USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 562 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 65 ASN : amide:sc= -1.11! X(o=-0.65!,f=-0.73) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -149:sc= 0.466 (180deg=0) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.594 K(o=-0.59,f=-5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 0.938 (180deg=0.814) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.162 X(o=0.16,f=-0.087) USER MOD Single : A 51 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.4) USER MOD Single : A 53 SER OG : rot -93:sc= 0.907 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.0164 K(o=0.016,f=-0.71) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0426 K(o=-0.043,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -20:sc= 0.145 USER MOD Single : A 74 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.7) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 1.23 (180deg=-0.227) USER MOD Single : A 77 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 80 THR OG1 : rot 79:sc= 0.699 USER MOD Single : A 82 TYR OH : rot 157:sc= 0.253 USER MOD Single : A 83 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.5) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 88 THR OG1 : rot -73:sc= -0.0906 USER MOD Single : A 89 LYS NZ :NH3+ -140:sc= -0.285 (180deg=-2.34!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0276 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -4.387 3.766 2.619 1.00 0.00 N ATOM 96 CA ARG A 27 -4.225 4.299 1.254 1.00 0.00 C ATOM 97 C ARG A 27 -3.607 5.714 1.354 1.00 0.00 C ATOM 98 O ARG A 27 -3.979 6.493 2.242 1.00 0.00 O ATOM 99 CB ARG A 27 -5.579 4.303 0.454 1.00 0.00 C ATOM 100 CG ARG A 27 -6.531 5.502 0.707 1.00 0.00 C ATOM 101 CD ARG A 27 -7.144 5.506 2.112 1.00 0.00 C ATOM 102 NE ARG A 27 -8.158 4.455 2.287 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.872 4.254 3.405 1.00 0.00 C ATOM 104 NH1 ARG A 27 -8.560 4.873 4.539 1.00 0.00 N ATOM 105 NH2 ARG A 27 -9.876 3.392 3.391 1.00 0.00 N ATOM 0 HA ARG A 27 -3.556 3.649 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.346 4.271 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.117 3.385 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.981 6.431 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.333 5.482 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.354 5.370 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.597 6.479 2.305 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.332 3.832 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.766 5.513 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.114 4.708 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.102 2.886 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.424 3.233 4.237 1.00 0.00 H new ATOM 119 N ALA A 28 -2.661 6.037 0.471 1.00 0.00 N ATOM 120 CA ALA A 28 -1.812 7.242 0.628 1.00 0.00 C ATOM 121 C ALA A 28 -1.785 8.112 -0.637 1.00 0.00 C ATOM 122 O ALA A 28 -1.414 9.288 -0.574 1.00 0.00 O ATOM 123 CB ALA A 28 -0.382 6.805 1.021 1.00 0.00 C ATOM 0 H ALA A 28 -2.455 5.488 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.243 7.859 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.248 7.686 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.415 6.255 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.030 6.165 0.241 1.00 0.00 H new ATOM 129 N TRP A 29 -2.188 7.538 -1.784 1.00 0.00 N ATOM 130 CA TRP A 29 -1.968 8.162 -3.109 1.00 0.00 C ATOM 131 C TRP A 29 -3.290 8.267 -3.867 1.00 0.00 C ATOM 132 O TRP A 29 -4.115 7.345 -3.834 1.00 0.00 O ATOM 133 CB TRP A 29 -0.949 7.334 -3.949 1.00 0.00 C ATOM 134 CG TRP A 29 0.256 6.877 -3.150 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.171 7.661 -2.495 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.653 5.519 -2.904 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.086 6.870 -1.848 1.00 0.00 N ATOM 138 CE2 TRP A 29 1.800 5.556 -2.101 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.145 4.276 -3.297 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.434 4.399 -1.667 1.00 0.00 C ATOM 141 CZ3 TRP A 29 0.784 3.134 -2.875 1.00 0.00 C ATOM 142 CH2 TRP A 29 1.915 3.203 -2.066 1.00 0.00 C ATOM 0 H TRP A 29 -2.670 6.640 -1.824 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.561 9.161 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.454 6.461 -4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.610 7.936 -4.792 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.171 8.741 -2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.856 7.207 -1.271 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.734 4.215 -3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.308 4.445 -1.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.403 2.169 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.392 2.288 -1.747 1.00 0.00 H new ATOM 153 N THR A 30 -3.498 9.409 -4.526 1.00 0.00 N ATOM 154 CA THR A 30 -4.619 9.604 -5.447 1.00 0.00 C ATOM 155 C THR A 30 -4.234 8.987 -6.815 1.00 0.00 C ATOM 156 O THR A 30 -3.045 8.747 -7.068 1.00 0.00 O ATOM 157 CB THR A 30 -4.962 11.130 -5.563 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.997 11.708 -4.246 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.315 11.396 -6.254 1.00 0.00 C ATOM 0 H THR A 30 -2.893 10.225 -4.436 1.00 0.00 H new ATOM 0 HA THR A 30 -5.516 9.106 -5.078 1.00 0.00 H new ATOM 0 HB THR A 30 -4.185 11.584 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.209 12.662 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.494 12.470 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.295 10.985 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.114 10.921 -5.685 1.00 0.00 H new ATOM 167 N VAL A 31 -5.232 8.722 -7.683 1.00 0.00 N ATOM 168 CA VAL A 31 -5.006 8.080 -9.007 1.00 0.00 C ATOM 169 C VAL A 31 -4.005 8.912 -9.859 1.00 0.00 C ATOM 170 O VAL A 31 -3.200 8.355 -10.615 1.00 0.00 O ATOM 171 CB VAL A 31 -6.371 7.858 -9.776 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.180 7.165 -11.152 1.00 0.00 C ATOM 173 CG2 VAL A 31 -7.373 7.072 -8.891 1.00 0.00 C ATOM 0 H VAL A 31 -6.210 8.942 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.565 7.098 -8.835 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.783 8.846 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.150 7.039 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.539 7.780 -11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.717 6.189 -11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.306 6.929 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.949 6.101 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.569 7.633 -7.977 1.00 0.00 H new ATOM 183 N GLU A 32 -4.061 10.252 -9.673 1.00 0.00 N ATOM 184 CA GLU A 32 -3.150 11.226 -10.311 1.00 0.00 C ATOM 185 C GLU A 32 -1.705 11.096 -9.778 1.00 0.00 C ATOM 186 O GLU A 32 -0.748 11.229 -10.554 1.00 0.00 O ATOM 187 CB GLU A 32 -3.685 12.672 -10.101 1.00 0.00 C ATOM 188 CG GLU A 32 -3.848 13.079 -8.623 1.00 0.00 C ATOM 189 CD GLU A 32 -4.429 14.488 -8.432 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.667 14.646 -8.533 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.657 15.442 -8.193 1.00 0.00 O ATOM 0 H GLU A 32 -4.752 10.691 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.121 11.008 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.005 13.373 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.649 12.766 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.496 12.358 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.877 13.026 -8.131 1.00 0.00 H new ATOM 198 N GLN A 33 -1.549 10.842 -8.457 1.00 0.00 N ATOM 199 CA GLN A 33 -0.222 10.622 -7.840 1.00 0.00 C ATOM 200 C GLN A 33 0.415 9.336 -8.382 1.00 0.00 C ATOM 201 O GLN A 33 1.630 9.295 -8.616 1.00 0.00 O ATOM 202 CB GLN A 33 -0.295 10.549 -6.291 1.00 0.00 C ATOM 203 CG GLN A 33 -0.780 11.839 -5.610 1.00 0.00 C ATOM 204 CD GLN A 33 -0.565 11.835 -4.094 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.421 11.402 -3.337 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.591 12.314 -3.651 1.00 0.00 N ATOM 0 H GLN A 33 -2.327 10.785 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 33 0.394 11.481 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.961 9.733 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.694 10.300 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.256 12.691 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.841 11.977 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.283 12.668 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.787 12.328 -2.650 1.00 0.00 H new ATOM 215 N LEU A 34 -0.428 8.307 -8.596 1.00 0.00 N ATOM 216 CA LEU A 34 0.029 6.999 -9.082 1.00 0.00 C ATOM 217 C LEU A 34 0.591 7.128 -10.504 1.00 0.00 C ATOM 218 O LEU A 34 1.773 6.895 -10.732 1.00 0.00 O ATOM 219 CB LEU A 34 -1.147 5.994 -9.100 1.00 0.00 C ATOM 220 CG LEU A 34 -1.788 5.637 -7.732 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.118 4.886 -7.941 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.812 4.828 -6.849 1.00 0.00 C ATOM 0 H LEU A 34 -1.434 8.362 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 34 0.809 6.639 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.928 6.397 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.797 5.071 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.004 6.565 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.555 4.643 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.808 5.517 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.933 3.967 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.291 4.594 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.543 3.902 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.087 5.417 -6.667 1.00 0.00 H new ATOM 234 N ARG A 35 -0.259 7.659 -11.418 1.00 0.00 N ATOM 235 CA ARG A 35 0.047 7.736 -12.865 1.00 0.00 C ATOM 236 C ARG A 35 1.242 8.673 -13.133 1.00 0.00 C ATOM 237 O ARG A 35 1.932 8.541 -14.152 1.00 0.00 O ATOM 238 CB ARG A 35 -1.202 8.199 -13.661 1.00 0.00 C ATOM 239 CG ARG A 35 -1.645 9.648 -13.373 1.00 0.00 C ATOM 240 CD ARG A 35 -2.851 10.086 -14.206 1.00 0.00 C ATOM 241 NE ARG A 35 -3.164 11.515 -14.012 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.218 12.145 -14.545 1.00 0.00 C ATOM 243 NH1 ARG A 35 -5.128 11.474 -15.242 1.00 0.00 N ATOM 244 NH2 ARG A 35 -4.365 13.451 -14.360 1.00 0.00 N ATOM 0 H ARG A 35 -1.171 8.044 -11.172 1.00 0.00 H new ATOM 0 HA ARG A 35 0.323 6.738 -13.204 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.994 8.101 -14.727 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.030 7.528 -13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.889 9.743 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.811 10.322 -13.570 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.651 9.898 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.718 9.484 -13.934 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.531 12.063 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.028 10.468 -15.376 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.927 11.965 -15.643 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.677 13.969 -13.814 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.166 13.936 -14.764 1.00 0.00 H new ATOM 258 N SER A 36 1.466 9.616 -12.196 1.00 0.00 N ATOM 259 CA SER A 36 2.630 10.498 -12.210 1.00 0.00 C ATOM 260 C SER A 36 3.891 9.648 -11.999 1.00 0.00 C ATOM 261 O SER A 36 4.044 9.003 -10.951 1.00 0.00 O ATOM 262 CB SER A 36 2.506 11.590 -11.126 1.00 0.00 C ATOM 263 OG SER A 36 3.594 12.500 -11.183 1.00 0.00 O ATOM 0 H SER A 36 0.838 9.781 -11.410 1.00 0.00 H new ATOM 0 HA SER A 36 2.693 11.008 -13.171 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.569 12.131 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.469 11.125 -10.141 1.00 0.00 H new ATOM 0 HG SER A 36 3.488 13.181 -10.486 1.00 0.00 H new ATOM 269 N GLU A 37 4.766 9.624 -13.022 1.00 0.00 N ATOM 270 CA GLU A 37 5.971 8.771 -13.035 1.00 0.00 C ATOM 271 C GLU A 37 7.054 9.330 -12.073 1.00 0.00 C ATOM 272 O GLU A 37 8.099 8.704 -11.871 1.00 0.00 O ATOM 273 CB GLU A 37 6.520 8.621 -14.494 1.00 0.00 C ATOM 274 CG GLU A 37 7.303 7.317 -14.768 1.00 0.00 C ATOM 275 CD GLU A 37 6.444 6.054 -14.552 1.00 0.00 C ATOM 276 OE1 GLU A 37 5.614 5.726 -15.431 1.00 0.00 O ATOM 277 OE2 GLU A 37 6.583 5.394 -13.495 1.00 0.00 O ATOM 0 H GLU A 37 4.659 10.194 -13.861 1.00 0.00 H new ATOM 0 HA GLU A 37 5.698 7.778 -12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.682 8.676 -15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.170 9.469 -14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.674 7.329 -15.793 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.174 7.276 -14.114 1.00 0.00 H new ATOM 284 N GLN A 38 6.794 10.540 -11.516 1.00 0.00 N ATOM 285 CA GLN A 38 7.557 11.124 -10.392 1.00 0.00 C ATOM 286 C GLN A 38 7.569 10.147 -9.196 1.00 0.00 C ATOM 287 O GLN A 38 8.584 9.994 -8.511 1.00 0.00 O ATOM 288 CB GLN A 38 6.928 12.477 -9.962 1.00 0.00 C ATOM 289 CG GLN A 38 6.788 13.518 -11.094 1.00 0.00 C ATOM 290 CD GLN A 38 6.167 14.848 -10.640 1.00 0.00 C ATOM 291 OE1 GLN A 38 6.348 15.276 -9.499 1.00 0.00 O ATOM 292 NE2 GLN A 38 5.407 15.500 -11.513 1.00 0.00 N ATOM 0 H GLN A 38 6.038 11.142 -11.842 1.00 0.00 H new ATOM 0 HA GLN A 38 8.582 11.299 -10.719 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.941 12.285 -9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.536 12.907 -9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.773 13.714 -11.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.176 13.095 -11.890 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.272 15.125 -12.452 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.958 16.376 -11.244 1.00 0.00 H new ATOM 301 N LEU A 39 6.414 9.496 -8.980 1.00 0.00 N ATOM 302 CA LEU A 39 6.246 8.434 -7.982 1.00 0.00 C ATOM 303 C LEU A 39 6.839 7.122 -8.574 1.00 0.00 C ATOM 304 O LEU A 39 6.447 6.736 -9.683 1.00 0.00 O ATOM 305 CB LEU A 39 4.716 8.291 -7.626 1.00 0.00 C ATOM 306 CG LEU A 39 4.339 7.702 -6.215 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.832 7.868 -5.906 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.745 6.232 -6.064 1.00 0.00 C ATOM 0 H LEU A 39 5.561 9.697 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 39 6.772 8.666 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.260 9.277 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.253 7.661 -8.386 1.00 0.00 H new ATOM 0 HG LEU A 39 4.909 8.282 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.614 7.449 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.573 8.927 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.246 7.345 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.462 5.876 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.239 5.635 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.824 6.138 -6.189 1.00 0.00 H new ATOM 320 N PRO A 40 7.810 6.438 -7.873 1.00 0.00 N ATOM 321 CA PRO A 40 8.305 5.084 -8.260 1.00 0.00 C ATOM 322 C PRO A 40 7.205 3.998 -8.291 1.00 0.00 C ATOM 323 O PRO A 40 6.023 4.264 -8.077 1.00 0.00 O ATOM 324 CB PRO A 40 9.389 4.766 -7.189 1.00 0.00 C ATOM 325 CG PRO A 40 9.799 6.108 -6.668 1.00 0.00 C ATOM 326 CD PRO A 40 8.544 6.948 -6.691 1.00 0.00 C ATOM 0 HA PRO A 40 8.687 5.084 -9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.990 4.136 -6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.234 4.233 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.202 6.031 -5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.578 6.549 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.964 6.829 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.773 8.009 -6.787 1.00 0.00 H new ATOM 334 N LYS A 41 7.611 2.766 -8.603 1.00 0.00 N ATOM 335 CA LYS A 41 6.702 1.608 -8.651 1.00 0.00 C ATOM 336 C LYS A 41 6.924 0.690 -7.441 1.00 0.00 C ATOM 337 O LYS A 41 6.031 -0.078 -7.077 1.00 0.00 O ATOM 338 CB LYS A 41 6.914 0.835 -9.980 1.00 0.00 C ATOM 339 CG LYS A 41 6.531 1.658 -11.231 1.00 0.00 C ATOM 340 CD LYS A 41 6.417 0.802 -12.505 1.00 0.00 C ATOM 341 CE LYS A 41 7.724 0.089 -12.875 1.00 0.00 C ATOM 342 NZ LYS A 41 7.597 -0.753 -14.094 1.00 0.00 N ATOM 0 H LYS A 41 8.579 2.538 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 41 5.672 1.963 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.959 0.536 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.321 -0.080 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.580 2.160 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.277 2.436 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.632 0.058 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.110 1.438 -13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.506 0.832 -13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.041 -0.535 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.409 -1.399 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.718 -1.306 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.575 -0.143 -14.936 1.00 0.00 H new ATOM 356 N LYS A 42 8.104 0.815 -6.808 1.00 0.00 N ATOM 357 CA LYS A 42 8.535 -0.057 -5.700 1.00 0.00 C ATOM 358 C LYS A 42 7.602 0.053 -4.480 1.00 0.00 C ATOM 359 O LYS A 42 7.156 -0.958 -3.939 1.00 0.00 O ATOM 360 CB LYS A 42 10.010 0.263 -5.311 1.00 0.00 C ATOM 361 CG LYS A 42 10.274 1.737 -4.915 1.00 0.00 C ATOM 362 CD LYS A 42 11.731 2.002 -4.463 1.00 0.00 C ATOM 363 CE LYS A 42 12.768 1.760 -5.575 1.00 0.00 C ATOM 364 NZ LYS A 42 14.160 1.982 -5.102 1.00 0.00 N ATOM 0 H LYS A 42 8.790 1.529 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 42 8.478 -1.089 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.299 -0.379 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.656 0.006 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.042 2.380 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.595 2.016 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.815 3.032 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.963 1.360 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.670 0.739 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.561 2.424 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.824 1.808 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.262 2.963 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.369 1.330 -4.319 1.00 0.00 H new ATOM 378 N ASP A 43 7.285 1.292 -4.093 1.00 0.00 N ATOM 379 CA ASP A 43 6.507 1.573 -2.876 1.00 0.00 C ATOM 380 C ASP A 43 5.022 1.224 -3.052 1.00 0.00 C ATOM 381 O ASP A 43 4.340 0.912 -2.065 1.00 0.00 O ATOM 382 CB ASP A 43 6.668 3.046 -2.452 1.00 0.00 C ATOM 383 CG ASP A 43 6.195 4.047 -3.508 1.00 0.00 C ATOM 384 OD1 ASP A 43 6.868 4.174 -4.561 1.00 0.00 O ATOM 385 OD2 ASP A 43 5.179 4.728 -3.275 1.00 0.00 O ATOM 0 H ASP A 43 7.558 2.128 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 43 6.903 0.936 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.109 3.212 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.717 3.237 -2.228 1.00 0.00 H new ATOM 390 N ILE A 44 4.525 1.293 -4.305 1.00 0.00 N ATOM 391 CA ILE A 44 3.140 0.901 -4.640 1.00 0.00 C ATOM 392 C ILE A 44 2.979 -0.625 -4.486 1.00 0.00 C ATOM 393 O ILE A 44 2.125 -1.085 -3.724 1.00 0.00 O ATOM 394 CB ILE A 44 2.711 1.349 -6.097 1.00 0.00 C ATOM 395 CG1 ILE A 44 3.049 2.855 -6.336 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.197 1.088 -6.345 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.718 3.379 -7.732 1.00 0.00 C ATOM 0 H ILE A 44 5.067 1.619 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 44 2.481 1.419 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 44 3.279 0.748 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.509 3.454 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.112 3.007 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.933 1.406 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.988 0.024 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.607 1.651 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.989 4.433 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.278 2.812 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.650 3.266 -7.919 1.00 0.00 H new ATOM 409 N ILE A 45 3.831 -1.394 -5.199 1.00 0.00 N ATOM 410 CA ILE A 45 3.877 -2.880 -5.102 1.00 0.00 C ATOM 411 C ILE A 45 4.079 -3.326 -3.631 1.00 0.00 C ATOM 412 O ILE A 45 3.465 -4.297 -3.178 1.00 0.00 O ATOM 413 CB ILE A 45 5.042 -3.467 -5.996 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.858 -3.047 -7.485 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.159 -5.013 -5.873 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.020 -3.393 -8.404 1.00 0.00 C ATOM 0 H ILE A 45 4.507 -1.008 -5.858 1.00 0.00 H new ATOM 0 HA ILE A 45 2.924 -3.266 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 45 5.975 -3.044 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.956 -3.522 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.693 -1.970 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.973 -5.368 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.362 -5.281 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.224 -5.475 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.794 -3.060 -9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.924 -2.896 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.176 -4.472 -8.403 1.00 0.00 H new ATOM 428 N LYS A 46 4.918 -2.567 -2.904 1.00 0.00 N ATOM 429 CA LYS A 46 5.240 -2.816 -1.481 1.00 0.00 C ATOM 430 C LYS A 46 3.992 -2.695 -0.584 1.00 0.00 C ATOM 431 O LYS A 46 3.747 -3.545 0.269 1.00 0.00 O ATOM 432 CB LYS A 46 6.335 -1.822 -1.017 1.00 0.00 C ATOM 433 CG LYS A 46 6.823 -1.997 0.439 1.00 0.00 C ATOM 434 CD LYS A 46 8.025 -1.084 0.787 1.00 0.00 C ATOM 435 CE LYS A 46 7.717 0.419 0.622 1.00 0.00 C ATOM 436 NZ LYS A 46 8.892 1.269 0.931 1.00 0.00 N ATOM 0 H LYS A 46 5.399 -1.754 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 46 5.609 -3.838 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.193 -1.918 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.953 -0.808 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.000 -1.781 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.105 -3.037 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.331 -1.274 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.869 -1.347 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.391 0.611 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.890 0.693 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.639 2.270 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.189 1.107 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.674 1.027 0.289 1.00 0.00 H new ATOM 450 N PHE A 47 3.215 -1.635 -0.813 1.00 0.00 N ATOM 451 CA PHE A 47 1.981 -1.372 -0.047 1.00 0.00 C ATOM 452 C PHE A 47 0.905 -2.444 -0.331 1.00 0.00 C ATOM 453 O PHE A 47 0.252 -2.960 0.588 1.00 0.00 O ATOM 454 CB PHE A 47 1.438 0.038 -0.395 1.00 0.00 C ATOM 455 CG PHE A 47 0.061 0.351 0.201 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.170 0.194 1.565 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.999 0.772 -0.600 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.414 0.447 2.109 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.240 1.021 -0.051 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.449 0.861 1.302 1.00 0.00 C ATOM 0 H PHE A 47 3.415 -0.935 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 47 2.222 -1.415 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.150 0.785 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.382 0.135 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.635 -0.130 2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.847 0.905 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.575 0.320 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.053 1.343 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.422 1.060 1.727 1.00 0.00 H new ATOM 470 N LEU A 48 0.746 -2.772 -1.612 1.00 0.00 N ATOM 471 CA LEU A 48 -0.292 -3.697 -2.083 1.00 0.00 C ATOM 472 C LEU A 48 0.020 -5.144 -1.663 1.00 0.00 C ATOM 473 O LEU A 48 -0.902 -5.925 -1.421 1.00 0.00 O ATOM 474 CB LEU A 48 -0.453 -3.557 -3.610 1.00 0.00 C ATOM 475 CG LEU A 48 -0.819 -2.123 -4.105 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.868 -2.055 -5.644 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.130 -1.622 -3.466 1.00 0.00 C ATOM 0 H LEU A 48 1.335 -2.403 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.242 -3.438 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.477 -3.864 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.226 -4.249 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.026 -1.450 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.126 -1.043 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.107 -2.323 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.620 -2.751 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.354 -0.621 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.945 -2.296 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.019 -1.595 -2.382 1.00 0.00 H new ATOM 489 N GLN A 49 1.324 -5.478 -1.545 1.00 0.00 N ATOM 490 CA GLN A 49 1.757 -6.806 -1.058 1.00 0.00 C ATOM 491 C GLN A 49 1.717 -6.863 0.480 1.00 0.00 C ATOM 492 O GLN A 49 1.565 -7.940 1.057 1.00 0.00 O ATOM 493 CB GLN A 49 3.160 -7.213 -1.600 1.00 0.00 C ATOM 494 CG GLN A 49 4.349 -6.494 -0.938 1.00 0.00 C ATOM 495 CD GLN A 49 5.727 -6.971 -1.405 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.668 -7.000 -0.621 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.876 -7.298 -2.683 1.00 0.00 N ATOM 0 H GLN A 49 2.092 -4.849 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 49 1.049 -7.536 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.286 -8.288 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.189 -7.018 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.264 -5.425 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.281 -6.627 0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.076 -7.265 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.791 -7.582 -3.033 1.00 0.00 H new ATOM 506 N GLU A 50 1.868 -5.688 1.124 1.00 0.00 N ATOM 507 CA GLU A 50 1.839 -5.552 2.594 1.00 0.00 C ATOM 508 C GLU A 50 0.471 -5.975 3.159 1.00 0.00 C ATOM 509 O GLU A 50 0.390 -6.698 4.157 1.00 0.00 O ATOM 510 CB GLU A 50 2.131 -4.074 3.000 1.00 0.00 C ATOM 511 CG GLU A 50 2.230 -3.812 4.517 1.00 0.00 C ATOM 512 CD GLU A 50 3.420 -4.529 5.179 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.560 -4.019 5.077 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.230 -5.609 5.788 1.00 0.00 O ATOM 0 H GLU A 50 2.014 -4.804 0.637 1.00 0.00 H new ATOM 0 HA GLU A 50 2.607 -6.205 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.066 -3.765 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.345 -3.440 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.319 -2.739 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.306 -4.136 4.996 1.00 0.00 H new ATOM 521 N HIS A 51 -0.601 -5.537 2.487 1.00 0.00 N ATOM 522 CA HIS A 51 -1.972 -5.697 3.009 1.00 0.00 C ATOM 523 C HIS A 51 -2.757 -6.768 2.228 1.00 0.00 C ATOM 524 O HIS A 51 -3.551 -7.501 2.824 1.00 0.00 O ATOM 525 CB HIS A 51 -2.712 -4.329 2.983 1.00 0.00 C ATOM 526 CG HIS A 51 -3.856 -4.216 3.967 1.00 0.00 C ATOM 527 ND1 HIS A 51 -4.274 -5.246 4.789 1.00 0.00 N ATOM 528 CD2 HIS A 51 -4.650 -3.168 4.265 1.00 0.00 C ATOM 529 CE1 HIS A 51 -5.266 -4.829 5.550 1.00 0.00 C ATOM 530 NE2 HIS A 51 -5.516 -3.571 5.250 1.00 0.00 N ATOM 0 H HIS A 51 -0.550 -5.069 1.582 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.906 -6.041 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.992 -3.537 3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.096 -4.157 1.977 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -3.876 -6.185 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.611 -2.189 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.785 -5.418 6.292 1.00 0.00 H new ATOM 539 N GLY A 52 -2.521 -6.848 0.898 1.00 0.00 N ATOM 540 CA GLY A 52 -3.225 -7.785 0.005 1.00 0.00 C ATOM 541 C GLY A 52 -3.005 -9.261 0.337 1.00 0.00 C ATOM 542 O GLY A 52 -1.910 -9.652 0.748 1.00 0.00 O ATOM 0 H GLY A 52 -1.837 -6.263 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.293 -7.572 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.901 -7.604 -1.020 1.00 0.00 H new ATOM 546 N SER A 53 -4.071 -10.068 0.154 1.00 0.00 N ATOM 547 CA SER A 53 -4.065 -11.526 0.438 1.00 0.00 C ATOM 548 C SER A 53 -3.373 -12.314 -0.697 1.00 0.00 C ATOM 549 O SER A 53 -3.050 -11.742 -1.734 1.00 0.00 O ATOM 550 CB SER A 53 -5.522 -12.017 0.575 1.00 0.00 C ATOM 551 OG SER A 53 -6.228 -11.842 -0.650 1.00 0.00 O ATOM 0 H SER A 53 -4.967 -9.729 -0.197 1.00 0.00 H new ATOM 0 HA SER A 53 -3.513 -11.696 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.532 -13.069 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.023 -11.467 1.372 1.00 0.00 H new ATOM 0 HG SER A 53 -6.690 -10.978 -0.641 1.00 0.00 H new ATOM 557 N ASP A 54 -3.206 -13.644 -0.502 1.00 0.00 N ATOM 558 CA ASP A 54 -2.562 -14.547 -1.498 1.00 0.00 C ATOM 559 C ASP A 54 -3.294 -14.486 -2.850 1.00 0.00 C ATOM 560 O ASP A 54 -2.666 -14.392 -3.910 1.00 0.00 O ATOM 561 CB ASP A 54 -2.563 -16.018 -1.008 1.00 0.00 C ATOM 562 CG ASP A 54 -1.909 -16.214 0.364 1.00 0.00 C ATOM 563 OD1 ASP A 54 -2.610 -16.067 1.388 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.700 -16.510 0.431 1.00 0.00 O ATOM 0 H ASP A 54 -3.511 -14.124 0.345 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.534 -14.204 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.592 -16.376 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.042 -16.635 -1.740 1.00 0.00 H new ATOM 569 N SER A 55 -4.635 -14.523 -2.775 1.00 0.00 N ATOM 570 CA SER A 55 -5.526 -14.495 -3.951 1.00 0.00 C ATOM 571 C SER A 55 -5.390 -13.168 -4.737 1.00 0.00 C ATOM 572 O SER A 55 -5.524 -13.151 -5.966 1.00 0.00 O ATOM 573 CB SER A 55 -6.989 -14.708 -3.502 1.00 0.00 C ATOM 574 OG SER A 55 -7.878 -14.724 -4.608 1.00 0.00 O ATOM 0 H SER A 55 -5.137 -14.574 -1.889 1.00 0.00 H new ATOM 0 HA SER A 55 -5.231 -15.303 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.069 -15.648 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.278 -13.914 -2.814 1.00 0.00 H new ATOM 0 HG SER A 55 -8.794 -14.862 -4.289 1.00 0.00 H new ATOM 580 N PHE A 56 -5.114 -12.061 -4.017 1.00 0.00 N ATOM 581 CA PHE A 56 -4.867 -10.747 -4.644 1.00 0.00 C ATOM 582 C PHE A 56 -3.471 -10.715 -5.302 1.00 0.00 C ATOM 583 O PHE A 56 -3.330 -10.343 -6.472 1.00 0.00 O ATOM 584 CB PHE A 56 -5.012 -9.601 -3.598 1.00 0.00 C ATOM 585 CG PHE A 56 -4.700 -8.202 -4.144 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.467 -7.649 -5.166 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.626 -7.451 -3.654 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.172 -6.395 -5.677 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.337 -6.199 -4.163 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.107 -5.675 -5.180 1.00 0.00 C ATOM 0 H PHE A 56 -5.057 -12.052 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.615 -10.592 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.030 -9.607 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.349 -9.806 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.303 -8.204 -5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.012 -7.857 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.779 -5.980 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.509 -5.632 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.876 -4.702 -5.587 1.00 0.00 H new ATOM 600 N LEU A 57 -2.462 -11.149 -4.533 1.00 0.00 N ATOM 601 CA LEU A 57 -1.037 -10.986 -4.889 1.00 0.00 C ATOM 602 C LEU A 57 -0.626 -11.870 -6.066 1.00 0.00 C ATOM 603 O LEU A 57 0.202 -11.463 -6.869 1.00 0.00 O ATOM 604 CB LEU A 57 -0.121 -11.263 -3.667 1.00 0.00 C ATOM 605 CG LEU A 57 -0.307 -10.312 -2.449 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.804 -10.520 -1.395 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.419 -8.844 -2.906 1.00 0.00 C ATOM 0 H LEU A 57 -2.607 -11.625 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.911 -9.948 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.292 -12.287 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.917 -11.204 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.248 -10.566 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.644 -9.840 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.778 -11.549 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.776 -10.318 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.548 -8.201 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.489 -8.558 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.277 -8.734 -3.569 1.00 0.00 H new ATOM 619 N ALA A 58 -1.177 -13.084 -6.142 1.00 0.00 N ATOM 620 CA ALA A 58 -0.865 -14.039 -7.220 1.00 0.00 C ATOM 621 C ALA A 58 -1.470 -13.581 -8.558 1.00 0.00 C ATOM 622 O ALA A 58 -0.774 -13.514 -9.583 1.00 0.00 O ATOM 623 CB ALA A 58 -1.371 -15.441 -6.840 1.00 0.00 C ATOM 0 H ALA A 58 -1.851 -13.436 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 58 0.217 -14.079 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.137 -16.142 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.885 -15.766 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.450 -15.410 -6.689 1.00 0.00 H new ATOM 629 N GLU A 59 -2.768 -13.242 -8.532 1.00 0.00 N ATOM 630 CA GLU A 59 -3.507 -12.798 -9.733 1.00 0.00 C ATOM 631 C GLU A 59 -3.052 -11.409 -10.235 1.00 0.00 C ATOM 632 O GLU A 59 -3.270 -11.068 -11.399 1.00 0.00 O ATOM 633 CB GLU A 59 -5.029 -12.804 -9.448 1.00 0.00 C ATOM 634 CG GLU A 59 -5.592 -14.190 -9.059 1.00 0.00 C ATOM 635 CD GLU A 59 -5.319 -15.277 -10.116 1.00 0.00 C ATOM 636 OE1 GLU A 59 -5.955 -15.241 -11.193 1.00 0.00 O ATOM 637 OE2 GLU A 59 -4.445 -16.153 -9.901 1.00 0.00 O ATOM 0 H GLU A 59 -3.336 -13.266 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.283 -13.505 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.240 -12.099 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.555 -12.445 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.155 -14.499 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.668 -14.107 -8.903 1.00 0.00 H new ATOM 644 N HIS A 60 -2.416 -10.613 -9.357 1.00 0.00 N ATOM 645 CA HIS A 60 -1.864 -9.285 -9.720 1.00 0.00 C ATOM 646 C HIS A 60 -0.319 -9.305 -9.754 1.00 0.00 C ATOM 647 O HIS A 60 0.301 -8.290 -10.068 1.00 0.00 O ATOM 648 CB HIS A 60 -2.387 -8.204 -8.735 1.00 0.00 C ATOM 649 CG HIS A 60 -3.856 -7.903 -8.863 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.846 -8.772 -8.463 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.493 -6.817 -9.356 1.00 0.00 C ATOM 652 CE1 HIS A 60 -6.026 -8.235 -8.708 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.840 -7.049 -9.248 1.00 0.00 N ATOM 0 H HIS A 60 -2.268 -10.866 -8.380 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.205 -9.036 -10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.183 -8.530 -7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.825 -7.284 -8.893 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.691 -9.688 -8.043 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.027 -5.931 -9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.983 -8.691 -8.501 1.00 0.00 H new ATOM 662 N LYS A 61 0.278 -10.466 -9.394 1.00 0.00 N ATOM 663 CA LYS A 61 1.749 -10.719 -9.475 1.00 0.00 C ATOM 664 C LYS A 61 2.575 -9.725 -8.622 1.00 0.00 C ATOM 665 O LYS A 61 3.748 -9.494 -8.899 1.00 0.00 O ATOM 666 CB LYS A 61 2.206 -10.742 -10.968 1.00 0.00 C ATOM 667 CG LYS A 61 1.548 -11.872 -11.793 1.00 0.00 C ATOM 668 CD LYS A 61 1.883 -11.802 -13.300 1.00 0.00 C ATOM 669 CE LYS A 61 1.377 -10.510 -13.963 1.00 0.00 C ATOM 670 NZ LYS A 61 1.606 -10.490 -15.435 1.00 0.00 N ATOM 0 H LYS A 61 -0.246 -11.264 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 61 1.944 -11.700 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.970 -9.782 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.289 -10.857 -11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.872 -12.836 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.467 -11.823 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.963 -11.874 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.443 -12.661 -13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.311 -10.398 -13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.878 -9.654 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.246 -9.598 -15.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.625 -10.569 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.107 -11.289 -15.875 1.00 0.00 H new ATOM 684 N LEU A 62 1.962 -9.213 -7.533 1.00 0.00 N ATOM 685 CA LEU A 62 2.554 -8.156 -6.672 1.00 0.00 C ATOM 686 C LEU A 62 3.411 -8.737 -5.540 1.00 0.00 C ATOM 687 O LEU A 62 4.067 -7.982 -4.818 1.00 0.00 O ATOM 688 CB LEU A 62 1.430 -7.268 -6.086 1.00 0.00 C ATOM 689 CG LEU A 62 0.580 -6.504 -7.138 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.618 -5.818 -6.479 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.440 -5.497 -7.942 1.00 0.00 C ATOM 0 H LEU A 62 1.040 -9.519 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 62 3.213 -7.555 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.766 -7.895 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.878 -6.543 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 62 0.195 -7.236 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.197 -5.290 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.247 -6.567 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.265 -5.107 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.812 -4.981 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.880 -4.769 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.234 -6.032 -8.464 1.00 0.00 H new ATOM 703 N LEU A 63 3.388 -10.072 -5.381 1.00 0.00 N ATOM 704 CA LEU A 63 4.209 -10.778 -4.374 1.00 0.00 C ATOM 705 C LEU A 63 5.668 -10.916 -4.851 1.00 0.00 C ATOM 706 O LEU A 63 6.008 -10.534 -5.976 1.00 0.00 O ATOM 707 CB LEU A 63 3.555 -12.155 -4.017 1.00 0.00 C ATOM 708 CG LEU A 63 3.090 -13.081 -5.199 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.260 -13.688 -6.000 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.137 -14.183 -4.687 1.00 0.00 C ATOM 0 H LEU A 63 2.804 -10.692 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 63 4.241 -10.188 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.268 -12.717 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.688 -11.959 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 63 2.550 -12.441 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.867 -14.316 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.861 -12.887 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.880 -14.291 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.827 -14.813 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.651 -14.792 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.259 -13.723 -4.234 1.00 0.00 H new ATOM 722 N GLY A 64 6.512 -11.482 -3.980 1.00 0.00 N ATOM 723 CA GLY A 64 7.915 -11.748 -4.304 1.00 0.00 C ATOM 724 C GLY A 64 8.803 -10.510 -4.225 1.00 0.00 C ATOM 725 O GLY A 64 8.429 -9.516 -3.593 1.00 0.00 O ATOM 0 H GLY A 64 6.243 -11.766 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.300 -12.506 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.975 -12.165 -5.309 1.00 0.00 H new ATOM 729 N ASN A 65 9.998 -10.586 -4.857 1.00 0.00 N ATOM 730 CA ASN A 65 10.983 -9.485 -4.875 1.00 0.00 C ATOM 731 C ASN A 65 10.389 -8.290 -5.629 1.00 0.00 C ATOM 732 O ASN A 65 10.176 -8.381 -6.844 1.00 0.00 O ATOM 733 CB ASN A 65 12.318 -9.927 -5.552 1.00 0.00 C ATOM 734 CG ASN A 65 13.144 -10.966 -4.779 1.00 0.00 C ATOM 735 OD1 ASN A 65 14.378 -10.939 -4.821 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.498 -11.881 -4.060 1.00 0.00 N ATOM 0 H ASN A 65 10.304 -11.414 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 65 11.207 -9.205 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.088 -10.333 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.935 -9.042 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.023 -12.577 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.478 -11.886 -4.039 1.00 0.00 H new ATOM 743 N ILE A 66 10.142 -7.190 -4.902 1.00 0.00 N ATOM 744 CA ILE A 66 9.451 -5.995 -5.430 1.00 0.00 C ATOM 745 C ILE A 66 10.135 -5.454 -6.703 1.00 0.00 C ATOM 746 O ILE A 66 9.452 -5.180 -7.684 1.00 0.00 O ATOM 747 CB ILE A 66 9.384 -4.866 -4.341 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.629 -5.368 -3.073 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.735 -3.576 -4.893 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.698 -4.433 -1.880 1.00 0.00 C ATOM 0 H ILE A 66 10.417 -7.100 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 66 8.438 -6.300 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 66 10.408 -4.620 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.582 -5.529 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.038 -6.336 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.707 -2.819 -4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.320 -3.206 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.720 -3.793 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.145 -4.865 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.739 -4.290 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.260 -3.471 -2.146 1.00 0.00 H new ATOM 762 N LYS A 67 11.482 -5.311 -6.673 1.00 0.00 N ATOM 763 CA LYS A 67 12.250 -4.751 -7.811 1.00 0.00 C ATOM 764 C LYS A 67 12.187 -5.669 -9.064 1.00 0.00 C ATOM 765 O LYS A 67 12.245 -5.180 -10.202 1.00 0.00 O ATOM 766 CB LYS A 67 13.737 -4.419 -7.437 1.00 0.00 C ATOM 767 CG LYS A 67 14.736 -5.606 -7.300 1.00 0.00 C ATOM 768 CD LYS A 67 14.562 -6.468 -6.021 1.00 0.00 C ATOM 769 CE LYS A 67 15.794 -7.355 -5.745 1.00 0.00 C ATOM 770 NZ LYS A 67 15.646 -8.178 -4.521 1.00 0.00 N ATOM 0 H LYS A 67 12.058 -5.575 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 67 11.764 -3.807 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.128 -3.738 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.731 -3.876 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.631 -6.252 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.751 -5.210 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.387 -5.815 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.679 -7.098 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.963 -8.010 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.677 -6.723 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.580 -8.328 -4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.026 -7.687 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.228 -9.097 -4.769 1.00 0.00 H new ATOM 784 N ASN A 68 12.061 -6.991 -8.842 1.00 0.00 N ATOM 785 CA ASN A 68 11.947 -7.993 -9.929 1.00 0.00 C ATOM 786 C ASN A 68 10.549 -7.920 -10.579 1.00 0.00 C ATOM 787 O ASN A 68 10.393 -8.132 -11.783 1.00 0.00 O ATOM 788 CB ASN A 68 12.227 -9.417 -9.376 1.00 0.00 C ATOM 789 CG ASN A 68 12.282 -10.519 -10.455 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.681 -10.274 -11.595 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.912 -11.744 -10.097 1.00 0.00 N ATOM 0 H ASN A 68 12.035 -7.398 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 68 12.690 -7.771 -10.695 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.175 -9.405 -8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.452 -9.672 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.955 -12.507 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.585 -11.921 -9.147 1.00 0.00 H new ATOM 798 N VAL A 69 9.540 -7.620 -9.748 1.00 0.00 N ATOM 799 CA VAL A 69 8.168 -7.344 -10.210 1.00 0.00 C ATOM 800 C VAL A 69 8.106 -5.956 -10.892 1.00 0.00 C ATOM 801 O VAL A 69 7.405 -5.770 -11.877 1.00 0.00 O ATOM 802 CB VAL A 69 7.143 -7.404 -9.015 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.693 -7.105 -9.484 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.227 -8.773 -8.297 1.00 0.00 C ATOM 0 H VAL A 69 9.650 -7.561 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 69 7.893 -8.112 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 69 7.416 -6.625 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.017 -7.156 -8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.650 -6.108 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.393 -7.841 -10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.512 -8.797 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.994 -9.569 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.234 -8.918 -7.907 1.00 0.00 H new ATOM 814 N ALA A 70 8.913 -5.007 -10.387 1.00 0.00 N ATOM 815 CA ALA A 70 8.924 -3.595 -10.843 1.00 0.00 C ATOM 816 C ALA A 70 9.631 -3.407 -12.199 1.00 0.00 C ATOM 817 O ALA A 70 9.743 -2.278 -12.675 1.00 0.00 O ATOM 818 CB ALA A 70 9.560 -2.694 -9.762 1.00 0.00 C ATOM 0 H ALA A 70 9.585 -5.195 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 70 7.886 -3.299 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.563 -1.660 -10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.982 -2.768 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.584 -3.017 -9.575 1.00 0.00 H new ATOM 824 N LYS A 71 10.108 -4.494 -12.820 1.00 0.00 N ATOM 825 CA LYS A 71 10.664 -4.439 -14.193 1.00 0.00 C ATOM 826 C LYS A 71 9.580 -4.801 -15.236 1.00 0.00 C ATOM 827 O LYS A 71 9.738 -4.498 -16.424 1.00 0.00 O ATOM 828 CB LYS A 71 11.895 -5.383 -14.342 1.00 0.00 C ATOM 829 CG LYS A 71 11.564 -6.892 -14.414 1.00 0.00 C ATOM 830 CD LYS A 71 12.812 -7.781 -14.602 1.00 0.00 C ATOM 831 CE LYS A 71 13.788 -7.701 -13.415 1.00 0.00 C ATOM 832 NZ LYS A 71 14.991 -8.541 -13.626 1.00 0.00 N ATOM 0 H LYS A 71 10.123 -5.424 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 71 10.997 -3.417 -14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.440 -5.104 -15.244 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.566 -5.214 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.049 -7.188 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.874 -7.067 -15.239 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.498 -8.816 -14.738 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.331 -7.483 -15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.091 -6.665 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.279 -8.019 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.621 -8.458 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.705 -9.534 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.492 -8.222 -14.480 1.00 0.00 H new ATOM 846 N THR A 72 8.487 -5.449 -14.769 1.00 0.00 N ATOM 847 CA THR A 72 7.469 -6.059 -15.646 1.00 0.00 C ATOM 848 C THR A 72 6.038 -5.612 -15.265 1.00 0.00 C ATOM 849 O THR A 72 5.093 -5.833 -16.021 1.00 0.00 O ATOM 850 CB THR A 72 7.585 -7.624 -15.586 1.00 0.00 C ATOM 851 OG1 THR A 72 6.710 -8.232 -16.551 1.00 0.00 O ATOM 852 CG2 THR A 72 7.273 -8.182 -14.182 1.00 0.00 C ATOM 0 H THR A 72 8.289 -5.562 -13.775 1.00 0.00 H new ATOM 0 HA THR A 72 7.656 -5.718 -16.664 1.00 0.00 H new ATOM 0 HB THR A 72 8.620 -7.872 -15.821 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.008 -7.596 -16.803 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.367 -9.268 -14.193 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.975 -7.764 -13.460 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.256 -7.909 -13.899 1.00 0.00 H new ATOM 860 N ALA A 73 5.888 -4.992 -14.089 1.00 0.00 N ATOM 861 CA ALA A 73 4.616 -4.410 -13.631 1.00 0.00 C ATOM 862 C ALA A 73 4.667 -2.910 -13.884 1.00 0.00 C ATOM 863 O ALA A 73 5.293 -2.177 -13.112 1.00 0.00 O ATOM 864 CB ALA A 73 4.386 -4.709 -12.135 1.00 0.00 C ATOM 0 H ALA A 73 6.651 -4.878 -13.421 1.00 0.00 H new ATOM 0 HA ALA A 73 3.783 -4.851 -14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.440 -4.270 -11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.355 -5.787 -11.980 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.200 -4.281 -11.549 1.00 0.00 H new ATOM 870 N ASN A 74 4.064 -2.465 -14.997 1.00 0.00 N ATOM 871 CA ASN A 74 4.062 -1.037 -15.385 1.00 0.00 C ATOM 872 C ASN A 74 3.154 -0.231 -14.450 1.00 0.00 C ATOM 873 O ASN A 74 2.389 -0.811 -13.663 1.00 0.00 O ATOM 874 CB ASN A 74 3.628 -0.844 -16.870 1.00 0.00 C ATOM 875 CG ASN A 74 2.153 -1.156 -17.167 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.557 -2.047 -16.571 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.555 -0.417 -18.091 1.00 0.00 N ATOM 0 H ASN A 74 3.568 -3.072 -15.650 1.00 0.00 H new ATOM 0 HA ASN A 74 5.083 -0.667 -15.291 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.830 0.187 -17.160 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.251 -1.480 -17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.575 -0.583 -18.322 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.075 0.318 -18.571 1.00 0.00 H new ATOM 884 N LYS A 75 3.228 1.105 -14.556 1.00 0.00 N ATOM 885 CA LYS A 75 2.487 2.006 -13.667 1.00 0.00 C ATOM 886 C LYS A 75 0.964 1.791 -13.809 1.00 0.00 C ATOM 887 O LYS A 75 0.252 1.759 -12.807 1.00 0.00 O ATOM 888 CB LYS A 75 2.858 3.490 -13.932 1.00 0.00 C ATOM 889 CG LYS A 75 2.276 4.460 -12.888 1.00 0.00 C ATOM 890 CD LYS A 75 2.782 4.160 -11.449 1.00 0.00 C ATOM 891 CE LYS A 75 4.240 4.580 -11.221 1.00 0.00 C ATOM 892 NZ LYS A 75 4.443 6.030 -11.483 1.00 0.00 N ATOM 0 H LYS A 75 3.797 1.585 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 75 2.772 1.767 -12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.943 3.589 -13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.501 3.775 -14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.543 5.482 -13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.188 4.399 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.145 4.678 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.683 3.093 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.528 4.352 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.892 3.998 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.304 6.353 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.543 6.187 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.624 6.565 -11.129 1.00 0.00 H new ATOM 906 N ASP A 76 0.501 1.595 -15.060 1.00 0.00 N ATOM 907 CA ASP A 76 -0.934 1.373 -15.378 1.00 0.00 C ATOM 908 C ASP A 76 -1.493 0.146 -14.634 1.00 0.00 C ATOM 909 O ASP A 76 -2.611 0.194 -14.106 1.00 0.00 O ATOM 910 CB ASP A 76 -1.142 1.201 -16.905 1.00 0.00 C ATOM 911 CG ASP A 76 -0.767 2.452 -17.710 1.00 0.00 C ATOM 912 OD1 ASP A 76 -1.574 3.410 -17.744 1.00 0.00 O ATOM 913 OD2 ASP A 76 0.328 2.490 -18.323 1.00 0.00 O ATOM 0 H ASP A 76 1.106 1.585 -15.881 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.479 2.256 -15.043 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.544 0.359 -17.254 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.186 0.952 -17.097 1.00 0.00 H new ATOM 918 N HIS A 77 -0.688 -0.935 -14.573 1.00 0.00 N ATOM 919 CA HIS A 77 -1.014 -2.169 -13.826 1.00 0.00 C ATOM 920 C HIS A 77 -1.173 -1.873 -12.321 1.00 0.00 C ATOM 921 O HIS A 77 -2.062 -2.416 -11.670 1.00 0.00 O ATOM 922 CB HIS A 77 0.095 -3.239 -14.062 1.00 0.00 C ATOM 923 CG HIS A 77 0.012 -4.461 -13.178 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.907 -5.467 -13.359 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.740 -4.819 -12.095 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.735 -6.384 -12.429 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.262 -6.017 -11.649 1.00 0.00 N ATOM 0 H HIS A 77 0.215 -0.977 -15.045 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.964 -2.559 -14.192 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.051 -3.560 -15.103 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.067 -2.769 -13.914 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.554 -4.257 -11.661 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.316 -7.288 -12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.616 -6.540 -10.848 1.00 0.00 H new ATOM 936 N LEU A 78 -0.294 -1.012 -11.790 1.00 0.00 N ATOM 937 CA LEU A 78 -0.251 -0.683 -10.348 1.00 0.00 C ATOM 938 C LEU A 78 -1.382 0.260 -9.927 1.00 0.00 C ATOM 939 O LEU A 78 -1.808 0.232 -8.766 1.00 0.00 O ATOM 940 CB LEU A 78 1.113 -0.068 -9.982 1.00 0.00 C ATOM 941 CG LEU A 78 2.352 -0.949 -10.299 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.625 -0.293 -9.772 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.188 -2.385 -9.756 1.00 0.00 C ATOM 0 H LEU A 78 0.409 -0.521 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.390 -1.617 -9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.218 0.879 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.115 0.160 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 78 2.436 -1.030 -11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.483 -0.925 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.754 0.681 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.549 -0.166 -8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.076 -2.969 -9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.059 -2.352 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.313 -2.849 -10.212 1.00 0.00 H new ATOM 955 N VAL A 79 -1.854 1.100 -10.865 1.00 0.00 N ATOM 956 CA VAL A 79 -3.037 1.953 -10.658 1.00 0.00 C ATOM 957 C VAL A 79 -4.280 1.055 -10.554 1.00 0.00 C ATOM 958 O VAL A 79 -5.074 1.174 -9.614 1.00 0.00 O ATOM 959 CB VAL A 79 -3.230 3.000 -11.828 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.477 3.883 -11.583 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.964 3.874 -12.018 1.00 0.00 C ATOM 0 H VAL A 79 -1.427 1.206 -11.785 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.893 2.520 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.388 2.439 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.586 4.594 -12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.364 3.252 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.360 4.426 -10.645 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.130 4.583 -12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.756 4.419 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.115 3.236 -12.261 1.00 0.00 H new ATOM 971 N THR A 80 -4.387 0.124 -11.520 1.00 0.00 N ATOM 972 CA THR A 80 -5.466 -0.872 -11.581 1.00 0.00 C ATOM 973 C THR A 80 -5.464 -1.771 -10.328 1.00 0.00 C ATOM 974 O THR A 80 -6.517 -2.045 -9.764 1.00 0.00 O ATOM 975 CB THR A 80 -5.347 -1.736 -12.880 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.328 -0.864 -14.021 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.504 -2.745 -13.039 1.00 0.00 C ATOM 0 H THR A 80 -3.719 0.044 -12.286 1.00 0.00 H new ATOM 0 HA THR A 80 -6.415 -0.337 -11.609 1.00 0.00 H new ATOM 0 HB THR A 80 -4.424 -2.310 -12.804 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.433 -0.478 -14.123 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.366 -3.315 -13.958 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.513 -3.426 -12.188 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.451 -2.208 -13.084 1.00 0.00 H new ATOM 985 N ALA A 81 -4.270 -2.156 -9.860 1.00 0.00 N ATOM 986 CA ALA A 81 -4.112 -3.031 -8.690 1.00 0.00 C ATOM 987 C ALA A 81 -4.502 -2.309 -7.385 1.00 0.00 C ATOM 988 O ALA A 81 -5.192 -2.882 -6.535 1.00 0.00 O ATOM 989 CB ALA A 81 -2.664 -3.536 -8.616 1.00 0.00 C ATOM 0 H ALA A 81 -3.386 -1.870 -10.281 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.785 -3.880 -8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.549 -4.185 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.427 -4.096 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.987 -2.687 -8.527 1.00 0.00 H new ATOM 995 N TYR A 82 -4.066 -1.034 -7.261 1.00 0.00 N ATOM 996 CA TYR A 82 -4.320 -0.185 -6.077 1.00 0.00 C ATOM 997 C TYR A 82 -5.827 0.060 -5.894 1.00 0.00 C ATOM 998 O TYR A 82 -6.396 -0.303 -4.864 1.00 0.00 O ATOM 999 CB TYR A 82 -3.534 1.148 -6.232 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.679 2.176 -5.100 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.971 2.061 -3.894 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.477 3.308 -5.262 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -3.076 3.029 -2.909 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.564 4.274 -4.288 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.860 4.133 -3.116 1.00 0.00 C ATOM 1006 OH TYR A 82 -3.939 5.103 -2.142 1.00 0.00 O ATOM 0 H TYR A 82 -3.524 -0.563 -7.986 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.972 -0.694 -5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.476 0.908 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.849 1.621 -7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.334 1.204 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.041 3.429 -6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.540 2.913 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.185 5.144 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.208 5.953 -2.548 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.477 0.597 -6.943 1.00 0.00 N ATOM 1017 CA ASN A 83 -7.907 0.974 -6.890 1.00 0.00 C ATOM 1018 C ASN A 83 -8.814 -0.262 -6.702 1.00 0.00 C ATOM 1019 O ASN A 83 -9.707 -0.263 -5.843 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.330 1.773 -8.151 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.782 3.211 -8.192 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.349 4.112 -7.592 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -6.715 3.456 -8.941 1.00 0.00 N ATOM 0 H ASN A 83 -6.034 0.781 -7.843 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.034 1.620 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.989 1.239 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.418 1.808 -8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.357 4.407 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.253 2.693 -9.436 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.554 -1.318 -7.500 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.334 -2.578 -7.470 1.00 0.00 C ATOM 1032 C HIS A 84 -9.144 -3.345 -6.149 1.00 0.00 C ATOM 1033 O HIS A 84 -10.013 -4.149 -5.790 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.022 -3.487 -8.689 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.683 -3.036 -9.964 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.703 -3.735 -10.564 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.468 -1.954 -10.746 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -11.087 -3.107 -11.651 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.357 -2.024 -11.785 1.00 0.00 N ATOM 0 H HIS A 84 -7.798 -1.324 -8.184 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.383 -2.290 -7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.943 -3.519 -8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.342 -4.504 -8.464 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.733 -1.180 -10.582 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.871 -3.427 -12.322 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.439 -1.344 -12.541 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.017 -3.119 -5.443 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.765 -3.766 -4.133 1.00 0.00 C ATOM 1050 C LEU A 85 -8.870 -3.404 -3.132 1.00 0.00 C ATOM 1051 O LEU A 85 -9.507 -4.276 -2.543 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.383 -3.326 -3.549 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.043 -3.828 -2.100 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.250 -5.337 -1.969 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.616 -3.427 -1.664 1.00 0.00 C ATOM 0 H LEU A 85 -7.270 -2.498 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.758 -4.844 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.601 -3.675 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.343 -2.237 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.739 -3.331 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.006 -5.651 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.290 -5.582 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.602 -5.856 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.426 -3.796 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.890 -3.861 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.523 -2.341 -1.676 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.062 -2.098 -2.980 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.004 -1.503 -2.020 1.00 0.00 C ATOM 1069 C PHE A 86 -11.455 -1.649 -2.513 1.00 0.00 C ATOM 1070 O PHE A 86 -12.385 -1.735 -1.713 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.640 -0.026 -1.804 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.134 0.232 -1.675 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.325 -0.497 -0.805 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.543 1.223 -2.423 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -5.969 -0.227 -0.713 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.204 1.486 -2.332 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.420 0.770 -1.469 1.00 0.00 C ATOM 0 H PHE A 86 -8.559 -1.402 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.930 -2.031 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.028 0.559 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.138 0.333 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.758 -1.278 -0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.150 1.807 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.347 -0.804 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.764 2.261 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.367 0.993 -1.385 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.609 -1.669 -3.850 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.899 -1.877 -4.548 1.00 0.00 C ATOM 1089 C GLU A 87 -13.576 -3.176 -4.084 1.00 0.00 C ATOM 1090 O GLU A 87 -14.792 -3.224 -3.874 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.630 -1.941 -6.079 1.00 0.00 C ATOM 1092 CG GLU A 87 -13.819 -2.351 -6.973 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.378 -2.767 -8.388 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -12.920 -3.924 -8.558 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.483 -1.954 -9.328 1.00 0.00 O ATOM 0 H GLU A 87 -10.827 -1.539 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.568 -1.049 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.281 -0.961 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.815 -2.644 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.353 -3.178 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.519 -1.519 -7.044 1.00 0.00 H new ATOM 1102 N THR A 88 -12.758 -4.220 -3.902 1.00 0.00 N ATOM 1103 CA THR A 88 -13.207 -5.567 -3.531 1.00 0.00 C ATOM 1104 C THR A 88 -12.760 -5.935 -2.100 1.00 0.00 C ATOM 1105 O THR A 88 -13.166 -6.979 -1.573 1.00 0.00 O ATOM 1106 CB THR A 88 -12.634 -6.595 -4.555 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.208 -6.441 -4.638 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.242 -6.410 -5.959 1.00 0.00 C ATOM 0 H THR A 88 -11.746 -4.150 -4.011 1.00 0.00 H new ATOM 0 HA THR A 88 -14.297 -5.590 -3.551 1.00 0.00 H new ATOM 0 HB THR A 88 -12.894 -7.593 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.996 -5.617 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.815 -7.146 -6.640 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.322 -6.546 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.019 -5.407 -6.323 1.00 0.00 H new ATOM 1116 N LYS A 89 -11.925 -5.060 -1.497 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.341 -5.242 -0.148 1.00 0.00 C ATOM 1118 C LYS A 89 -10.630 -6.610 -0.006 1.00 0.00 C ATOM 1119 O LYS A 89 -10.737 -7.280 1.021 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.406 -4.989 0.960 1.00 0.00 C ATOM 1121 CG LYS A 89 -12.996 -3.557 0.942 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.918 -3.220 2.149 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.159 -2.950 3.475 1.00 0.00 C ATOM 1124 NZ LYS A 89 -12.567 -4.172 4.094 1.00 0.00 N ATOM 0 H LYS A 89 -11.632 -4.190 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.563 -4.490 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.217 -5.708 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.954 -5.174 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.175 -2.840 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.563 -3.423 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.516 -2.343 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.612 -4.046 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.364 -2.229 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.844 -2.490 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.692 -4.134 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.043 -5.017 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.553 -4.218 3.870 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.863 -6.976 -1.054 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.095 -8.251 -1.112 1.00 0.00 C ATOM 1140 C ARG A 90 -7.910 -8.283 -0.135 1.00 0.00 C ATOM 1141 O ARG A 90 -7.257 -9.314 0.014 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.588 -8.500 -2.557 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.671 -8.972 -3.531 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.137 -9.138 -4.951 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.155 -9.750 -5.819 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.227 -9.658 -7.150 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -9.310 -9.010 -7.850 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.217 -10.259 -7.783 1.00 0.00 N ATOM 0 H ARG A 90 -9.754 -6.399 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.780 -9.044 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.148 -7.579 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.793 -9.245 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.080 -9.921 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.491 -8.254 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.846 -8.167 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.241 -9.759 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.879 -10.300 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.525 -8.566 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.388 -8.955 -8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.914 -10.785 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.285 -10.197 -8.799 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.614 -7.147 0.477 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.600 -7.062 1.519 1.00 0.00 C ATOM 1164 C PHE A 91 -7.015 -7.855 2.779 1.00 0.00 C ATOM 1165 O PHE A 91 -8.174 -7.799 3.215 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.263 -5.584 1.844 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.450 -4.658 2.127 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.094 -4.654 3.362 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.912 -3.779 1.150 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.155 -3.811 3.606 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.975 -2.933 1.399 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.596 -2.951 2.625 1.00 0.00 C ATOM 0 H PHE A 91 -8.069 -6.259 0.267 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.689 -7.527 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.603 -5.567 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.700 -5.171 1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.756 -5.322 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.432 -3.759 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.643 -3.824 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.318 -2.257 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.429 -2.291 2.819 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.067 -8.635 3.300 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.212 -9.359 4.561 1.00 0.00 C ATOM 1184 C LYS A 92 -5.804 -8.425 5.723 1.00 0.00 C ATOM 1185 O LYS A 92 -6.685 -7.997 6.503 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.346 -10.646 4.539 1.00 0.00 C ATOM 1187 CG LYS A 92 -5.379 -11.461 5.859 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.565 -12.770 5.784 1.00 0.00 C ATOM 1189 CE LYS A 92 -4.672 -13.603 7.074 1.00 0.00 C ATOM 1190 NZ LYS A 92 -6.074 -13.993 7.366 1.00 0.00 N ATOM 1191 OXT LYS A 92 -4.602 -8.075 5.815 1.00 0.00 O ATOM 0 H LYS A 92 -5.164 -8.783 2.850 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.249 -9.663 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.685 -11.284 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.314 -10.372 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.990 -10.844 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.414 -11.698 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.916 -13.365 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.518 -12.533 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.058 -14.499 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.273 -13.030 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.084 -14.725 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.604 -13.161 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.518 -14.366 6.502 1.00 0.00 H new