USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 575 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.27) USER MOD Set 2.1: A 64 SER OG : rot 68:sc= 0.437 USER MOD Set 2.2: A 69 ASN : amide:sc= 0.505 X(o=0.94,f=0.51) USER MOD Set 3.1: A 61 TYR OH : rot 30:sc= 0.585 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -175:sc= 0.645 (180deg=0) USER MOD Set 4.1: A 18 CYS SG : rot 27:sc= 0.455 USER MOD Set 4.2: A 55 HIS : no HD1:sc= -0.115 X(o=1.1,f=0.65) USER MOD Set 4.3: A 93 CYS SG : rot -162:sc= 0.234 USER MOD Set 4.4: A 95 CYS SG : rot -141:sc= 0.53 USER MOD Single : A 7 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.101 F(o=-1.2,f=-0.1) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0636 (180deg=-0.442) USER MOD Single : A 16 GLN : amide:sc= 0.089 K(o=0.089,f=-1.2) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.298) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -70:sc= -0.0388! USER MOD Single : A 57 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= -0.0272 (180deg=-0.278) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= -0.221! (180deg=-0.626) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0.588) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.714 (180deg=-1.7!) USER MOD Single : A 86 SER OG : rot -17:sc= 0.00623 USER MOD Single : A 87 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.01) USER MOD Single : A 91 TYR OH : rot 150:sc=0.000108 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0484 F(o=-0.86,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.406 -5.212 0.834 1.00 64.31 N ATOM 60 CA ILE A 5 -5.531 -5.127 1.759 1.00 2.12 C ATOM 61 C ILE A 5 -6.494 -6.288 1.533 1.00 41.40 C ATOM 62 O ILE A 5 -7.158 -6.757 2.460 1.00 22.33 O ATOM 63 CB ILE A 5 -6.269 -3.767 1.609 1.00 61.43 C ATOM 64 CG1 ILE A 5 -6.495 -3.125 2.982 1.00 45.30 C ATOM 65 CG2 ILE A 5 -7.590 -3.909 0.850 1.00 41.32 C ATOM 66 CD1 ILE A 5 -7.259 -3.990 3.958 1.00 51.22 C ATOM 0 HA ILE A 5 -5.143 -5.191 2.776 1.00 2.12 H new ATOM 0 HB ILE A 5 -5.629 -3.112 1.017 1.00 61.43 H new ATOM 0 HG12 ILE A 5 -5.527 -2.876 3.417 1.00 45.30 H new ATOM 0 HG13 ILE A 5 -7.034 -2.188 2.847 1.00 45.30 H new ATOM 0 HG21 ILE A 5 -8.070 -2.934 0.770 1.00 41.32 H new ATOM 0 HG22 ILE A 5 -7.396 -4.301 -0.148 1.00 41.32 H new ATOM 0 HG23 ILE A 5 -8.247 -4.593 1.387 1.00 41.32 H new ATOM 0 HD11 ILE A 5 -7.374 -3.459 4.903 1.00 51.22 H new ATOM 0 HD12 ILE A 5 -8.243 -4.219 3.549 1.00 51.22 H new ATOM 0 HD13 ILE A 5 -6.712 -4.918 4.127 1.00 51.22 H new ATOM 78 N GLU A 6 -6.534 -6.766 0.300 1.00 72.11 N ATOM 79 CA GLU A 6 -7.409 -7.858 -0.072 1.00 65.24 C ATOM 80 C GLU A 6 -7.032 -9.110 0.697 1.00 72.40 C ATOM 81 O GLU A 6 -7.892 -9.882 1.099 1.00 2.22 O ATOM 82 CB GLU A 6 -7.340 -8.121 -1.581 1.00 51.44 C ATOM 83 CG GLU A 6 -7.916 -6.997 -2.438 1.00 41.34 C ATOM 84 CD GLU A 6 -7.073 -5.731 -2.439 1.00 23.43 C ATOM 85 OE1 GLU A 6 -5.894 -5.780 -2.030 1.00 52.32 O ATOM 86 OE2 GLU A 6 -7.589 -4.672 -2.854 1.00 53.12 O ATOM 0 H GLU A 6 -5.963 -6.408 -0.465 1.00 72.11 H new ATOM 0 HA GLU A 6 -8.433 -7.581 0.179 1.00 65.24 H new ATOM 0 HB2 GLU A 6 -6.300 -8.282 -1.863 1.00 51.44 H new ATOM 0 HB3 GLU A 6 -7.877 -9.044 -1.803 1.00 51.44 H new ATOM 0 HG2 GLU A 6 -8.022 -7.352 -3.463 1.00 41.34 H new ATOM 0 HG3 GLU A 6 -8.917 -6.756 -2.079 1.00 41.34 H new ATOM 93 N HIS A 7 -5.742 -9.293 0.925 1.00 32.50 N ATOM 94 CA HIS A 7 -5.276 -10.426 1.704 1.00 1.23 C ATOM 95 C HIS A 7 -5.705 -10.277 3.156 1.00 73.25 C ATOM 96 O HIS A 7 -6.133 -11.241 3.782 1.00 13.42 O ATOM 97 CB HIS A 7 -3.756 -10.569 1.613 1.00 63.31 C ATOM 98 CG HIS A 7 -3.267 -10.901 0.237 1.00 35.21 C ATOM 99 ND1 HIS A 7 -2.051 -10.499 -0.264 1.00 4.34 N ATOM 100 CD2 HIS A 7 -3.857 -11.626 -0.752 1.00 43.20 C ATOM 101 CE1 HIS A 7 -1.938 -10.979 -1.509 1.00 70.41 C ATOM 102 NE2 HIS A 7 -3.007 -11.670 -1.854 1.00 3.43 N ATOM 0 H HIS A 7 -5.004 -8.676 0.584 1.00 32.50 H new ATOM 0 HA HIS A 7 -5.726 -11.329 1.292 1.00 1.23 H new ATOM 0 HB2 HIS A 7 -3.292 -9.639 1.940 1.00 63.31 H new ATOM 0 HB3 HIS A 7 -3.431 -11.348 2.303 1.00 63.31 H new ATOM 0 HD2 HIS A 7 -4.829 -12.093 -0.692 1.00 43.20 H new ATOM 0 HE1 HIS A 7 -1.082 -10.821 -2.148 1.00 70.41 H new ATOM 0 HE2 HIS A 7 -3.176 -12.139 -2.744 1.00 3.43 H new ATOM 110 N LYS A 8 -5.622 -9.054 3.669 1.00 72.14 N ATOM 111 CA LYS A 8 -5.968 -8.782 5.063 1.00 64.41 C ATOM 112 C LYS A 8 -7.435 -9.094 5.324 1.00 62.15 C ATOM 113 O LYS A 8 -7.770 -9.773 6.295 1.00 25.22 O ATOM 114 CB LYS A 8 -5.709 -7.315 5.422 1.00 23.25 C ATOM 115 CG LYS A 8 -4.404 -6.758 4.889 1.00 41.21 C ATOM 116 CD LYS A 8 -3.215 -7.599 5.306 1.00 54.03 C ATOM 117 CE LYS A 8 -1.926 -7.023 4.756 1.00 34.41 C ATOM 118 NZ LYS A 8 -0.753 -7.867 5.098 1.00 51.10 N ATOM 0 H LYS A 8 -5.319 -8.235 3.142 1.00 72.14 H new ATOM 0 HA LYS A 8 -5.338 -9.421 5.682 1.00 64.41 H new ATOM 0 HB2 LYS A 8 -6.531 -6.710 5.039 1.00 23.25 H new ATOM 0 HB3 LYS A 8 -5.717 -7.213 6.507 1.00 23.25 H new ATOM 0 HG2 LYS A 8 -4.449 -6.708 3.801 1.00 41.21 H new ATOM 0 HG3 LYS A 8 -4.271 -5.738 5.250 1.00 41.21 H new ATOM 0 HD2 LYS A 8 -3.162 -7.647 6.394 1.00 54.03 H new ATOM 0 HD3 LYS A 8 -3.343 -8.620 4.948 1.00 54.03 H new ATOM 0 HE2 LYS A 8 -2.003 -6.930 3.673 1.00 34.41 H new ATOM 0 HE3 LYS A 8 -1.779 -6.018 5.153 1.00 34.41 H new ATOM 0 HZ1 LYS A 8 0.109 -7.439 4.704 1.00 51.10 H new ATOM 0 HZ2 LYS A 8 -0.664 -7.935 6.132 1.00 51.10 H new ATOM 0 HZ3 LYS A 8 -0.881 -8.818 4.698 1.00 51.10 H new ATOM 132 N VAL A 9 -8.305 -8.597 4.451 1.00 44.40 N ATOM 133 CA VAL A 9 -9.737 -8.783 4.617 1.00 31.45 C ATOM 134 C VAL A 9 -10.113 -10.259 4.526 1.00 10.05 C ATOM 135 O VAL A 9 -10.989 -10.724 5.253 1.00 12.25 O ATOM 136 CB VAL A 9 -10.542 -7.941 3.602 1.00 65.01 C ATOM 137 CG1 VAL A 9 -10.256 -8.353 2.171 1.00 41.54 C ATOM 138 CG2 VAL A 9 -12.033 -8.007 3.891 1.00 30.42 C ATOM 0 H VAL A 9 -8.041 -8.063 3.623 1.00 44.40 H new ATOM 0 HA VAL A 9 -9.998 -8.430 5.614 1.00 31.45 H new ATOM 0 HB VAL A 9 -10.216 -6.907 3.718 1.00 65.01 H new ATOM 0 HG11 VAL A 9 -10.843 -7.736 1.491 1.00 41.54 H new ATOM 0 HG12 VAL A 9 -9.195 -8.219 1.959 1.00 41.54 H new ATOM 0 HG13 VAL A 9 -10.524 -9.400 2.033 1.00 41.54 H new ATOM 0 HG21 VAL A 9 -12.572 -7.405 3.160 1.00 30.42 H new ATOM 0 HG22 VAL A 9 -12.370 -9.042 3.828 1.00 30.42 H new ATOM 0 HG23 VAL A 9 -12.227 -7.622 4.892 1.00 30.42 H new ATOM 148 N TYR A 10 -9.430 -11.007 3.667 1.00 62.31 N ATOM 149 CA TYR A 10 -9.667 -12.440 3.584 1.00 61.33 C ATOM 150 C TYR A 10 -9.235 -13.107 4.885 1.00 63.44 C ATOM 151 O TYR A 10 -9.926 -13.978 5.402 1.00 64.21 O ATOM 152 CB TYR A 10 -8.896 -13.084 2.425 1.00 35.41 C ATOM 153 CG TYR A 10 -9.198 -12.530 1.045 1.00 75.32 C ATOM 154 CD1 TYR A 10 -10.358 -11.808 0.782 1.00 0.10 C ATOM 155 CD2 TYR A 10 -8.303 -12.730 -0.001 1.00 40.35 C ATOM 156 CE1 TYR A 10 -10.615 -11.307 -0.481 1.00 61.23 C ATOM 157 CE2 TYR A 10 -8.554 -12.230 -1.263 1.00 13.14 C ATOM 158 CZ TYR A 10 -9.709 -11.519 -1.498 1.00 32.11 C ATOM 159 OH TYR A 10 -9.959 -11.018 -2.754 1.00 21.12 O ATOM 0 H TYR A 10 -8.719 -10.651 3.028 1.00 62.31 H new ATOM 0 HA TYR A 10 -10.733 -12.583 3.410 1.00 61.33 H new ATOM 0 HB2 TYR A 10 -7.829 -12.971 2.616 1.00 35.41 H new ATOM 0 HB3 TYR A 10 -9.108 -14.153 2.421 1.00 35.41 H new ATOM 0 HD1 TYR A 10 -11.069 -11.636 1.577 1.00 0.10 H new ATOM 0 HD2 TYR A 10 -7.395 -13.287 0.178 1.00 40.35 H new ATOM 0 HE1 TYR A 10 -11.522 -10.752 -0.670 1.00 61.23 H new ATOM 0 HE2 TYR A 10 -7.847 -12.396 -2.063 1.00 13.14 H new ATOM 0 HH TYR A 10 -9.221 -11.255 -3.354 1.00 21.12 H new ATOM 169 N GLN A 11 -8.108 -12.646 5.423 1.00 53.21 N ATOM 170 CA GLN A 11 -7.448 -13.301 6.560 1.00 14.41 C ATOM 171 C GLN A 11 -8.367 -13.443 7.767 1.00 4.32 C ATOM 172 O GLN A 11 -8.503 -14.530 8.333 1.00 35.24 O ATOM 173 CB GLN A 11 -6.185 -12.534 6.970 1.00 23.11 C ATOM 174 CG GLN A 11 -4.990 -12.796 6.067 1.00 25.22 C ATOM 175 CD GLN A 11 -4.473 -14.221 6.164 1.00 4.11 C ATOM 176 OE1 GLN A 11 -4.564 -14.818 7.344 1.00 2.13 O flip ATOM 177 NE2 GLN A 11 -3.976 -14.778 5.185 1.00 63.50 N flip ATOM 0 H GLN A 11 -7.625 -11.812 5.088 1.00 53.21 H new ATOM 0 HA GLN A 11 -7.179 -14.303 6.225 1.00 14.41 H new ATOM 0 HB2 GLN A 11 -6.403 -11.466 6.969 1.00 23.11 H new ATOM 0 HB3 GLN A 11 -5.922 -12.804 7.993 1.00 23.11 H new ATOM 0 HG2 GLN A 11 -5.269 -12.586 5.034 1.00 25.22 H new ATOM 0 HG3 GLN A 11 -4.187 -12.106 6.327 1.00 25.22 H new ATOM 0 HE21 GLN A 11 -3.922 -14.288 4.292 1.00 63.50 H new ATOM 0 HE22 GLN A 11 -3.618 -15.730 5.267 1.00 63.50 H new ATOM 186 N LEU A 12 -8.994 -12.351 8.155 1.00 12.41 N ATOM 187 CA LEU A 12 -9.805 -12.337 9.364 1.00 53.32 C ATOM 188 C LEU A 12 -11.230 -12.776 9.089 1.00 24.33 C ATOM 189 O LEU A 12 -11.829 -13.479 9.894 1.00 14.20 O ATOM 190 CB LEU A 12 -9.770 -10.956 10.031 1.00 23.33 C ATOM 191 CG LEU A 12 -9.399 -9.772 9.130 1.00 61.42 C ATOM 192 CD1 LEU A 12 -10.589 -9.322 8.296 1.00 4.03 C ATOM 193 CD2 LEU A 12 -8.866 -8.621 9.970 1.00 13.00 C ATOM 0 H LEU A 12 -8.960 -11.462 7.655 1.00 12.41 H new ATOM 0 HA LEU A 12 -9.373 -13.059 10.057 1.00 53.32 H new ATOM 0 HB2 LEU A 12 -10.751 -10.761 10.464 1.00 23.33 H new ATOM 0 HB3 LEU A 12 -9.059 -10.993 10.856 1.00 23.33 H new ATOM 0 HG LEU A 12 -8.617 -10.097 8.444 1.00 61.42 H new ATOM 0 HD11 LEU A 12 -10.296 -8.481 7.667 1.00 4.03 H new ATOM 0 HD12 LEU A 12 -10.925 -10.146 7.666 1.00 4.03 H new ATOM 0 HD13 LEU A 12 -11.401 -9.016 8.956 1.00 4.03 H new ATOM 0 HD21 LEU A 12 -8.606 -7.786 9.320 1.00 13.00 H new ATOM 0 HD22 LEU A 12 -9.630 -8.304 10.679 1.00 13.00 H new ATOM 0 HD23 LEU A 12 -7.979 -8.947 10.514 1.00 13.00 H new ATOM 205 N LEU A 13 -11.761 -12.397 7.944 1.00 12.52 N ATOM 206 CA LEU A 13 -13.136 -12.739 7.606 1.00 44.13 C ATOM 207 C LEU A 13 -13.327 -14.237 7.460 1.00 10.12 C ATOM 208 O LEU A 13 -14.305 -14.792 7.956 1.00 43.34 O ATOM 209 CB LEU A 13 -13.577 -12.041 6.332 1.00 11.41 C ATOM 210 CG LEU A 13 -13.731 -10.535 6.459 1.00 24.33 C ATOM 211 CD1 LEU A 13 -14.420 -9.976 5.232 1.00 54.32 C ATOM 212 CD2 LEU A 13 -14.498 -10.193 7.724 1.00 34.03 C ATOM 0 H LEU A 13 -11.269 -11.856 7.233 1.00 12.52 H new ATOM 0 HA LEU A 13 -13.757 -12.395 8.433 1.00 44.13 H new ATOM 0 HB2 LEU A 13 -12.852 -12.254 5.546 1.00 11.41 H new ATOM 0 HB3 LEU A 13 -14.529 -12.465 6.011 1.00 11.41 H new ATOM 0 HG LEU A 13 -12.744 -10.079 6.529 1.00 24.33 H new ATOM 0 HD11 LEU A 13 -14.525 -8.896 5.334 1.00 54.32 H new ATOM 0 HD12 LEU A 13 -13.825 -10.201 4.347 1.00 54.32 H new ATOM 0 HD13 LEU A 13 -15.406 -10.428 5.131 1.00 54.32 H new ATOM 0 HD21 LEU A 13 -14.602 -9.111 7.805 1.00 34.03 H new ATOM 0 HD22 LEU A 13 -15.486 -10.651 7.685 1.00 34.03 H new ATOM 0 HD23 LEU A 13 -13.957 -10.571 8.591 1.00 34.03 H new ATOM 224 N LYS A 14 -12.402 -14.891 6.775 1.00 12.21 N ATOM 225 CA LYS A 14 -12.489 -16.336 6.587 1.00 2.42 C ATOM 226 C LYS A 14 -12.248 -17.057 7.914 1.00 35.21 C ATOM 227 O LYS A 14 -12.663 -18.202 8.100 1.00 63.00 O ATOM 228 CB LYS A 14 -11.508 -16.800 5.498 1.00 44.04 C ATOM 229 CG LYS A 14 -10.041 -16.832 5.913 1.00 5.34 C ATOM 230 CD LYS A 14 -9.613 -18.191 6.444 1.00 61.45 C ATOM 231 CE LYS A 14 -8.104 -18.262 6.615 1.00 13.21 C ATOM 232 NZ LYS A 14 -7.395 -18.158 5.312 1.00 73.13 N ATOM 0 H LYS A 14 -11.589 -14.452 6.343 1.00 12.21 H new ATOM 0 HA LYS A 14 -13.493 -16.590 6.249 1.00 2.42 H new ATOM 0 HB2 LYS A 14 -11.798 -17.799 5.172 1.00 44.04 H new ATOM 0 HB3 LYS A 14 -11.610 -16.141 4.636 1.00 44.04 H new ATOM 0 HG2 LYS A 14 -9.419 -16.568 5.057 1.00 5.34 H new ATOM 0 HG3 LYS A 14 -9.867 -16.076 6.679 1.00 5.34 H new ATOM 0 HD2 LYS A 14 -10.100 -18.381 7.401 1.00 61.45 H new ATOM 0 HD3 LYS A 14 -9.942 -18.972 5.759 1.00 61.45 H new ATOM 0 HE2 LYS A 14 -7.775 -17.458 7.273 1.00 13.21 H new ATOM 0 HE3 LYS A 14 -7.837 -19.201 7.100 1.00 13.21 H new ATOM 0 HZ1 LYS A 14 -6.438 -18.555 5.405 1.00 73.13 H new ATOM 0 HZ2 LYS A 14 -7.921 -18.687 4.588 1.00 73.13 H new ATOM 0 HZ3 LYS A 14 -7.330 -17.159 5.031 1.00 73.13 H new ATOM 246 N ASP A 15 -11.588 -16.363 8.839 1.00 61.32 N ATOM 247 CA ASP A 15 -11.363 -16.880 10.187 1.00 72.14 C ATOM 248 C ASP A 15 -12.660 -16.864 10.981 1.00 32.31 C ATOM 249 O ASP A 15 -13.014 -17.844 11.641 1.00 44.44 O ATOM 250 CB ASP A 15 -10.309 -16.044 10.914 1.00 44.11 C ATOM 251 CG ASP A 15 -10.083 -16.506 12.341 1.00 74.25 C ATOM 252 OD1 ASP A 15 -9.481 -17.585 12.534 1.00 3.22 O ATOM 253 OD2 ASP A 15 -10.492 -15.783 13.276 1.00 62.12 O ATOM 0 H ASP A 15 -11.197 -15.435 8.678 1.00 61.32 H new ATOM 0 HA ASP A 15 -11.005 -17.906 10.103 1.00 72.14 H new ATOM 0 HB2 ASP A 15 -9.368 -16.095 10.366 1.00 44.11 H new ATOM 0 HB3 ASP A 15 -10.619 -14.999 10.919 1.00 44.11 H new ATOM 258 N GLN A 16 -13.373 -15.744 10.890 1.00 42.34 N ATOM 259 CA GLN A 16 -14.660 -15.586 11.567 1.00 53.15 C ATOM 260 C GLN A 16 -15.685 -16.528 10.957 1.00 20.43 C ATOM 261 O GLN A 16 -16.695 -16.863 11.574 1.00 5.52 O ATOM 262 CB GLN A 16 -15.179 -14.149 11.459 1.00 43.54 C ATOM 263 CG GLN A 16 -14.123 -13.091 11.651 1.00 55.35 C ATOM 264 CD GLN A 16 -14.622 -11.927 12.475 1.00 43.41 C ATOM 265 OE1 GLN A 16 -15.428 -12.086 13.391 1.00 3.44 O ATOM 266 NE2 GLN A 16 -14.178 -10.741 12.117 1.00 52.25 N ATOM 0 H GLN A 16 -13.081 -14.928 10.352 1.00 42.34 H new ATOM 0 HA GLN A 16 -14.510 -15.823 12.620 1.00 53.15 H new ATOM 0 HB2 GLN A 16 -15.638 -14.014 10.480 1.00 43.54 H new ATOM 0 HB3 GLN A 16 -15.963 -14.002 12.202 1.00 43.54 H new ATOM 0 HG2 GLN A 16 -13.254 -13.532 12.139 1.00 55.35 H new ATOM 0 HG3 GLN A 16 -13.793 -12.729 10.677 1.00 55.35 H new ATOM 0 HE21 GLN A 16 -13.510 -10.656 11.351 1.00 52.25 H new ATOM 0 HE22 GLN A 16 -14.502 -9.906 12.605 1.00 52.25 H new ATOM 275 N GLY A 17 -15.418 -16.938 9.729 1.00 4.34 N ATOM 276 CA GLY A 17 -16.303 -17.847 9.051 1.00 42.12 C ATOM 277 C GLY A 17 -17.122 -17.163 7.989 1.00 13.35 C ATOM 278 O GLY A 17 -18.303 -17.460 7.817 1.00 54.44 O ATOM 0 H GLY A 17 -14.600 -16.654 9.191 1.00 4.34 H new ATOM 0 HA2 GLY A 17 -15.719 -18.648 8.597 1.00 42.12 H new ATOM 0 HA3 GLY A 17 -16.970 -18.311 9.778 1.00 42.12 H new ATOM 282 N CYS A 18 -16.523 -16.213 7.298 1.00 64.44 N ATOM 283 CA CYS A 18 -17.185 -15.603 6.162 1.00 20.02 C ATOM 284 C CYS A 18 -16.501 -16.023 4.873 1.00 33.21 C ATOM 285 O CYS A 18 -15.276 -16.098 4.814 1.00 14.34 O ATOM 286 CB CYS A 18 -17.168 -14.079 6.265 1.00 42.24 C ATOM 287 SG CYS A 18 -18.495 -13.292 5.302 1.00 73.44 S ATOM 0 H CYS A 18 -15.591 -15.850 7.499 1.00 64.44 H new ATOM 0 HA CYS A 18 -18.221 -15.942 6.159 1.00 20.02 H new ATOM 0 HB2 CYS A 18 -17.264 -13.789 7.311 1.00 42.24 H new ATOM 0 HB3 CYS A 18 -16.204 -13.707 5.918 1.00 42.24 H new ATOM 0 HG CYS A 18 -19.496 -14.114 5.189 1.00 73.44 H new ATOM 292 N GLU A 19 -17.291 -16.315 3.854 1.00 71.22 N ATOM 293 CA GLU A 19 -16.746 -16.573 2.520 1.00 63.13 C ATOM 294 C GLU A 19 -17.353 -15.607 1.502 1.00 21.00 C ATOM 295 O GLU A 19 -17.015 -15.637 0.316 1.00 54.52 O ATOM 296 CB GLU A 19 -17.024 -18.021 2.086 1.00 73.33 C ATOM 297 CG GLU A 19 -18.462 -18.279 1.641 1.00 32.50 C ATOM 298 CD GLU A 19 -19.466 -18.196 2.770 1.00 44.13 C ATOM 299 OE1 GLU A 19 -19.681 -17.090 3.297 1.00 62.02 O ATOM 300 OE2 GLU A 19 -20.047 -19.238 3.135 1.00 3.32 O ATOM 0 H GLU A 19 -18.307 -16.381 3.918 1.00 71.22 H new ATOM 0 HA GLU A 19 -15.667 -16.421 2.562 1.00 63.13 H new ATOM 0 HB2 GLU A 19 -16.351 -18.278 1.268 1.00 73.33 H new ATOM 0 HB3 GLU A 19 -16.787 -18.688 2.915 1.00 73.33 H new ATOM 0 HG2 GLU A 19 -18.731 -17.555 0.872 1.00 32.50 H new ATOM 0 HG3 GLU A 19 -18.521 -19.267 1.184 1.00 32.50 H new ATOM 307 N ASP A 20 -18.234 -14.741 1.981 1.00 23.34 N ATOM 308 CA ASP A 20 -19.035 -13.892 1.112 1.00 42.02 C ATOM 309 C ASP A 20 -18.539 -12.447 1.133 1.00 45.31 C ATOM 310 O ASP A 20 -19.026 -11.610 1.906 1.00 12.21 O ATOM 311 CB ASP A 20 -20.502 -13.950 1.539 1.00 22.51 C ATOM 312 CG ASP A 20 -21.411 -13.226 0.571 1.00 12.41 C ATOM 313 OD1 ASP A 20 -21.754 -13.812 -0.474 1.00 62.12 O ATOM 314 OD2 ASP A 20 -21.781 -12.070 0.847 1.00 23.42 O ATOM 0 H ASP A 20 -18.413 -14.607 2.976 1.00 23.34 H new ATOM 0 HA ASP A 20 -18.938 -14.264 0.092 1.00 42.02 H new ATOM 0 HB2 ASP A 20 -20.814 -14.991 1.617 1.00 22.51 H new ATOM 0 HB3 ASP A 20 -20.607 -13.510 2.531 1.00 22.51 H new ATOM 319 N PHE A 21 -17.535 -12.182 0.312 1.00 73.23 N ATOM 320 CA PHE A 21 -16.956 -10.848 0.184 1.00 53.02 C ATOM 321 C PHE A 21 -16.064 -10.765 -1.051 1.00 61.32 C ATOM 322 O PHE A 21 -15.479 -11.767 -1.470 1.00 65.11 O ATOM 323 CB PHE A 21 -16.163 -10.463 1.443 1.00 72.32 C ATOM 324 CG PHE A 21 -15.304 -11.564 2.006 1.00 50.44 C ATOM 325 CD1 PHE A 21 -14.019 -11.783 1.536 1.00 14.24 C ATOM 326 CD2 PHE A 21 -15.784 -12.371 3.023 1.00 65.00 C ATOM 327 CE1 PHE A 21 -13.235 -12.786 2.072 1.00 14.04 C ATOM 328 CE2 PHE A 21 -15.006 -13.372 3.556 1.00 52.10 C ATOM 329 CZ PHE A 21 -13.729 -13.582 3.084 1.00 12.23 C ATOM 0 H PHE A 21 -17.097 -12.883 -0.285 1.00 73.23 H new ATOM 0 HA PHE A 21 -17.776 -10.139 0.071 1.00 53.02 H new ATOM 0 HB2 PHE A 21 -15.528 -9.609 1.209 1.00 72.32 H new ATOM 0 HB3 PHE A 21 -16.864 -10.138 2.212 1.00 72.32 H new ATOM 0 HD1 PHE A 21 -13.627 -11.164 0.743 1.00 14.24 H new ATOM 0 HD2 PHE A 21 -16.782 -12.213 3.403 1.00 65.00 H new ATOM 0 HE1 PHE A 21 -12.235 -12.947 1.698 1.00 14.04 H new ATOM 0 HE2 PHE A 21 -15.397 -13.995 4.347 1.00 52.10 H new ATOM 0 HZ PHE A 21 -13.117 -14.367 3.505 1.00 12.23 H new ATOM 339 N GLY A 22 -15.968 -9.573 -1.630 1.00 33.20 N ATOM 340 CA GLY A 22 -15.164 -9.379 -2.825 1.00 15.43 C ATOM 341 C GLY A 22 -15.012 -7.912 -3.180 1.00 1.32 C ATOM 342 O GLY A 22 -15.573 -7.049 -2.510 1.00 54.02 O ATOM 0 H GLY A 22 -16.435 -8.732 -1.291 1.00 33.20 H new ATOM 0 HA2 GLY A 22 -14.178 -9.819 -2.673 1.00 15.43 H new ATOM 0 HA3 GLY A 22 -15.624 -9.908 -3.660 1.00 15.43 H new ATOM 346 N THR A 23 -14.258 -7.625 -4.231 1.00 10.21 N ATOM 347 CA THR A 23 -14.009 -6.250 -4.644 1.00 3.33 C ATOM 348 C THR A 23 -14.801 -5.895 -5.898 1.00 31.15 C ATOM 349 O THR A 23 -15.135 -6.769 -6.701 1.00 65.35 O ATOM 350 CB THR A 23 -12.508 -6.019 -4.907 1.00 24.11 C ATOM 351 OG1 THR A 23 -11.973 -7.103 -5.685 1.00 4.11 O ATOM 352 CG2 THR A 23 -11.746 -5.897 -3.598 1.00 10.21 C ATOM 0 H THR A 23 -13.806 -8.328 -4.816 1.00 10.21 H new ATOM 0 HA THR A 23 -14.335 -5.605 -3.828 1.00 3.33 H new ATOM 0 HB THR A 23 -12.395 -5.088 -5.462 1.00 24.11 H new ATOM 0 HG1 THR A 23 -11.019 -6.948 -5.849 1.00 4.11 H new ATOM 0 HG21 THR A 23 -10.689 -5.734 -3.806 1.00 10.21 H new ATOM 0 HG22 THR A 23 -12.137 -5.055 -3.027 1.00 10.21 H new ATOM 0 HG23 THR A 23 -11.865 -6.814 -3.021 1.00 10.21 H new ATOM 360 N LYS A 24 -15.115 -4.617 -6.055 1.00 23.32 N ATOM 361 CA LYS A 24 -15.791 -4.141 -7.254 1.00 1.44 C ATOM 362 C LYS A 24 -15.136 -2.862 -7.763 1.00 60.22 C ATOM 363 O LYS A 24 -14.513 -2.123 -6.998 1.00 64.04 O ATOM 364 CB LYS A 24 -17.272 -3.867 -6.975 1.00 51.33 C ATOM 365 CG LYS A 24 -17.510 -2.631 -6.118 1.00 20.13 C ATOM 366 CD LYS A 24 -18.987 -2.310 -5.978 1.00 53.12 C ATOM 367 CE LYS A 24 -19.625 -1.981 -7.318 1.00 13.22 C ATOM 368 NZ LYS A 24 -21.094 -1.772 -7.199 1.00 70.43 N ATOM 0 H LYS A 24 -14.913 -3.891 -5.368 1.00 23.32 H new ATOM 0 HA LYS A 24 -15.709 -4.920 -8.011 1.00 1.44 H new ATOM 0 HB2 LYS A 24 -17.796 -3.748 -7.923 1.00 51.33 H new ATOM 0 HB3 LYS A 24 -17.706 -4.734 -6.477 1.00 51.33 H new ATOM 0 HG2 LYS A 24 -17.078 -2.787 -5.130 1.00 20.13 H new ATOM 0 HG3 LYS A 24 -16.994 -1.779 -6.560 1.00 20.13 H new ATOM 0 HD2 LYS A 24 -19.502 -3.159 -5.529 1.00 53.12 H new ATOM 0 HD3 LYS A 24 -19.112 -1.466 -5.299 1.00 53.12 H new ATOM 0 HE2 LYS A 24 -19.163 -1.083 -7.729 1.00 13.22 H new ATOM 0 HE3 LYS A 24 -19.430 -2.791 -8.021 1.00 13.22 H new ATOM 0 HZ1 LYS A 24 -21.427 -1.191 -7.994 1.00 70.43 H new ATOM 0 HZ2 LYS A 24 -21.578 -2.692 -7.216 1.00 70.43 H new ATOM 0 HZ3 LYS A 24 -21.304 -1.287 -6.303 1.00 70.43 H new ATOM 743 N TYR A 47 -15.344 8.488 -13.478 1.00 63.33 N ATOM 744 CA TYR A 47 -14.602 8.222 -12.261 1.00 51.22 C ATOM 745 C TYR A 47 -14.653 6.742 -11.925 1.00 30.41 C ATOM 746 O TYR A 47 -15.670 6.079 -12.139 1.00 23.13 O ATOM 747 CB TYR A 47 -15.173 9.041 -11.097 1.00 31.45 C ATOM 748 CG TYR A 47 -14.798 10.510 -11.114 1.00 24.42 C ATOM 749 CD1 TYR A 47 -15.224 11.358 -12.132 1.00 4.03 C ATOM 750 CD2 TYR A 47 -14.019 11.048 -10.099 1.00 15.53 C ATOM 751 CE1 TYR A 47 -14.880 12.695 -12.135 1.00 23.20 C ATOM 752 CE2 TYR A 47 -13.674 12.383 -10.093 1.00 33.31 C ATOM 753 CZ TYR A 47 -14.105 13.203 -11.112 1.00 52.03 C ATOM 754 OH TYR A 47 -13.763 14.539 -11.108 1.00 62.41 O ATOM 0 HA TYR A 47 -13.564 8.513 -12.421 1.00 51.22 H new ATOM 0 HB2 TYR A 47 -16.260 8.957 -11.110 1.00 31.45 H new ATOM 0 HB3 TYR A 47 -14.830 8.603 -10.160 1.00 31.45 H new ATOM 0 HD1 TYR A 47 -15.833 10.964 -12.932 1.00 4.03 H new ATOM 0 HD2 TYR A 47 -13.677 10.409 -9.299 1.00 15.53 H new ATOM 0 HE1 TYR A 47 -15.216 13.340 -12.934 1.00 23.20 H new ATOM 0 HE2 TYR A 47 -13.069 12.784 -9.293 1.00 33.31 H new ATOM 0 HH TYR A 47 -13.216 14.734 -10.318 1.00 62.41 H new ATOM 764 N TYR A 48 -13.547 6.229 -11.423 1.00 51.12 N ATOM 765 CA TYR A 48 -13.483 4.850 -10.976 1.00 25.44 C ATOM 766 C TYR A 48 -14.026 4.736 -9.563 1.00 70.43 C ATOM 767 O TYR A 48 -13.370 5.131 -8.597 1.00 2.15 O ATOM 768 CB TYR A 48 -12.050 4.315 -11.039 1.00 11.44 C ATOM 769 CG TYR A 48 -11.629 3.871 -12.422 1.00 15.03 C ATOM 770 CD1 TYR A 48 -12.241 4.386 -13.558 1.00 75.42 C ATOM 771 CD2 TYR A 48 -10.628 2.926 -12.589 1.00 51.41 C ATOM 772 CE1 TYR A 48 -11.862 3.975 -14.817 1.00 41.32 C ATOM 773 CE2 TYR A 48 -10.242 2.510 -13.848 1.00 1.43 C ATOM 774 CZ TYR A 48 -10.863 3.037 -14.959 1.00 1.32 C ATOM 775 OH TYR A 48 -10.478 2.634 -16.215 1.00 24.11 O ATOM 0 H TYR A 48 -12.676 6.749 -11.314 1.00 51.12 H new ATOM 0 HA TYR A 48 -14.097 4.246 -11.644 1.00 25.44 H new ATOM 0 HB2 TYR A 48 -11.366 5.090 -10.692 1.00 11.44 H new ATOM 0 HB3 TYR A 48 -11.955 3.474 -10.352 1.00 11.44 H new ATOM 0 HD1 TYR A 48 -13.026 5.120 -13.452 1.00 75.42 H new ATOM 0 HD2 TYR A 48 -10.142 2.508 -11.720 1.00 51.41 H new ATOM 0 HE1 TYR A 48 -12.346 4.387 -15.690 1.00 41.32 H new ATOM 0 HE2 TYR A 48 -9.458 1.776 -13.961 1.00 1.43 H new ATOM 0 HH TYR A 48 -9.762 1.969 -16.140 1.00 24.11 H new ATOM 785 N GLY A 49 -15.241 4.233 -9.453 1.00 73.15 N ATOM 786 CA GLY A 49 -15.853 4.041 -8.160 1.00 12.42 C ATOM 787 C GLY A 49 -15.486 2.701 -7.555 1.00 14.11 C ATOM 788 O GLY A 49 -16.268 1.748 -7.606 1.00 34.52 O ATOM 0 H GLY A 49 -15.820 3.952 -10.244 1.00 73.15 H new ATOM 0 HA2 GLY A 49 -15.541 4.840 -7.488 1.00 12.42 H new ATOM 0 HA3 GLY A 49 -16.936 4.111 -8.257 1.00 12.42 H new ATOM 792 N PHE A 50 -14.281 2.622 -7.005 1.00 2.14 N ATOM 793 CA PHE A 50 -13.809 1.407 -6.353 1.00 45.50 C ATOM 794 C PHE A 50 -14.571 1.169 -5.062 1.00 41.53 C ATOM 795 O PHE A 50 -14.888 2.115 -4.337 1.00 63.11 O ATOM 796 CB PHE A 50 -12.310 1.489 -6.058 1.00 1.43 C ATOM 797 CG PHE A 50 -11.448 0.909 -7.139 1.00 44.03 C ATOM 798 CD1 PHE A 50 -11.205 -0.454 -7.184 1.00 13.12 C ATOM 799 CD2 PHE A 50 -10.883 1.716 -8.111 1.00 63.54 C ATOM 800 CE1 PHE A 50 -10.416 -1.000 -8.175 1.00 23.43 C ATOM 801 CE2 PHE A 50 -10.098 1.176 -9.103 1.00 52.24 C ATOM 802 CZ PHE A 50 -9.861 -0.182 -9.137 1.00 55.24 C ATOM 0 H PHE A 50 -13.609 3.390 -6.998 1.00 2.14 H new ATOM 0 HA PHE A 50 -13.985 0.573 -7.033 1.00 45.50 H new ATOM 0 HB2 PHE A 50 -12.035 2.533 -5.908 1.00 1.43 H new ATOM 0 HB3 PHE A 50 -12.104 0.968 -5.123 1.00 1.43 H new ATOM 0 HD1 PHE A 50 -11.639 -1.098 -6.433 1.00 13.12 H new ATOM 0 HD2 PHE A 50 -11.060 2.781 -8.090 1.00 63.54 H new ATOM 0 HE1 PHE A 50 -10.233 -2.064 -8.198 1.00 23.43 H new ATOM 0 HE2 PHE A 50 -9.666 1.817 -9.857 1.00 52.24 H new ATOM 0 HZ PHE A 50 -9.242 -0.604 -9.915 1.00 55.24 H new ATOM 812 N SER A 51 -14.888 -0.085 -4.785 1.00 31.40 N ATOM 813 CA SER A 51 -15.615 -0.436 -3.575 1.00 62.51 C ATOM 814 C SER A 51 -15.337 -1.881 -3.176 1.00 42.21 C ATOM 815 O SER A 51 -14.930 -2.698 -4.004 1.00 62.54 O ATOM 816 CB SER A 51 -17.120 -0.256 -3.784 1.00 4.34 C ATOM 817 OG SER A 51 -17.421 0.968 -4.429 1.00 31.34 O ATOM 0 H SER A 51 -14.653 -0.878 -5.382 1.00 31.40 H new ATOM 0 HA SER A 51 -15.276 0.227 -2.779 1.00 62.51 H new ATOM 0 HB2 SER A 51 -17.505 -1.084 -4.379 1.00 4.34 H new ATOM 0 HB3 SER A 51 -17.627 -0.293 -2.820 1.00 4.34 H new ATOM 0 HG SER A 51 -17.246 1.712 -3.816 1.00 31.34 H new ATOM 823 N PHE A 52 -15.565 -2.192 -1.908 1.00 1.01 N ATOM 824 CA PHE A 52 -15.446 -3.558 -1.427 1.00 43.05 C ATOM 825 C PHE A 52 -16.798 -4.050 -0.942 1.00 71.52 C ATOM 826 O PHE A 52 -17.436 -3.413 -0.093 1.00 33.11 O ATOM 827 CB PHE A 52 -14.417 -3.666 -0.296 1.00 4.22 C ATOM 828 CG PHE A 52 -14.113 -5.088 0.091 1.00 62.43 C ATOM 829 CD1 PHE A 52 -14.914 -5.764 0.999 1.00 5.11 C ATOM 830 CD2 PHE A 52 -13.033 -5.754 -0.466 1.00 63.22 C ATOM 831 CE1 PHE A 52 -14.643 -7.071 1.345 1.00 30.33 C ATOM 832 CE2 PHE A 52 -12.758 -7.065 -0.125 1.00 32.54 C ATOM 833 CZ PHE A 52 -13.565 -7.724 0.781 1.00 62.04 C ATOM 0 H PHE A 52 -15.834 -1.515 -1.194 1.00 1.01 H new ATOM 0 HA PHE A 52 -15.103 -4.179 -2.254 1.00 43.05 H new ATOM 0 HB2 PHE A 52 -13.494 -3.174 -0.604 1.00 4.22 H new ATOM 0 HB3 PHE A 52 -14.788 -3.129 0.577 1.00 4.22 H new ATOM 0 HD1 PHE A 52 -15.761 -5.260 1.441 1.00 5.11 H new ATOM 0 HD2 PHE A 52 -12.399 -5.243 -1.175 1.00 63.22 H new ATOM 0 HE1 PHE A 52 -15.273 -7.584 2.057 1.00 30.33 H new ATOM 0 HE2 PHE A 52 -11.913 -7.573 -0.566 1.00 32.54 H new ATOM 0 HZ PHE A 52 -13.353 -8.749 1.048 1.00 62.04 H new ATOM 843 N PHE A 53 -17.207 -5.193 -1.476 1.00 5.11 N ATOM 844 CA PHE A 53 -18.509 -5.771 -1.186 1.00 32.45 C ATOM 845 C PHE A 53 -18.451 -6.747 -0.023 1.00 5.33 C ATOM 846 O PHE A 53 -17.492 -7.505 0.129 1.00 33.14 O ATOM 847 CB PHE A 53 -19.058 -6.488 -2.415 1.00 34.44 C ATOM 848 CG PHE A 53 -20.198 -5.768 -3.059 1.00 55.03 C ATOM 849 CD1 PHE A 53 -21.427 -5.702 -2.429 1.00 44.14 C ATOM 850 CD2 PHE A 53 -20.045 -5.160 -4.289 1.00 74.13 C ATOM 851 CE1 PHE A 53 -22.485 -5.038 -3.013 1.00 41.13 C ATOM 852 CE2 PHE A 53 -21.105 -4.496 -4.880 1.00 24.11 C ATOM 853 CZ PHE A 53 -22.325 -4.436 -4.240 1.00 10.23 C ATOM 0 H PHE A 53 -16.644 -5.745 -2.123 1.00 5.11 H new ATOM 0 HA PHE A 53 -19.169 -4.949 -0.910 1.00 32.45 H new ATOM 0 HB2 PHE A 53 -18.257 -6.611 -3.144 1.00 34.44 H new ATOM 0 HB3 PHE A 53 -19.384 -7.488 -2.128 1.00 34.44 H new ATOM 0 HD1 PHE A 53 -21.560 -6.176 -1.468 1.00 44.14 H new ATOM 0 HD2 PHE A 53 -19.091 -5.203 -4.793 1.00 74.13 H new ATOM 0 HE1 PHE A 53 -23.438 -4.990 -2.508 1.00 41.13 H new ATOM 0 HE2 PHE A 53 -20.977 -4.024 -5.843 1.00 24.11 H new ATOM 0 HZ PHE A 53 -23.153 -3.918 -4.701 1.00 10.23 H new ATOM 863 N ARG A 54 -19.502 -6.726 0.774 1.00 12.25 N ATOM 864 CA ARG A 54 -19.622 -7.578 1.942 1.00 74.34 C ATOM 865 C ARG A 54 -21.089 -7.931 2.168 1.00 70.11 C ATOM 866 O ARG A 54 -21.871 -7.072 2.575 1.00 1.11 O ATOM 867 CB ARG A 54 -19.075 -6.836 3.158 1.00 33.31 C ATOM 868 CG ARG A 54 -19.450 -7.444 4.498 1.00 41.23 C ATOM 869 CD ARG A 54 -18.813 -8.802 4.712 1.00 52.23 C ATOM 870 NE ARG A 54 -18.876 -9.192 6.117 1.00 71.12 N ATOM 871 CZ ARG A 54 -17.899 -8.934 6.983 1.00 43.11 C ATOM 872 NH1 ARG A 54 -16.808 -8.313 6.567 1.00 23.23 N ATOM 873 NH2 ARG A 54 -18.016 -9.269 8.266 1.00 0.30 N ATOM 0 H ARG A 54 -20.303 -6.112 0.628 1.00 12.25 H new ATOM 0 HA ARG A 54 -19.055 -8.496 1.789 1.00 74.34 H new ATOM 0 HB2 ARG A 54 -17.988 -6.798 3.084 1.00 33.31 H new ATOM 0 HB3 ARG A 54 -19.433 -5.807 3.129 1.00 33.31 H new ATOM 0 HG2 ARG A 54 -19.143 -6.771 5.298 1.00 41.23 H new ATOM 0 HG3 ARG A 54 -20.534 -7.540 4.560 1.00 41.23 H new ATOM 0 HD2 ARG A 54 -19.322 -9.547 4.101 1.00 52.23 H new ATOM 0 HD3 ARG A 54 -17.774 -8.776 4.384 1.00 52.23 H new ATOM 0 HE ARG A 54 -19.705 -9.684 6.450 1.00 71.12 H new ATOM 0 HH11 ARG A 54 -16.720 -8.036 5.589 1.00 23.23 H new ATOM 0 HH12 ARG A 54 -16.054 -8.111 7.224 1.00 23.23 H new ATOM 0 HH21 ARG A 54 -18.863 -9.730 8.597 1.00 0.30 H new ATOM 0 HH22 ARG A 54 -17.258 -9.065 8.918 1.00 0.30 H new ATOM 887 N HIS A 55 -21.465 -9.177 1.883 1.00 73.15 N ATOM 888 CA HIS A 55 -22.853 -9.628 2.059 1.00 54.50 C ATOM 889 C HIS A 55 -23.829 -8.807 1.221 1.00 23.20 C ATOM 890 O HIS A 55 -25.004 -8.687 1.566 1.00 10.24 O ATOM 891 CB HIS A 55 -23.268 -9.557 3.530 1.00 2.02 C ATOM 892 CG HIS A 55 -22.966 -10.799 4.300 1.00 72.24 C ATOM 893 ND1 HIS A 55 -23.935 -11.656 4.779 1.00 13.33 N ATOM 894 CD2 HIS A 55 -21.777 -11.314 4.700 1.00 1.05 C ATOM 895 CE1 HIS A 55 -23.318 -12.637 5.443 1.00 54.52 C ATOM 896 NE2 HIS A 55 -22.012 -12.477 5.420 1.00 52.44 N ATOM 0 H HIS A 55 -20.832 -9.894 1.529 1.00 73.15 H new ATOM 0 HA HIS A 55 -22.892 -10.663 1.719 1.00 54.50 H new ATOM 0 HB2 HIS A 55 -22.760 -8.716 4.001 1.00 2.02 H new ATOM 0 HB3 HIS A 55 -24.338 -9.356 3.587 1.00 2.02 H new ATOM 0 HD2 HIS A 55 -20.806 -10.889 4.492 1.00 1.05 H new ATOM 0 HE1 HIS A 55 -23.825 -13.454 5.934 1.00 54.52 H new ATOM 0 HE2 HIS A 55 -21.313 -13.086 5.846 1.00 52.44 H new ATOM 904 N GLY A 56 -23.350 -8.255 0.118 1.00 73.53 N ATOM 905 CA GLY A 56 -24.203 -7.433 -0.716 1.00 34.00 C ATOM 906 C GLY A 56 -24.207 -5.980 -0.284 1.00 51.22 C ATOM 907 O GLY A 56 -24.866 -5.141 -0.901 1.00 55.14 O ATOM 0 H GLY A 56 -22.391 -8.360 -0.214 1.00 73.53 H new ATOM 0 HA2 GLY A 56 -23.868 -7.500 -1.751 1.00 34.00 H new ATOM 0 HA3 GLY A 56 -25.221 -7.821 -0.684 1.00 34.00 H new ATOM 911 N ASN A 57 -23.481 -5.679 0.781 1.00 23.12 N ATOM 912 CA ASN A 57 -23.349 -4.306 1.248 1.00 41.40 C ATOM 913 C ASN A 57 -21.972 -3.782 0.886 1.00 35.21 C ATOM 914 O ASN A 57 -21.121 -4.530 0.405 1.00 52.22 O ATOM 915 CB ASN A 57 -23.535 -4.194 2.766 1.00 64.31 C ATOM 916 CG ASN A 57 -24.667 -5.042 3.303 1.00 13.42 C ATOM 917 OD1 ASN A 57 -25.830 -4.635 3.307 1.00 74.44 O ATOM 918 ND2 ASN A 57 -24.322 -6.225 3.780 1.00 22.32 N ATOM 0 H ASN A 57 -22.974 -6.366 1.339 1.00 23.12 H new ATOM 0 HA ASN A 57 -24.129 -3.718 0.765 1.00 41.40 H new ATOM 0 HB2 ASN A 57 -22.608 -4.486 3.259 1.00 64.31 H new ATOM 0 HB3 ASN A 57 -23.719 -3.151 3.025 1.00 64.31 H new ATOM 0 HD21 ASN A 57 -25.032 -6.843 4.173 1.00 22.32 H new ATOM 0 HD22 ASN A 57 -23.346 -6.520 3.756 1.00 22.32 H new ATOM 925 N ILE A 58 -21.753 -2.510 1.138 1.00 12.13 N ATOM 926 CA ILE A 58 -20.477 -1.883 0.853 1.00 63.04 C ATOM 927 C ILE A 58 -19.739 -1.566 2.150 1.00 53.01 C ATOM 928 O ILE A 58 -20.285 -0.926 3.050 1.00 34.45 O ATOM 929 CB ILE A 58 -20.673 -0.594 0.022 1.00 33.55 C ATOM 930 CG1 ILE A 58 -21.153 -0.943 -1.393 1.00 41.14 C ATOM 931 CG2 ILE A 58 -19.387 0.221 -0.034 1.00 51.14 C ATOM 932 CD1 ILE A 58 -20.067 -1.501 -2.287 1.00 24.03 C ATOM 0 H ILE A 58 -22.448 -1.883 1.543 1.00 12.13 H new ATOM 0 HA ILE A 58 -19.877 -2.581 0.269 1.00 63.04 H new ATOM 0 HB ILE A 58 -21.434 0.015 0.510 1.00 33.55 H new ATOM 0 HG12 ILE A 58 -21.962 -1.670 -1.323 1.00 41.14 H new ATOM 0 HG13 ILE A 58 -21.568 -0.048 -1.857 1.00 41.14 H new ATOM 0 HG21 ILE A 58 -19.553 1.122 -0.625 1.00 51.14 H new ATOM 0 HG22 ILE A 58 -19.088 0.499 0.977 1.00 51.14 H new ATOM 0 HG23 ILE A 58 -18.599 -0.375 -0.494 1.00 51.14 H new ATOM 0 HD11 ILE A 58 -20.483 -1.723 -3.270 1.00 24.03 H new ATOM 0 HD12 ILE A 58 -19.267 -0.768 -2.389 1.00 24.03 H new ATOM 0 HD13 ILE A 58 -19.667 -2.415 -1.847 1.00 24.03 H new ATOM 944 N VAL A 59 -18.510 -2.050 2.251 1.00 61.44 N ATOM 945 CA VAL A 59 -17.659 -1.746 3.396 1.00 61.34 C ATOM 946 C VAL A 59 -16.651 -0.669 3.024 1.00 74.10 C ATOM 947 O VAL A 59 -16.438 0.289 3.770 1.00 65.34 O ATOM 948 CB VAL A 59 -16.907 -2.995 3.917 1.00 12.14 C ATOM 949 CG1 VAL A 59 -15.887 -2.612 4.981 1.00 42.11 C ATOM 950 CG2 VAL A 59 -17.882 -4.017 4.473 1.00 42.03 C ATOM 0 H VAL A 59 -18.078 -2.656 1.554 1.00 61.44 H new ATOM 0 HA VAL A 59 -18.310 -1.392 4.195 1.00 61.34 H new ATOM 0 HB VAL A 59 -16.377 -3.440 3.075 1.00 12.14 H new ATOM 0 HG11 VAL A 59 -15.372 -3.507 5.331 1.00 42.11 H new ATOM 0 HG12 VAL A 59 -15.161 -1.919 4.556 1.00 42.11 H new ATOM 0 HG13 VAL A 59 -16.396 -2.136 5.819 1.00 42.11 H new ATOM 0 HG21 VAL A 59 -17.332 -4.886 4.833 1.00 42.03 H new ATOM 0 HG22 VAL A 59 -18.442 -3.575 5.297 1.00 42.03 H new ATOM 0 HG23 VAL A 59 -18.573 -4.325 3.688 1.00 42.03 H new ATOM 960 N ALA A 60 -16.041 -0.820 1.860 1.00 54.42 N ATOM 961 CA ALA A 60 -15.068 0.155 1.398 1.00 33.12 C ATOM 962 C ALA A 60 -15.561 0.841 0.144 1.00 61.44 C ATOM 963 O ALA A 60 -16.170 0.209 -0.713 1.00 74.34 O ATOM 964 CB ALA A 60 -13.716 -0.495 1.146 1.00 4.41 C ATOM 0 H ALA A 60 -16.200 -1.601 1.223 1.00 54.42 H new ATOM 0 HA ALA A 60 -14.944 0.902 2.182 1.00 33.12 H new ATOM 0 HB1 ALA A 60 -13.008 0.259 0.801 1.00 4.41 H new ATOM 0 HB2 ALA A 60 -13.349 -0.941 2.070 1.00 4.41 H new ATOM 0 HB3 ALA A 60 -13.820 -1.269 0.386 1.00 4.41 H new ATOM 970 N TYR A 61 -15.314 2.132 0.052 1.00 30.31 N ATOM 971 CA TYR A 61 -15.677 2.890 -1.125 1.00 73.22 C ATOM 972 C TYR A 61 -14.629 3.959 -1.386 1.00 65.21 C ATOM 973 O TYR A 61 -14.172 4.628 -0.459 1.00 33.12 O ATOM 974 CB TYR A 61 -17.063 3.527 -0.956 1.00 53.33 C ATOM 975 CG TYR A 61 -17.551 4.250 -2.193 1.00 71.10 C ATOM 976 CD1 TYR A 61 -18.173 3.553 -3.216 1.00 51.21 C ATOM 977 CD2 TYR A 61 -17.382 5.619 -2.342 1.00 11.40 C ATOM 978 CE1 TYR A 61 -18.611 4.193 -4.358 1.00 4.11 C ATOM 979 CE2 TYR A 61 -17.819 6.271 -3.480 1.00 15.43 C ATOM 980 CZ TYR A 61 -18.432 5.556 -4.487 1.00 3.22 C ATOM 981 OH TYR A 61 -18.862 6.210 -5.623 1.00 4.44 O ATOM 0 H TYR A 61 -14.861 2.679 0.784 1.00 30.31 H new ATOM 0 HA TYR A 61 -15.720 2.215 -1.980 1.00 73.22 H new ATOM 0 HB2 TYR A 61 -17.781 2.751 -0.692 1.00 53.33 H new ATOM 0 HB3 TYR A 61 -17.032 4.229 -0.123 1.00 53.33 H new ATOM 0 HD1 TYR A 61 -18.318 2.487 -3.118 1.00 51.21 H new ATOM 0 HD2 TYR A 61 -16.902 6.184 -1.557 1.00 11.40 H new ATOM 0 HE1 TYR A 61 -19.091 3.631 -5.146 1.00 4.11 H new ATOM 0 HE2 TYR A 61 -17.681 7.337 -3.580 1.00 15.43 H new ATOM 0 HH TYR A 61 -19.640 5.744 -5.994 1.00 4.44 H new ATOM 991 N GLY A 62 -14.237 4.092 -2.638 1.00 62.43 N ATOM 992 CA GLY A 62 -13.261 5.085 -3.012 1.00 1.41 C ATOM 993 C GLY A 62 -13.375 5.450 -4.471 1.00 33.11 C ATOM 994 O GLY A 62 -12.872 4.741 -5.334 1.00 44.43 O ATOM 0 H GLY A 62 -14.582 3.523 -3.411 1.00 62.43 H new ATOM 0 HA2 GLY A 62 -13.396 5.977 -2.401 1.00 1.41 H new ATOM 0 HA3 GLY A 62 -12.259 4.707 -2.808 1.00 1.41 H new ATOM 998 N LYS A 63 -14.067 6.541 -4.750 1.00 22.24 N ATOM 999 CA LYS A 63 -14.224 7.010 -6.110 1.00 54.12 C ATOM 1000 C LYS A 63 -13.214 8.108 -6.421 1.00 62.22 C ATOM 1001 O LYS A 63 -13.146 9.116 -5.714 1.00 24.32 O ATOM 1002 CB LYS A 63 -15.646 7.522 -6.315 1.00 50.24 C ATOM 1003 CG LYS A 63 -15.892 8.130 -7.679 1.00 34.43 C ATOM 1004 CD LYS A 63 -17.376 8.228 -7.955 1.00 0.25 C ATOM 1005 CE LYS A 63 -18.077 9.156 -6.977 1.00 20.41 C ATOM 1006 NZ LYS A 63 -19.513 8.798 -6.824 1.00 62.32 N ATOM 0 H LYS A 63 -14.530 7.118 -4.048 1.00 22.24 H new ATOM 0 HA LYS A 63 -14.041 6.180 -6.792 1.00 54.12 H new ATOM 0 HB2 LYS A 63 -16.343 6.697 -6.165 1.00 50.24 H new ATOM 0 HB3 LYS A 63 -15.866 8.268 -5.551 1.00 50.24 H new ATOM 0 HG2 LYS A 63 -15.441 9.121 -7.729 1.00 34.43 H new ATOM 0 HG3 LYS A 63 -15.413 7.522 -8.446 1.00 34.43 H new ATOM 0 HD2 LYS A 63 -17.533 8.588 -8.972 1.00 0.25 H new ATOM 0 HD3 LYS A 63 -17.822 7.235 -7.896 1.00 0.25 H new ATOM 0 HE2 LYS A 63 -17.582 9.106 -6.007 1.00 20.41 H new ATOM 0 HE3 LYS A 63 -17.992 10.185 -7.325 1.00 20.41 H new ATOM 0 HZ1 LYS A 63 -19.983 9.500 -6.217 1.00 62.32 H new ATOM 0 HZ2 LYS A 63 -19.970 8.787 -7.758 1.00 62.32 H new ATOM 0 HZ3 LYS A 63 -19.592 7.856 -6.390 1.00 62.32 H new ATOM 1020 N SER A 64 -12.436 7.907 -7.473 1.00 33.50 N ATOM 1021 CA SER A 64 -11.456 8.890 -7.896 1.00 55.41 C ATOM 1022 C SER A 64 -11.277 8.833 -9.408 1.00 24.41 C ATOM 1023 O SER A 64 -11.664 7.854 -10.050 1.00 40.21 O ATOM 1024 CB SER A 64 -10.115 8.640 -7.195 1.00 60.41 C ATOM 1025 OG SER A 64 -9.150 9.616 -7.557 1.00 14.13 O ATOM 0 H SER A 64 -12.466 7.067 -8.051 1.00 33.50 H new ATOM 0 HA SER A 64 -11.814 9.882 -7.620 1.00 55.41 H new ATOM 0 HB2 SER A 64 -10.260 8.653 -6.115 1.00 60.41 H new ATOM 0 HB3 SER A 64 -9.746 7.648 -7.455 1.00 60.41 H new ATOM 0 HG SER A 64 -9.412 10.487 -7.191 1.00 14.13 H new ATOM 1031 N ARG A 65 -10.697 9.885 -9.972 1.00 43.13 N ATOM 1032 CA ARG A 65 -10.424 9.939 -11.400 1.00 0.43 C ATOM 1033 C ARG A 65 -9.259 9.022 -11.748 1.00 13.01 C ATOM 1034 O ARG A 65 -9.034 8.698 -12.912 1.00 21.12 O ATOM 1035 CB ARG A 65 -10.121 11.381 -11.828 1.00 2.42 C ATOM 1036 CG ARG A 65 -8.857 11.958 -11.210 1.00 31.24 C ATOM 1037 CD ARG A 65 -8.771 13.463 -11.415 1.00 34.04 C ATOM 1038 NE ARG A 65 -8.775 13.834 -12.829 1.00 4.11 N ATOM 1039 CZ ARG A 65 -9.608 14.731 -13.362 1.00 23.21 C ATOM 1040 NH1 ARG A 65 -10.529 15.318 -12.607 1.00 32.52 N ATOM 1041 NH2 ARG A 65 -9.519 15.037 -14.649 1.00 2.10 N ATOM 0 H ARG A 65 -10.406 10.716 -9.458 1.00 43.13 H new ATOM 0 HA ARG A 65 -11.307 9.597 -11.940 1.00 0.43 H new ATOM 0 HB2 ARG A 65 -10.030 11.415 -12.914 1.00 2.42 H new ATOM 0 HB3 ARG A 65 -10.966 12.014 -11.559 1.00 2.42 H new ATOM 0 HG2 ARG A 65 -8.837 11.734 -10.144 1.00 31.24 H new ATOM 0 HG3 ARG A 65 -7.983 11.479 -11.653 1.00 31.24 H new ATOM 0 HD2 ARG A 65 -9.611 13.944 -10.914 1.00 34.04 H new ATOM 0 HD3 ARG A 65 -7.862 13.839 -10.946 1.00 34.04 H new ATOM 0 HE ARG A 65 -8.101 13.380 -13.445 1.00 4.11 H new ATOM 0 HH11 ARG A 65 -10.602 15.084 -11.617 1.00 32.52 H new ATOM 0 HH12 ARG A 65 -11.164 16.003 -13.017 1.00 32.52 H new ATOM 0 HH21 ARG A 65 -8.814 14.587 -15.233 1.00 2.10 H new ATOM 0 HH22 ARG A 65 -10.156 15.722 -15.055 1.00 2.10 H new ATOM 1055 N LYS A 66 -8.522 8.602 -10.726 1.00 20.14 N ATOM 1056 CA LYS A 66 -7.397 7.707 -10.918 1.00 31.23 C ATOM 1057 C LYS A 66 -7.669 6.361 -10.261 1.00 10.30 C ATOM 1058 O LYS A 66 -8.051 6.302 -9.091 1.00 63.44 O ATOM 1059 CB LYS A 66 -6.121 8.331 -10.352 1.00 1.25 C ATOM 1060 CG LYS A 66 -4.901 7.434 -10.470 1.00 25.30 C ATOM 1061 CD LYS A 66 -3.616 8.198 -10.212 1.00 55.32 C ATOM 1062 CE LYS A 66 -3.403 9.290 -11.248 1.00 23.13 C ATOM 1063 NZ LYS A 66 -3.322 8.741 -12.629 1.00 51.41 N ATOM 0 H LYS A 66 -8.687 8.870 -9.756 1.00 20.14 H new ATOM 0 HA LYS A 66 -7.260 7.546 -11.987 1.00 31.23 H new ATOM 0 HB2 LYS A 66 -5.924 9.269 -10.872 1.00 1.25 H new ATOM 0 HB3 LYS A 66 -6.281 8.576 -9.302 1.00 1.25 H new ATOM 0 HG2 LYS A 66 -4.984 6.611 -9.760 1.00 25.30 H new ATOM 0 HG3 LYS A 66 -4.868 6.993 -11.466 1.00 25.30 H new ATOM 0 HD2 LYS A 66 -3.647 8.640 -9.216 1.00 55.32 H new ATOM 0 HD3 LYS A 66 -2.772 7.509 -10.228 1.00 55.32 H new ATOM 0 HE2 LYS A 66 -4.221 10.008 -11.191 1.00 23.13 H new ATOM 0 HE3 LYS A 66 -2.486 9.833 -11.019 1.00 23.13 H new ATOM 0 HZ1 LYS A 66 -2.945 9.468 -13.270 1.00 51.41 H new ATOM 0 HZ2 LYS A 66 -2.693 7.913 -12.637 1.00 51.41 H new ATOM 0 HZ3 LYS A 66 -4.271 8.458 -12.946 1.00 51.41 H new ATOM 1077 N VAL A 67 -7.467 5.289 -11.026 1.00 72.24 N ATOM 1078 CA VAL A 67 -7.690 3.926 -10.545 1.00 13.20 C ATOM 1079 C VAL A 67 -6.884 3.648 -9.272 1.00 41.34 C ATOM 1080 O VAL A 67 -7.416 3.133 -8.291 1.00 0.42 O ATOM 1081 CB VAL A 67 -7.330 2.892 -11.646 1.00 51.04 C ATOM 1082 CG1 VAL A 67 -5.927 3.121 -12.172 1.00 72.35 C ATOM 1083 CG2 VAL A 67 -7.474 1.462 -11.145 1.00 31.13 C ATOM 0 H VAL A 67 -7.146 5.340 -11.993 1.00 72.24 H new ATOM 0 HA VAL A 67 -8.749 3.828 -10.304 1.00 13.20 H new ATOM 0 HB VAL A 67 -8.038 3.037 -12.462 1.00 51.04 H new ATOM 0 HG11 VAL A 67 -5.702 2.383 -12.942 1.00 72.35 H new ATOM 0 HG12 VAL A 67 -5.857 4.122 -12.598 1.00 72.35 H new ATOM 0 HG13 VAL A 67 -5.212 3.023 -11.355 1.00 72.35 H new ATOM 0 HG21 VAL A 67 -7.213 0.768 -11.944 1.00 31.13 H new ATOM 0 HG22 VAL A 67 -6.808 1.305 -10.297 1.00 31.13 H new ATOM 0 HG23 VAL A 67 -8.504 1.287 -10.835 1.00 31.13 H new ATOM 1093 N ALA A 68 -5.608 4.018 -9.296 1.00 70.34 N ATOM 1094 CA ALA A 68 -4.708 3.803 -8.170 1.00 64.04 C ATOM 1095 C ALA A 68 -5.161 4.565 -6.926 1.00 5.24 C ATOM 1096 O ALA A 68 -5.101 4.039 -5.816 1.00 75.01 O ATOM 1097 CB ALA A 68 -3.295 4.216 -8.553 1.00 70.14 C ATOM 0 H ALA A 68 -5.170 4.475 -10.096 1.00 70.34 H new ATOM 0 HA ALA A 68 -4.725 2.741 -7.927 1.00 64.04 H new ATOM 0 HB1 ALA A 68 -2.627 4.053 -7.708 1.00 70.14 H new ATOM 0 HB2 ALA A 68 -2.959 3.620 -9.401 1.00 70.14 H new ATOM 0 HB3 ALA A 68 -3.286 5.271 -8.825 1.00 70.14 H new ATOM 1103 N ASN A 69 -5.622 5.798 -7.117 1.00 62.50 N ATOM 1104 CA ASN A 69 -6.046 6.635 -5.995 1.00 22.31 C ATOM 1105 C ASN A 69 -7.341 6.101 -5.398 1.00 42.13 C ATOM 1106 O ASN A 69 -7.455 5.929 -4.186 1.00 3.13 O ATOM 1107 CB ASN A 69 -6.248 8.085 -6.439 1.00 14.14 C ATOM 1108 CG ASN A 69 -6.431 9.027 -5.261 1.00 51.10 C ATOM 1109 OD1 ASN A 69 -5.876 8.810 -4.182 1.00 35.12 O ATOM 1110 ND2 ASN A 69 -7.217 10.072 -5.456 1.00 53.14 N ATOM 0 H ASN A 69 -5.712 6.239 -8.032 1.00 62.50 H new ATOM 0 HA ASN A 69 -5.260 6.607 -5.240 1.00 22.31 H new ATOM 0 HB2 ASN A 69 -5.389 8.406 -7.028 1.00 14.14 H new ATOM 0 HB3 ASN A 69 -7.121 8.146 -7.089 1.00 14.14 H new ATOM 0 HD21 ASN A 69 -7.382 10.734 -4.698 1.00 53.14 H new ATOM 0 HD22 ASN A 69 -7.658 10.216 -6.364 1.00 53.14 H new ATOM 1117 N ALA A 70 -8.306 5.837 -6.272 1.00 63.40 N ATOM 1118 CA ALA A 70 -9.590 5.263 -5.879 1.00 13.11 C ATOM 1119 C ALA A 70 -9.389 3.977 -5.094 1.00 60.21 C ATOM 1120 O ALA A 70 -9.985 3.762 -4.036 1.00 24.24 O ATOM 1121 CB ALA A 70 -10.410 4.980 -7.124 1.00 73.15 C ATOM 0 H ALA A 70 -8.221 6.014 -7.273 1.00 63.40 H new ATOM 0 HA ALA A 70 -10.114 5.975 -5.241 1.00 13.11 H new ATOM 0 HB1 ALA A 70 -11.370 4.551 -6.838 1.00 73.15 H new ATOM 0 HB2 ALA A 70 -10.576 5.909 -7.669 1.00 73.15 H new ATOM 0 HB3 ALA A 70 -9.874 4.276 -7.761 1.00 73.15 H new ATOM 1127 N LYS A 71 -8.526 3.139 -5.631 1.00 72.04 N ATOM 1128 CA LYS A 71 -8.203 1.856 -5.047 1.00 22.32 C ATOM 1129 C LYS A 71 -7.542 2.046 -3.684 1.00 20.20 C ATOM 1130 O LYS A 71 -7.829 1.319 -2.735 1.00 52.32 O ATOM 1131 CB LYS A 71 -7.266 1.149 -6.008 1.00 33.24 C ATOM 1132 CG LYS A 71 -7.396 -0.354 -6.060 1.00 24.03 C ATOM 1133 CD LYS A 71 -6.657 -0.897 -7.273 1.00 60.32 C ATOM 1134 CE LYS A 71 -5.266 -0.294 -7.384 1.00 50.42 C ATOM 1135 NZ LYS A 71 -4.494 -0.867 -8.518 1.00 61.33 N ATOM 0 H LYS A 71 -8.023 3.334 -6.497 1.00 72.04 H new ATOM 0 HA LYS A 71 -9.103 1.262 -4.890 1.00 22.32 H new ATOM 0 HB2 LYS A 71 -7.435 1.545 -7.009 1.00 33.24 H new ATOM 0 HB3 LYS A 71 -6.240 1.398 -5.736 1.00 33.24 H new ATOM 0 HG2 LYS A 71 -6.990 -0.794 -5.149 1.00 24.03 H new ATOM 0 HG3 LYS A 71 -8.448 -0.635 -6.109 1.00 24.03 H new ATOM 0 HD2 LYS A 71 -6.581 -1.982 -7.200 1.00 60.32 H new ATOM 0 HD3 LYS A 71 -7.225 -0.677 -8.177 1.00 60.32 H new ATOM 0 HE2 LYS A 71 -5.349 0.785 -7.512 1.00 50.42 H new ATOM 0 HE3 LYS A 71 -4.723 -0.464 -6.454 1.00 50.42 H new ATOM 0 HZ1 LYS A 71 -3.553 -0.427 -8.555 1.00 61.33 H new ATOM 0 HZ2 LYS A 71 -4.391 -1.893 -8.385 1.00 61.33 H new ATOM 0 HZ3 LYS A 71 -4.998 -0.683 -9.409 1.00 61.33 H new ATOM 1149 N TYR A 72 -6.662 3.040 -3.603 1.00 22.23 N ATOM 1150 CA TYR A 72 -6.009 3.406 -2.351 1.00 45.12 C ATOM 1151 C TYR A 72 -7.048 3.708 -1.279 1.00 72.13 C ATOM 1152 O TYR A 72 -6.977 3.191 -0.166 1.00 40.12 O ATOM 1153 CB TYR A 72 -5.107 4.629 -2.575 1.00 71.11 C ATOM 1154 CG TYR A 72 -4.663 5.330 -1.305 1.00 53.15 C ATOM 1155 CD1 TYR A 72 -3.556 4.890 -0.589 1.00 54.32 C ATOM 1156 CD2 TYR A 72 -5.353 6.441 -0.827 1.00 11.24 C ATOM 1157 CE1 TYR A 72 -3.152 5.534 0.566 1.00 2.54 C ATOM 1158 CE2 TYR A 72 -4.953 7.090 0.326 1.00 43.15 C ATOM 1159 CZ TYR A 72 -3.853 6.632 1.019 1.00 63.14 C ATOM 1160 OH TYR A 72 -3.451 7.273 2.169 1.00 60.42 O ATOM 0 H TYR A 72 -6.383 3.612 -4.400 1.00 22.23 H new ATOM 0 HA TYR A 72 -5.398 2.569 -2.013 1.00 45.12 H new ATOM 0 HB2 TYR A 72 -4.222 4.314 -3.129 1.00 71.11 H new ATOM 0 HB3 TYR A 72 -5.638 5.345 -3.203 1.00 71.11 H new ATOM 0 HD1 TYR A 72 -3.003 4.032 -0.940 1.00 54.32 H new ATOM 0 HD2 TYR A 72 -6.216 6.802 -1.367 1.00 11.24 H new ATOM 0 HE1 TYR A 72 -2.290 5.178 1.112 1.00 2.54 H new ATOM 0 HE2 TYR A 72 -5.499 7.951 0.682 1.00 43.15 H new ATOM 0 HH TYR A 72 -4.050 8.027 2.350 1.00 60.42 H new ATOM 1170 N ILE A 73 -8.019 4.534 -1.645 1.00 10.24 N ATOM 1171 CA ILE A 73 -9.062 4.969 -0.730 1.00 71.41 C ATOM 1172 C ILE A 73 -9.806 3.784 -0.124 1.00 44.30 C ATOM 1173 O ILE A 73 -9.865 3.645 1.099 1.00 40.15 O ATOM 1174 CB ILE A 73 -10.063 5.890 -1.449 1.00 11.25 C ATOM 1175 CG1 ILE A 73 -9.331 7.117 -1.991 1.00 54.43 C ATOM 1176 CG2 ILE A 73 -11.192 6.300 -0.509 1.00 31.44 C ATOM 1177 CD1 ILE A 73 -10.083 7.830 -3.084 1.00 10.14 C ATOM 0 H ILE A 73 -8.104 4.921 -2.585 1.00 10.24 H new ATOM 0 HA ILE A 73 -8.577 5.520 0.076 1.00 71.41 H new ATOM 0 HB ILE A 73 -10.509 5.348 -2.283 1.00 11.25 H new ATOM 0 HG12 ILE A 73 -9.149 7.813 -1.172 1.00 54.43 H new ATOM 0 HG13 ILE A 73 -8.357 6.811 -2.371 1.00 54.43 H new ATOM 0 HG21 ILE A 73 -11.888 6.951 -1.038 1.00 31.44 H new ATOM 0 HG22 ILE A 73 -11.719 5.411 -0.163 1.00 31.44 H new ATOM 0 HG23 ILE A 73 -10.777 6.832 0.347 1.00 31.44 H new ATOM 0 HD11 ILE A 73 -9.505 8.690 -3.422 1.00 10.14 H new ATOM 0 HD12 ILE A 73 -10.242 7.149 -3.920 1.00 10.14 H new ATOM 0 HD13 ILE A 73 -11.047 8.167 -2.702 1.00 10.14 H new ATOM 1189 N MET A 74 -10.358 2.927 -0.978 1.00 5.31 N ATOM 1190 CA MET A 74 -11.121 1.777 -0.507 1.00 54.31 C ATOM 1191 C MET A 74 -10.245 0.849 0.342 1.00 43.33 C ATOM 1192 O MET A 74 -10.691 0.339 1.368 1.00 50.54 O ATOM 1193 CB MET A 74 -11.739 0.998 -1.675 1.00 32.03 C ATOM 1194 CG MET A 74 -10.716 0.371 -2.591 1.00 33.25 C ATOM 1195 SD MET A 74 -11.397 -0.957 -3.589 1.00 65.30 S ATOM 1196 CE MET A 74 -9.983 -2.045 -3.588 1.00 63.22 C ATOM 0 H MET A 74 -10.292 3.006 -1.993 1.00 5.31 H new ATOM 0 HA MET A 74 -11.932 2.157 0.115 1.00 54.31 H new ATOM 0 HB2 MET A 74 -12.386 0.216 -1.277 1.00 32.03 H new ATOM 0 HB3 MET A 74 -12.371 1.670 -2.256 1.00 32.03 H new ATOM 0 HG2 MET A 74 -10.304 1.138 -3.247 1.00 33.25 H new ATOM 0 HG3 MET A 74 -9.890 -0.016 -1.995 1.00 33.25 H new ATOM 0 HE1 MET A 74 -10.213 -2.940 -4.166 1.00 63.22 H new ATOM 0 HE2 MET A 74 -9.130 -1.534 -4.035 1.00 63.22 H new ATOM 0 HE3 MET A 74 -9.741 -2.326 -2.563 1.00 63.22 H new ATOM 1206 N LYS A 75 -8.994 0.653 -0.071 1.00 71.34 N ATOM 1207 CA LYS A 75 -8.068 -0.199 0.673 1.00 22.44 C ATOM 1208 C LYS A 75 -7.854 0.340 2.083 1.00 73.22 C ATOM 1209 O LYS A 75 -7.919 -0.404 3.059 1.00 4.33 O ATOM 1210 CB LYS A 75 -6.732 -0.301 -0.064 1.00 22.50 C ATOM 1211 CG LYS A 75 -6.785 -1.205 -1.285 1.00 22.12 C ATOM 1212 CD LYS A 75 -5.588 -0.983 -2.192 1.00 2.41 C ATOM 1213 CE LYS A 75 -5.617 -1.903 -3.401 1.00 64.32 C ATOM 1214 NZ LYS A 75 -5.214 -3.297 -3.083 1.00 4.14 N ATOM 0 H LYS A 75 -8.599 1.071 -0.914 1.00 71.34 H new ATOM 0 HA LYS A 75 -8.504 -1.195 0.749 1.00 22.44 H new ATOM 0 HB2 LYS A 75 -6.418 0.696 -0.373 1.00 22.50 H new ATOM 0 HB3 LYS A 75 -5.974 -0.675 0.624 1.00 22.50 H new ATOM 0 HG2 LYS A 75 -6.814 -2.247 -0.967 1.00 22.12 H new ATOM 0 HG3 LYS A 75 -7.704 -1.016 -1.840 1.00 22.12 H new ATOM 0 HD2 LYS A 75 -5.572 0.055 -2.525 1.00 2.41 H new ATOM 0 HD3 LYS A 75 -4.670 -1.151 -1.629 1.00 2.41 H new ATOM 0 HE2 LYS A 75 -6.623 -1.909 -3.821 1.00 64.32 H new ATOM 0 HE3 LYS A 75 -4.953 -1.505 -4.169 1.00 64.32 H new ATOM 0 HZ1 LYS A 75 -4.368 -3.548 -3.633 1.00 4.14 H new ATOM 0 HZ2 LYS A 75 -5.002 -3.374 -2.068 1.00 4.14 H new ATOM 0 HZ3 LYS A 75 -5.989 -3.946 -3.325 1.00 4.14 H new ATOM 1228 N GLN A 76 -7.632 1.645 2.181 1.00 32.32 N ATOM 1229 CA GLN A 76 -7.429 2.299 3.471 1.00 74.13 C ATOM 1230 C GLN A 76 -8.657 2.138 4.366 1.00 11.10 C ATOM 1231 O GLN A 76 -8.555 2.196 5.591 1.00 22.11 O ATOM 1232 CB GLN A 76 -7.128 3.783 3.269 1.00 51.55 C ATOM 1233 CG GLN A 76 -5.843 4.045 2.504 1.00 40.04 C ATOM 1234 CD GLN A 76 -4.603 3.683 3.293 1.00 65.30 C ATOM 1235 OE1 GLN A 76 -4.119 2.550 3.242 1.00 30.31 O ATOM 1236 NE2 GLN A 76 -4.065 4.655 4.006 1.00 21.32 N ATOM 0 H GLN A 76 -7.588 2.275 1.380 1.00 32.32 H new ATOM 0 HA GLN A 76 -6.580 1.823 3.961 1.00 74.13 H new ATOM 0 HB2 GLN A 76 -7.959 4.244 2.735 1.00 51.55 H new ATOM 0 HB3 GLN A 76 -7.066 4.268 4.243 1.00 51.55 H new ATOM 0 HG2 GLN A 76 -5.856 3.474 1.576 1.00 40.04 H new ATOM 0 HG3 GLN A 76 -5.798 5.099 2.230 1.00 40.04 H new ATOM 0 HE21 GLN A 76 -4.499 5.578 4.020 1.00 21.32 H new ATOM 0 HE22 GLN A 76 -3.215 4.483 4.543 1.00 21.32 H new ATOM 1245 N ARG A 77 -9.815 1.924 3.745 1.00 62.33 N ATOM 1246 CA ARG A 77 -11.064 1.777 4.480 1.00 22.22 C ATOM 1247 C ARG A 77 -11.057 0.513 5.318 1.00 40.10 C ATOM 1248 O ARG A 77 -11.086 0.586 6.545 1.00 70.43 O ATOM 1249 CB ARG A 77 -12.256 1.768 3.529 1.00 33.22 C ATOM 1250 CG ARG A 77 -12.393 3.057 2.750 1.00 25.31 C ATOM 1251 CD ARG A 77 -12.608 4.237 3.679 1.00 2.34 C ATOM 1252 NE ARG A 77 -12.259 5.506 3.047 1.00 10.12 N ATOM 1253 CZ ARG A 77 -12.893 6.649 3.281 1.00 44.21 C ATOM 1254 NH1 ARG A 77 -13.950 6.666 4.084 1.00 43.51 N ATOM 1255 NH2 ARG A 77 -12.471 7.768 2.708 1.00 51.13 N ATOM 0 H ARG A 77 -9.912 1.849 2.732 1.00 62.33 H new ATOM 0 HA ARG A 77 -11.157 2.634 5.148 1.00 22.22 H new ATOM 0 HB2 ARG A 77 -12.153 0.937 2.832 1.00 33.22 H new ATOM 0 HB3 ARG A 77 -13.169 1.594 4.099 1.00 33.22 H new ATOM 0 HG2 ARG A 77 -11.497 3.220 2.151 1.00 25.31 H new ATOM 0 HG3 ARG A 77 -13.230 2.979 2.056 1.00 25.31 H new ATOM 0 HD2 ARG A 77 -13.651 4.264 3.994 1.00 2.34 H new ATOM 0 HD3 ARG A 77 -12.007 4.103 4.579 1.00 2.34 H new ATOM 0 HE ARG A 77 -11.482 5.515 2.386 1.00 10.12 H new ATOM 0 HH11 ARG A 77 -14.273 5.802 4.520 1.00 43.51 H new ATOM 0 HH12 ARG A 77 -14.439 7.543 4.265 1.00 43.51 H new ATOM 0 HH21 ARG A 77 -11.661 7.750 2.089 1.00 51.13 H new ATOM 0 HH22 ARG A 77 -12.957 8.647 2.887 1.00 51.13 H new ATOM 1269 N LEU A 78 -11.006 -0.648 4.668 1.00 20.32 N ATOM 1270 CA LEU A 78 -10.979 -1.902 5.418 1.00 31.22 C ATOM 1271 C LEU A 78 -9.731 -1.966 6.283 1.00 14.34 C ATOM 1272 O LEU A 78 -9.766 -2.520 7.378 1.00 51.33 O ATOM 1273 CB LEU A 78 -11.014 -3.153 4.536 1.00 55.22 C ATOM 1274 CG LEU A 78 -11.773 -3.051 3.216 1.00 43.30 C ATOM 1275 CD1 LEU A 78 -10.843 -2.624 2.091 1.00 3.10 C ATOM 1276 CD2 LEU A 78 -12.410 -4.382 2.882 1.00 24.25 C ATOM 0 H LEU A 78 -10.983 -0.747 3.653 1.00 20.32 H new ATOM 0 HA LEU A 78 -11.886 -1.901 6.023 1.00 31.22 H new ATOM 0 HB2 LEU A 78 -9.986 -3.439 4.314 1.00 55.22 H new ATOM 0 HB3 LEU A 78 -11.453 -3.964 5.117 1.00 55.22 H new ATOM 0 HG LEU A 78 -12.552 -2.297 3.324 1.00 43.30 H new ATOM 0 HD11 LEU A 78 -11.405 -2.558 1.160 1.00 3.10 H new ATOM 0 HD12 LEU A 78 -10.412 -1.650 2.325 1.00 3.10 H new ATOM 0 HD13 LEU A 78 -10.044 -3.357 1.981 1.00 3.10 H new ATOM 0 HD21 LEU A 78 -12.950 -4.301 1.939 1.00 24.25 H new ATOM 0 HD22 LEU A 78 -11.636 -5.144 2.792 1.00 24.25 H new ATOM 0 HD23 LEU A 78 -13.104 -4.662 3.674 1.00 24.25 H new ATOM 1288 N LEU A 79 -8.633 -1.396 5.786 1.00 40.44 N ATOM 1289 CA LEU A 79 -7.386 -1.355 6.541 1.00 72.43 C ATOM 1290 C LEU A 79 -7.614 -0.770 7.918 1.00 3.15 C ATOM 1291 O LEU A 79 -7.356 -1.412 8.931 1.00 33.24 O ATOM 1292 CB LEU A 79 -6.329 -0.506 5.844 1.00 2.14 C ATOM 1293 CG LEU A 79 -5.148 -0.151 6.748 1.00 73.41 C ATOM 1294 CD1 LEU A 79 -4.169 -1.307 6.841 1.00 14.21 C ATOM 1295 CD2 LEU A 79 -4.470 1.120 6.283 1.00 3.23 C ATOM 0 H LEU A 79 -8.584 -0.958 4.866 1.00 40.44 H new ATOM 0 HA LEU A 79 -7.035 -2.384 6.614 1.00 72.43 H new ATOM 0 HB2 LEU A 79 -5.960 -1.042 4.970 1.00 2.14 H new ATOM 0 HB3 LEU A 79 -6.791 0.413 5.483 1.00 2.14 H new ATOM 0 HG LEU A 79 -5.532 0.034 7.751 1.00 73.41 H new ATOM 0 HD11 LEU A 79 -3.338 -1.029 7.490 1.00 14.21 H new ATOM 0 HD12 LEU A 79 -4.675 -2.180 7.253 1.00 14.21 H new ATOM 0 HD13 LEU A 79 -3.790 -1.543 5.847 1.00 14.21 H new ATOM 0 HD21 LEU A 79 -3.634 1.349 6.944 1.00 3.23 H new ATOM 0 HD22 LEU A 79 -4.102 0.985 5.266 1.00 3.23 H new ATOM 0 HD23 LEU A 79 -5.185 1.942 6.304 1.00 3.23 H new ATOM 1307 N LYS A 80 -8.108 0.457 7.944 1.00 51.31 N ATOM 1308 CA LYS A 80 -8.333 1.151 9.193 1.00 55.42 C ATOM 1309 C LYS A 80 -9.295 0.365 10.068 1.00 71.43 C ATOM 1310 O LYS A 80 -9.218 0.423 11.283 1.00 43.32 O ATOM 1311 CB LYS A 80 -8.877 2.560 8.955 1.00 72.44 C ATOM 1312 CG LYS A 80 -7.881 3.668 9.273 1.00 74.32 C ATOM 1313 CD LYS A 80 -7.449 3.648 10.738 1.00 10.30 C ATOM 1314 CE LYS A 80 -8.639 3.720 11.687 1.00 30.50 C ATOM 1315 NZ LYS A 80 -8.216 3.889 13.106 1.00 10.21 N ATOM 0 H LYS A 80 -8.360 0.990 7.112 1.00 51.31 H new ATOM 0 HA LYS A 80 -7.374 1.238 9.703 1.00 55.42 H new ATOM 0 HB2 LYS A 80 -9.184 2.649 7.913 1.00 72.44 H new ATOM 0 HB3 LYS A 80 -9.770 2.702 9.564 1.00 72.44 H new ATOM 0 HG2 LYS A 80 -7.004 3.560 8.635 1.00 74.32 H new ATOM 0 HG3 LYS A 80 -8.328 4.635 9.040 1.00 74.32 H new ATOM 0 HD2 LYS A 80 -6.882 2.738 10.936 1.00 10.30 H new ATOM 0 HD3 LYS A 80 -6.781 4.488 10.930 1.00 10.30 H new ATOM 0 HE2 LYS A 80 -9.282 4.552 11.399 1.00 30.50 H new ATOM 0 HE3 LYS A 80 -9.233 2.811 11.592 1.00 30.50 H new ATOM 0 HZ1 LYS A 80 -9.008 3.648 13.735 1.00 10.21 H new ATOM 0 HZ2 LYS A 80 -7.412 3.261 13.306 1.00 10.21 H new ATOM 0 HZ3 LYS A 80 -7.933 4.876 13.269 1.00 10.21 H new ATOM 1329 N LEU A 81 -10.183 -0.390 9.439 1.00 3.10 N ATOM 1330 CA LEU A 81 -11.145 -1.197 10.170 1.00 74.25 C ATOM 1331 C LEU A 81 -10.460 -2.375 10.854 1.00 62.12 C ATOM 1332 O LEU A 81 -10.781 -2.696 11.992 1.00 21.22 O ATOM 1333 CB LEU A 81 -12.263 -1.676 9.239 1.00 13.32 C ATOM 1334 CG LEU A 81 -13.088 -0.554 8.606 1.00 42.41 C ATOM 1335 CD1 LEU A 81 -14.155 -1.121 7.688 1.00 12.04 C ATOM 1336 CD2 LEU A 81 -13.718 0.318 9.680 1.00 34.02 C ATOM 0 H LEU A 81 -10.257 -0.460 8.424 1.00 3.10 H new ATOM 0 HA LEU A 81 -11.592 -0.576 10.946 1.00 74.25 H new ATOM 0 HB2 LEU A 81 -11.823 -2.279 8.444 1.00 13.32 H new ATOM 0 HB3 LEU A 81 -12.931 -2.328 9.801 1.00 13.32 H new ATOM 0 HG LEU A 81 -12.418 0.064 8.009 1.00 42.41 H new ATOM 0 HD11 LEU A 81 -14.729 -0.305 7.249 1.00 12.04 H new ATOM 0 HD12 LEU A 81 -13.682 -1.700 6.894 1.00 12.04 H new ATOM 0 HD13 LEU A 81 -14.821 -1.767 8.260 1.00 12.04 H new ATOM 0 HD21 LEU A 81 -14.301 1.110 9.210 1.00 34.02 H new ATOM 0 HD22 LEU A 81 -14.371 -0.290 10.306 1.00 34.02 H new ATOM 0 HD23 LEU A 81 -12.935 0.760 10.295 1.00 34.02 H new ATOM 1348 N LEU A 82 -9.498 -2.999 10.180 1.00 21.32 N ATOM 1349 CA LEU A 82 -8.765 -4.119 10.770 1.00 13.01 C ATOM 1350 C LEU A 82 -7.655 -3.623 11.703 1.00 33.01 C ATOM 1351 O LEU A 82 -7.198 -4.356 12.583 1.00 22.21 O ATOM 1352 CB LEU A 82 -8.205 -5.049 9.683 1.00 32.42 C ATOM 1353 CG LEU A 82 -7.420 -4.383 8.552 1.00 75.44 C ATOM 1354 CD1 LEU A 82 -5.918 -4.538 8.748 1.00 60.32 C ATOM 1355 CD2 LEU A 82 -7.840 -4.963 7.215 1.00 73.15 C ATOM 0 H LEU A 82 -9.208 -2.753 9.234 1.00 21.32 H new ATOM 0 HA LEU A 82 -9.467 -4.697 11.370 1.00 13.01 H new ATOM 0 HB2 LEU A 82 -7.556 -5.782 10.163 1.00 32.42 H new ATOM 0 HB3 LEU A 82 -9.037 -5.599 9.243 1.00 32.42 H new ATOM 0 HG LEU A 82 -7.647 -3.317 8.567 1.00 75.44 H new ATOM 0 HD11 LEU A 82 -5.392 -4.053 7.926 1.00 60.32 H new ATOM 0 HD12 LEU A 82 -5.624 -4.075 9.690 1.00 60.32 H new ATOM 0 HD13 LEU A 82 -5.661 -5.597 8.768 1.00 60.32 H new ATOM 0 HD21 LEU A 82 -7.275 -4.482 6.416 1.00 73.15 H new ATOM 0 HD22 LEU A 82 -7.642 -6.035 7.205 1.00 73.15 H new ATOM 0 HD23 LEU A 82 -8.905 -4.789 7.062 1.00 73.15 H new ATOM 1367 N GLU A 83 -7.222 -2.381 11.507 1.00 51.34 N ATOM 1368 CA GLU A 83 -6.262 -1.751 12.410 1.00 2.41 C ATOM 1369 C GLU A 83 -6.960 -1.240 13.672 1.00 3.30 C ATOM 1370 O GLU A 83 -6.427 -1.334 14.776 1.00 13.34 O ATOM 1371 CB GLU A 83 -5.556 -0.590 11.705 1.00 13.25 C ATOM 1372 CG GLU A 83 -4.711 -1.015 10.514 1.00 21.24 C ATOM 1373 CD GLU A 83 -3.396 -1.656 10.914 1.00 13.42 C ATOM 1374 OE1 GLU A 83 -2.400 -0.920 11.065 1.00 0.11 O ATOM 1375 OE2 GLU A 83 -3.344 -2.891 11.074 1.00 25.52 O ATOM 0 H GLU A 83 -7.520 -1.790 10.731 1.00 51.34 H new ATOM 0 HA GLU A 83 -5.524 -2.500 12.697 1.00 2.41 H new ATOM 0 HB2 GLU A 83 -6.305 0.128 11.369 1.00 13.25 H new ATOM 0 HB3 GLU A 83 -4.920 -0.074 12.424 1.00 13.25 H new ATOM 0 HG2 GLU A 83 -5.280 -1.717 9.905 1.00 21.24 H new ATOM 0 HG3 GLU A 83 -4.509 -0.144 9.891 1.00 21.24 H new ATOM 1382 N ASP A 84 -8.164 -0.714 13.494 1.00 72.41 N ATOM 1383 CA ASP A 84 -8.931 -0.122 14.590 1.00 41.10 C ATOM 1384 C ASP A 84 -9.770 -1.188 15.280 1.00 11.15 C ATOM 1385 O ASP A 84 -10.223 -1.005 16.411 1.00 72.11 O ATOM 1386 CB ASP A 84 -9.848 0.979 14.042 1.00 40.24 C ATOM 1387 CG ASP A 84 -10.347 1.937 15.101 1.00 25.40 C ATOM 1388 OD1 ASP A 84 -11.360 1.636 15.765 1.00 60.51 O ATOM 1389 OD2 ASP A 84 -9.732 3.014 15.252 1.00 3.44 O ATOM 0 H ASP A 84 -8.638 -0.684 12.591 1.00 72.41 H new ATOM 0 HA ASP A 84 -8.238 0.307 15.314 1.00 41.10 H new ATOM 0 HB2 ASP A 84 -9.310 1.542 13.280 1.00 40.24 H new ATOM 0 HB3 ASP A 84 -10.704 0.516 13.551 1.00 40.24 H new ATOM 1394 N LYS A 85 -9.969 -2.302 14.576 1.00 72.44 N ATOM 1395 CA LYS A 85 -10.793 -3.406 15.058 1.00 23.14 C ATOM 1396 C LYS A 85 -12.248 -2.963 15.187 1.00 74.01 C ATOM 1397 O LYS A 85 -12.965 -3.370 16.103 1.00 14.55 O ATOM 1398 CB LYS A 85 -10.253 -3.953 16.385 1.00 23.42 C ATOM 1399 CG LYS A 85 -8.843 -4.519 16.272 1.00 61.40 C ATOM 1400 CD LYS A 85 -8.789 -5.765 15.390 1.00 1.32 C ATOM 1401 CE LYS A 85 -9.057 -7.046 16.177 1.00 75.12 C ATOM 1402 NZ LYS A 85 -10.445 -7.125 16.713 1.00 51.23 N ATOM 0 H LYS A 85 -9.562 -2.463 13.655 1.00 72.44 H new ATOM 0 HA LYS A 85 -10.750 -4.216 14.330 1.00 23.14 H new ATOM 0 HB2 LYS A 85 -10.259 -3.156 17.128 1.00 23.42 H new ATOM 0 HB3 LYS A 85 -10.922 -4.733 16.748 1.00 23.42 H new ATOM 0 HG2 LYS A 85 -8.180 -3.757 15.862 1.00 61.40 H new ATOM 0 HG3 LYS A 85 -8.471 -4.764 17.267 1.00 61.40 H new ATOM 0 HD2 LYS A 85 -9.523 -5.673 14.590 1.00 1.32 H new ATOM 0 HD3 LYS A 85 -7.809 -5.830 14.917 1.00 1.32 H new ATOM 0 HE2 LYS A 85 -8.874 -7.906 15.533 1.00 75.12 H new ATOM 0 HE3 LYS A 85 -8.350 -7.111 17.004 1.00 75.12 H new ATOM 0 HZ1 LYS A 85 -10.665 -8.110 16.963 1.00 51.23 H new ATOM 0 HZ2 LYS A 85 -10.525 -6.527 17.560 1.00 51.23 H new ATOM 0 HZ3 LYS A 85 -11.115 -6.793 15.991 1.00 51.23 H new ATOM 1416 N SER A 86 -12.675 -2.136 14.238 1.00 62.21 N ATOM 1417 CA SER A 86 -14.044 -1.655 14.186 1.00 64.12 C ATOM 1418 C SER A 86 -14.968 -2.752 13.650 1.00 44.53 C ATOM 1419 O SER A 86 -14.577 -3.534 12.781 1.00 61.32 O ATOM 1420 CB SER A 86 -14.122 -0.410 13.297 1.00 24.44 C ATOM 1421 OG SER A 86 -13.198 0.584 13.717 1.00 41.51 O ATOM 0 H SER A 86 -12.081 -1.784 13.487 1.00 62.21 H new ATOM 0 HA SER A 86 -14.369 -1.391 15.192 1.00 64.12 H new ATOM 0 HB2 SER A 86 -13.917 -0.686 12.263 1.00 24.44 H new ATOM 0 HB3 SER A 86 -15.133 -0.004 13.324 1.00 24.44 H new ATOM 0 HG SER A 86 -12.907 0.394 14.633 1.00 41.51 H new ATOM 1427 N ASN A 87 -16.199 -2.790 14.145 1.00 43.21 N ATOM 1428 CA ASN A 87 -17.129 -3.876 13.823 1.00 33.41 C ATOM 1429 C ASN A 87 -17.703 -3.739 12.415 1.00 40.32 C ATOM 1430 O ASN A 87 -18.470 -4.586 11.970 1.00 41.33 O ATOM 1431 CB ASN A 87 -18.279 -3.924 14.836 1.00 1.24 C ATOM 1432 CG ASN A 87 -19.202 -2.717 14.754 1.00 54.43 C ATOM 1433 OD1 ASN A 87 -18.982 -1.706 15.425 1.00 41.24 O ATOM 1434 ND2 ASN A 87 -20.252 -2.817 13.948 1.00 10.40 N ATOM 0 H ASN A 87 -16.581 -2.082 14.772 1.00 43.21 H new ATOM 0 HA ASN A 87 -16.559 -4.804 13.872 1.00 33.41 H new ATOM 0 HB2 ASN A 87 -18.862 -4.830 14.672 1.00 1.24 H new ATOM 0 HB3 ASN A 87 -17.865 -3.989 15.842 1.00 1.24 H new ATOM 0 HD21 ASN A 87 -20.910 -2.041 13.868 1.00 10.40 H new ATOM 0 HD22 ASN A 87 -20.401 -3.670 13.408 1.00 10.40 H new ATOM 1441 N LEU A 88 -17.326 -2.684 11.713 1.00 30.55 N ATOM 1442 CA LEU A 88 -17.889 -2.414 10.393 1.00 52.24 C ATOM 1443 C LEU A 88 -17.498 -3.487 9.383 1.00 60.31 C ATOM 1444 O LEU A 88 -18.310 -3.884 8.549 1.00 10.32 O ATOM 1445 CB LEU A 88 -17.470 -1.033 9.882 1.00 42.53 C ATOM 1446 CG LEU A 88 -18.067 0.157 10.639 1.00 23.52 C ATOM 1447 CD1 LEU A 88 -19.550 -0.067 10.901 1.00 44.14 C ATOM 1448 CD2 LEU A 88 -17.318 0.412 11.938 1.00 40.10 C ATOM 0 H LEU A 88 -16.637 -2.002 12.029 1.00 30.55 H new ATOM 0 HA LEU A 88 -18.973 -2.430 10.502 1.00 52.24 H new ATOM 0 HB2 LEU A 88 -16.383 -0.962 9.927 1.00 42.53 H new ATOM 0 HB3 LEU A 88 -17.752 -0.952 8.832 1.00 42.53 H new ATOM 0 HG LEU A 88 -17.959 1.044 10.015 1.00 23.52 H new ATOM 0 HD11 LEU A 88 -19.958 0.788 11.440 1.00 44.14 H new ATOM 0 HD12 LEU A 88 -20.074 -0.181 9.952 1.00 44.14 H new ATOM 0 HD13 LEU A 88 -19.682 -0.969 11.499 1.00 44.14 H new ATOM 0 HD21 LEU A 88 -17.764 1.262 12.454 1.00 40.10 H new ATOM 0 HD22 LEU A 88 -17.380 -0.471 12.573 1.00 40.10 H new ATOM 0 HD23 LEU A 88 -16.272 0.628 11.719 1.00 40.10 H new ATOM 1460 N LEU A 89 -16.262 -3.964 9.457 1.00 15.44 N ATOM 1461 CA LEU A 89 -15.815 -5.015 8.551 1.00 13.34 C ATOM 1462 C LEU A 89 -15.618 -6.326 9.303 1.00 60.32 C ATOM 1463 O LEU A 89 -15.586 -7.404 8.715 1.00 22.22 O ATOM 1464 CB LEU A 89 -14.514 -4.611 7.844 1.00 4.24 C ATOM 1465 CG LEU A 89 -13.877 -5.713 7.013 1.00 30.24 C ATOM 1466 CD1 LEU A 89 -14.492 -5.780 5.629 1.00 34.02 C ATOM 1467 CD2 LEU A 89 -12.377 -5.515 6.954 1.00 54.14 C ATOM 0 H LEU A 89 -15.560 -3.646 10.125 1.00 15.44 H new ATOM 0 HA LEU A 89 -16.588 -5.158 7.796 1.00 13.34 H new ATOM 0 HB2 LEU A 89 -14.717 -3.758 7.197 1.00 4.24 H new ATOM 0 HB3 LEU A 89 -13.796 -4.279 8.594 1.00 4.24 H new ATOM 0 HG LEU A 89 -14.073 -6.672 7.492 1.00 30.24 H new ATOM 0 HD11 LEU A 89 -14.016 -6.577 5.058 1.00 34.02 H new ATOM 0 HD12 LEU A 89 -15.560 -5.982 5.715 1.00 34.02 H new ATOM 0 HD13 LEU A 89 -14.343 -4.829 5.118 1.00 34.02 H new ATOM 0 HD21 LEU A 89 -11.928 -6.309 6.357 1.00 54.14 H new ATOM 0 HD22 LEU A 89 -12.155 -4.549 6.500 1.00 54.14 H new ATOM 0 HD23 LEU A 89 -11.966 -5.544 7.963 1.00 54.14 H new ATOM 1479 N LEU A 90 -15.518 -6.227 10.608 1.00 64.43 N ATOM 1480 CA LEU A 90 -15.133 -7.365 11.429 1.00 1.13 C ATOM 1481 C LEU A 90 -16.292 -7.911 12.261 1.00 34.43 C ATOM 1482 O LEU A 90 -16.071 -8.675 13.199 1.00 72.22 O ATOM 1483 CB LEU A 90 -13.998 -6.934 12.343 1.00 1.53 C ATOM 1484 CG LEU A 90 -12.875 -6.191 11.628 1.00 61.02 C ATOM 1485 CD1 LEU A 90 -12.013 -5.459 12.629 1.00 11.33 C ATOM 1486 CD2 LEU A 90 -12.035 -7.142 10.797 1.00 2.15 C ATOM 0 H LEU A 90 -15.697 -5.370 11.131 1.00 64.43 H new ATOM 0 HA LEU A 90 -14.818 -8.171 10.767 1.00 1.13 H new ATOM 0 HB2 LEU A 90 -14.401 -6.294 13.129 1.00 1.53 H new ATOM 0 HB3 LEU A 90 -13.583 -7.816 12.831 1.00 1.53 H new ATOM 0 HG LEU A 90 -13.324 -5.463 10.953 1.00 61.02 H new ATOM 0 HD11 LEU A 90 -11.215 -4.933 12.106 1.00 11.33 H new ATOM 0 HD12 LEU A 90 -12.622 -4.741 13.178 1.00 11.33 H new ATOM 0 HD13 LEU A 90 -11.579 -6.175 13.327 1.00 11.33 H new ATOM 0 HD21 LEU A 90 -11.242 -6.586 10.298 1.00 2.15 H new ATOM 0 HD22 LEU A 90 -11.595 -7.900 11.445 1.00 2.15 H new ATOM 0 HD23 LEU A 90 -12.664 -7.625 10.050 1.00 2.15 H new ATOM 1498 N TYR A 91 -17.518 -7.530 11.920 1.00 52.45 N ATOM 1499 CA TYR A 91 -18.686 -8.025 12.642 1.00 45.22 C ATOM 1500 C TYR A 91 -18.875 -9.520 12.398 1.00 73.11 C ATOM 1501 O TYR A 91 -18.423 -10.061 11.380 1.00 51.15 O ATOM 1502 CB TYR A 91 -19.955 -7.270 12.220 1.00 44.14 C ATOM 1503 CG TYR A 91 -20.393 -7.538 10.795 1.00 33.52 C ATOM 1504 CD1 TYR A 91 -21.127 -8.676 10.475 1.00 72.11 C ATOM 1505 CD2 TYR A 91 -20.071 -6.657 9.771 1.00 4.02 C ATOM 1506 CE1 TYR A 91 -21.525 -8.925 9.183 1.00 71.24 C ATOM 1507 CE2 TYR A 91 -20.469 -6.901 8.472 1.00 33.10 C ATOM 1508 CZ TYR A 91 -21.195 -8.039 8.184 1.00 22.52 C ATOM 1509 OH TYR A 91 -21.588 -8.299 6.893 1.00 0.53 O ATOM 0 H TYR A 91 -17.729 -6.887 11.157 1.00 52.45 H new ATOM 0 HA TYR A 91 -18.515 -7.855 13.705 1.00 45.22 H new ATOM 0 HB2 TYR A 91 -20.767 -7.541 12.895 1.00 44.14 H new ATOM 0 HB3 TYR A 91 -19.785 -6.200 12.341 1.00 44.14 H new ATOM 0 HD1 TYR A 91 -21.388 -9.376 11.255 1.00 72.11 H new ATOM 0 HD2 TYR A 91 -19.501 -5.768 9.994 1.00 4.02 H new ATOM 0 HE1 TYR A 91 -22.095 -9.813 8.953 1.00 71.24 H new ATOM 0 HE2 TYR A 91 -20.214 -6.206 7.686 1.00 33.10 H new ATOM 0 HH TYR A 91 -21.721 -7.454 6.415 1.00 0.53 H new ATOM 1519 N SER A 92 -19.561 -10.176 13.319 1.00 71.25 N ATOM 1520 CA SER A 92 -19.863 -11.587 13.178 1.00 13.40 C ATOM 1521 C SER A 92 -21.114 -11.773 12.322 1.00 21.40 C ATOM 1522 O SER A 92 -22.084 -11.027 12.447 1.00 24.33 O ATOM 1523 CB SER A 92 -20.053 -12.224 14.553 1.00 20.44 C ATOM 1524 OG SER A 92 -18.934 -11.972 15.390 1.00 23.22 O ATOM 0 H SER A 92 -19.919 -9.751 14.174 1.00 71.25 H new ATOM 0 HA SER A 92 -19.028 -12.081 12.681 1.00 13.40 H new ATOM 0 HB2 SER A 92 -20.956 -11.829 15.019 1.00 20.44 H new ATOM 0 HB3 SER A 92 -20.195 -13.299 14.443 1.00 20.44 H new ATOM 0 HG SER A 92 -19.080 -12.388 16.265 1.00 23.22 H new ATOM 1530 N CYS A 93 -21.077 -12.763 11.449 1.00 63.01 N ATOM 1531 CA CYS A 93 -22.170 -13.021 10.521 1.00 40.40 C ATOM 1532 C CYS A 93 -22.510 -14.499 10.527 1.00 51.54 C ATOM 1533 O CYS A 93 -21.820 -15.287 11.167 1.00 23.11 O ATOM 1534 CB CYS A 93 -21.760 -12.634 9.117 1.00 41.45 C ATOM 1535 SG CYS A 93 -20.644 -13.853 8.363 1.00 64.23 S ATOM 0 H CYS A 93 -20.293 -13.410 11.361 1.00 63.01 H new ATOM 0 HA CYS A 93 -23.034 -12.434 10.832 1.00 40.40 H new ATOM 0 HB2 CYS A 93 -22.650 -12.528 8.497 1.00 41.45 H new ATOM 0 HB3 CYS A 93 -21.269 -11.661 9.139 1.00 41.45 H new ATOM 0 HG CYS A 93 -20.032 -13.313 7.351 1.00 64.23 H new ATOM 1540 N ASN A 94 -23.529 -14.879 9.769 1.00 71.22 N ATOM 1541 CA ASN A 94 -23.966 -16.265 9.724 1.00 30.24 C ATOM 1542 C ASN A 94 -23.643 -16.924 8.377 1.00 31.22 C ATOM 1543 O ASN A 94 -24.541 -17.187 7.580 1.00 4.34 O ATOM 1544 CB ASN A 94 -25.474 -16.338 9.992 1.00 50.01 C ATOM 1545 CG ASN A 94 -25.986 -17.761 10.146 1.00 24.43 C ATOM 1546 OD1 ASN A 94 -25.190 -18.621 10.764 1.00 33.05 O flip ATOM 1547 ND2 ASN A 94 -27.103 -18.077 9.740 1.00 1.14 N flip ATOM 0 H ASN A 94 -24.068 -14.246 9.177 1.00 71.22 H new ATOM 0 HA ASN A 94 -23.424 -16.811 10.496 1.00 30.24 H new ATOM 0 HB2 ASN A 94 -25.703 -15.776 10.897 1.00 50.01 H new ATOM 0 HB3 ASN A 94 -26.006 -15.854 9.173 1.00 50.01 H new ATOM 0 HD21 ASN A 94 -27.688 -17.387 9.268 1.00 1.14 H new ATOM 0 HD22 ASN A 94 -27.444 -19.029 9.875 1.00 1.14 H new ATOM 1554 N CYS A 95 -22.360 -17.150 8.087 1.00 14.31 N ATOM 1555 CA CYS A 95 -22.010 -17.999 6.958 1.00 61.24 C ATOM 1556 C CYS A 95 -21.688 -19.425 7.419 1.00 75.31 C ATOM 1557 O CYS A 95 -21.419 -20.304 6.606 1.00 44.24 O ATOM 1558 CB CYS A 95 -20.846 -17.414 6.173 1.00 41.25 C ATOM 1559 SG CYS A 95 -21.308 -15.939 5.214 1.00 44.15 S ATOM 0 H CYS A 95 -21.569 -16.767 8.605 1.00 14.31 H new ATOM 0 HA CYS A 95 -22.876 -18.043 6.298 1.00 61.24 H new ATOM 0 HB2 CYS A 95 -20.043 -17.156 6.863 1.00 41.25 H new ATOM 0 HB3 CYS A 95 -20.453 -18.173 5.496 1.00 41.25 H new ATOM 0 HG CYS A 95 -20.712 -15.968 4.059 1.00 44.15 H new