USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 64 SER OG : rot 42:sc= -0.0678 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0515 USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.928 K(o=0.84,f=-2.9!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= -0.0925 K(o=0.84,f=-0.36) USER MOD Set 3.1: A 21 THR OG1 : rot -52:sc= 1.32 USER MOD Set 3.2: A 33 THR OG1 : rot 54:sc= 0.147 USER MOD Set 4.1: A 13 GLN : amide:sc= 1.05 K(o=1.4,f=-9.8) USER MOD Set 4.2: A 16 ASN : amide:sc= 0.382 K(o=1.4,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0353) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 171:sc= 1.08 USER MOD Single : A 8 THR OG1 : rot -78:sc= 1.58 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0.541 (180deg=0.48) USER MOD Single : A 15 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=-0.34) USER MOD Single : A 20 SER OG : rot -175:sc= 1.24 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.857 K(o=0.86,f=-0.12) USER MOD Single : A 55 THR OG1 : rot 26:sc= 0.971 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 SER OG : rot 70:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 1.17 (180deg=0.845) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.933 -8.809 -14.110 1.00 10.00 N ATOM 30 CA LYS A 5 -2.905 -9.706 -13.529 1.00 10.00 C ATOM 31 C LYS A 5 -3.507 -8.910 -12.382 1.00 10.00 C ATOM 32 O LYS A 5 -2.787 -8.514 -11.470 1.00 10.00 O ATOM 33 CB LYS A 5 -2.216 -10.997 -13.055 1.00 10.00 C ATOM 34 CG LYS A 5 -3.113 -11.816 -12.115 1.00 10.00 C ATOM 35 CD LYS A 5 -2.469 -13.163 -11.759 1.00 10.00 C ATOM 36 CE LYS A 5 -2.933 -13.672 -10.383 1.00 10.00 C ATOM 37 NZ LYS A 5 -4.405 -13.742 -10.250 1.00 10.00 N ATOM 0 HA LYS A 5 -3.674 -10.030 -14.230 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.948 -11.604 -13.920 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.288 -10.745 -12.542 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.301 -11.249 -11.203 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.079 -11.987 -12.589 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.720 -13.899 -12.523 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.384 -13.059 -11.761 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.512 -14.662 -10.209 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.536 -13.016 -9.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -4.651 -14.201 -9.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -4.801 -12.781 -10.268 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.799 -14.293 -11.039 1.00 10.00 H new ATOM 51 N TYR A 6 -4.809 -8.647 -12.443 1.00 10.00 N ATOM 52 CA TYR A 6 -5.496 -8.027 -11.331 1.00 10.00 C ATOM 53 C TYR A 6 -5.480 -8.978 -10.130 1.00 10.00 C ATOM 54 O TYR A 6 -5.395 -10.199 -10.302 1.00 10.00 O ATOM 55 CB TYR A 6 -6.920 -7.641 -11.729 1.00 10.00 C ATOM 56 CG TYR A 6 -7.045 -6.771 -12.965 1.00 10.00 C ATOM 57 CD1 TYR A 6 -7.108 -7.353 -14.246 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.127 -5.373 -12.834 1.00 10.00 C ATOM 59 CE1 TYR A 6 -7.167 -6.538 -15.390 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.207 -4.559 -13.977 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.208 -5.140 -15.255 1.00 10.00 C ATOM 62 OH TYR A 6 -7.290 -4.344 -16.357 1.00 10.00 O ATOM 0 H TYR A 6 -5.400 -8.854 -13.248 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.981 -7.109 -11.048 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.492 -8.554 -11.891 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.383 -7.119 -10.891 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.111 -8.428 -14.350 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.128 -4.924 -11.852 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.181 -6.986 -16.372 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.268 -3.486 -13.872 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.310 -3.404 -16.081 1.00 10.00 H new ATOM 72 N TYR A 7 -5.553 -8.416 -8.923 1.00 10.00 N ATOM 73 CA TYR A 7 -5.512 -9.165 -7.676 1.00 10.00 C ATOM 74 C TYR A 7 -6.820 -8.910 -6.930 1.00 10.00 C ATOM 75 O TYR A 7 -7.305 -7.776 -6.900 1.00 10.00 O ATOM 76 CB TYR A 7 -4.281 -8.752 -6.856 1.00 10.00 C ATOM 77 CG TYR A 7 -2.984 -8.706 -7.648 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.427 -9.882 -8.186 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.361 -7.470 -7.898 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.266 -9.815 -8.981 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.189 -7.408 -8.664 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.661 -8.572 -9.243 1.00 10.00 C ATOM 83 OH TYR A 7 0.432 -8.495 -10.056 1.00 10.00 O ATOM 0 H TYR A 7 -5.644 -7.409 -8.787 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.419 -10.235 -7.862 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.462 -7.769 -6.422 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.161 -9.449 -6.027 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.891 -10.837 -7.989 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.789 -6.563 -7.497 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.840 -10.719 -9.390 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.690 -6.461 -8.809 1.00 10.00 H new ATOM 0 HH TYR A 7 0.634 -7.555 -10.244 1.00 10.00 H new ATOM 93 N THR A 8 -7.426 -9.964 -6.385 1.00 10.00 N ATOM 94 CA THR A 8 -8.636 -9.836 -5.589 1.00 10.00 C ATOM 95 C THR A 8 -8.278 -9.279 -4.212 1.00 10.00 C ATOM 96 O THR A 8 -7.139 -9.407 -3.760 1.00 10.00 O ATOM 97 CB THR A 8 -9.332 -11.198 -5.449 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.524 -12.074 -4.694 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.659 -11.832 -6.805 1.00 10.00 C ATOM 0 H THR A 8 -7.091 -10.922 -6.484 1.00 10.00 H new ATOM 0 HA THR A 8 -9.323 -9.152 -6.087 1.00 10.00 H new ATOM 0 HB THR A 8 -10.278 -11.026 -4.936 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.800 -12.418 -5.257 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.150 -12.793 -6.649 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.322 -11.172 -7.365 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.738 -11.983 -7.368 1.00 10.00 H new ATOM 107 N LEU A 9 -9.265 -8.704 -3.520 1.00 10.00 N ATOM 108 CA LEU A 9 -9.119 -8.305 -2.125 1.00 10.00 C ATOM 109 C LEU A 9 -8.552 -9.476 -1.314 1.00 10.00 C ATOM 110 O LEU A 9 -7.625 -9.304 -0.531 1.00 10.00 O ATOM 111 CB LEU A 9 -10.479 -7.835 -1.583 1.00 10.00 C ATOM 112 CG LEU A 9 -10.377 -6.571 -0.710 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.781 -6.074 -0.335 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.544 -6.809 0.556 1.00 10.00 C ATOM 0 H LEU A 9 -10.185 -8.504 -3.913 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.420 -7.473 -2.040 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.149 -7.638 -2.420 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.928 -8.638 -0.998 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.866 -5.808 -1.297 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.698 -5.180 0.282 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.338 -5.838 -1.242 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.306 -6.851 0.221 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.500 -5.890 1.141 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.005 -7.596 1.152 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.534 -7.110 0.276 1.00 10.00 H new ATOM 126 N GLU A 10 -9.087 -10.678 -1.550 1.00 10.00 N ATOM 127 CA GLU A 10 -8.615 -11.917 -0.940 1.00 10.00 C ATOM 128 C GLU A 10 -7.120 -12.133 -1.166 1.00 10.00 C ATOM 129 O GLU A 10 -6.351 -12.288 -0.217 1.00 10.00 O ATOM 130 CB GLU A 10 -9.401 -13.102 -1.504 1.00 10.00 C ATOM 131 CG GLU A 10 -9.064 -14.424 -0.799 1.00 10.00 C ATOM 132 CD GLU A 10 -9.269 -14.359 0.707 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.376 -13.973 1.129 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.297 -14.707 1.413 1.00 10.00 O ATOM 0 H GLU A 10 -9.875 -10.816 -2.183 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.778 -11.840 0.135 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.469 -12.904 -1.407 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.191 -13.199 -2.569 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.685 -15.219 -1.211 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.028 -14.688 -1.009 1.00 10.00 H new ATOM 141 N GLU A 11 -6.706 -12.169 -2.435 1.00 10.00 N ATOM 142 CA GLU A 11 -5.300 -12.316 -2.779 1.00 10.00 C ATOM 143 C GLU A 11 -4.476 -11.294 -1.992 1.00 10.00 C ATOM 144 O GLU A 11 -3.517 -11.640 -1.308 1.00 10.00 O ATOM 145 CB GLU A 11 -5.086 -12.108 -4.287 1.00 10.00 C ATOM 146 CG GLU A 11 -4.868 -13.411 -5.066 1.00 10.00 C ATOM 147 CD GLU A 11 -6.170 -14.143 -5.321 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.946 -13.601 -6.141 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.366 -15.209 -4.703 1.00 10.00 O ATOM 0 H GLU A 11 -7.330 -12.098 -3.239 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.978 -13.325 -2.522 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.952 -11.589 -4.699 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.224 -11.458 -4.436 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.385 -13.188 -6.017 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.191 -14.058 -4.508 1.00 10.00 H new ATOM 156 N ILE A 12 -4.864 -10.024 -2.083 1.00 10.00 N ATOM 157 CA ILE A 12 -4.135 -8.927 -1.465 1.00 10.00 C ATOM 158 C ILE A 12 -4.044 -9.150 0.057 1.00 10.00 C ATOM 159 O ILE A 12 -2.960 -9.044 0.630 1.00 10.00 O ATOM 160 CB ILE A 12 -4.778 -7.596 -1.903 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.733 -7.460 -3.443 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.056 -6.383 -1.308 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.778 -6.474 -3.963 1.00 10.00 C ATOM 0 H ILE A 12 -5.698 -9.729 -2.591 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.099 -8.884 -1.801 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.806 -7.614 -1.541 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.740 -7.130 -3.749 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.898 -8.437 -3.898 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.544 -5.468 -1.644 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.093 -6.435 -0.220 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.017 -6.381 -1.636 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.710 -6.411 -5.049 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.774 -6.817 -3.681 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.597 -5.490 -3.530 1.00 10.00 H new ATOM 175 N GLN A 13 -5.148 -9.553 0.696 1.00 10.00 N ATOM 176 CA GLN A 13 -5.233 -9.932 2.102 1.00 10.00 C ATOM 177 C GLN A 13 -4.246 -11.042 2.491 1.00 10.00 C ATOM 178 O GLN A 13 -3.892 -11.170 3.662 1.00 10.00 O ATOM 179 CB GLN A 13 -6.675 -10.366 2.418 1.00 10.00 C ATOM 180 CG GLN A 13 -7.590 -9.202 2.815 1.00 10.00 C ATOM 181 CD GLN A 13 -7.483 -8.875 4.302 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.417 -8.984 4.899 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.590 -8.498 4.935 1.00 10.00 N ATOM 0 H GLN A 13 -6.047 -9.626 0.220 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.957 -9.059 2.694 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.095 -10.867 1.546 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.657 -11.096 3.227 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.330 -8.320 2.230 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.623 -9.453 2.572 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.467 -8.413 4.422 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.562 -8.294 5.934 1.00 10.00 H new ATOM 192 N LYS A 14 -3.794 -11.880 1.551 1.00 10.00 N ATOM 193 CA LYS A 14 -2.794 -12.889 1.870 1.00 10.00 C ATOM 194 C LYS A 14 -1.404 -12.262 2.072 1.00 10.00 C ATOM 195 O LYS A 14 -0.540 -12.921 2.658 1.00 10.00 O ATOM 196 CB LYS A 14 -2.771 -13.986 0.794 1.00 10.00 C ATOM 197 CG LYS A 14 -4.076 -14.796 0.698 1.00 10.00 C ATOM 198 CD LYS A 14 -4.112 -15.927 1.738 1.00 10.00 C ATOM 199 CE LYS A 14 -5.269 -16.910 1.498 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.565 -16.411 1.998 1.00 10.00 N ATOM 0 H LYS A 14 -4.103 -11.876 0.579 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.072 -13.353 2.816 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.568 -13.527 -0.174 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.947 -14.668 1.003 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.929 -14.134 0.849 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.172 -15.217 -0.303 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.167 -16.470 1.713 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.206 -15.497 2.735 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.351 -17.111 0.430 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.039 -17.858 1.984 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.292 -17.143 1.869 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -6.482 -16.180 3.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -6.836 -15.558 1.469 1.00 10.00 H new ATOM 214 N HIS A 15 -1.170 -11.029 1.600 1.00 10.00 N ATOM 215 CA HIS A 15 0.125 -10.351 1.606 1.00 10.00 C ATOM 216 C HIS A 15 0.060 -9.110 2.503 1.00 10.00 C ATOM 217 O HIS A 15 0.179 -7.989 2.017 1.00 10.00 O ATOM 218 CB HIS A 15 0.504 -9.932 0.175 1.00 10.00 C ATOM 219 CG HIS A 15 0.881 -11.045 -0.768 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.066 -11.138 -1.463 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.060 -12.041 -1.223 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.970 -12.193 -2.290 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.770 -12.782 -2.173 1.00 10.00 N ATOM 0 H HIS A 15 -1.909 -10.459 1.189 1.00 10.00 H new ATOM 0 HA HIS A 15 0.880 -11.036 1.992 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.336 -9.388 -0.256 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.340 -9.234 0.233 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.956 -12.223 -0.905 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.752 -12.522 -2.958 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.441 -13.606 -2.677 1.00 10.00 H new ATOM 231 N ASN A 16 -0.107 -9.300 3.814 1.00 10.00 N ATOM 232 CA ASN A 16 -0.232 -8.178 4.750 1.00 10.00 C ATOM 233 C ASN A 16 1.078 -7.959 5.504 1.00 10.00 C ATOM 234 O ASN A 16 1.603 -6.846 5.590 1.00 10.00 O ATOM 235 CB ASN A 16 -1.383 -8.407 5.740 1.00 10.00 C ATOM 236 CG ASN A 16 -2.734 -8.531 5.051 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.824 -8.499 3.832 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.795 -8.705 5.828 1.00 10.00 N ATOM 0 H ASN A 16 -0.159 -10.220 4.252 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.456 -7.283 4.169 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.188 -9.313 6.314 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.416 -7.580 6.450 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.719 -8.817 5.411 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.686 -8.727 6.842 1.00 10.00 H new ATOM 292 N SER A 20 4.688 -10.202 2.464 1.00 10.00 N ATOM 293 CA SER A 20 4.881 -8.845 1.987 1.00 10.00 C ATOM 294 C SER A 20 3.752 -7.997 2.568 1.00 10.00 C ATOM 295 O SER A 20 2.946 -8.512 3.342 1.00 10.00 O ATOM 296 CB SER A 20 4.908 -8.779 0.452 1.00 10.00 C ATOM 297 OG SER A 20 5.271 -7.472 0.048 1.00 10.00 O ATOM 0 HA SER A 20 5.848 -8.464 2.315 1.00 10.00 H new ATOM 0 HB2 SER A 20 5.619 -9.505 0.057 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.930 -9.039 0.048 1.00 10.00 H new ATOM 0 HG SER A 20 5.218 -7.405 -0.928 1.00 10.00 H new ATOM 303 N THR A 21 3.703 -6.726 2.170 1.00 10.00 N ATOM 304 CA THR A 21 2.707 -5.739 2.528 1.00 10.00 C ATOM 305 C THR A 21 2.176 -5.133 1.231 1.00 10.00 C ATOM 306 O THR A 21 2.805 -4.244 0.650 1.00 10.00 O ATOM 307 CB THR A 21 3.368 -4.705 3.444 1.00 10.00 C ATOM 308 OG1 THR A 21 3.834 -5.374 4.602 1.00 10.00 O ATOM 309 CG2 THR A 21 2.450 -3.531 3.798 1.00 10.00 C ATOM 0 H THR A 21 4.412 -6.341 1.546 1.00 10.00 H new ATOM 0 HA THR A 21 1.864 -6.165 3.072 1.00 10.00 H new ATOM 0 HB THR A 21 4.202 -4.252 2.908 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.105 -5.901 4.991 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.982 -2.837 4.449 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.150 -3.016 2.886 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.564 -3.904 4.312 1.00 10.00 H new ATOM 317 N TRP A 22 1.038 -5.664 0.780 1.00 10.00 N ATOM 318 CA TRP A 22 0.220 -5.155 -0.303 1.00 10.00 C ATOM 319 C TRP A 22 -0.959 -4.407 0.316 1.00 10.00 C ATOM 320 O TRP A 22 -1.223 -4.544 1.509 1.00 10.00 O ATOM 321 CB TRP A 22 -0.296 -6.314 -1.164 1.00 10.00 C ATOM 322 CG TRP A 22 0.698 -7.138 -1.924 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.038 -7.121 -1.768 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.444 -8.074 -3.017 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.623 -7.960 -2.683 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.692 -8.576 -3.488 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.714 -8.520 -3.686 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.789 -9.468 -4.565 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.635 -9.437 -4.749 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.613 -9.904 -5.197 1.00 10.00 C ATOM 0 H TRP A 22 0.646 -6.511 1.191 1.00 10.00 H new ATOM 0 HA TRP A 22 0.805 -4.491 -0.939 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.856 -6.986 -0.514 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.005 -5.903 -1.883 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.570 -6.535 -1.033 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.629 -8.109 -2.758 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.680 -8.150 -3.376 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.754 -9.815 -4.904 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.540 -9.785 -5.225 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.667 -10.596 -6.025 1.00 10.00 H new ATOM 341 N LEU A 23 -1.674 -3.615 -0.483 1.00 10.00 N ATOM 342 CA LEU A 23 -2.815 -2.812 -0.062 1.00 10.00 C ATOM 343 C LEU A 23 -3.423 -2.175 -1.311 1.00 10.00 C ATOM 344 O LEU A 23 -2.812 -2.269 -2.375 1.00 10.00 O ATOM 345 CB LEU A 23 -2.429 -1.782 1.016 1.00 10.00 C ATOM 346 CG LEU A 23 -1.051 -1.128 0.823 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.046 -0.157 -0.353 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.659 -0.355 2.079 1.00 10.00 C ATOM 0 H LEU A 23 -1.465 -3.514 -1.476 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.564 -3.442 0.417 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.187 -0.999 1.037 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.449 -2.272 1.990 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.340 -1.930 0.625 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.055 0.284 -0.456 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.302 -0.692 -1.268 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.778 0.632 -0.177 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.318 0.105 1.933 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.399 0.421 2.275 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.616 -1.038 2.928 1.00 10.00 H new ATOM 360 N ILE A 24 -4.609 -1.563 -1.192 1.00 10.00 N ATOM 361 CA ILE A 24 -5.352 -0.981 -2.308 1.00 10.00 C ATOM 362 C ILE A 24 -5.491 0.524 -2.094 1.00 10.00 C ATOM 363 O ILE A 24 -6.228 0.959 -1.200 1.00 10.00 O ATOM 364 CB ILE A 24 -6.737 -1.638 -2.444 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.594 -3.108 -2.863 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.589 -0.913 -3.501 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.799 -3.914 -2.359 1.00 10.00 C ATOM 0 H ILE A 24 -5.085 -1.459 -0.296 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.805 -1.163 -3.233 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.227 -1.572 -1.473 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.525 -3.181 -3.948 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.672 -3.523 -2.456 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.563 -1.397 -3.578 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.723 0.128 -3.208 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.085 -0.956 -4.467 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.691 -4.956 -2.660 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.848 -3.853 -1.272 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.715 -3.506 -2.787 1.00 10.00 H new ATOM 379 N LEU A 25 -4.810 1.311 -2.932 1.00 10.00 N ATOM 380 CA LEU A 25 -5.007 2.743 -3.025 1.00 10.00 C ATOM 381 C LEU A 25 -5.660 2.997 -4.388 1.00 10.00 C ATOM 382 O LEU A 25 -5.078 2.666 -5.419 1.00 10.00 O ATOM 383 CB LEU A 25 -3.671 3.487 -2.889 1.00 10.00 C ATOM 384 CG LEU A 25 -2.963 3.551 -1.522 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.626 2.740 -0.418 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.470 3.210 -1.648 1.00 10.00 C ATOM 0 H LEU A 25 -4.098 0.957 -3.570 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.641 3.113 -2.220 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.974 3.035 -3.595 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.836 4.513 -3.218 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.063 4.589 -1.204 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.056 2.847 0.505 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.642 3.102 -0.261 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.655 1.689 -0.706 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.000 3.264 -0.666 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.359 2.202 -2.048 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.990 3.921 -2.320 1.00 10.00 H new ATOM 398 N HIS A 26 -6.884 3.531 -4.404 1.00 10.00 N ATOM 399 CA HIS A 26 -7.612 3.915 -5.614 1.00 10.00 C ATOM 400 C HIS A 26 -7.685 2.767 -6.623 1.00 10.00 C ATOM 401 O HIS A 26 -7.388 2.944 -7.803 1.00 10.00 O ATOM 402 CB HIS A 26 -6.999 5.171 -6.246 1.00 10.00 C ATOM 403 CG HIS A 26 -6.869 6.319 -5.285 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.847 7.231 -4.962 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.760 6.613 -4.542 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.328 8.065 -4.045 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.063 7.721 -3.753 1.00 10.00 N ATOM 0 H HIS A 26 -7.411 3.713 -3.550 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.635 4.148 -5.319 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.014 4.925 -6.643 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.614 5.481 -7.090 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.819 6.083 -4.563 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.856 8.898 -3.603 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.445 8.181 -3.084 1.00 10.00 H new ATOM 415 N TYR A 27 -8.076 1.584 -6.144 1.00 10.00 N ATOM 416 CA TYR A 27 -8.208 0.376 -6.947 1.00 10.00 C ATOM 417 C TYR A 27 -6.875 -0.100 -7.546 1.00 10.00 C ATOM 418 O TYR A 27 -6.895 -0.938 -8.446 1.00 10.00 O ATOM 419 CB TYR A 27 -9.271 0.560 -8.045 1.00 10.00 C ATOM 420 CG TYR A 27 -10.598 1.156 -7.611 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.311 0.595 -6.535 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.205 2.155 -8.397 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.643 0.971 -6.297 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.516 2.578 -8.115 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.233 1.992 -7.058 1.00 10.00 C ATOM 426 OH TYR A 27 -14.510 2.381 -6.794 1.00 10.00 O ATOM 0 H TYR A 27 -8.314 1.441 -5.163 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.537 -0.411 -6.268 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.850 1.196 -8.824 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.466 -0.412 -8.498 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.832 -0.127 -5.890 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.662 2.597 -9.219 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.214 0.474 -5.527 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.972 3.354 -8.711 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.767 3.099 -7.410 1.00 10.00 H new ATOM 436 N LYS A 28 -5.728 0.394 -7.062 1.00 10.00 N ATOM 437 CA LYS A 28 -4.412 -0.029 -7.523 1.00 10.00 C ATOM 438 C LYS A 28 -3.652 -0.698 -6.380 1.00 10.00 C ATOM 439 O LYS A 28 -3.708 -0.213 -5.247 1.00 10.00 O ATOM 440 CB LYS A 28 -3.646 1.164 -8.098 1.00 10.00 C ATOM 441 CG LYS A 28 -4.433 1.853 -9.216 1.00 10.00 C ATOM 442 CD LYS A 28 -3.459 2.396 -10.265 1.00 10.00 C ATOM 443 CE LYS A 28 -4.216 3.041 -11.434 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.026 4.503 -11.472 1.00 10.00 N ATOM 0 H LYS A 28 -5.694 1.106 -6.332 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.522 -0.762 -8.322 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.438 1.881 -7.304 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.684 0.828 -8.484 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.124 1.148 -9.677 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.033 2.665 -8.806 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.797 3.130 -9.806 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.830 1.587 -10.636 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.873 2.606 -12.373 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.279 2.815 -11.347 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.553 4.901 -12.275 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.376 4.922 -10.587 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.014 4.719 -11.581 1.00 10.00 H new ATOM 458 N VAL A 29 -2.983 -1.822 -6.671 1.00 10.00 N ATOM 459 CA VAL A 29 -2.250 -2.600 -5.681 1.00 10.00 C ATOM 460 C VAL A 29 -0.765 -2.229 -5.684 1.00 10.00 C ATOM 461 O VAL A 29 -0.145 -2.127 -6.745 1.00 10.00 O ATOM 462 CB VAL A 29 -2.445 -4.101 -5.923 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.990 -4.912 -4.703 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.921 -4.403 -6.179 1.00 10.00 C ATOM 0 H VAL A 29 -2.939 -2.215 -7.611 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.649 -2.362 -4.695 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.847 -4.380 -6.790 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.137 -5.974 -4.897 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.934 -4.721 -4.512 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.575 -4.618 -3.832 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.049 -5.472 -6.350 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.510 -4.101 -5.313 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.258 -3.852 -7.057 1.00 10.00 H new ATOM 474 N TYR A 30 -0.198 -2.048 -4.488 1.00 10.00 N ATOM 475 CA TYR A 30 1.179 -1.615 -4.291 1.00 10.00 C ATOM 476 C TYR A 30 1.921 -2.601 -3.389 1.00 10.00 C ATOM 477 O TYR A 30 1.629 -2.648 -2.198 1.00 10.00 O ATOM 478 CB TYR A 30 1.159 -0.214 -3.671 1.00 10.00 C ATOM 479 CG TYR A 30 0.547 0.827 -4.584 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.331 1.422 -5.585 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.833 1.089 -4.536 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.749 2.311 -6.505 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.410 1.974 -5.459 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.621 2.596 -6.435 1.00 10.00 C ATOM 485 OH TYR A 30 -1.183 3.448 -7.339 1.00 10.00 O ATOM 0 H TYR A 30 -0.699 -2.203 -3.613 1.00 10.00 H new ATOM 0 HA TYR A 30 1.704 -1.584 -5.246 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.599 -0.244 -2.736 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.178 0.082 -3.423 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.385 1.196 -5.648 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.449 0.610 -3.789 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.358 2.775 -7.267 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.470 2.177 -5.417 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.693 3.396 -8.186 1.00 10.00 H new ATOM 495 N ASP A 31 2.879 -3.366 -3.931 1.00 10.00 N ATOM 496 CA ASP A 31 3.781 -4.182 -3.118 1.00 10.00 C ATOM 497 C ASP A 31 4.857 -3.260 -2.570 1.00 10.00 C ATOM 498 O ASP A 31 5.615 -2.690 -3.354 1.00 10.00 O ATOM 499 CB ASP A 31 4.437 -5.298 -3.949 1.00 10.00 C ATOM 500 CG ASP A 31 5.479 -6.094 -3.159 1.00 10.00 C ATOM 501 OD1 ASP A 31 6.659 -5.691 -3.167 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.090 -7.120 -2.556 1.00 10.00 O ATOM 0 H ASP A 31 3.047 -3.434 -4.935 1.00 10.00 H new ATOM 0 HA ASP A 31 3.217 -4.660 -2.317 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.665 -5.977 -4.310 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.911 -4.860 -4.827 1.00 10.00 H new ATOM 507 N LEU A 32 4.899 -3.067 -1.249 1.00 10.00 N ATOM 508 CA LEU A 32 5.972 -2.335 -0.615 1.00 10.00 C ATOM 509 C LEU A 32 6.790 -3.301 0.247 1.00 10.00 C ATOM 510 O LEU A 32 7.694 -3.957 -0.262 1.00 10.00 O ATOM 511 CB LEU A 32 5.416 -1.099 0.105 1.00 10.00 C ATOM 512 CG LEU A 32 4.574 -0.213 -0.837 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.115 -0.183 -0.369 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.167 1.192 -0.886 1.00 10.00 C ATOM 0 H LEU A 32 4.191 -3.415 -0.603 1.00 10.00 H new ATOM 0 HA LEU A 32 6.673 -1.927 -1.344 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.803 -1.416 0.949 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.241 -0.514 0.512 1.00 10.00 H new ATOM 0 HG LEU A 32 4.594 -0.630 -1.844 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.530 0.445 -1.041 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.710 -1.195 -0.374 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.065 0.222 0.642 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.571 1.816 -1.552 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.164 1.623 0.115 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.191 1.142 -1.256 1.00 10.00 H new ATOM 526 N THR A 33 6.495 -3.400 1.548 1.00 10.00 N ATOM 527 CA THR A 33 7.181 -4.238 2.534 1.00 10.00 C ATOM 528 C THR A 33 8.640 -3.814 2.790 1.00 10.00 C ATOM 529 O THR A 33 9.019 -3.463 3.903 1.00 10.00 O ATOM 530 CB THR A 33 6.960 -5.740 2.286 1.00 10.00 C ATOM 531 OG1 THR A 33 6.402 -6.336 3.450 1.00 10.00 O ATOM 532 CG2 THR A 33 8.198 -6.545 1.882 1.00 10.00 C ATOM 0 H THR A 33 5.730 -2.868 1.962 1.00 10.00 H new ATOM 0 HA THR A 33 6.700 -4.053 3.494 1.00 10.00 H new ATOM 0 HB THR A 33 6.289 -5.778 1.428 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.596 -5.846 3.714 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.921 -7.589 1.734 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.607 -6.143 0.955 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.949 -6.477 2.669 1.00 10.00 H new ATOM 540 N LYS A 34 9.472 -3.780 1.753 1.00 10.00 N ATOM 541 CA LYS A 34 10.849 -3.328 1.843 1.00 10.00 C ATOM 542 C LYS A 34 10.882 -1.832 2.175 1.00 10.00 C ATOM 543 O LYS A 34 11.831 -1.351 2.783 1.00 10.00 O ATOM 544 CB LYS A 34 11.543 -3.652 0.513 1.00 10.00 C ATOM 545 CG LYS A 34 11.638 -5.175 0.296 1.00 10.00 C ATOM 546 CD LYS A 34 11.259 -5.555 -1.145 1.00 10.00 C ATOM 547 CE LYS A 34 11.383 -7.064 -1.414 1.00 10.00 C ATOM 548 NZ LYS A 34 10.360 -7.857 -0.698 1.00 10.00 N ATOM 0 H LYS A 34 9.200 -4.071 0.814 1.00 10.00 H new ATOM 0 HA LYS A 34 11.383 -3.839 2.644 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.991 -3.198 -0.310 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.542 -3.217 0.505 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.652 -5.513 0.510 1.00 10.00 H new ATOM 0 HG3 LYS A 34 10.977 -5.687 0.996 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.235 -5.238 -1.342 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.900 -5.013 -1.840 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.294 -7.247 -2.485 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.375 -7.402 -1.114 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.489 -8.866 -0.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.459 -7.707 0.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 9.412 -7.556 -1.002 1.00 10.00 H new ATOM 562 N PHE A 35 9.806 -1.118 1.824 1.00 10.00 N ATOM 563 CA PHE A 35 9.689 0.318 2.008 1.00 10.00 C ATOM 564 C PHE A 35 9.140 0.635 3.400 1.00 10.00 C ATOM 565 O PHE A 35 8.949 1.799 3.720 1.00 10.00 O ATOM 566 CB PHE A 35 8.742 0.873 0.935 1.00 10.00 C ATOM 567 CG PHE A 35 8.882 2.359 0.647 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.094 2.861 0.139 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.822 3.246 0.917 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.264 4.241 -0.055 1.00 10.00 C ATOM 571 CE2 PHE A 35 7.981 4.625 0.692 1.00 10.00 C ATOM 572 CZ PHE A 35 9.207 5.125 0.220 1.00 10.00 C ATOM 0 H PHE A 35 8.981 -1.538 1.397 1.00 10.00 H new ATOM 0 HA PHE A 35 10.672 0.779 1.915 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.908 0.323 0.008 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.715 0.675 1.243 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.898 2.181 -0.103 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.885 2.866 1.298 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.207 4.623 -0.416 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.160 5.301 0.882 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.336 6.187 0.069 1.00 10.00 H new ATOM 582 N LEU A 36 8.817 -0.366 4.227 1.00 10.00 N ATOM 583 CA LEU A 36 8.189 -0.107 5.515 1.00 10.00 C ATOM 584 C LEU A 36 9.068 0.787 6.385 1.00 10.00 C ATOM 585 O LEU A 36 8.619 1.813 6.885 1.00 10.00 O ATOM 586 CB LEU A 36 7.915 -1.432 6.223 1.00 10.00 C ATOM 587 CG LEU A 36 6.834 -2.261 5.526 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.843 -3.660 6.154 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.434 -1.675 5.676 1.00 10.00 C ATOM 0 H LEU A 36 8.981 -1.352 4.025 1.00 10.00 H new ATOM 0 HA LEU A 36 7.248 0.416 5.345 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.837 -2.011 6.271 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.609 -1.234 7.250 1.00 10.00 H new ATOM 0 HG LEU A 36 7.062 -2.276 4.460 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.081 -4.277 5.678 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.822 -4.117 6.011 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.632 -3.581 7.220 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.716 -2.311 5.159 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.174 -1.620 6.733 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.410 -0.675 5.244 1.00 10.00 H new ATOM 601 N GLU A 37 10.326 0.381 6.556 1.00 10.00 N ATOM 602 CA GLU A 37 11.298 1.127 7.343 1.00 10.00 C ATOM 603 C GLU A 37 11.592 2.486 6.684 1.00 10.00 C ATOM 604 O GLU A 37 11.766 3.494 7.365 1.00 10.00 O ATOM 605 CB GLU A 37 12.551 0.257 7.519 1.00 10.00 C ATOM 606 CG GLU A 37 13.305 0.562 8.820 1.00 10.00 C ATOM 607 CD GLU A 37 14.443 -0.428 9.052 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.069 -0.821 8.044 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.653 -0.789 10.229 1.00 10.00 O ATOM 0 H GLU A 37 10.697 -0.478 6.150 1.00 10.00 H new ATOM 0 HA GLU A 37 10.904 1.354 8.334 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.263 -0.794 7.509 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.219 0.413 6.672 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.705 1.575 8.781 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.612 0.525 9.661 1.00 10.00 H new ATOM 616 N GLU A 38 11.627 2.508 5.348 1.00 10.00 N ATOM 617 CA GLU A 38 11.862 3.701 4.546 1.00 10.00 C ATOM 618 C GLU A 38 10.749 4.737 4.731 1.00 10.00 C ATOM 619 O GLU A 38 11.000 5.940 4.800 1.00 10.00 O ATOM 620 CB GLU A 38 11.949 3.286 3.074 1.00 10.00 C ATOM 621 CG GLU A 38 13.092 2.302 2.801 1.00 10.00 C ATOM 622 CD GLU A 38 13.391 2.228 1.309 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.929 3.230 0.792 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.035 1.196 0.699 1.00 10.00 O ATOM 0 H GLU A 38 11.488 1.670 4.784 1.00 10.00 H new ATOM 0 HA GLU A 38 12.794 4.165 4.871 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.005 2.832 2.773 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.086 4.175 2.458 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.985 2.615 3.341 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.824 1.313 3.173 1.00 10.00 H new ATOM 631 N HIS A 39 9.505 4.263 4.743 1.00 10.00 N ATOM 632 CA HIS A 39 8.307 5.082 4.745 1.00 10.00 C ATOM 633 C HIS A 39 8.309 6.018 5.959 1.00 10.00 C ATOM 634 O HIS A 39 8.296 5.537 7.091 1.00 10.00 O ATOM 635 CB HIS A 39 7.082 4.161 4.756 1.00 10.00 C ATOM 636 CG HIS A 39 5.764 4.885 4.760 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.811 4.804 5.748 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.254 5.641 3.738 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.751 5.513 5.320 1.00 10.00 C ATOM 640 NE2 HIS A 39 3.970 6.052 4.104 1.00 10.00 N ATOM 0 H HIS A 39 9.302 3.263 4.752 1.00 10.00 H new ATOM 0 HA HIS A 39 8.276 5.704 3.850 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.123 3.510 3.882 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.133 3.518 5.635 1.00 10.00 H new ATOM 0 HD1 HIS A 39 4.892 4.304 6.633 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.756 5.878 2.812 1.00 10.00 H new ATOM 0 HE1 HIS A 39 2.837 5.635 5.882 1.00 10.00 H new ATOM 648 N PRO A 40 8.282 7.348 5.770 1.00 10.00 N ATOM 649 CA PRO A 40 8.412 8.293 6.871 1.00 10.00 C ATOM 650 C PRO A 40 7.211 8.240 7.821 1.00 10.00 C ATOM 651 O PRO A 40 7.344 8.571 8.995 1.00 10.00 O ATOM 652 CB PRO A 40 8.587 9.665 6.217 1.00 10.00 C ATOM 653 CG PRO A 40 7.881 9.503 4.873 1.00 10.00 C ATOM 654 CD PRO A 40 8.163 8.048 4.503 1.00 10.00 C ATOM 0 HA PRO A 40 9.266 8.053 7.505 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.137 10.457 6.816 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.639 9.920 6.091 1.00 10.00 H new ATOM 0 HG2 PRO A 40 6.812 9.698 4.954 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.275 10.192 4.126 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.357 7.632 3.898 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.078 7.961 3.918 1.00 10.00 H new ATOM 662 N GLY A 41 6.044 7.794 7.340 1.00 10.00 N ATOM 663 CA GLY A 41 4.901 7.529 8.204 1.00 10.00 C ATOM 664 C GLY A 41 5.123 6.335 9.137 1.00 10.00 C ATOM 665 O GLY A 41 4.328 6.124 10.050 1.00 10.00 O ATOM 0 H GLY A 41 5.872 7.610 6.351 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.690 8.416 8.801 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.021 7.343 7.588 1.00 10.00 H new ATOM 669 N GLY A 42 6.173 5.543 8.904 1.00 10.00 N ATOM 670 CA GLY A 42 6.522 4.380 9.697 1.00 10.00 C ATOM 671 C GLY A 42 6.151 3.091 8.971 1.00 10.00 C ATOM 672 O GLY A 42 5.465 3.107 7.943 1.00 10.00 O ATOM 0 H GLY A 42 6.819 5.706 8.132 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.591 4.387 9.909 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.007 4.422 10.657 1.00 10.00 H new ATOM 676 N GLU A 43 6.582 1.975 9.557 1.00 10.00 N ATOM 677 CA GLU A 43 6.245 0.624 9.161 1.00 10.00 C ATOM 678 C GLU A 43 4.829 0.314 9.630 1.00 10.00 C ATOM 679 O GLU A 43 4.002 -0.178 8.863 1.00 10.00 O ATOM 680 CB GLU A 43 7.286 -0.372 9.724 1.00 10.00 C ATOM 681 CG GLU A 43 7.357 -0.615 11.245 1.00 10.00 C ATOM 682 CD GLU A 43 7.698 0.615 12.073 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.815 1.501 12.128 1.00 10.00 O ATOM 684 OE2 GLU A 43 8.819 0.657 12.615 1.00 10.00 O ATOM 0 H GLU A 43 7.208 1.999 10.362 1.00 10.00 H new ATOM 0 HA GLU A 43 6.272 0.525 8.076 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.108 -1.336 9.247 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.270 -0.034 9.401 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.397 -1.007 11.581 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.102 -1.386 11.441 1.00 10.00 H new ATOM 691 N ALA A 44 4.556 0.613 10.902 1.00 10.00 N ATOM 692 CA ALA A 44 3.330 0.252 11.588 1.00 10.00 C ATOM 693 C ALA A 44 2.108 0.701 10.793 1.00 10.00 C ATOM 694 O ALA A 44 1.207 -0.097 10.548 1.00 10.00 O ATOM 695 CB ALA A 44 3.338 0.843 13.000 1.00 10.00 C ATOM 0 H ALA A 44 5.207 1.129 11.494 1.00 10.00 H new ATOM 0 HA ALA A 44 3.272 -0.833 11.672 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.416 0.571 13.514 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.191 0.451 13.554 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.412 1.929 12.940 1.00 10.00 H new ATOM 701 N VAL A 45 2.082 1.963 10.359 1.00 10.00 N ATOM 702 CA VAL A 45 0.967 2.510 9.608 1.00 10.00 C ATOM 703 C VAL A 45 0.704 1.698 8.334 1.00 10.00 C ATOM 704 O VAL A 45 -0.437 1.332 8.049 1.00 10.00 O ATOM 705 CB VAL A 45 1.159 4.013 9.370 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.379 4.777 10.681 1.00 10.00 C ATOM 707 CG2 VAL A 45 2.319 4.304 8.429 1.00 10.00 C ATOM 0 H VAL A 45 2.837 2.629 10.522 1.00 10.00 H new ATOM 0 HA VAL A 45 0.056 2.417 10.199 1.00 10.00 H new ATOM 0 HB VAL A 45 0.235 4.357 8.906 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.511 5.838 10.466 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.514 4.643 11.330 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.270 4.395 11.180 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.415 5.381 8.292 1.00 10.00 H new ATOM 0 HG22 VAL A 45 3.241 3.909 8.855 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.133 3.831 7.465 1.00 10.00 H new ATOM 717 N LEU A 46 1.753 1.389 7.570 1.00 10.00 N ATOM 718 CA LEU A 46 1.611 0.606 6.353 1.00 10.00 C ATOM 719 C LEU A 46 1.152 -0.806 6.703 1.00 10.00 C ATOM 720 O LEU A 46 0.253 -1.338 6.063 1.00 10.00 O ATOM 721 CB LEU A 46 2.933 0.577 5.572 1.00 10.00 C ATOM 722 CG LEU A 46 3.076 1.729 4.564 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.516 1.787 4.042 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.155 1.517 3.358 1.00 10.00 C ATOM 0 H LEU A 46 2.711 1.672 7.778 1.00 10.00 H new ATOM 0 HA LEU A 46 0.859 1.070 5.715 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.763 0.617 6.277 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.011 -0.372 5.041 1.00 10.00 H new ATOM 0 HG LEU A 46 2.809 2.653 5.077 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.612 2.605 3.328 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.199 1.951 4.876 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.763 0.846 3.551 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.274 2.345 2.659 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.415 0.582 2.861 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.119 1.473 3.695 1.00 10.00 H new ATOM 736 N ARG A 47 1.761 -1.415 7.720 1.00 10.00 N ATOM 737 CA ARG A 47 1.489 -2.793 8.098 1.00 10.00 C ATOM 738 C ARG A 47 0.045 -2.937 8.581 1.00 10.00 C ATOM 739 O ARG A 47 -0.608 -3.938 8.304 1.00 10.00 O ATOM 740 CB ARG A 47 2.518 -3.243 9.139 1.00 10.00 C ATOM 741 CG ARG A 47 2.342 -4.725 9.498 1.00 10.00 C ATOM 742 CD ARG A 47 3.614 -5.269 10.156 1.00 10.00 C ATOM 743 NE ARG A 47 4.685 -5.454 9.160 1.00 10.00 N ATOM 744 CZ ARG A 47 5.924 -5.894 9.433 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.280 -6.129 10.701 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.799 -6.095 8.440 1.00 10.00 N ATOM 0 H ARG A 47 2.461 -0.959 8.306 1.00 10.00 H new ATOM 0 HA ARG A 47 1.589 -3.450 7.234 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.524 -3.078 8.753 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.418 -2.635 10.038 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.495 -4.844 10.174 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.115 -5.299 8.600 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.949 -4.581 10.932 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.398 -6.219 10.644 1.00 10.00 H new ATOM 0 HE ARG A 47 4.468 -5.231 8.189 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.611 -5.974 11.456 1.00 10.00 H new ATOM 0 HH12 ARG A 47 7.220 -6.463 10.913 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.525 -5.914 7.474 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.740 -6.429 8.649 1.00 10.00 H new ATOM 760 N ALA A 48 -0.453 -1.924 9.287 1.00 10.00 N ATOM 761 CA ALA A 48 -1.829 -1.839 9.740 1.00 10.00 C ATOM 762 C ALA A 48 -2.789 -1.779 8.548 1.00 10.00 C ATOM 763 O ALA A 48 -3.749 -2.541 8.486 1.00 10.00 O ATOM 764 CB ALA A 48 -1.955 -0.607 10.635 1.00 10.00 C ATOM 0 H ALA A 48 0.110 -1.120 9.565 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.099 -2.728 10.310 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.982 -0.519 10.990 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.283 -0.706 11.488 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.690 0.284 10.066 1.00 10.00 H new ATOM 770 N GLN A 49 -2.534 -0.871 7.602 1.00 10.00 N ATOM 771 CA GLN A 49 -3.342 -0.713 6.400 1.00 10.00 C ATOM 772 C GLN A 49 -3.128 -1.850 5.389 1.00 10.00 C ATOM 773 O GLN A 49 -3.901 -1.990 4.443 1.00 10.00 O ATOM 774 CB GLN A 49 -3.016 0.659 5.798 1.00 10.00 C ATOM 775 CG GLN A 49 -3.982 1.734 6.309 1.00 10.00 C ATOM 776 CD GLN A 49 -4.133 1.820 7.828 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.237 1.735 8.352 1.00 10.00 O ATOM 778 NE2 GLN A 49 -3.044 2.016 8.561 1.00 10.00 N ATOM 0 H GLN A 49 -1.751 -0.220 7.654 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.398 -0.767 6.663 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.993 0.936 6.052 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.071 0.604 4.711 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.646 2.703 5.940 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.964 1.550 5.874 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.131 2.085 8.110 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.120 2.098 9.575 1.00 10.00 H new ATOM 787 N ALA A 50 -2.067 -2.641 5.555 1.00 10.00 N ATOM 788 CA ALA A 50 -1.759 -3.750 4.669 1.00 10.00 C ATOM 789 C ALA A 50 -2.951 -4.702 4.528 1.00 10.00 C ATOM 790 O ALA A 50 -3.548 -5.102 5.525 1.00 10.00 O ATOM 791 CB ALA A 50 -0.535 -4.507 5.177 1.00 10.00 C ATOM 0 H ALA A 50 -1.397 -2.524 6.315 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.541 -3.340 3.683 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.315 -5.336 4.504 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.320 -3.832 5.214 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.735 -4.894 6.176 1.00 10.00 H new ATOM 797 N GLY A 51 -3.271 -5.081 3.290 1.00 10.00 N ATOM 798 CA GLY A 51 -4.294 -6.062 2.968 1.00 10.00 C ATOM 799 C GLY A 51 -5.396 -5.486 2.088 1.00 10.00 C ATOM 800 O GLY A 51 -6.004 -6.230 1.322 1.00 10.00 O ATOM 0 H GLY A 51 -2.809 -4.700 2.464 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.833 -6.910 2.460 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.732 -6.443 3.891 1.00 10.00 H new ATOM 804 N GLY A 52 -5.651 -4.175 2.151 1.00 10.00 N ATOM 805 CA GLY A 52 -6.688 -3.568 1.334 1.00 10.00 C ATOM 806 C GLY A 52 -7.293 -2.357 2.024 1.00 10.00 C ATOM 807 O GLY A 52 -6.814 -1.952 3.079 1.00 10.00 O ATOM 0 H GLY A 52 -5.153 -3.524 2.758 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.270 -3.271 0.372 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.469 -4.301 1.129 1.00 10.00 H new ATOM 811 N ASP A 53 -8.328 -1.794 1.389 1.00 10.00 N ATOM 812 CA ASP A 53 -9.082 -0.615 1.804 1.00 10.00 C ATOM 813 C ASP A 53 -8.246 0.378 2.618 1.00 10.00 C ATOM 814 O ASP A 53 -8.554 0.689 3.766 1.00 10.00 O ATOM 815 CB ASP A 53 -10.371 -1.028 2.528 1.00 10.00 C ATOM 816 CG ASP A 53 -11.285 0.170 2.777 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.104 1.189 2.071 1.00 10.00 O ATOM 818 OD2 ASP A 53 -12.171 0.031 3.647 1.00 10.00 O ATOM 0 H ASP A 53 -8.681 -2.180 0.513 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.362 -0.075 0.899 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.900 -1.773 1.933 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.120 -1.499 3.479 1.00 10.00 H new ATOM 823 N ALA A 54 -7.166 0.875 2.006 1.00 10.00 N ATOM 824 CA ALA A 54 -6.327 1.900 2.608 1.00 10.00 C ATOM 825 C ALA A 54 -6.387 3.179 1.789 1.00 10.00 C ATOM 826 O ALA A 54 -5.629 4.106 2.057 1.00 10.00 O ATOM 827 CB ALA A 54 -4.890 1.403 2.705 1.00 10.00 C ATOM 0 H ALA A 54 -6.855 0.575 1.082 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.696 2.114 3.611 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.268 2.175 3.157 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.857 0.504 3.321 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.516 1.173 1.707 1.00 10.00 H new ATOM 833 N THR A 55 -7.270 3.244 0.789 1.00 10.00 N ATOM 834 CA THR A 55 -7.422 4.433 -0.029 1.00 10.00 C ATOM 835 C THR A 55 -7.811 5.598 0.883 1.00 10.00 C ATOM 836 O THR A 55 -7.167 6.645 0.877 1.00 10.00 O ATOM 837 CB THR A 55 -8.449 4.154 -1.136 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.050 3.034 -1.910 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.561 5.350 -2.081 1.00 10.00 C ATOM 0 H THR A 55 -7.891 2.477 0.531 1.00 10.00 H new ATOM 0 HA THR A 55 -6.492 4.705 -0.528 1.00 10.00 H new ATOM 0 HB THR A 55 -9.407 3.963 -0.652 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.486 2.445 -1.367 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.294 5.132 -2.858 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.878 6.229 -1.520 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.591 5.543 -2.540 1.00 10.00 H new ATOM 847 N ALA A 56 -8.832 5.383 1.718 1.00 10.00 N ATOM 848 CA ALA A 56 -9.292 6.382 2.667 1.00 10.00 C ATOM 849 C ALA A 56 -8.149 6.831 3.575 1.00 10.00 C ATOM 850 O ALA A 56 -7.916 8.025 3.711 1.00 10.00 O ATOM 851 CB ALA A 56 -10.466 5.825 3.477 1.00 10.00 C ATOM 0 H ALA A 56 -9.358 4.510 1.749 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.638 7.260 2.122 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.808 6.578 4.187 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.282 5.565 2.803 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.145 4.935 4.018 1.00 10.00 H new ATOM 857 N ASN A 57 -7.422 5.892 4.186 1.00 10.00 N ATOM 858 CA ASN A 57 -6.308 6.225 5.069 1.00 10.00 C ATOM 859 C ASN A 57 -5.248 7.037 4.325 1.00 10.00 C ATOM 860 O ASN A 57 -4.857 8.112 4.780 1.00 10.00 O ATOM 861 CB ASN A 57 -5.694 4.954 5.663 1.00 10.00 C ATOM 862 CG ASN A 57 -6.680 4.232 6.569 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.489 3.447 6.090 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.631 4.495 7.872 1.00 10.00 N ATOM 0 H ASN A 57 -7.588 4.891 4.083 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.693 6.836 5.885 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.382 4.288 4.858 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.799 5.211 6.229 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.282 4.036 8.510 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.943 5.155 8.233 1.00 10.00 H new ATOM 871 N PHE A 58 -4.789 6.517 3.182 1.00 10.00 N ATOM 872 CA PHE A 58 -3.812 7.172 2.318 1.00 10.00 C ATOM 873 C PHE A 58 -4.196 8.629 2.046 1.00 10.00 C ATOM 874 O PHE A 58 -3.359 9.524 2.180 1.00 10.00 O ATOM 875 CB PHE A 58 -3.685 6.384 1.010 1.00 10.00 C ATOM 876 CG PHE A 58 -2.661 6.937 0.039 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.041 7.891 -0.923 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.345 6.444 0.047 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.111 8.345 -1.872 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.415 6.892 -0.907 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.800 7.836 -1.874 1.00 10.00 C ATOM 0 H PHE A 58 -5.095 5.611 2.828 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.847 7.185 2.824 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.423 5.353 1.246 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.658 6.361 0.519 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.050 8.275 -0.931 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.047 5.718 0.789 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.403 9.086 -2.601 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.595 6.511 -0.897 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.091 8.170 -2.617 1.00 10.00 H new ATOM 891 N GLU A 59 -5.458 8.857 1.671 1.00 10.00 N ATOM 892 CA GLU A 59 -5.975 10.186 1.378 1.00 10.00 C ATOM 893 C GLU A 59 -6.184 11.020 2.646 1.00 10.00 C ATOM 894 O GLU A 59 -6.015 12.236 2.613 1.00 10.00 O ATOM 895 CB GLU A 59 -7.271 10.060 0.574 1.00 10.00 C ATOM 896 CG GLU A 59 -7.021 9.438 -0.807 1.00 10.00 C ATOM 897 CD GLU A 59 -6.328 10.409 -1.761 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.078 10.444 -1.748 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.069 11.110 -2.483 1.00 10.00 O ATOM 0 H GLU A 59 -6.150 8.116 1.563 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.233 10.719 0.783 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.984 9.448 1.126 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.723 11.045 0.454 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.409 8.543 -0.695 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.971 9.123 -1.239 1.00 10.00 H new ATOM 906 N ALA A 60 -6.563 10.386 3.759 1.00 10.00 N ATOM 907 CA ALA A 60 -6.805 11.067 5.024 1.00 10.00 C ATOM 908 C ALA A 60 -5.544 11.792 5.481 1.00 10.00 C ATOM 909 O ALA A 60 -5.613 12.954 5.874 1.00 10.00 O ATOM 910 CB ALA A 60 -7.291 10.083 6.092 1.00 10.00 C ATOM 0 H ALA A 60 -6.710 9.378 3.803 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.592 11.806 4.874 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.464 10.617 7.027 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.220 9.618 5.762 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.535 9.313 6.248 1.00 10.00 H new ATOM 916 N VAL A 61 -4.391 11.115 5.418 1.00 10.00 N ATOM 917 CA VAL A 61 -3.122 11.815 5.580 1.00 10.00 C ATOM 918 C VAL A 61 -2.864 12.699 4.356 1.00 10.00 C ATOM 919 O VAL A 61 -2.509 13.868 4.496 1.00 10.00 O ATOM 920 CB VAL A 61 -1.967 10.846 5.892 1.00 10.00 C ATOM 921 CG1 VAL A 61 -1.738 9.756 4.841 1.00 10.00 C ATOM 922 CG2 VAL A 61 -0.661 11.628 6.071 1.00 10.00 C ATOM 0 H VAL A 61 -4.315 10.110 5.260 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.182 12.469 6.450 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.266 10.338 6.809 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -0.905 9.124 5.148 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.638 9.149 4.744 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -1.508 10.219 3.881 1.00 10.00 H new ATOM 0 HG21 VAL A 61 0.151 10.935 6.291 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -0.434 12.173 5.154 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -0.769 12.334 6.895 1.00 10.00 H new ATOM 932 N GLY A 62 -3.041 12.141 3.157 1.00 10.00 N ATOM 933 CA GLY A 62 -2.650 12.790 1.922 1.00 10.00 C ATOM 934 C GLY A 62 -1.174 12.510 1.652 1.00 10.00 C ATOM 935 O GLY A 62 -0.421 12.147 2.553 1.00 10.00 O ATOM 0 H GLY A 62 -3.462 11.222 3.024 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.259 12.423 1.096 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.822 13.864 1.992 1.00 10.00 H new ATOM 939 N HIS A 63 -0.770 12.636 0.391 1.00 10.00 N ATOM 940 CA HIS A 63 0.563 12.307 -0.080 1.00 10.00 C ATOM 941 C HIS A 63 0.882 13.297 -1.200 1.00 10.00 C ATOM 942 O HIS A 63 -0.007 13.633 -1.982 1.00 10.00 O ATOM 943 CB HIS A 63 0.564 10.848 -0.560 1.00 10.00 C ATOM 944 CG HIS A 63 0.634 9.838 0.565 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.406 9.341 1.325 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.782 9.249 1.015 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.126 8.471 2.207 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.461 8.370 2.055 1.00 10.00 N ATOM 0 H HIS A 63 -1.382 12.980 -0.349 1.00 10.00 H new ATOM 0 HA HIS A 63 1.325 12.388 0.695 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.338 10.666 -1.144 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.412 10.695 -1.227 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.392 9.586 1.236 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.775 9.432 0.631 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.446 7.924 2.942 1.00 10.00 H new ATOM 956 N SER A 64 2.110 13.815 -1.249 1.00 10.00 N ATOM 957 CA SER A 64 2.504 14.836 -2.210 1.00 10.00 C ATOM 958 C SER A 64 2.678 14.237 -3.607 1.00 10.00 C ATOM 959 O SER A 64 2.526 13.038 -3.821 1.00 10.00 O ATOM 960 CB SER A 64 3.777 15.548 -1.731 1.00 10.00 C ATOM 961 OG SER A 64 4.051 16.661 -2.571 1.00 10.00 O ATOM 0 H SER A 64 2.860 13.534 -0.618 1.00 10.00 H new ATOM 0 HA SER A 64 1.709 15.579 -2.279 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.653 15.880 -0.700 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.619 14.855 -1.743 1.00 10.00 H new ATOM 0 HG SER A 64 3.216 17.133 -2.772 1.00 10.00 H new ATOM 967 N THR A 65 3.004 15.086 -4.578 1.00 10.00 N ATOM 968 CA THR A 65 3.181 14.698 -5.970 1.00 10.00 C ATOM 969 C THR A 65 4.263 13.629 -6.092 1.00 10.00 C ATOM 970 O THR A 65 3.992 12.530 -6.569 1.00 10.00 O ATOM 971 CB THR A 65 3.531 15.939 -6.804 1.00 10.00 C ATOM 972 OG1 THR A 65 4.610 16.634 -6.204 1.00 10.00 O ATOM 973 CG2 THR A 65 2.333 16.884 -6.928 1.00 10.00 C ATOM 0 H THR A 65 3.155 16.081 -4.414 1.00 10.00 H new ATOM 0 HA THR A 65 2.252 14.272 -6.349 1.00 10.00 H new ATOM 0 HB THR A 65 3.811 15.601 -7.802 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.830 17.424 -6.741 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.614 17.752 -7.524 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.507 16.363 -7.413 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.023 17.211 -5.935 1.00 10.00 H new ATOM 981 N ASP A 66 5.468 13.955 -5.624 1.00 10.00 N ATOM 982 CA ASP A 66 6.592 13.033 -5.512 1.00 10.00 C ATOM 983 C ASP A 66 6.122 11.681 -4.995 1.00 10.00 C ATOM 984 O ASP A 66 6.283 10.665 -5.652 1.00 10.00 O ATOM 985 CB ASP A 66 7.608 13.624 -4.534 1.00 10.00 C ATOM 986 CG ASP A 66 8.868 12.773 -4.480 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.802 11.714 -3.820 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.864 13.198 -5.101 1.00 10.00 O ATOM 0 H ASP A 66 5.693 14.897 -5.303 1.00 10.00 H new ATOM 0 HA ASP A 66 7.044 12.891 -6.494 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.863 14.639 -4.838 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.166 13.690 -3.540 1.00 10.00 H new ATOM 993 N ALA A 67 5.467 11.694 -3.839 1.00 10.00 N ATOM 994 CA ALA A 67 4.951 10.495 -3.195 1.00 10.00 C ATOM 995 C ALA A 67 3.954 9.750 -4.090 1.00 10.00 C ATOM 996 O ALA A 67 4.021 8.529 -4.214 1.00 10.00 O ATOM 997 CB ALA A 67 4.332 10.853 -1.846 1.00 10.00 C ATOM 0 H ALA A 67 5.278 12.550 -3.317 1.00 10.00 H new ATOM 0 HA ALA A 67 5.785 9.814 -3.025 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.948 9.950 -1.371 1.00 10.00 H new ATOM 0 HB2 ALA A 67 5.090 11.306 -1.207 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.515 11.559 -1.996 1.00 10.00 H new ATOM 1003 N ARG A 68 3.027 10.472 -4.723 1.00 10.00 N ATOM 1004 CA ARG A 68 2.037 9.920 -5.643 1.00 10.00 C ATOM 1005 C ARG A 68 2.716 9.305 -6.869 1.00 10.00 C ATOM 1006 O ARG A 68 2.199 8.354 -7.451 1.00 10.00 O ATOM 1007 CB ARG A 68 1.045 11.016 -6.062 1.00 10.00 C ATOM 1008 CG ARG A 68 0.121 11.400 -4.900 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.545 12.773 -5.057 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.626 12.790 -6.056 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.539 13.280 -7.302 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -0.341 13.521 -7.845 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -2.655 13.530 -7.997 1.00 10.00 N ATOM 0 H ARG A 68 2.944 11.482 -4.605 1.00 10.00 H new ATOM 0 HA ARG A 68 1.490 9.127 -5.133 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.592 11.896 -6.401 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.448 10.667 -6.905 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.655 10.641 -4.801 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.696 11.391 -3.974 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.947 13.086 -4.093 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.212 13.505 -5.339 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.523 12.393 -5.775 1.00 10.00 H new ATOM 0 HH11 ARG A 68 0.508 13.332 -7.312 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -0.276 13.893 -8.792 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.568 13.348 -7.579 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -2.593 13.903 -8.945 1.00 10.00 H new ATOM 1027 N GLU A 69 3.869 9.840 -7.269 1.00 10.00 N ATOM 1028 CA GLU A 69 4.653 9.295 -8.363 1.00 10.00 C ATOM 1029 C GLU A 69 5.414 8.056 -7.876 1.00 10.00 C ATOM 1030 O GLU A 69 5.368 7.001 -8.507 1.00 10.00 O ATOM 1031 CB GLU A 69 5.534 10.416 -8.922 1.00 10.00 C ATOM 1032 CG GLU A 69 4.714 11.373 -9.805 1.00 10.00 C ATOM 1033 CD GLU A 69 4.232 10.728 -11.100 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.072 10.482 -11.987 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.012 10.466 -11.194 1.00 10.00 O ATOM 0 H GLU A 69 4.282 10.667 -6.838 1.00 10.00 H new ATOM 0 HA GLU A 69 4.032 8.945 -9.188 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.987 10.971 -8.101 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.349 9.987 -9.504 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.852 11.729 -9.241 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.321 12.246 -10.045 1.00 10.00 H new ATOM 1042 N LEU A 70 6.044 8.159 -6.707 1.00 10.00 N ATOM 1043 CA LEU A 70 6.749 7.096 -6.012 1.00 10.00 C ATOM 1044 C LEU A 70 5.848 5.866 -5.924 1.00 10.00 C ATOM 1045 O LEU A 70 6.208 4.798 -6.404 1.00 10.00 O ATOM 1046 CB LEU A 70 7.253 7.641 -4.663 1.00 10.00 C ATOM 1047 CG LEU A 70 8.110 6.746 -3.760 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.755 5.616 -4.531 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.163 7.571 -3.015 1.00 10.00 C ATOM 0 H LEU A 70 6.075 9.040 -6.194 1.00 10.00 H new ATOM 0 HA LEU A 70 7.636 6.764 -6.552 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.829 8.543 -4.870 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.379 7.945 -4.087 1.00 10.00 H new ATOM 0 HG LEU A 70 7.443 6.295 -3.025 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.353 5.007 -3.853 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.981 4.998 -4.987 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.397 6.027 -5.310 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.758 6.914 -2.381 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.813 8.067 -3.736 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.668 8.320 -2.397 1.00 10.00 H new ATOM 1061 N SER A 71 4.641 6.038 -5.391 1.00 10.00 N ATOM 1062 CA SER A 71 3.545 5.072 -5.479 1.00 10.00 C ATOM 1063 C SER A 71 3.602 4.249 -6.775 1.00 10.00 C ATOM 1064 O SER A 71 3.684 3.026 -6.717 1.00 10.00 O ATOM 1065 CB SER A 71 2.180 5.758 -5.340 1.00 10.00 C ATOM 1066 OG SER A 71 2.113 6.560 -4.178 1.00 10.00 O ATOM 0 H SER A 71 4.389 6.878 -4.870 1.00 10.00 H new ATOM 0 HA SER A 71 3.670 4.383 -4.644 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.992 6.375 -6.219 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.395 5.003 -5.306 1.00 10.00 H new ATOM 0 HG SER A 71 2.692 7.343 -4.287 1.00 10.00 H new ATOM 1072 N LYS A 72 3.602 4.898 -7.946 1.00 10.00 N ATOM 1073 CA LYS A 72 3.590 4.192 -9.225 1.00 10.00 C ATOM 1074 C LYS A 72 4.780 3.233 -9.362 1.00 10.00 C ATOM 1075 O LYS A 72 4.643 2.145 -9.910 1.00 10.00 O ATOM 1076 CB LYS A 72 3.548 5.168 -10.406 1.00 10.00 C ATOM 1077 CG LYS A 72 2.365 6.140 -10.326 1.00 10.00 C ATOM 1078 CD LYS A 72 2.337 6.989 -11.601 1.00 10.00 C ATOM 1079 CE LYS A 72 1.193 8.009 -11.565 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.383 9.052 -12.591 1.00 10.00 N ATOM 0 H LYS A 72 3.610 5.915 -8.030 1.00 10.00 H new ATOM 0 HA LYS A 72 2.678 3.595 -9.244 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.478 5.735 -10.437 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.488 4.604 -11.337 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.431 5.589 -10.219 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.461 6.780 -9.449 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.288 7.509 -11.715 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.222 6.341 -12.470 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.243 7.501 -11.729 1.00 10.00 H new ATOM 0 HE3 LYS A 72 1.142 8.469 -10.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.462 9.305 -13.003 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.810 9.894 -12.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.010 8.693 -13.339 1.00 10.00 H new ATOM 1094 N THR A 73 5.937 3.602 -8.819 1.00 10.00 N ATOM 1095 CA THR A 73 7.149 2.789 -8.833 1.00 10.00 C ATOM 1096 C THR A 73 6.992 1.507 -7.998 1.00 10.00 C ATOM 1097 O THR A 73 7.808 0.598 -8.128 1.00 10.00 O ATOM 1098 CB THR A 73 8.344 3.661 -8.396 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.421 4.788 -9.251 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.693 2.938 -8.431 1.00 10.00 C ATOM 0 H THR A 73 6.060 4.497 -8.345 1.00 10.00 H new ATOM 0 HA THR A 73 7.340 2.439 -9.847 1.00 10.00 H new ATOM 0 HB THR A 73 8.160 3.937 -7.358 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.176 5.352 -8.982 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.480 3.620 -8.110 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.663 2.078 -7.762 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.898 2.600 -9.447 1.00 10.00 H new ATOM 1108 N PHE A 74 5.935 1.403 -7.182 1.00 10.00 N ATOM 1109 CA PHE A 74 5.604 0.207 -6.418 1.00 10.00 C ATOM 1110 C PHE A 74 4.316 -0.433 -6.941 1.00 10.00 C ATOM 1111 O PHE A 74 3.835 -1.396 -6.345 1.00 10.00 O ATOM 1112 CB PHE A 74 5.460 0.569 -4.933 1.00 10.00 C ATOM 1113 CG PHE A 74 6.770 0.868 -4.233 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.674 -0.184 -3.994 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.053 2.158 -3.745 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.868 0.054 -3.295 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.226 2.384 -3.001 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.145 1.340 -2.804 1.00 10.00 C ATOM 0 H PHE A 74 5.276 2.168 -7.036 1.00 10.00 H new ATOM 0 HA PHE A 74 6.409 -0.519 -6.533 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.808 1.438 -4.845 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.966 -0.254 -4.417 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.448 -1.178 -4.350 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.371 2.972 -3.941 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.571 -0.750 -3.135 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.420 3.360 -2.581 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.067 1.527 -2.274 1.00 10.00 H new ATOM 1128 N ILE A 75 3.729 0.093 -8.023 1.00 10.00 N ATOM 1129 CA ILE A 75 2.506 -0.479 -8.573 1.00 10.00 C ATOM 1130 C ILE A 75 2.822 -1.890 -9.095 1.00 10.00 C ATOM 1131 O ILE A 75 3.817 -2.075 -9.794 1.00 10.00 O ATOM 1132 CB ILE A 75 1.924 0.472 -9.643 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.392 0.578 -9.634 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.437 0.177 -11.059 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.316 -0.735 -9.911 1.00 10.00 C ATOM 0 H ILE A 75 4.082 0.907 -8.527 1.00 10.00 H new ATOM 0 HA ILE A 75 1.731 -0.583 -7.813 1.00 10.00 H new ATOM 0 HB ILE A 75 2.304 1.450 -9.346 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.069 0.956 -8.664 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.084 1.310 -10.380 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.990 0.880 -11.762 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.522 0.281 -11.082 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.164 -0.840 -11.340 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.394 -0.579 -9.888 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.024 -1.106 -10.894 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.039 -1.465 -9.151 1.00 10.00 H new ATOM 1147 N ILE A 76 2.001 -2.887 -8.751 1.00 10.00 N ATOM 1148 CA ILE A 76 2.185 -4.272 -9.198 1.00 10.00 C ATOM 1149 C ILE A 76 1.024 -4.776 -10.058 1.00 10.00 C ATOM 1150 O ILE A 76 1.117 -5.843 -10.667 1.00 10.00 O ATOM 1151 CB ILE A 76 2.390 -5.185 -7.984 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.300 -4.937 -6.927 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.798 -4.969 -7.415 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.178 -6.103 -5.956 1.00 10.00 C ATOM 0 H ILE A 76 1.186 -2.756 -8.152 1.00 10.00 H new ATOM 0 HA ILE A 76 3.072 -4.295 -9.830 1.00 10.00 H new ATOM 0 HB ILE A 76 2.302 -6.227 -8.293 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.530 -4.026 -6.374 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.343 -4.775 -7.423 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.945 -5.618 -6.552 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.539 -5.207 -8.178 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.912 -3.929 -7.111 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.398 -5.888 -5.226 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.922 -7.009 -6.505 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.127 -6.248 -5.440 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.089 -4.047 -10.071 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.298 -4.383 -10.787 1.00 10.00 C ATOM 1168 C GLY A 77 -2.447 -3.709 -10.066 1.00 10.00 C ATOM 1169 O GLY A 77 -2.246 -2.934 -9.131 1.00 10.00 O ATOM 0 H GLY A 77 -0.167 -3.169 -9.558 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.240 -4.043 -11.821 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.441 -5.463 -10.814 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.651 -4.020 -10.515 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.863 -3.349 -10.130 1.00 10.00 C ATOM 1175 C GLU A 78 -5.806 -4.311 -9.413 1.00 10.00 C ATOM 1176 O GLU A 78 -5.629 -5.531 -9.405 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.500 -2.694 -11.366 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.007 -1.260 -11.629 1.00 10.00 C ATOM 1179 CD GLU A 78 -3.792 -1.158 -12.542 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -3.713 -1.968 -13.490 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -2.988 -0.233 -12.297 1.00 10.00 O ATOM 0 H GLU A 78 -3.808 -4.776 -11.182 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.639 -2.555 -9.418 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.288 -3.308 -12.241 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.583 -2.679 -11.241 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.823 -0.686 -12.068 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.766 -0.793 -10.674 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.818 -3.725 -8.785 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.859 -4.441 -8.087 1.00 10.00 C ATOM 1190 C LEU A 79 -8.705 -5.222 -9.091 1.00 10.00 C ATOM 1191 O LEU A 79 -9.134 -4.674 -10.109 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.717 -3.408 -7.365 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.922 -4.033 -6.657 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.485 -4.834 -5.428 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.871 -2.911 -6.261 1.00 10.00 C ATOM 0 H LEU A 79 -6.933 -2.712 -8.751 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.436 -5.149 -7.374 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.105 -2.880 -6.634 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.067 -2.666 -8.083 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.424 -4.729 -7.329 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.361 -5.266 -4.945 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.809 -5.632 -5.735 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.973 -4.175 -4.727 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.740 -3.331 -5.754 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.359 -2.220 -5.591 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.196 -2.377 -7.154 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.995 -6.484 -8.782 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.860 -7.320 -9.604 1.00 10.00 C ATOM 1209 C HIS A 80 -11.217 -6.647 -9.822 1.00 10.00 C ATOM 1210 O HIS A 80 -11.829 -6.174 -8.866 1.00 10.00 O ATOM 1211 CB HIS A 80 -10.015 -8.699 -8.960 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.285 -9.801 -9.946 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.516 -10.307 -10.280 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.345 -10.504 -10.651 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.325 -11.280 -11.181 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -10.017 -11.435 -11.448 1.00 10.00 N ATOM 0 H HIS A 80 -8.635 -6.955 -7.952 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.401 -7.450 -10.584 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -9.107 -8.935 -8.405 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.830 -8.663 -8.237 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.275 -10.364 -10.600 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -12.116 -11.861 -11.632 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.599 -12.098 -12.101 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.725 -6.606 -11.062 1.00 10.00 N ATOM 1225 CA PRO A 81 -13.015 -6.000 -11.347 1.00 10.00 C ATOM 1226 C PRO A 81 -14.180 -6.740 -10.677 1.00 10.00 C ATOM 1227 O PRO A 81 -15.288 -6.217 -10.674 1.00 10.00 O ATOM 1228 CB PRO A 81 -13.130 -5.986 -12.872 1.00 10.00 C ATOM 1229 CG PRO A 81 -12.250 -7.159 -13.302 1.00 10.00 C ATOM 1230 CD PRO A 81 -11.125 -7.138 -12.275 1.00 10.00 C ATOM 0 HA PRO A 81 -13.075 -4.993 -10.935 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -14.162 -6.116 -13.199 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.779 -5.044 -13.293 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.797 -8.102 -13.283 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.873 -7.030 -14.316 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.724 -8.138 -12.110 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.297 -6.514 -12.611 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.942 -7.924 -10.095 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.955 -8.641 -9.322 1.00 10.00 C ATOM 1240 C ASP A 82 -15.292 -7.884 -8.032 1.00 10.00 C ATOM 1241 O ASP A 82 -16.434 -7.880 -7.584 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.447 -10.053 -9.009 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.482 -10.874 -8.256 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.455 -11.292 -8.917 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.240 -11.114 -7.055 1.00 10.00 O ATOM 0 H ASP A 82 -13.045 -8.406 -10.149 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.870 -8.713 -9.910 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -14.188 -10.560 -9.938 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.534 -9.987 -8.416 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.279 -7.237 -7.443 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.428 -6.486 -6.198 1.00 10.00 C ATOM 1252 C ASP A 83 -15.221 -5.184 -6.406 1.00 10.00 C ATOM 1253 O ASP A 83 -15.922 -4.734 -5.503 1.00 10.00 O ATOM 1254 CB ASP A 83 -13.036 -6.211 -5.619 1.00 10.00 C ATOM 1255 CG ASP A 83 -13.105 -5.499 -4.274 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.124 -6.225 -3.259 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -13.076 -4.250 -4.279 1.00 10.00 O ATOM 0 H ASP A 83 -13.332 -7.222 -7.820 1.00 10.00 H new ATOM 0 HA ASP A 83 -15.004 -7.081 -5.489 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.500 -7.153 -5.503 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.465 -5.604 -6.321 1.00 10.00 H new ATOM 1262 N ARG A 84 -15.073 -4.577 -7.590 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.638 -3.272 -7.922 1.00 10.00 C ATOM 1264 C ARG A 84 -17.169 -3.258 -7.877 1.00 10.00 C ATOM 1265 O ARG A 84 -17.772 -4.254 -8.332 1.00 10.00 O ATOM 1266 CB ARG A 84 -15.166 -2.834 -9.321 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.500 -1.457 -9.327 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.074 -1.521 -8.763 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.172 -2.386 -9.552 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.581 -2.028 -10.704 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.917 -0.871 -11.284 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.661 -2.811 -11.275 1.00 10.00 N ATOM 0 H ARG A 84 -14.545 -4.992 -8.358 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.282 -2.574 -7.164 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.464 -3.572 -9.708 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.020 -2.821 -9.998 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.473 -1.069 -10.345 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.095 -0.761 -8.736 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.660 -0.513 -8.726 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.112 -1.888 -7.737 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.985 -3.323 -9.196 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.617 -0.268 -10.852 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.473 -0.591 -12.159 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.399 -3.694 -10.836 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.221 -2.526 -12.150 1.00 10.00 H new