0.358 1.00 0.60 C ATOM 807 O LYS A 76 11.635 -8.011 -0.291 1.00 0.68 O ATOM 808 CB LYS A 76 14.311 -6.720 1.438 1.00 0.73 C ATOM 809 CG LYS A 76 14.332 -8.138 1.978 1.00 0.96 C ATOM 810 CD LYS A 76 14.629 -8.159 3.471 1.00 1.23 C ATOM 811 CE LYS A 76 14.917 -9.569 3.958 1.00 2.08 C ATOM 812 NZ LYS A 76 16.068 -10.181 3.238 1.00 2.52 N ATOM 0 H LYS A 76 14.057 -4.551 0.297 1.00 0.60 H new ATOM 0 HA LYS A 76 13.994 -7.153 -0.644 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.336 -6.391 1.265 1.00 0.73 H new ATOM 0 HB3 LYS A 76 13.887 -6.059 2.194 1.00 0.73 H new ATOM 0 HG2 LYS A 76 13.370 -8.615 1.790 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.085 -8.720 1.447 1.00 0.96 H new ATOM 0 HD2 LYS A 76 15.484 -7.517 3.683 1.00 1.23 H new ATOM 0 HD3 LYS A 76 13.780 -7.749 4.018 1.00 1.23 H new ATOM 0 HE2 LYS A 76 15.127 -9.548 5.027 1.00 2.08 H new ATOM 0 HE3 LYS A 76 14.031 -10.189 3.820 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 16.469 -10.948 3.814 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 15.744 -10.565 2.327 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 16.796 -9.458 3.069 1.00 2.52 H new ATOM 826 N VAL A 77 11.391 -6.406 1.276 1.00 0.54 N ATOM 827 CA VAL A 77 10.016 -6.764 1.592 1.00 0.59 C ATOM 828 C VAL A 77 9.050 -6.239 0.539 1.00 0.57 C ATOM 829 O VAL A 77 8.175 -6.964 0.072 1.00 0.62 O ATOM 830 CB VAL A 77 9.602 -6.239 2.977 1.00 0.76 C ATOM 831 CG1 VAL A 77 8.216 -6.741 3.347 1.00 1.04 C ATOM 832 CG2 VAL A 77 10.626 -6.650 4.026 1.00 1.61 C ATOM 0 H VAL A 77 11.756 -5.620 1.814 1.00 0.54 H new ATOM 0 HA VAL A 77 9.968 -7.853 1.602 1.00 0.59 H new ATOM 0 HB VAL A 77 9.567 -5.150 2.940 1.00 0.76 H new ATOM 0 HG11 VAL A 77 7.941 -6.359 4.330 1.00 1.04 H new ATOM 0 HG12 VAL A 77 7.494 -6.394 2.608 1.00 1.04 H new ATOM 0 HG13 VAL A 77 8.218 -7.831 3.369 1.00 1.04 H new ATOM 0 HG21 VAL A 77 10.320 -6.271 5.001 1.00 1.61 H new ATOM 0 HG22 VAL A 77 10.692 -7.737 4.063 1.00 1.61 H new ATOM 0 HG23 VAL A 77 11.600 -6.236 3.766 1.00 1.61 H new ATOM 842 N GLY A 78 9.218 -4.977 0.160 1.00 0.61 N ATOM 843 CA GLY A 78 8.358 -4.379 -0.845 1.00 0.76 C ATOM 844 C GLY A 78 8.172 -5.281 -2.049 1.00 0.78 C ATOM 845 O GLY A 78 7.054 -5.464 -2.530 1.00 0.94 O ATOM 0 H GLY A 78 9.936 -4.356 0.532 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.386 -4.159 -0.404 1.00 0.76 H new ATOM 0 HA3 GLY A 78 8.784 -3.429 -1.167 1.00 0.76 H new ATOM 849 N GLU A 79 9.271 -5.862 -2.524 1.00 0.70 N ATOM 850 CA GLU A 79 9.220 -6.765 -3.665 1.00 0.82 C ATOM 851 C GLU A 79 8.476 -8.041 -3.288 1.00 0.77 C ATOM 852 O GLU A 79 7.601 -8.501 -4.020 1.00 0.79 O ATOM 853 CB GLU A 79 10.631 -7.099 -4.154 1.00 0.91 C ATOM 854 CG GLU A 79 11.349 -5.919 -4.790 1.00 1.18 C ATOM 855 CD GLU A 79 12.713 -6.292 -5.335 1.00 1.88 C ATOM 856 OE1 GLU A 79 12.794 -6.687 -6.518 1.00 2.16 O ATOM 857 OE2 GLU A 79 13.703 -6.191 -4.579 1.00 2.67 O ATOM 0 H GLU A 79 10.204 -5.723 -2.136 1.00 0.70 H new ATOM 0 HA GLU A 79 8.686 -6.269 -4.475 1.00 0.82 H new ATOM 0 HB2 GLU A 79 11.221 -7.463 -3.313 1.00 0.91 H new ATOM 0 HB3 GLU A 79 10.573 -7.912 -4.878 1.00 0.91 H new ATOM 0 HG2 GLU A 79 10.736 -5.518 -5.597 1.00 1.18 H new ATOM 0 HG3 GLU A 79 11.462 -5.126 -4.051 1.00 1.18 H new ATOM 864 N LEU A 80 8.821 -8.602 -2.129 1.00 0.76 N ATOM 865 CA LEU A 80 8.170 -9.816 -1.650 1.00 0.78 C ATOM 866 C LEU A 80 6.667 -9.589 -1.511 1.00 0.72 C ATOM 867 O LEU A 80 5.860 -10.263 -2.153 1.00 0.73 O ATOM 868 CB LEU A 80 8.757 -10.239 -0.303 1.00 0.86 C ATOM 869 CG LEU A 80 8.244 -11.575 0.236 1.00 1.28 C ATOM 870 CD1 LEU A 80 8.730 -12.722 -0.636 1.00 1.69 C ATOM 871 CD2 LEU A 80 8.684 -11.775 1.680 1.00 2.00 C ATOM 0 H LEU A 80 9.544 -8.236 -1.509 1.00 0.76 H new ATOM 0 HA LEU A 80 8.344 -10.610 -2.376 1.00 0.78 H new ATOM 0 HB2 LEU A 80 9.841 -10.295 -0.398 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.541 -9.462 0.430 1.00 0.86 H new ATOM 0 HG LEU A 80 7.154 -11.561 0.210 1.00 1.28 H new ATOM 0 HD11 LEU A 80 8.356 -13.665 -0.238 1.00 1.69 H new ATOM 0 HD12 LEU A 80 8.363 -12.586 -1.653 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.820 -12.738 -0.642 1.00 1.69 H new ATOM 0 HD21 LEU A 80 8.309 -12.731 2.045 1.00 2.00 H new ATOM 0 HD22 LEU A 80 9.773 -11.768 1.733 1.00 2.00 H new ATOM 0 HD23 LEU A 80 8.285 -10.969 2.297 1.00 2.00 H new ATOM 883 N VAL A 81 6.301 -8.625 -0.672 1.00 0.75 N ATOM 884 CA VAL A 81 4.897 -8.295 -0.451 1.00 0.76 C ATOM 885 C VAL A 81 4.234 -7.951 -1.773 1.00 0.74 C ATOM 886 O VAL A 81 3.086 -8.310 -2.025 1.00 0.74 O ATOM 887 CB VAL A 81 4.727 -7.118 0.550 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.760 -7.221 1.653 1.00 1.14 C ATOM 889 CG2 VAL A 81 4.811 -5.749 -0.129 1.00 0.95 C ATOM 0 H VAL A 81 6.957 -8.059 -0.134 1.00 0.75 H new ATOM 0 HA VAL A 81 4.416 -9.170 -0.014 1.00 0.76 H new ATOM 0 HB VAL A 81 3.727 -7.200 0.975 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.633 -6.392 2.349 1.00 1.14 H new ATOM 0 HG12 VAL A 81 5.632 -8.164 2.184 1.00 1.14 H new ATOM 0 HG13 VAL A 81 6.760 -7.181 1.220 1.00 1.14 H new ATOM 0 HG21 VAL A 81 4.686 -4.964 0.617 1.00 0.95 H new ATOM 0 HG22 VAL A 81 5.783 -5.640 -0.610 1.00 0.95 H new ATOM 0 HG23 VAL A 81 4.024 -5.666 -0.879 1.00 0.95 H new ATOM 899 N ALA A 82 4.980 -7.237 -2.604 1.00 0.81 N ATOM 900 CA ALA A 82 4.480 -6.820 -3.903 1.00 0.87 C ATOM 901 C ALA A 82 4.035 -8.019 -4.720 1.00 0.79 C ATOM 902 O ALA A 82 2.873 -8.108 -5.110 1.00 0.85 O ATOM 903 CB ALA A 82 5.541 -6.032 -4.656 1.00 1.03 C ATOM 0 H ALA A 82 5.933 -6.935 -2.401 1.00 0.81 H new ATOM 0 HA ALA A 82 3.616 -6.175 -3.742 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.148 -5.728 -5.626 1.00 1.03 H new ATOM 0 HB2 ALA A 82 5.813 -5.147 -4.081 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.423 -6.656 -4.801 1.00 1.03 H new ATOM 909 N LYS A 83 4.957 -8.950 -4.965 1.00 0.81 N ATOM 910 CA LYS A 83 4.647 -10.154 -5.736 1.00 0.89 C ATOM 911 C LYS A 83 3.306 -10.736 -5.300 1.00 0.81 C ATOM 912 O LYS A 83 2.496 -11.158 -6.126 1.00 0.90 O ATOM 913 CB LYS A 83 5.758 -11.190 -5.565 1.00 1.06 C ATOM 914 CG LYS A 83 5.587 -12.422 -6.439 1.00 1.43 C ATOM 915 CD LYS A 83 5.623 -12.066 -7.917 1.00 1.75 C ATOM 916 CE LYS A 83 5.568 -13.309 -8.791 1.00 2.04 C ATOM 917 NZ LYS A 83 5.681 -12.977 -10.238 1.00 2.68 N ATOM 0 H LYS A 83 5.923 -8.894 -4.642 1.00 0.81 H new ATOM 0 HA LYS A 83 4.579 -9.885 -6.790 1.00 0.89 H new ATOM 0 HB2 LYS A 83 6.716 -10.723 -5.794 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.796 -11.499 -4.520 1.00 1.06 H new ATOM 0 HG2 LYS A 83 6.377 -13.139 -6.217 1.00 1.43 H new ATOM 0 HG3 LYS A 83 4.640 -12.908 -6.204 1.00 1.43 H new ATOM 0 HD2 LYS A 83 4.782 -11.414 -8.156 1.00 1.75 H new ATOM 0 HD3 LYS A 83 6.532 -11.506 -8.135 1.00 1.75 H new ATOM 0 HE2 LYS A 83 6.375 -13.986 -8.510 1.00 2.04 H new ATOM 0 HE3 LYS A 83 4.632 -13.837 -8.612 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 5.639 -13.852 -10.799 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 4.897 -12.351 -10.513 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 6.586 -12.496 -10.414 1.00 2.68 H new ATOM 931 N ARG A 84 3.070 -10.720 -3.994 1.00 0.81 N ATOM 932 CA ARG A 84 1.820 -11.210 -3.438 1.00 0.84 C ATOM 933 C ARG A 84 0.721 -10.171 -3.642 1.00 0.61 C ATOM 934 O ARG A 84 -0.420 -10.505 -3.967 1.00 0.71 O ATOM 935 CB ARG A 84 1.989 -11.515 -1.949 1.00 1.13 C ATOM 936 CG ARG A 84 0.715 -11.987 -1.273 1.00 1.39 C ATOM 937 CD ARG A 84 0.293 -13.360 -1.770 1.00 1.98 C ATOM 938 NE ARG A 84 -0.830 -13.901 -1.008 1.00 2.44 N ATOM 939 CZ ARG A 84 -1.200 -15.177 -1.050 1.00 3.11 C ATOM 940 NH1 ARG A 84 -0.548 -16.032 -1.826 1.00 3.54 N ATOM 941 NH2 ARG A 84 -2.224 -15.600 -0.320 1.00 3.69 N ATOM 0 H ARG A 84 3.732 -10.371 -3.300 1.00 0.81 H new ATOM 0 HA ARG A 84 1.539 -12.129 -3.952 1.00 0.84 H new ATOM 0 HB2 ARG A 84 2.758 -12.279 -1.829 1.00 1.13 H new ATOM 0 HB3 ARG A 84 2.348 -10.619 -1.442 1.00 1.13 H new ATOM 0 HG2 ARG A 84 0.866 -12.021 -0.194 1.00 1.39 H new ATOM 0 HG3 ARG A 84 -0.084 -11.270 -1.461 1.00 1.39 H new ATOM 0 HD2 ARG A 84 0.018 -13.295 -2.823 1.00 1.98 H new ATOM 0 HD3 ARG A 84 1.139 -14.045 -1.703 1.00 1.98 H new ATOM 0 HE ARG A 84 -1.359 -13.265 -0.411 1.00 2.44 H new ATOM 0 HH11 ARG A 84 0.238 -15.711 -2.391 1.00 3.54 H new ATOM 0 HH12 ARG A 84 -0.832 -17.011 -1.858 1.00 3.54 H new ATOM 0 HH21 ARG A 84 -2.730 -14.945 0.276 1.00 3.69 H new ATOM 0 HH22 ARG A 84 -2.505 -16.580 -0.355 1.00 3.69 H new ATOM 955 N ALA A 85 1.084 -8.902 -3.461 1.00 0.61 N ATOM 956 CA ALA A 85 0.147 -7.803 -3.633 1.00 0.80 C ATOM 957 C ALA A 85 -0.489 -7.853 -5.009 1.00 1.06 C ATOM 958 O ALA A 85 -1.704 -8.005 -5.134 1.00 1.38 O ATOM 959 CB ALA A 85 0.847 -6.470 -3.417 1.00 1.21 C ATOM 0 H ALA A 85 2.025 -8.613 -3.194 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.642 -7.904 -2.888 1.00 0.80 H new ATOM 0 HB1 ALA A 85 0.132 -5.658 -3.549 1.00 1.21 H new ATOM 0 HB2 ALA A 85 1.255 -6.433 -2.407 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.656 -6.363 -4.140 1.00 1.21 H new ATOM 965 N LEU A 86 0.334 -7.736 -6.051 1.00 1.11 N ATOM 966 CA LEU A 86 -0.185 -7.784 -7.415 1.00 1.61 C ATOM 967 C LEU A 86 -1.068 -9.024 -7.595 1.00 1.90 C ATOM 968 O LEU A 86 -2.232 -8.928 -7.980 1.00 2.47 O ATOM 969 CB LEU A 86 0.938 -7.795 -8.481 1.00 1.64 C ATOM 970 CG LEU A 86 2.379 -7.914 -7.980 1.00 1.91 C ATOM 971 CD1 LEU A 86 3.271 -8.477 -9.075 1.00 2.52 C ATOM 972 CD2 LEU A 86 2.896 -6.552 -7.527 1.00 1.92 C ATOM 0 H LEU A 86 1.344 -7.610 -5.979 1.00 1.11 H new ATOM 0 HA LEU A 86 -0.770 -6.876 -7.564 1.00 1.61 H new ATOM 0 HB2 LEU A 86 0.748 -8.624 -9.163 1.00 1.64 H new ATOM 0 HB3 LEU A 86 0.858 -6.878 -9.065 1.00 1.64 H new ATOM 0 HG LEU A 86 2.397 -8.595 -7.129 1.00 1.91 H new ATOM 0 HD11 LEU A 86 4.294 -8.557 -8.706 1.00 2.52 H new ATOM 0 HD12 LEU A 86 2.912 -9.464 -9.365 1.00 2.52 H new ATOM 0 HD13 LEU A 86 3.248 -7.814 -9.940 1.00 2.52 H new ATOM 0 HD21 LEU A 86 3.922 -6.652 -7.173 1.00 1.92 H new ATOM 0 HD22 LEU A 86 2.867 -5.855 -8.364 1.00 1.92 H new ATOM 0 HD23 LEU A 86 2.269 -6.175 -6.719 1.00 1.92 H new ATOM 984 N GLU A 87 -0.492 -10.186 -7.312 1.00 1.70 N ATOM 985 CA GLU A 87 -1.195 -11.459 -7.445 1.00 2.11 C ATOM 986 C GLU A 87 -2.608 -11.432 -6.863 1.00 1.86 C ATOM 987 O GLU A 87 -3.465 -12.207 -7.288 1.00 2.33 O ATOM 988 CB GLU A 87 -0.384 -12.564 -6.784 1.00 2.40 C ATOM 989 CG GLU A 87 0.919 -12.826 -7.503 1.00 2.35 C ATOM 990 CD GLU A 87 0.768 -13.815 -8.642 1.00 2.89 C ATOM 991 OE1 GLU A 87 0.023 -13.510 -9.597 1.00 3.20 O ATOM 992 OE2 GLU A 87 1.398 -14.890 -8.583 1.00 3.30 O ATOM 0 H GLU A 87 0.470 -10.274 -6.985 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.301 -11.651 -8.513 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -0.177 -12.291 -5.749 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -0.974 -13.480 -6.760 1.00 2.40 H new ATOM 0 HG2 GLU A 87 1.310 -11.886 -7.892 1.00 2.35 H new ATOM 0 HG3 GLU A 87 1.652 -13.206 -6.792 1.00 2.35 H new ATOM 999 N LYS A 88 -2.863 -10.551 -5.899 1.00 1.30 N ATOM 1000 CA LYS A 88 -4.185 -10.472 -5.302 1.00 1.38 C ATOM 1001 C LYS A 88 -5.116 -9.696 -6.217 1.00 1.33 C ATOM 1002 O LYS A 88 -5.268 -8.481 -6.093 1.00 2.14 O ATOM 1003 CB LYS A 88 -4.122 -9.819 -3.924 1.00 1.54 C ATOM 1004 CG LYS A 88 -4.407 -10.779 -2.776 1.00 1.94 C ATOM 1005 CD LYS A 88 -3.674 -12.101 -2.949 1.00 1.92 C ATOM 1006 CE LYS A 88 -3.656 -12.907 -1.660 1.00 2.31 C ATOM 1007 NZ LYS A 88 -5.031 -13.254 -1.204 1.00 3.30 N ATOM 0 H LYS A 88 -2.181 -9.893 -5.522 1.00 1.30 H new ATOM 0 HA LYS A 88 -4.572 -11.483 -5.176 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.133 -9.383 -3.784 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.840 -9.000 -3.887 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -4.108 -10.318 -1.834 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -5.479 -10.964 -2.714 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -4.154 -12.683 -3.735 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -2.651 -11.910 -3.273 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -3.082 -13.821 -1.811 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -3.148 -12.337 -0.882 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -4.974 -13.887 -0.381 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -5.538 -12.386 -0.938 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -5.542 -13.731 -1.974 1.00 3.30 H new ATOM 1021 N GLY A 89 -5.696 -10.410 -7.164 1.00 1.17 N ATOM 1022 CA GLY A 89 -6.569 -9.789 -8.139 1.00 1.54 C ATOM 1023 C GLY A 89 -5.774 -9.449 -9.369 1.00 1.65 C ATOM 1024 O GLY A 89 -4.792 -10.130 -9.662 1.00 2.42 O ATOM 0 H GLY A 89 -5.578 -11.417 -7.278 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -7.386 -10.463 -8.395 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -7.018 -8.888 -7.721 1.00 1.54 H new ATOM 1028 N ILE A 90 -6.109 -8.360 -10.072 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.284 -7.973 -11.214 1.00 1.78 C ATOM 1030 C ILE A 90 -3.885 -7.812 -10.675 1.00 1.49 C ATOM 1031 O ILE A 90 -3.739 -7.740 -9.451 1.00 1.75 O ATOM 1032 CB ILE A 90 -5.739 -6.677 -11.884 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -7.207 -6.786 -12.252 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -4.900 -6.429 -13.120 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -7.774 -5.536 -12.889 1.00 3.26 C ATOM 0 H ILE A 90 -6.909 -7.757 -9.880 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.356 -8.736 -11.989 1.00 1.78 H new ATOM 0 HB ILE A 90 -5.611 -5.840 -11.197 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -7.338 -7.623 -12.938 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -7.780 -7.017 -11.354 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -5.223 -5.505 -13.600 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -3.851 -6.343 -12.837 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -5.021 -7.260 -13.815 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -8.827 -5.692 -13.123 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -7.676 -4.699 -12.198 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -7.228 -5.315 -13.806 1.00 3.26 H new ATOM 1047 N LYS A 91 -2.845 -7.838 -11.495 1.00 1.32 N ATOM 1048 CA LYS A 91 -1.538 -7.790 -10.875 1.00 1.13 C ATOM 1049 C LYS A 91 -0.792 -6.480 -10.978 1.00 1.05 C ATOM 1050 O LYS A 91 -0.087 -6.208 -11.943 1.00 1.59 O ATOM 1051 CB LYS A 91 -0.731 -8.892 -11.520 1.00 1.58 C ATOM 1052 CG LYS A 91 -1.390 -10.247 -11.366 1.00 2.04 C ATOM 1053 CD LYS A 91 -0.772 -11.285 -12.290 1.00 2.66 C ATOM 1054 CE LYS A 91 0.741 -11.332 -12.147 1.00 3.45 C ATOM 1055 NZ LYS A 91 1.159 -11.579 -10.740 1.00 3.95 N ATOM 0 H LYS A 91 -2.872 -7.888 -12.513 1.00 1.32 H new ATOM 0 HA LYS A 91 -1.683 -7.911 -9.802 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -0.600 -8.672 -12.579 1.00 1.58 H new ATOM 0 HB3 LYS A 91 0.263 -8.920 -11.075 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -1.298 -10.580 -10.332 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -2.455 -10.159 -11.579 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -1.190 -12.267 -12.066 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -1.033 -11.055 -13.323 1.00 2.66 H new ATOM 0 HE2 LYS A 91 1.142 -12.117 -12.788 1.00 3.45 H new ATOM 0 HE3 LYS A 91 1.168 -10.390 -12.492 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 2.038 -12.135 -10.731 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 1.320 -10.670 -10.261 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 0.412 -12.105 -10.243 1.00 3.95 H new ATOM 1069 N GLN A 92 -0.872 -5.771 -9.850 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.144 -4.555 -9.560 1.00 0.67 C ATOM 1071 C GLN A 92 -0.911 -3.754 -8.523 1.00 0.54 C ATOM 1072 O GLN A 92 -2.115 -3.953 -8.362 1.00 0.77 O ATOM 1073 CB GLN A 92 0.212 -3.721 -10.772 1.00 0.79 C ATOM 1074 CG GLN A 92 1.710 -3.711 -11.025 1.00 1.38 C ATOM 1075 CD GLN A 92 2.223 -5.018 -11.599 1.00 2.14 C ATOM 1076 OE1 GLN A 92 2.347 -5.171 -12.811 1.00 3.03 O ATOM 1077 NE2 GLN A 92 2.496 -5.979 -10.724 1.00 2.16 N ATOM 0 H GLN A 92 -1.480 -6.052 -9.081 1.00 0.75 H new ATOM 0 HA GLN A 92 0.826 -4.853 -9.161 1.00 0.67 H new ATOM 0 HB2 GLN A 92 -0.303 -4.114 -11.649 1.00 0.79 H new ATOM 0 HB3 GLN A 92 -0.140 -2.700 -10.627 1.00 0.79 H new ATOM 0 HG2 GLN A 92 1.952 -2.899 -11.711 1.00 1.38 H new ATOM 0 HG3 GLN A 92 2.229 -3.503 -10.090 1.00 1.38 H new ATOM 0 HE21 GLN A 92 2.379 -5.808 -9.725 1.00 2.16 H new ATOM 0 HE22 GLN A 92 2.823 -6.888 -11.051 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.266 -2.807 -7.876 1.00 0.43 N ATOM 1087 CA VAL A 93 -0.972 -1.958 -6.942 1.00 0.44 C ATOM 1088 C VAL A 93 -0.805 -0.509 -7.372 1.00 0.75 C ATOM 1089 O VAL A 93 0.119 -0.189 -8.118 1.00 1.27 O ATOM 1090 CB VAL A 93 -0.510 -2.149 -5.496 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -1.350 -1.277 -4.580 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -0.610 -3.615 -5.103 1.00 1.73 C ATOM 0 H VAL A 93 0.729 -2.608 -7.977 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.025 -2.240 -6.961 1.00 0.44 H new ATOM 0 HB VAL A 93 0.534 -1.849 -5.401 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -1.023 -1.411 -3.549 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -1.233 -0.231 -4.865 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -2.399 -1.561 -4.668 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -0.279 -3.739 -4.072 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -1.644 -3.946 -5.194 1.00 1.73 H new ATOM 0 HG23 VAL A 93 0.021 -4.212 -5.761 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.702 0.365 -6.936 1.00 1.05 N ATOM 1103 CA VAL A 94 -1.628 1.763 -7.340 1.00 1.51 C ATOM 1104 C VAL A 94 -1.031 2.629 -6.249 1.00 1.18 C ATOM 1105 O VAL A 94 -1.612 2.814 -5.180 1.00 1.87 O ATOM 1106 CB VAL A 94 -3.014 2.314 -7.719 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -3.937 2.318 -6.510 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -2.887 3.710 -8.310 1.00 3.01 C ATOM 0 H VAL A 94 -2.477 0.137 -6.313 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.979 1.798 -8.215 1.00 1.51 H new ATOM 0 HB VAL A 94 -3.451 1.662 -8.475 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -4.912 2.711 -6.798 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -4.052 1.300 -6.136 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -3.510 2.945 -5.728 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -3.876 4.085 -8.573 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -2.429 4.375 -7.578 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -2.264 3.671 -9.204 1.00 3.01 H new ATOM 1118 N PHE A 95 0.155 3.147 -6.544 1.00 0.67 N ATOM 1119 CA PHE A 95 0.894 3.995 -5.621 1.00 0.49 C ATOM 1120 C PHE A 95 0.016 5.110 -5.069 1.00 0.59 C ATOM 1121 O PHE A 95 -0.989 5.487 -5.673 1.00 1.09 O ATOM 1122 CB PHE A 95 2.117 4.590 -6.328 1.00 0.90 C ATOM 1123 CG PHE A 95 1.791 5.676 -7.319 1.00 1.91 C ATOM 1124 CD1 PHE A 95 0.670 5.592 -8.137 1.00 2.38 C ATOM 1125 CD2 PHE A 95 2.613 6.785 -7.433 1.00 2.81 C ATOM 1126 CE1 PHE A 95 0.382 6.595 -9.044 1.00 3.55 C ATOM 1127 CE2 PHE A 95 2.328 7.790 -8.339 1.00 3.99 C ATOM 1128 CZ PHE A 95 1.210 7.694 -9.145 1.00 4.33 C ATOM 0 H PHE A 95 0.631 2.990 -7.432 1.00 0.67 H new ATOM 0 HA PHE A 95 1.222 3.380 -4.783 1.00 0.49 H new ATOM 0 HB2 PHE A 95 2.797 4.992 -5.577 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.649 3.791 -6.844 1.00 0.90 H new ATOM 0 HD1 PHE A 95 0.018 4.735 -8.063 1.00 2.38 H new ATOM 0 HD2 PHE A 95 3.488 6.866 -6.806 1.00 2.81 H new ATOM 0 HE1 PHE A 95 -0.492 6.518 -9.674 1.00 3.55 H new ATOM 0 HE2 PHE A 95 2.978 8.649 -8.416 1.00 3.99 H new ATOM 0 HZ PHE A 95 0.985 8.478 -9.853 1.00 4.33 H new ATOM 1138 N ASP A 96 0.403 5.624 -3.909 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.346 6.688 -3.251 1.00 0.81 C ATOM 1140 C ASP A 96 0.088 8.058 -3.757 1.00 0.85 C ATOM 1141 O ASP A 96 1.161 8.205 -4.343 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.155 6.609 -1.735 1.00 1.11 C ATOM 1143 CG ASP A 96 -0.884 7.717 -1.000 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -2.082 7.541 -0.698 1.00 2.45 O ATOM 1145 OD2 ASP A 96 -0.256 8.763 -0.728 1.00 1.69 O ATOM 0 H ASP A 96 1.234 5.320 -3.402 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.401 6.553 -3.488 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -0.512 5.643 -1.377 1.00 1.11 H new ATOM 0 HB3 ASP A 96 0.909 6.662 -1.503 1.00 1.11 H new ATOM 1150 N ARG A 97 -0.752 9.060 -3.522 1.00 0.97 N ATOM 1151 CA ARG A 97 -0.453 10.421 -3.951 1.00 1.31 C ATOM 1152 C ARG A 97 0.900 10.869 -3.412 1.00 1.52 C ATOM 1153 O ARG A 97 1.572 11.710 -4.012 1.00 1.99 O ATOM 1154 CB ARG A 97 -1.546 11.382 -3.482 1.00 1.45 C ATOM 1155 CG ARG A 97 -1.253 12.839 -3.802 1.00 1.62 C ATOM 1156 CD ARG A 97 -2.408 13.743 -3.402 1.00 1.98 C ATOM 1157 NE ARG A 97 -2.732 13.621 -1.984 1.00 2.55 N ATOM 1158 CZ ARG A 97 -3.855 14.084 -1.443 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -4.759 14.688 -2.203 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -4.076 13.941 -0.143 1.00 4.10 N ATOM 0 H ARG A 97 -1.644 8.956 -3.038 1.00 0.97 H new ATOM 0 HA ARG A 97 -0.417 10.434 -5.040 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -2.491 11.099 -3.947 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -1.676 11.274 -2.405 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -0.348 13.152 -3.281 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -1.059 12.946 -4.869 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -2.153 14.778 -3.628 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -3.286 13.494 -3.997 1.00 1.98 H new ATOM 0 HE ARG A 97 -2.060 13.155 -1.374 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -4.593 14.798 -3.203 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -5.620 15.043 -1.787 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -3.384 13.475 0.444 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -4.938 14.297 0.270 1.00 4.10 H new ATOM 1174 N GLY A 98 1.297 10.302 -2.276 1.00 1.57 N ATOM 1175 CA GLY A 98 2.569 10.653 -1.674 1.00 1.94 C ATOM 1176 C GLY A 98 3.710 10.609 -2.673 1.00 1.60 C ATOM 1177 O GLY A 98 4.448 11.582 -2.825 1.00 2.16 O ATOM 0 H GLY A 98 0.759 9.605 -1.762 1.00 1.57 H new ATOM 0 HA2 GLY A 98 2.502 11.653 -1.246 1.00 1.94 H new ATOM 0 HA3 GLY A 98 2.781 9.968 -0.853 1.00 1.94 H new ATOM 1181 N GLY A 99 3.849 9.479 -3.359 1.00 1.23 N ATOM 1182 CA GLY A 99 4.905 9.339 -4.344 1.00 1.25 C ATOM 1183 C GLY A 99 4.842 10.426 -5.404 1.00 1.56 C ATOM 1184 O GLY A 99 4.085 11.388 -5.266 1.00 2.33 O ATOM 0 H GLY A 99 3.251 8.660 -3.251 1.00 1.23 H new ATOM 0 HA2 GLY A 99 5.873 9.375 -3.845 1.00 1.25 H new ATOM 0 HA3 GLY A 99 4.828 8.362 -4.821 1.00 1.25 H new ATOM 1188 N TYR A 100 5.639 10.284 -6.460 1.00 1.47 N ATOM 1189 CA TYR A 100 5.669 11.276 -7.533 1.00 1.80 C ATOM 1190 C TYR A 100 6.072 10.625 -8.863 1.00 1.69 C ATOM 1191 O TYR A 100 5.723 9.475 -9.112 1.00 2.19 O ATOM 1192 CB TYR A 100 6.630 12.406 -7.157 1.00 2.04 C ATOM 1193 CG TYR A 100 8.073 11.983 -7.083 1.00 1.95 C ATOM 1194 CD1 TYR A 100 8.521 11.118 -6.094 1.00 2.11 C ATOM 1195 CD2 TYR A 100 8.994 12.461 -8.002 1.00 2.40 C ATOM 1196 CE1 TYR A 100 9.844 10.744 -6.024 1.00 2.30 C ATOM 1197 CE2 TYR A 100 10.319 12.094 -7.940 1.00 2.59 C ATOM 1198 CZ TYR A 100 10.743 11.235 -6.949 1.00 2.40 C ATOM 1199 OH TYR A 100 12.068 10.869 -6.883 1.00 2.76 O ATOM 0 H TYR A 100 6.271 9.495 -6.596 1.00 1.47 H new ATOM 0 HA TYR A 100 4.671 11.694 -7.663 1.00 1.80 H new ATOM 0 HB2 TYR A 100 6.534 13.209 -7.888 1.00 2.04 H new ATOM 0 HB3 TYR A 100 6.332 12.816 -6.192 1.00 2.04 H new ATOM 0 HD1 TYR A 100 7.821 10.732 -5.368 1.00 2.11 H new ATOM 0 HD2 TYR A 100 8.666 13.134 -8.781 1.00 2.40 H new ATOM 0 HE1 TYR A 100 10.177 10.070 -5.249 1.00 2.30 H new ATOM 0 HE2 TYR A 100 11.023 12.477 -8.664 1.00 2.59 H new ATOM 0 HH TYR A 100 12.328 10.430 -7.719 1.00 2.76 H new ATOM 1209 N LEU A 101 6.801 11.348 -9.718 1.00 1.42 N ATOM 1210 CA LEU A 101 7.230 10.793 -10.998 1.00 1.38 C ATOM 1211 C LEU A 101 8.100 9.558 -10.776 1.00 1.16 C ATOM 1212 O LEU A 101 8.168 8.683 -11.636 1.00 1.18 O ATOM 1213 CB LEU A 101 8.000 11.840 -11.805 1.00 1.57 C ATOM 1214 CG LEU A 101 8.425 11.397 -13.207 1.00 1.80 C ATOM 1215 CD1 LEU A 101 9.587 10.419 -13.131 1.00 2.20 C ATOM 1216 CD2 LEU A 101 7.249 10.773 -13.944 1.00 2.28 C ATOM 0 H LEU A 101 7.102 12.308 -9.547 1.00 1.42 H new ATOM 0 HA LEU A 101 6.343 10.502 -11.561 1.00 1.38 H new ATOM 0 HB2 LEU A 101 7.382 12.733 -11.895 1.00 1.57 H new ATOM 0 HB3 LEU A 101 8.891 12.124 -11.245 1.00 1.57 H new ATOM 0 HG LEU A 101 8.755 12.276 -13.761 1.00 1.80 H new ATOM 0 HD11 LEU A 101 9.874 10.116 -14.138 1.00 2.20 H new ATOM 0 HD12 LEU A 101 10.434 10.898 -12.641 1.00 2.20 H new ATOM 0 HD13 LEU A 101 9.287 9.541 -12.560 1.00 2.20 H new ATOM 0 HD21 LEU A 101 7.567 10.463 -14.940 1.00 2.28 H new ATOM 0 HD22 LEU A 101 6.892 9.905 -13.390 1.00 2.28 H new ATOM 0 HD23 LEU A 101 6.445 11.504 -14.031 1.00 2.28 H new ATOM 1228 N TYR A 102 8.746 9.515 -9.601 1.00 1.11 N ATOM 1229 CA TYR A 102 9.626 8.418 -9.169 1.00 0.96 C ATOM 1230 C TYR A 102 11.104 8.804 -9.295 1.00 1.03 C ATOM 1231 O TYR A 102 11.428 9.987 -9.252 1.00 1.54 O ATOM 1232 CB TYR A 102 9.313 7.082 -9.878 1.00 0.93 C ATOM 1233 CG TYR A 102 7.910 6.569 -9.647 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.044 7.247 -8.805 1.00 0.95 C ATOM 1235 CD2 TYR A 102 7.446 5.435 -10.293 1.00 0.93 C ATOM 1236 CE1 TYR A 102 5.751 6.805 -8.610 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.157 4.983 -10.101 1.00 1.01 C ATOM 1238 CZ TYR A 102 5.356 5.583 -9.188 1.00 1.06 C ATOM 1239 OH TYR A 102 4.023 5.229 -9.067 1.00 1.25 O ATOM 0 H TYR A 102 8.669 10.260 -8.908 1.00 1.11 H new ATOM 0 HA TYR A 102 9.419 8.250 -8.112 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.470 7.207 -10.949 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.023 6.329 -9.538 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.386 8.135 -8.293 1.00 0.95 H new ATOM 0 HD2 TYR A 102 8.104 4.896 -10.958 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.054 7.386 -8.024 1.00 1.05 H new ATOM 0 HE2 TYR A 102 5.786 4.150 -10.679 1.00 1.01 H new ATOM 0 HH TYR A 102 3.668 5.575 -8.222 1.00 1.25 H new ATOM 1249 N HIS A 103 11.998 7.807 -9.402 1.00 0.77 N ATOM 1250 CA HIS A 103 13.436 8.048 -9.484 1.00 0.89 C ATOM 1251 C HIS A 103 14.012 8.337 -8.094 1.00 0.87 C ATOM 1252 O HIS A 103 14.332 9.481 -7.772 1.00 1.36 O ATOM 1253 CB HIS A 103 13.743 9.201 -10.439 1.00 1.19 C ATOM 1254 CG HIS A 103 15.205 9.375 -10.717 1.00 1.63 C ATOM 1255 ND1 HIS A 103 15.927 10.470 -10.291 1.00 2.23 N ATOM 1256 CD2 HIS A 103 16.083 8.584 -11.380 1.00 2.09 C ATOM 1257 CE1 HIS A 103 17.183 10.347 -10.680 1.00 2.54 C ATOM 1258 NE2 HIS A 103 17.304 9.211 -11.343 1.00 2.39 N ATOM 0 H HIS A 103 11.740 6.821 -9.433 1.00 0.77 H new ATOM 0 HA HIS A 103 13.908 7.147 -9.876 1.00 0.89 H new ATOM 0 HB2 HIS A 103 13.220 9.031 -11.380 1.00 1.19 H new ATOM 0 HB3 HIS A 103 13.349 10.126 -10.018 1.00 1.19 H new ATOM 0 HD2 HIS A 103 15.863 7.637 -11.850 1.00 2.09 H new ATOM 0 HE1 HIS A 103 17.976 11.055 -10.489 1.00 2.54 H new ATOM 0 HE2 HIS A 103 18.165 8.857 -11.760 1.00 2.39 H new ATOM 1267 N GLY A 104 14.139 7.289 -7.272 1.00 0.90 N ATOM 1268 CA GLY A 104 14.675 7.456 -5.925 1.00 0.97 C ATOM 1269 C GLY A 104 14.432 6.249 -5.027 1.00 0.93 C ATOM 1270 O GLY A 104 14.502 5.106 -5.478 1.00 1.07 O ATOM 0 H GLY A 104 13.881 6.332 -7.514 1.00 0.90 H new ATOM 0 HA2 GLY A 104 15.747 7.643 -5.988 1.00 0.97 H new ATOM 0 HA3 GLY A 104 14.224 8.337 -5.468 1.00 0.97 H new ATOM 1274 N ARG A 105 14.149 6.510 -3.746 1.00 0.88 N ATOM 1275 CA ARG A 105 13.898 5.448 -2.774 1.00 0.90 C ATOM 1276 C ARG A 105 12.410 5.064 -2.692 1.00 0.73 C ATOM 1277 O ARG A 105 12.054 3.901 -2.878 1.00 0.92 O ATOM 1278 CB ARG A 105 14.414 5.860 -1.388 1.00 1.06 C ATOM 1279 CG ARG A 105 13.802 7.142 -0.843 1.00 1.51 C ATOM 1280 CD ARG A 105 14.515 7.609 0.416 1.00 1.92 C ATOM 1281 NE ARG A 105 15.901 7.992 0.156 1.00 2.44 N ATOM 1282 CZ ARG A 105 16.754 8.353 1.110 1.00 3.16 C ATOM 1283 NH1 ARG A 105 16.367 8.367 2.379 1.00 3.59 N ATOM 1284 NH2 ARG A 105 17.995 8.699 0.797 1.00 3.76 N ATOM 0 H ARG A 105 14.089 7.452 -3.360 1.00 0.88 H new ATOM 0 HA ARG A 105 14.440 4.567 -3.118 1.00 0.90 H new ATOM 0 HB2 ARG A 105 14.216 5.051 -0.685 1.00 1.06 H new ATOM 0 HB3 ARG A 105 15.496 5.982 -1.438 1.00 1.06 H new ATOM 0 HG2 ARG A 105 13.854 7.922 -1.602 1.00 1.51 H new ATOM 0 HG3 ARG A 105 12.747 6.979 -0.625 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.979 8.458 0.841 1.00 1.92 H new ATOM 0 HD3 ARG A 105 14.493 6.813 1.160 1.00 1.92 H new ATOM 0 HE ARG A 105 16.232 7.982 -0.809 1.00 2.44 H new ATOM 0 HH11 ARG A 105 15.414 8.100 2.624 1.00 3.59 H new ATOM 0 HH12 ARG A 105 17.023 8.644 3.109 1.00 3.59 H new ATOM 0 HH21 ARG A 105 18.297 8.689 -0.177 1.00 3.76 H new ATOM 0 HH22 ARG A 105 18.648 8.976 1.530 1.00 3.76 H new ATOM 1298 N VAL A 106 11.543 6.037 -2.417 1.00 0.59 N ATOM 1299 CA VAL A 106 10.097 5.766 -2.312 1.00 0.62 C ATOM 1300 C VAL A 106 9.628 4.992 -3.534 1.00 0.67 C ATOM 1301 O VAL A 106 9.152 3.854 -3.469 1.00 0.70 O ATOM 1302 CB VAL A 106 9.253 7.066 -2.235 1.00 0.79 C ATOM 1303 CG1 VAL A 106 7.933 6.805 -1.534 1.00 1.42 C ATOM 1304 CG2 VAL A 106 10.004 8.200 -1.552 1.00 1.76 C ATOM 0 H VAL A 106 11.805 7.011 -2.263 1.00 0.59 H new ATOM 0 HA VAL A 106 9.954 5.196 -1.394 1.00 0.62 H new ATOM 0 HB VAL A 106 9.054 7.381 -3.259 1.00 0.79 H new ATOM 0 HG11 VAL A 106 7.356 7.728 -1.490 1.00 1.42 H new ATOM 0 HG12 VAL A 106 7.371 6.052 -2.086 1.00 1.42 H new ATOM 0 HG13 VAL A 106 8.123 6.447 -0.522 1.00 1.42 H new ATOM 0 HG21 VAL A 106 9.373 9.088 -1.522 1.00 1.76 H new ATOM 0 HG22 VAL A 106 10.263 7.904 -0.535 1.00 1.76 H new ATOM 0 HG23 VAL A 106 10.915 8.421 -2.109 1.00 1.76 H new ATOM 1314 N LYS A 107 9.775 5.651 -4.651 1.00 0.76 N ATOM 1315 CA LYS A 107 9.405 5.120 -5.940 1.00 0.89 C ATOM 1316 C LYS A 107 9.914 3.715 -6.171 1.00 0.75 C ATOM 1317 O LYS A 107 9.391 3.029 -7.017 1.00 0.76 O ATOM 1318 CB LYS A 107 9.960 6.015 -7.032 1.00 1.17 C ATOM 1319 CG LYS A 107 11.296 6.658 -6.671 1.00 1.89 C ATOM 1320 CD LYS A 107 11.129 8.094 -6.211 1.00 2.96 C ATOM 1321 CE LYS A 107 11.739 8.312 -4.829 1.00 3.87 C ATOM 1322 NZ LYS A 107 12.472 9.605 -4.733 1.00 4.87 N ATOM 0 H LYS A 107 10.164 6.593 -4.694 1.00 0.76 H new ATOM 0 HA LYS A 107 8.316 5.087 -5.964 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.082 5.430 -7.944 1.00 1.17 H new ATOM 0 HB3 LYS A 107 9.236 6.799 -7.251 1.00 1.17 H new ATOM 0 HG2 LYS A 107 11.776 6.078 -5.883 1.00 1.89 H new ATOM 0 HG3 LYS A 107 11.958 6.629 -7.536 1.00 1.89 H new ATOM 0 HD2 LYS A 107 11.602 8.765 -6.929 1.00 2.96 H new ATOM 0 HD3 LYS A 107 10.069 8.349 -6.187 1.00 2.96 H new ATOM 0 HE2 LYS A 107 10.950 8.288 -4.078 1.00 3.87 H new ATOM 0 HE3 LYS A 107 12.421 7.492 -4.602 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 13.436 9.432 -4.383 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 12.519 10.048 -5.673 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 11.974 10.239 -4.076 1.00 4.87 H new ATOM 1336 N ALA A 108 10.939 3.282 -5.462 1.00 0.77 N ATOM 1337 CA ALA A 108 11.450 1.939 -5.691 1.00 0.73 C ATOM 1338 C ALA A 108 10.397 0.895 -5.341 1.00 0.63 C ATOM 1339 O ALA A 108 10.298 -0.139 -6.002 1.00 0.68 O ATOM 1340 CB ALA A 108 12.730 1.700 -4.925 1.00 0.85 C ATOM 0 H ALA A 108 11.424 3.819 -4.743 1.00 0.77 H new ATOM 0 HA ALA A 108 11.681 1.845 -6.752 1.00 0.73 H new ATOM 0 HB1 ALA A 108 13.086 0.688 -5.118 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.485 2.417 -5.246 1.00 0.85 H new ATOM 0 HB3 ALA A 108 12.544 1.822 -3.858 1.00 0.85 H new ATOM 1346 N LEU A 109 9.591 1.175 -4.319 1.00 0.70 N ATOM 1347 CA LEU A 109 8.534 0.254 -3.926 1.00 0.80 C ATOM 1348 C LEU A 109 7.361 0.395 -4.889 1.00 0.66 C ATOM 1349 O LEU A 109 6.745 -0.597 -5.300 1.00 0.76 O ATOM 1350 CB LEU A 109 8.084 0.500 -2.477 1.00 1.05 C ATOM 1351 CG LEU A 109 7.353 1.823 -2.208 1.00 1.76 C ATOM 1352 CD1 LEU A 109 5.967 1.561 -1.642 1.00 2.64 C ATOM 1353 CD2 LEU A 109 8.160 2.701 -1.261 1.00 2.27 C ATOM 0 H LEU A 109 9.650 2.023 -3.755 1.00 0.70 H new ATOM 0 HA LEU A 109 8.921 -0.764 -3.973 1.00 0.80 H new ATOM 0 HB2 LEU A 109 7.430 -0.319 -2.178 1.00 1.05 H new ATOM 0 HB3 LEU A 109 8.963 0.458 -1.834 1.00 1.05 H new ATOM 0 HG LEU A 109 7.244 2.352 -3.155 1.00 1.76 H new ATOM 0 HD11 LEU A 109 5.464 2.510 -1.458 1.00 2.64 H new ATOM 0 HD12 LEU A 109 5.387 0.976 -2.356 1.00 2.64 H new ATOM 0 HD13 LEU A 109 6.055 1.009 -0.706 1.00 2.64 H new ATOM 0 HD21 LEU A 109 7.624 3.633 -1.084 1.00 2.27 H new ATOM 0 HD22 LEU A 109 8.304 2.179 -0.315 1.00 2.27 H new ATOM 0 HD23 LEU A 109 9.131 2.919 -1.706 1.00 2.27 H new ATOM 1365 N ALA A 110 7.082 1.633 -5.282 1.00 0.56 N ATOM 1366 CA ALA A 110 6.009 1.897 -6.226 1.00 0.60 C ATOM 1367 C ALA A 110 6.443 1.487 -7.633 1.00 0.59 C ATOM 1368 O ALA A 110 5.622 1.136 -8.464 1.00 0.70 O ATOM 1369 CB ALA A 110 5.596 3.363 -6.164 1.00 0.79 C ATOM 0 H ALA A 110 7.582 2.463 -4.963 1.00 0.56 H new ATOM 0 HA ALA A 110 5.136 1.302 -5.958 1.00 0.60 H new ATOM 0 HB1 ALA A 110 4.792 3.545 -6.877 1.00 0.79 H new ATOM 0 HB2 ALA A 110 5.250 3.601 -5.158 1.00 0.79 H new ATOM 0 HB3 ALA A 110 6.450 3.993 -6.413 1.00 0.79 H new ATOM 1375 N ASP A 111 7.754 1.507 -7.852 1.00 0.57 N ATOM 1376 CA ASP A 111 8.380 1.121 -9.105 1.00 0.59 C ATOM 1377 C ASP A 111 8.310 -0.381 -9.249 1.00 0.55 C ATOM 1378 O ASP A 111 8.118 -0.909 -10.338 1.00 0.56 O ATOM 1379 CB ASP A 111 9.846 1.563 -9.146 1.00 0.78 C ATOM 1380 CG ASP A 111 10.555 1.096 -10.402 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.095 -0.031 -10.395 1.00 0.94 O ATOM 1382 OD2 ASP A 111 10.572 1.856 -11.392 1.00 0.88 O ATOM 0 H ASP A 111 8.425 1.800 -7.142 1.00 0.57 H new ATOM 0 HA ASP A 111 7.849 1.608 -9.923 1.00 0.59 H new ATOM 0 HB2 ASP A 111 9.897 2.650 -9.086 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.366 1.171 -8.272 1.00 0.78 H new ATOM 1387 N ALA A 112 8.445 -1.067 -8.117 1.00 0.61 N ATOM 1388 CA ALA A 112 8.370 -2.517 -8.093 1.00 0.70 C ATOM 1389 C ALA A 112 7.062 -2.940 -8.730 1.00 0.67 C ATOM 1390 O ALA A 112 7.030 -3.761 -9.649 1.00 0.75 O ATOM 1391 CB ALA A 112 8.472 -3.015 -6.658 1.00 0.82 C ATOM 0 H ALA A 112 8.607 -0.638 -7.206 1.00 0.61 H new ATOM 0 HA ALA A 112 9.197 -2.952 -8.654 1.00 0.70 H new ATOM 0 HB1 ALA A 112 8.415 -4.103 -6.646 1.00 0.82 H new ATOM 0 HB2 ALA A 112 9.422 -2.696 -6.229 1.00 0.82 H new ATOM 0 HB3 ALA A 112 7.652 -2.602 -6.070 1.00 0.82 H new ATOM 1397 N ALA A 113 5.986 -2.326 -8.259 1.00 0.64 N ATOM 1398 CA ALA A 113 4.668 -2.587 -8.805 1.00 0.72 C ATOM 1399 C ALA A 113 4.505 -1.852 -10.127 1.00 0.67 C ATOM 1400 O ALA A 113 4.016 -2.410 -11.108 1.00 0.86 O ATOM 1401 CB ALA A 113 3.591 -2.140 -7.837 1.00 0.77 C ATOM 0 H ALA A 113 6.003 -1.644 -7.500 1.00 0.64 H new ATOM 0 HA ALA A 113 4.566 -3.660 -8.969 1.00 0.72 H new ATOM 0 HB1 ALA A 113 2.610 -2.344 -8.265 1.00 0.77 H new ATOM 0 HB2 ALA A 113 3.698 -2.683 -6.898 1.00 0.77 H new ATOM 0 HB3 ALA A 113 3.690 -1.071 -7.651 1.00 0.77 H new ATOM 1407 N ARG A 114 4.916 -0.588 -10.143 1.00 0.57 N ATOM 1408 CA ARG A 114 4.802 0.223 -11.342 1.00 0.62 C ATOM 1409 C ARG A 114 5.438 -0.480 -12.534 1.00 0.65 C ATOM 1410 O ARG A 114 4.774 -0.768 -13.531 1.00 0.75 O ATOM 1411 CB ARG A 114 5.433 1.601 -11.171 1.00 0.69 C ATOM 1412 CG ARG A 114 5.137 2.539 -12.330 1.00 1.00 C ATOM 1413 CD ARG A 114 3.795 3.230 -12.154 1.00 1.56 C ATOM 1414 NE ARG A 114 3.462 4.087 -13.289 1.00 1.95 N ATOM 1415 CZ ARG A 114 2.423 4.918 -13.303 1.00 2.59 C ATOM 1416 NH1 ARG A 114 1.628 5.007 -12.246 1.00 3.23 N ATOM 1417 NH2 ARG A 114 2.181 5.662 -14.374 1.00 3.01 N ATOM 0 H ARG A 114 5.328 -0.109 -9.343 1.00 0.57 H new ATOM 0 HA ARG A 114 3.736 0.360 -11.524 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.069 2.049 -10.246 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.512 1.490 -11.068 1.00 0.69 H new ATOM 0 HG2 ARG A 114 5.926 3.287 -12.406 1.00 1.00 H new ATOM 0 HG3 ARG A 114 5.139 1.978 -13.264 1.00 1.00 H new ATOM 0 HD2 ARG A 114 3.015 2.479 -12.027 1.00 1.56 H new ATOM 0 HD3 ARG A 114 3.813 3.828 -11.243 1.00 1.56 H new ATOM 0 HE ARG A 114 4.058 4.046 -14.116 1.00 1.95 H new ATOM 0 HH11 ARG A 114 1.812 4.438 -11.420 1.00 3.23 H new ATOM 0 HH12 ARG A 114 0.832 5.645 -12.259 1.00 3.23 H new ATOM 0 HH21 ARG A 114 2.792 5.598 -15.188 1.00 3.01 H new ATOM 0 HH22 ARG A 114 1.384 6.299 -14.383 1.00 3.01 H new ATOM 1431 N GLU A 115 6.735 -0.748 -12.410 1.00 0.63 N ATOM 1432 CA GLU A 115 7.492 -1.415 -13.458 1.00 0.71 C ATOM 1433 C GLU A 115 6.780 -2.680 -13.921 1.00 0.85 C ATOM 1434 O GLU A 115 6.578 -2.887 -15.117 1.00 1.02 O ATOM 1435 CB GLU A 115 8.909 -1.747 -12.968 1.00 0.67 C ATOM 1436 CG GLU A 115 8.994 -2.981 -12.078 1.00 1.21 C ATOM 1437 CD GLU A 115 10.389 -3.210 -11.532 1.00 1.83 C ATOM 1438 OE1 GLU A 115 11.178 -3.913 -12.198 1.00 1.97 O ATOM 1439 OE2 GLU A 115 10.692 -2.690 -10.438 1.00 2.59 O ATOM 0 H GLU A 115 7.285 -0.510 -11.585 1.00 0.63 H new ATOM 0 HA GLU A 115 7.567 -0.736 -14.307 1.00 0.71 H new ATOM 0 HB2 GLU A 115 9.555 -1.893 -13.834 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.301 -0.890 -12.419 1.00 0.67 H new ATOM 0 HG2 GLU A 115 8.296 -2.875 -11.248 1.00 1.21 H new ATOM 0 HG3 GLU A 115 8.682 -3.857 -12.647 1.00 1.21 H new ATOM 1446 N ALA A 116 6.397 -3.521 -12.965 1.00 0.84 N ATOM 1447 CA ALA A 116 5.705 -4.761 -13.282 1.00 1.03 C ATOM 1448 C ALA A 116 4.520 -4.503 -14.196 1.00 1.11 C ATOM 1449 O ALA A 116 4.081 -5.387 -14.932 1.00 1.28 O ATOM 1450 CB ALA A 116 5.251 -5.461 -12.007 1.00 1.08 C ATOM 0 H ALA A 116 6.554 -3.366 -11.969 1.00 0.84 H new ATOM 0 HA ALA A 116 6.403 -5.413 -13.807 1.00 1.03 H new ATOM 0 HB1 ALA A 116 4.735 -6.386 -12.264 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.119 -5.689 -11.388 1.00 1.08 H new ATOM 0 HB3 ALA A 116 4.573 -4.809 -11.456 1.00 1.08 H new ATOM 1456 N GLY A 117 3.996 -3.291 -14.127 1.00 1.01 N ATOM 1457 CA GLY A 117 2.851 -2.928 -14.931 1.00 1.09 C ATOM 1458 C GLY A 117 1.707 -2.548 -14.037 1.00 0.98 C ATOM 1459 O GLY A 117 0.916 -3.396 -13.627 1.00 1.07 O ATOM 0 H GLY A 117 4.347 -2.547 -13.524 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.104 -2.096 -15.588 1.00 1.09 H new ATOM 0 HA3 GLY A 117 2.564 -3.763 -15.571 1.00 1.09 H new ATOM 1463 N LEU A 118 1.666 -1.282 -13.670 1.00 0.99 N ATOM 1464 CA LEU A 118 0.656 -0.813 -12.732 1.00 1.08 C ATOM 1465 C LEU A 118 -0.752 -0.823 -13.298 1.00 0.96 C ATOM 1466 O LEU A 118 -1.154 0.044 -14.074 1.00 1.25 O ATOM 1467 CB LEU A 118 0.967 0.593 -12.222 1.00 1.61 C ATOM 1468 CG LEU A 118 0.451 0.889 -10.803 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.325 2.388 -10.583 1.00 2.65 C ATOM 1470 CD2 LEU A 118 -0.887 0.191 -10.542 1.00 2.48 C ATOM 0 H LEU A 118 2.311 -0.564 -14.001 1.00 0.99 H new ATOM 0 HA LEU A 118 0.693 -1.526 -11.908 1.00 1.08 H new ATOM 0 HB2 LEU A 118 2.047 0.741 -12.240 1.00 1.61 H new ATOM 0 HB3 LEU A 118 0.534 1.319 -12.910 1.00 1.61 H new ATOM 0 HG LEU A 118 1.177 0.494 -10.093 1.00 2.05 H new ATOM 0 HD11 LEU A 118 -0.041 2.578 -9.574 1.00 2.65 H new ATOM 0 HD12 LEU A 118 1.301 2.858 -10.709 1.00 2.65 H new ATOM 0 HD13 LEU A 118 -0.375 2.805 -11.308 1.00 2.65 H new ATOM 0 HD21 LEU A 118 -1.225 0.419 -9.531 1.00 2.48 H new ATOM 0 HD22 LEU A 118 -1.627 0.543 -11.261 1.00 2.48 H new ATOM 0 HD23 LEU A 118 -0.762 -0.887 -10.648 1.00 2.48 H new ATOM 1482 N GLU A 119 -1.500 -1.806 -12.828 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.887 -1.995 -13.160 1.00 0.78 C ATOM 1484 C GLU A 119 -3.605 -2.344 -11.856 1.00 0.72 C ATOM 1485 O GLU A 119 -3.401 -3.426 -11.305 1.00 0.66 O ATOM 1486 CB GLU A 119 -3.008 -3.125 -14.193 1.00 0.84 C ATOM 1487 CG GLU A 119 -4.359 -3.816 -14.233 1.00 1.48 C ATOM 1488 CD GLU A 119 -5.420 -2.994 -14.940 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -5.533 -3.109 -16.179 1.00 2.85 O ATOM 1490 OE2 GLU A 119 -6.136 -2.233 -14.256 1.00 2.56 O ATOM 0 H GLU A 119 -1.141 -2.512 -12.186 1.00 0.73 H new ATOM 0 HA GLU A 119 -3.332 -1.103 -13.600 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.796 -2.717 -15.181 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -2.241 -3.871 -13.985 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -4.255 -4.777 -14.737 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -4.686 -4.024 -13.214 1.00 1.48 H new ATOM 1497 N PHE A 120 -4.421 -1.427 -11.351 1.00 0.85 N ATOM 1498 CA PHE A 120 -5.128 -1.664 -10.097 1.00 0.91 C ATOM 1499 C PHE A 120 -6.034 -0.489 -9.745 1.00 1.15 C ATOM 1500 O PHE A 120 -6.444 0.240 -10.672 1.00 1.57 O ATOM 1501 CB PHE A 120 -4.132 -1.922 -8.959 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.657 -2.835 -7.889 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -5.414 -3.950 -8.218 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.389 -2.581 -6.555 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -5.894 -4.794 -7.236 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -4.866 -3.421 -5.567 1.00 1.97 C ATOM 1507 CZ PHE A 120 -5.619 -4.529 -5.907 1.00 1.95 C ATOM 1508 OXT PHE A 120 -6.327 -0.308 -8.544 1.00 1.71 O ATOM 0 H PHE A 120 -4.609 -0.523 -11.784 1.00 0.85 H new ATOM 0 HA PHE A 120 -5.752 -2.548 -10.228 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -3.222 -2.352 -9.376 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -3.856 -0.969 -8.507 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -5.631 -4.161 -9.255 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -3.801 -1.717 -6.283 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -6.483 -5.659 -7.505 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -4.651 -3.212 -4.530 1.00 1.97 H new ATOM 0 HZ PHE A 120 -5.992 -5.187 -5.136 1.00 1.95 H new