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 60 HIS : no HD1:sc= 0.809 K(o=0.81,f=-2.9!) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.00546 USER MOD Set 2.1: A 30 THR OG1 : rot -84:sc= 0.242 USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= 0.41 F(o=-0.3,f=0.65) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.067) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.178 (180deg=0.158) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 140:sc= 0.725 (180deg=-0.0447) USER MOD Single : A 49 GLN : amide:sc= 0.0219 K(o=0.022,f=-0.6) USER MOD Single : A 51 HIS : no HE2:sc= 0.74 K(o=0.74,f=-2.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0165) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 1.92 (180deg=1.76) USER MOD Single : A 77 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.64) USER MOD Single : A 80 THR OG1 : rot 91:sc= 0.594 USER MOD Single : A 82 TYR OH : rot 68:sc= -0.562 USER MOD Single : A 83 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.062) USER MOD Single : A 84 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 88 THR OG1 : rot -65:sc= 0.0354 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc=-0.00414 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.296 4.874 1.921 1.00 0.00 N ATOM 96 CA ARG A 27 -4.618 5.254 0.669 1.00 0.00 C ATOM 97 C ARG A 27 -3.292 5.985 0.972 1.00 0.00 C ATOM 98 O ARG A 27 -3.245 6.892 1.811 1.00 0.00 O ATOM 99 CB ARG A 27 -5.536 6.099 -0.266 1.00 0.00 C ATOM 100 CG ARG A 27 -5.677 7.609 0.058 1.00 0.00 C ATOM 101 CD ARG A 27 -6.413 7.907 1.379 1.00 0.00 C ATOM 102 NE ARG A 27 -6.453 9.351 1.672 1.00 0.00 N ATOM 103 CZ ARG A 27 -6.707 9.896 2.873 1.00 0.00 C ATOM 104 NH1 ARG A 27 -7.015 9.141 3.915 1.00 0.00 N ATOM 105 NH2 ARG A 27 -6.683 11.212 3.006 1.00 0.00 N ATOM 0 HA ARG A 27 -4.388 4.336 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.159 6.005 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.532 5.656 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.683 8.054 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.209 8.096 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.430 7.520 1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.917 7.384 2.197 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.273 9.990 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.063 8.127 3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.205 9.573 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.473 11.802 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.874 11.636 3.914 1.00 0.00 H new ATOM 119 N ALA A 28 -2.211 5.508 0.354 1.00 0.00 N ATOM 120 CA ALA A 28 -0.873 6.099 0.517 1.00 0.00 C ATOM 121 C ALA A 28 -0.703 7.254 -0.476 1.00 0.00 C ATOM 122 O ALA A 28 -0.133 8.298 -0.147 1.00 0.00 O ATOM 123 CB ALA A 28 0.210 5.026 0.337 1.00 0.00 C ATOM 0 H ALA A 28 -2.233 4.704 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.766 6.498 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.194 5.478 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.074 4.243 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.132 4.594 -0.661 1.00 0.00 H new ATOM 129 N TRP A 29 -1.238 7.046 -1.693 1.00 0.00 N ATOM 130 CA TRP A 29 -1.221 8.026 -2.796 1.00 0.00 C ATOM 131 C TRP A 29 -2.600 8.028 -3.472 1.00 0.00 C ATOM 132 O TRP A 29 -3.324 7.031 -3.413 1.00 0.00 O ATOM 133 CB TRP A 29 -0.124 7.664 -3.848 1.00 0.00 C ATOM 134 CG TRP A 29 1.218 7.308 -3.250 1.00 0.00 C ATOM 135 CD1 TRP A 29 2.203 8.163 -2.829 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.703 5.985 -2.999 1.00 0.00 C ATOM 137 NE1 TRP A 29 3.256 7.447 -2.323 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.970 6.110 -2.415 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.178 4.708 -3.207 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.722 5.006 -2.034 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.924 3.614 -2.833 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.186 3.768 -2.253 1.00 0.00 C ATOM 0 H TRP A 29 -1.704 6.174 -1.943 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.992 9.012 -2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.475 6.825 -4.448 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.006 8.508 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.156 9.240 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.114 7.845 -1.940 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.203 4.581 -3.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.695 5.122 -1.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.528 2.621 -2.990 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.749 2.891 -1.972 1.00 0.00 H new ATOM 153 N THR A 30 -2.956 9.155 -4.105 1.00 0.00 N ATOM 154 CA THR A 30 -4.193 9.269 -4.904 1.00 0.00 C ATOM 155 C THR A 30 -3.931 8.775 -6.339 1.00 0.00 C ATOM 156 O THR A 30 -2.781 8.519 -6.697 1.00 0.00 O ATOM 157 CB THR A 30 -4.722 10.741 -4.935 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.714 11.606 -5.482 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.130 11.232 -3.527 1.00 0.00 C ATOM 0 H THR A 30 -2.401 10.010 -4.081 1.00 0.00 H new ATOM 0 HA THR A 30 -4.957 8.649 -4.435 1.00 0.00 H new ATOM 0 HB THR A 30 -5.611 10.765 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.085 11.863 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.492 12.258 -3.590 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.920 10.592 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.266 11.192 -2.863 1.00 0.00 H new ATOM 167 N VAL A 31 -5.001 8.682 -7.156 1.00 0.00 N ATOM 168 CA VAL A 31 -4.934 8.173 -8.546 1.00 0.00 C ATOM 169 C VAL A 31 -3.926 8.981 -9.407 1.00 0.00 C ATOM 170 O VAL A 31 -3.152 8.400 -10.181 1.00 0.00 O ATOM 171 CB VAL A 31 -6.374 8.151 -9.211 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.014 9.565 -9.252 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.360 7.496 -10.619 1.00 0.00 C ATOM 0 H VAL A 31 -5.940 8.958 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.568 7.147 -8.503 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.000 7.527 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.999 9.505 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.113 9.949 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.380 10.235 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.368 7.504 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.693 8.056 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.009 6.467 -10.538 1.00 0.00 H new ATOM 183 N GLU A 32 -3.926 10.319 -9.223 1.00 0.00 N ATOM 184 CA GLU A 32 -3.030 11.246 -9.941 1.00 0.00 C ATOM 185 C GLU A 32 -1.568 11.114 -9.455 1.00 0.00 C ATOM 186 O GLU A 32 -0.635 11.209 -10.261 1.00 0.00 O ATOM 187 CB GLU A 32 -3.533 12.704 -9.797 1.00 0.00 C ATOM 188 CG GLU A 32 -3.683 13.205 -8.348 1.00 0.00 C ATOM 189 CD GLU A 32 -4.061 14.691 -8.282 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.249 15.023 -8.491 1.00 0.00 O ATOM 191 OE2 GLU A 32 -3.173 15.537 -8.053 1.00 0.00 O ATOM 0 H GLU A 32 -4.552 10.787 -8.568 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.046 10.977 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.843 13.363 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.498 12.790 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.446 12.615 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.747 13.046 -7.812 1.00 0.00 H new ATOM 198 N GLN A 33 -1.385 10.898 -8.137 1.00 0.00 N ATOM 199 CA GLN A 33 -0.059 10.664 -7.538 1.00 0.00 C ATOM 200 C GLN A 33 0.540 9.332 -8.027 1.00 0.00 C ATOM 201 O GLN A 33 1.742 9.251 -8.256 1.00 0.00 O ATOM 202 CB GLN A 33 -0.146 10.689 -5.993 1.00 0.00 C ATOM 203 CG GLN A 33 -0.407 12.080 -5.393 1.00 0.00 C ATOM 204 CD GLN A 33 -0.441 12.058 -3.866 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.619 11.919 -3.283 1.00 0.00 O flip ATOM 206 NE2 GLN A 33 0.592 12.178 -3.216 1.00 0.00 N flip ATOM 0 H GLN A 33 -2.149 10.881 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 33 0.603 11.469 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.941 10.015 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.785 10.299 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.370 12.768 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.356 12.463 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.486 12.284 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.557 12.172 -2.197 1.00 0.00 H new ATOM 215 N LEU A 34 -0.314 8.317 -8.218 1.00 0.00 N ATOM 216 CA LEU A 34 0.109 6.981 -8.679 1.00 0.00 C ATOM 217 C LEU A 34 0.674 7.046 -10.107 1.00 0.00 C ATOM 218 O LEU A 34 1.776 6.560 -10.370 1.00 0.00 O ATOM 219 CB LEU A 34 -1.080 5.999 -8.632 1.00 0.00 C ATOM 220 CG LEU A 34 -1.583 5.596 -7.217 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.916 4.845 -7.318 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.525 4.761 -6.456 1.00 0.00 C ATOM 0 H LEU A 34 -1.318 8.396 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 34 0.894 6.626 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.913 6.443 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.796 5.092 -9.166 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.746 6.508 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.255 4.570 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.660 5.487 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.782 3.944 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.910 4.497 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.307 3.852 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.388 5.346 -6.344 1.00 0.00 H new ATOM 234 N ARG A 35 -0.096 7.691 -11.014 1.00 0.00 N ATOM 235 CA ARG A 35 0.268 7.821 -12.440 1.00 0.00 C ATOM 236 C ARG A 35 1.405 8.844 -12.648 1.00 0.00 C ATOM 237 O ARG A 35 2.021 8.868 -13.721 1.00 0.00 O ATOM 238 CB ARG A 35 -0.977 8.190 -13.297 1.00 0.00 C ATOM 239 CG ARG A 35 -1.620 9.553 -12.946 1.00 0.00 C ATOM 240 CD ARG A 35 -2.865 9.873 -13.788 1.00 0.00 C ATOM 241 NE ARG A 35 -2.547 10.064 -15.219 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.440 10.288 -16.190 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.744 10.247 -15.944 1.00 0.00 N ATOM 244 NH2 ARG A 35 -3.014 10.529 -17.416 1.00 0.00 N ATOM 0 H ARG A 35 -0.984 8.134 -10.777 1.00 0.00 H new ATOM 0 HA ARG A 35 0.638 6.852 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.688 8.199 -14.348 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.727 7.408 -13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.893 9.557 -11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.882 10.342 -13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.587 9.063 -13.685 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.339 10.775 -13.401 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.564 10.021 -15.489 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.079 10.042 -15.003 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.411 10.420 -16.696 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.014 10.543 -17.615 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.685 10.701 -18.165 1.00 0.00 H new ATOM 258 N SER A 36 1.677 9.673 -11.611 1.00 0.00 N ATOM 259 CA SER A 36 2.744 10.695 -11.645 1.00 0.00 C ATOM 260 C SER A 36 4.112 10.057 -11.961 1.00 0.00 C ATOM 261 O SER A 36 4.503 9.077 -11.326 1.00 0.00 O ATOM 262 CB SER A 36 2.810 11.454 -10.302 1.00 0.00 C ATOM 263 OG SER A 36 3.831 12.442 -10.308 1.00 0.00 O ATOM 0 H SER A 36 1.162 9.650 -10.731 1.00 0.00 H new ATOM 0 HA SER A 36 2.504 11.403 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.848 11.926 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.992 10.747 -9.493 1.00 0.00 H new ATOM 0 HG SER A 36 3.844 12.904 -9.444 1.00 0.00 H new ATOM 269 N GLU A 37 4.810 10.636 -12.952 1.00 0.00 N ATOM 270 CA GLU A 37 6.118 10.152 -13.445 1.00 0.00 C ATOM 271 C GLU A 37 7.231 10.327 -12.390 1.00 0.00 C ATOM 272 O GLU A 37 8.297 9.704 -12.491 1.00 0.00 O ATOM 273 CB GLU A 37 6.492 10.921 -14.736 1.00 0.00 C ATOM 274 CG GLU A 37 5.436 10.827 -15.855 1.00 0.00 C ATOM 275 CD GLU A 37 5.736 11.755 -17.045 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.459 11.337 -17.972 1.00 0.00 O ATOM 277 OE2 GLU A 37 5.248 12.905 -17.059 1.00 0.00 O ATOM 0 H GLU A 37 4.479 11.467 -13.443 1.00 0.00 H new ATOM 0 HA GLU A 37 6.029 9.086 -13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.650 11.971 -14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.440 10.537 -15.113 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.381 9.798 -16.209 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.457 11.076 -15.445 1.00 0.00 H new ATOM 284 N GLN A 38 6.977 11.204 -11.403 1.00 0.00 N ATOM 285 CA GLN A 38 7.878 11.426 -10.262 1.00 0.00 C ATOM 286 C GLN A 38 7.877 10.218 -9.304 1.00 0.00 C ATOM 287 O GLN A 38 8.872 9.957 -8.612 1.00 0.00 O ATOM 288 CB GLN A 38 7.468 12.724 -9.516 1.00 0.00 C ATOM 289 CG GLN A 38 7.505 14.006 -10.378 1.00 0.00 C ATOM 290 CD GLN A 38 8.868 14.260 -11.023 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.130 13.832 -12.146 1.00 0.00 O ATOM 292 NE2 GLN A 38 9.755 14.929 -10.303 1.00 0.00 N ATOM 0 H GLN A 38 6.136 11.781 -11.376 1.00 0.00 H new ATOM 0 HA GLN A 38 8.894 11.540 -10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.460 12.597 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.130 12.859 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.749 13.932 -11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.239 14.861 -9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.505 15.270 -9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.688 15.103 -10.676 1.00 0.00 H new ATOM 301 N LEU A 39 6.747 9.499 -9.275 1.00 0.00 N ATOM 302 CA LEU A 39 6.564 8.295 -8.451 1.00 0.00 C ATOM 303 C LEU A 39 6.960 7.052 -9.308 1.00 0.00 C ATOM 304 O LEU A 39 6.496 6.932 -10.440 1.00 0.00 O ATOM 305 CB LEU A 39 5.073 8.237 -7.960 1.00 0.00 C ATOM 306 CG LEU A 39 4.766 7.378 -6.679 1.00 0.00 C ATOM 307 CD1 LEU A 39 3.340 7.615 -6.155 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.967 5.882 -6.916 1.00 0.00 C ATOM 0 H LEU A 39 5.925 9.739 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 39 7.199 8.311 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.741 9.258 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.464 7.852 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 39 5.483 7.711 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.171 7.002 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.217 8.667 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.619 7.345 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.742 5.335 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.302 5.547 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.001 5.695 -7.205 1.00 0.00 H new ATOM 320 N PRO A 40 7.877 6.150 -8.813 1.00 0.00 N ATOM 321 CA PRO A 40 8.187 4.836 -9.470 1.00 0.00 C ATOM 322 C PRO A 40 7.014 3.814 -9.400 1.00 0.00 C ATOM 323 O PRO A 40 5.841 4.190 -9.479 1.00 0.00 O ATOM 324 CB PRO A 40 9.451 4.341 -8.683 1.00 0.00 C ATOM 325 CG PRO A 40 9.972 5.568 -7.998 1.00 0.00 C ATOM 326 CD PRO A 40 8.750 6.367 -7.636 1.00 0.00 C ATOM 0 HA PRO A 40 8.355 4.941 -10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.191 3.565 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.196 3.916 -9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.550 5.308 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.633 6.135 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.288 6.011 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.982 7.422 -7.489 1.00 0.00 H new ATOM 334 N LYS A 41 7.346 2.504 -9.349 1.00 0.00 N ATOM 335 CA LYS A 41 6.352 1.412 -9.227 1.00 0.00 C ATOM 336 C LYS A 41 6.629 0.545 -7.988 1.00 0.00 C ATOM 337 O LYS A 41 5.700 -0.002 -7.403 1.00 0.00 O ATOM 338 CB LYS A 41 6.356 0.498 -10.487 1.00 0.00 C ATOM 339 CG LYS A 41 6.031 1.198 -11.837 1.00 0.00 C ATOM 340 CD LYS A 41 7.284 1.707 -12.593 1.00 0.00 C ATOM 341 CE LYS A 41 8.247 0.558 -12.959 1.00 0.00 C ATOM 342 NZ LYS A 41 7.570 -0.537 -13.716 1.00 0.00 N ATOM 0 H LYS A 41 8.310 2.174 -9.391 1.00 0.00 H new ATOM 0 HA LYS A 41 5.375 1.886 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.337 0.031 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.633 -0.303 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.490 0.501 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.365 2.040 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.974 2.223 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.808 2.436 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.069 0.953 -13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.683 0.149 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.272 -1.251 -13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.847 -0.980 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.118 -0.143 -14.566 1.00 0.00 H new ATOM 356 N LYS A 42 7.913 0.431 -7.606 1.00 0.00 N ATOM 357 CA LYS A 42 8.383 -0.499 -6.547 1.00 0.00 C ATOM 358 C LYS A 42 7.751 -0.207 -5.174 1.00 0.00 C ATOM 359 O LYS A 42 7.399 -1.133 -4.429 1.00 0.00 O ATOM 360 CB LYS A 42 9.939 -0.468 -6.495 1.00 0.00 C ATOM 361 CG LYS A 42 10.572 0.951 -6.392 1.00 0.00 C ATOM 362 CD LYS A 42 12.091 0.951 -6.703 1.00 0.00 C ATOM 363 CE LYS A 42 12.718 2.361 -6.694 1.00 0.00 C ATOM 364 NZ LYS A 42 12.754 2.960 -5.333 1.00 0.00 N ATOM 0 H LYS A 42 8.664 0.982 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 42 8.055 -1.506 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.270 -1.058 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.326 -0.957 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.063 1.623 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.410 1.345 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.604 0.328 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.255 0.495 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.732 2.307 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.150 3.012 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.184 3.906 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.785 3.038 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.318 2.355 -4.702 1.00 0.00 H new ATOM 378 N ASP A 43 7.600 1.075 -4.853 1.00 0.00 N ATOM 379 CA ASP A 43 6.948 1.511 -3.609 1.00 0.00 C ATOM 380 C ASP A 43 5.432 1.219 -3.636 1.00 0.00 C ATOM 381 O ASP A 43 4.846 0.918 -2.595 1.00 0.00 O ATOM 382 CB ASP A 43 7.234 3.006 -3.325 1.00 0.00 C ATOM 383 CG ASP A 43 6.790 3.967 -4.430 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.169 3.754 -5.609 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.105 4.956 -4.119 1.00 0.00 O ATOM 0 H ASP A 43 7.923 1.843 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 43 7.374 0.933 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.735 3.287 -2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.304 3.132 -3.162 1.00 0.00 H new ATOM 390 N ILE A 44 4.809 1.290 -4.830 1.00 0.00 N ATOM 391 CA ILE A 44 3.371 0.954 -4.997 1.00 0.00 C ATOM 392 C ILE A 44 3.140 -0.555 -4.754 1.00 0.00 C ATOM 393 O ILE A 44 2.178 -0.940 -4.086 1.00 0.00 O ATOM 394 CB ILE A 44 2.814 1.336 -6.423 1.00 0.00 C ATOM 395 CG1 ILE A 44 3.156 2.814 -6.795 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.285 1.092 -6.500 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.707 3.241 -8.199 1.00 0.00 C ATOM 0 H ILE A 44 5.273 1.575 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 44 2.829 1.545 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 44 3.304 0.690 -7.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.692 3.475 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.234 2.955 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.923 1.362 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.075 0.039 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.781 1.703 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.986 4.281 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.190 2.609 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.625 3.137 -8.282 1.00 0.00 H new ATOM 409 N ILE A 45 4.030 -1.384 -5.324 1.00 0.00 N ATOM 410 CA ILE A 45 4.030 -2.855 -5.117 1.00 0.00 C ATOM 411 C ILE A 45 4.098 -3.174 -3.619 1.00 0.00 C ATOM 412 O ILE A 45 3.361 -4.032 -3.125 1.00 0.00 O ATOM 413 CB ILE A 45 5.262 -3.529 -5.824 1.00 0.00 C ATOM 414 CG1 ILE A 45 5.288 -3.194 -7.344 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.295 -5.068 -5.592 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.594 -3.561 -8.029 1.00 0.00 C ATOM 0 H ILE A 45 4.773 -1.060 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 45 3.109 -3.248 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 45 6.161 -3.113 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.470 -3.719 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.107 -2.127 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.162 -5.494 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.361 -5.274 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.385 -5.516 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.537 -3.298 -9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.415 -3.016 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.768 -4.633 -7.931 1.00 0.00 H new ATOM 428 N LYS A 46 4.990 -2.443 -2.916 1.00 0.00 N ATOM 429 CA LYS A 46 5.172 -2.583 -1.467 1.00 0.00 C ATOM 430 C LYS A 46 3.851 -2.310 -0.719 1.00 0.00 C ATOM 431 O LYS A 46 3.465 -3.078 0.145 1.00 0.00 O ATOM 432 CB LYS A 46 6.311 -1.668 -0.941 1.00 0.00 C ATOM 433 CG LYS A 46 6.448 -1.656 0.601 1.00 0.00 C ATOM 434 CD LYS A 46 7.783 -1.079 1.099 1.00 0.00 C ATOM 435 CE LYS A 46 7.848 -1.013 2.639 1.00 0.00 C ATOM 436 NZ LYS A 46 7.578 -2.331 3.272 1.00 0.00 N ATOM 0 H LYS A 46 5.599 -1.744 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 46 5.467 -3.614 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.255 -1.994 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.135 -0.650 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.630 -1.073 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.341 -2.674 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.604 -1.693 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.921 -0.079 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.833 -0.661 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.123 -0.284 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.220 -2.467 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.593 -2.361 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.732 -3.088 2.576 1.00 0.00 H new ATOM 450 N PHE A 47 3.153 -1.235 -1.131 1.00 0.00 N ATOM 451 CA PHE A 47 1.835 -0.854 -0.567 1.00 0.00 C ATOM 452 C PHE A 47 0.795 -1.982 -0.763 1.00 0.00 C ATOM 453 O PHE A 47 0.132 -2.407 0.189 1.00 0.00 O ATOM 454 CB PHE A 47 1.354 0.470 -1.230 1.00 0.00 C ATOM 455 CG PHE A 47 -0.082 0.911 -0.910 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.519 1.037 0.407 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.993 1.196 -1.930 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.815 1.436 0.694 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.286 1.594 -1.640 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.697 1.715 -0.327 1.00 0.00 C ATOM 0 H PHE A 47 3.482 -0.605 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 47 1.942 -0.698 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.032 1.269 -0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.446 0.364 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.162 0.820 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.683 1.104 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.135 1.529 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.976 1.811 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.706 2.027 -0.101 1.00 0.00 H new ATOM 470 N LEU A 48 0.705 -2.481 -1.997 1.00 0.00 N ATOM 471 CA LEU A 48 -0.303 -3.472 -2.402 1.00 0.00 C ATOM 472 C LEU A 48 -0.045 -4.856 -1.768 1.00 0.00 C ATOM 473 O LEU A 48 -0.994 -5.584 -1.477 1.00 0.00 O ATOM 474 CB LEU A 48 -0.348 -3.544 -3.954 1.00 0.00 C ATOM 475 CG LEU A 48 -0.797 -2.221 -4.674 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.731 -2.368 -6.210 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.208 -1.776 -4.214 1.00 0.00 C ATOM 0 H LEU A 48 1.334 -2.209 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.278 -3.154 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.642 -3.818 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.027 -4.345 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.095 -1.438 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.048 -1.436 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.292 -2.596 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.391 -3.176 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.487 -0.858 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.930 -2.558 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.201 -1.598 -3.139 1.00 0.00 H new ATOM 489 N GLN A 49 1.237 -5.210 -1.533 1.00 0.00 N ATOM 490 CA GLN A 49 1.596 -6.511 -0.906 1.00 0.00 C ATOM 491 C GLN A 49 1.523 -6.438 0.628 1.00 0.00 C ATOM 492 O GLN A 49 1.204 -7.435 1.279 1.00 0.00 O ATOM 493 CB GLN A 49 2.988 -7.019 -1.380 1.00 0.00 C ATOM 494 CG GLN A 49 4.204 -6.240 -0.841 1.00 0.00 C ATOM 495 CD GLN A 49 5.567 -6.813 -1.263 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.535 -6.745 -0.504 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.671 -7.352 -2.474 1.00 0.00 N ATOM 0 H GLN A 49 2.038 -4.622 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 49 0.855 -7.238 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.091 -8.064 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.014 -6.988 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.137 -5.207 -1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.154 -6.221 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.855 -7.397 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.567 -7.721 -2.793 1.00 0.00 H new ATOM 506 N GLU A 50 1.806 -5.242 1.182 1.00 0.00 N ATOM 507 CA GLU A 50 1.881 -4.997 2.646 1.00 0.00 C ATOM 508 C GLU A 50 0.522 -5.219 3.325 1.00 0.00 C ATOM 509 O GLU A 50 0.443 -5.531 4.518 1.00 0.00 O ATOM 510 CB GLU A 50 2.348 -3.536 2.909 1.00 0.00 C ATOM 511 CG GLU A 50 2.787 -3.220 4.347 1.00 0.00 C ATOM 512 CD GLU A 50 4.113 -3.902 4.731 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.081 -5.051 5.231 1.00 0.00 O ATOM 514 OE2 GLU A 50 5.190 -3.297 4.527 1.00 0.00 O ATOM 0 H GLU A 50 1.991 -4.408 0.625 1.00 0.00 H new ATOM 0 HA GLU A 50 2.596 -5.705 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.179 -3.315 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.535 -2.861 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.893 -2.141 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.007 -3.538 5.038 1.00 0.00 H new ATOM 521 N HIS A 51 -0.542 -5.017 2.542 1.00 0.00 N ATOM 522 CA HIS A 51 -1.927 -5.044 3.032 1.00 0.00 C ATOM 523 C HIS A 51 -2.758 -6.116 2.308 1.00 0.00 C ATOM 524 O HIS A 51 -3.651 -6.720 2.911 1.00 0.00 O ATOM 525 CB HIS A 51 -2.547 -3.642 2.830 1.00 0.00 C ATOM 526 CG HIS A 51 -1.742 -2.531 3.468 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.912 -1.693 2.755 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.643 -2.131 4.754 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.327 -0.847 3.574 1.00 0.00 C ATOM 530 NE2 HIS A 51 -0.754 -1.087 4.790 1.00 0.00 N ATOM 0 H HIS A 51 -0.468 -4.829 1.542 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.928 -5.302 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.641 -3.445 1.762 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.555 -3.635 3.246 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.773 -1.724 1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.167 -2.555 5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.384 -0.084 3.293 1.00 0.00 H new ATOM 539 N GLY A 52 -2.444 -6.353 1.015 1.00 0.00 N ATOM 540 CA GLY A 52 -3.222 -7.265 0.166 1.00 0.00 C ATOM 541 C GLY A 52 -2.961 -8.738 0.454 1.00 0.00 C ATOM 542 O GLY A 52 -1.900 -9.099 0.979 1.00 0.00 O ATOM 0 H GLY A 52 -1.652 -5.920 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.284 -7.059 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.990 -7.061 -0.879 1.00 0.00 H new ATOM 546 N SER A 53 -3.945 -9.587 0.097 1.00 0.00 N ATOM 547 CA SER A 53 -3.855 -11.052 0.251 1.00 0.00 C ATOM 548 C SER A 53 -3.202 -11.697 -0.990 1.00 0.00 C ATOM 549 O SER A 53 -3.001 -11.042 -2.019 1.00 0.00 O ATOM 550 CB SER A 53 -5.266 -11.644 0.519 1.00 0.00 C ATOM 551 OG SER A 53 -5.211 -13.016 0.864 1.00 0.00 O ATOM 0 H SER A 53 -4.828 -9.274 -0.308 1.00 0.00 H new ATOM 0 HA SER A 53 -3.219 -11.277 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.745 -11.087 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.886 -11.518 -0.369 1.00 0.00 H new ATOM 0 HG SER A 53 -6.118 -13.349 1.026 1.00 0.00 H new ATOM 557 N ASP A 54 -2.924 -13.009 -0.875 1.00 0.00 N ATOM 558 CA ASP A 54 -2.136 -13.786 -1.856 1.00 0.00 C ATOM 559 C ASP A 54 -2.768 -13.794 -3.254 1.00 0.00 C ATOM 560 O ASP A 54 -2.058 -13.646 -4.241 1.00 0.00 O ATOM 561 CB ASP A 54 -1.952 -15.243 -1.367 1.00 0.00 C ATOM 562 CG ASP A 54 -1.207 -15.316 -0.032 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.044 -15.307 -0.035 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.863 -15.343 1.026 1.00 0.00 O ATOM 0 H ASP A 54 -3.245 -13.570 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.168 -13.292 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.929 -15.715 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.403 -15.810 -2.119 1.00 0.00 H new ATOM 569 N SER A 55 -4.102 -13.956 -3.313 1.00 0.00 N ATOM 570 CA SER A 55 -4.851 -14.060 -4.582 1.00 0.00 C ATOM 571 C SER A 55 -4.886 -12.704 -5.325 1.00 0.00 C ATOM 572 O SER A 55 -4.975 -12.669 -6.553 1.00 0.00 O ATOM 573 CB SER A 55 -6.283 -14.582 -4.303 1.00 0.00 C ATOM 574 OG SER A 55 -7.023 -14.788 -5.492 1.00 0.00 O ATOM 0 H SER A 55 -4.693 -14.019 -2.484 1.00 0.00 H new ATOM 0 HA SER A 55 -4.339 -14.770 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.224 -15.518 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.810 -13.869 -3.669 1.00 0.00 H new ATOM 0 HG SER A 55 -7.918 -15.118 -5.267 1.00 0.00 H new ATOM 580 N PHE A 56 -4.807 -11.589 -4.573 1.00 0.00 N ATOM 581 CA PHE A 56 -4.702 -10.230 -5.155 1.00 0.00 C ATOM 582 C PHE A 56 -3.345 -10.060 -5.858 1.00 0.00 C ATOM 583 O PHE A 56 -3.260 -9.551 -6.980 1.00 0.00 O ATOM 584 CB PHE A 56 -4.869 -9.159 -4.038 1.00 0.00 C ATOM 585 CG PHE A 56 -4.601 -7.715 -4.480 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.319 -7.134 -5.531 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.625 -6.938 -3.850 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.066 -5.836 -5.931 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.378 -5.642 -4.254 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.095 -5.092 -5.295 1.00 0.00 C ATOM 0 H PHE A 56 -4.814 -11.600 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.495 -10.097 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.884 -9.221 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.194 -9.403 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.081 -7.708 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.055 -7.358 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.630 -5.403 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.621 -5.057 -3.753 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.896 -4.079 -5.612 1.00 0.00 H new ATOM 600 N LEU A 57 -2.296 -10.489 -5.159 1.00 0.00 N ATOM 601 CA LEU A 57 -0.913 -10.335 -5.616 1.00 0.00 C ATOM 602 C LEU A 57 -0.636 -11.252 -6.819 1.00 0.00 C ATOM 603 O LEU A 57 -0.120 -10.807 -7.839 1.00 0.00 O ATOM 604 CB LEU A 57 0.044 -10.610 -4.433 1.00 0.00 C ATOM 605 CG LEU A 57 -0.229 -9.747 -3.159 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.762 -10.080 -2.039 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.232 -8.238 -3.489 1.00 0.00 C ATOM 0 H LEU A 57 -2.380 -10.955 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.744 -9.314 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.027 -11.664 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.068 -10.433 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.226 -9.999 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.546 -9.463 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.668 -11.132 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.778 -9.882 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.425 -7.667 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.737 -7.953 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.011 -8.027 -4.222 1.00 0.00 H new ATOM 619 N ALA A 58 -1.095 -12.505 -6.703 1.00 0.00 N ATOM 620 CA ALA A 58 -0.898 -13.594 -7.692 1.00 0.00 C ATOM 621 C ALA A 58 -1.370 -13.223 -9.115 1.00 0.00 C ATOM 622 O ALA A 58 -0.876 -13.803 -10.091 1.00 0.00 O ATOM 623 CB ALA A 58 -1.611 -14.873 -7.211 1.00 0.00 C ATOM 0 H ALA A 58 -1.634 -12.808 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 58 0.176 -13.766 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.463 -15.669 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.198 -15.180 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.677 -14.676 -7.101 1.00 0.00 H new ATOM 629 N GLU A 59 -2.319 -12.258 -9.219 1.00 0.00 N ATOM 630 CA GLU A 59 -2.882 -11.800 -10.511 1.00 0.00 C ATOM 631 C GLU A 59 -1.770 -11.356 -11.482 1.00 0.00 C ATOM 632 O GLU A 59 -1.733 -11.804 -12.632 1.00 0.00 O ATOM 633 CB GLU A 59 -3.868 -10.624 -10.282 1.00 0.00 C ATOM 634 CG GLU A 59 -5.095 -10.969 -9.429 1.00 0.00 C ATOM 635 CD GLU A 59 -6.045 -9.772 -9.261 1.00 0.00 C ATOM 636 OE1 GLU A 59 -5.636 -8.771 -8.633 1.00 0.00 O ATOM 637 OE2 GLU A 59 -7.203 -9.817 -9.752 1.00 0.00 O ATOM 0 H GLU A 59 -2.713 -11.778 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.414 -12.641 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.330 -9.805 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.208 -10.260 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.635 -11.796 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.768 -11.311 -8.447 1.00 0.00 H new ATOM 644 N HIS A 60 -0.868 -10.466 -11.006 1.00 0.00 N ATOM 645 CA HIS A 60 0.310 -10.017 -11.794 1.00 0.00 C ATOM 646 C HIS A 60 1.629 -10.382 -11.084 1.00 0.00 C ATOM 647 O HIS A 60 2.704 -9.900 -11.476 1.00 0.00 O ATOM 648 CB HIS A 60 0.218 -8.492 -12.084 1.00 0.00 C ATOM 649 CG HIS A 60 1.010 -8.060 -13.299 1.00 0.00 C ATOM 650 ND1 HIS A 60 0.552 -8.246 -14.588 1.00 0.00 N ATOM 651 CD2 HIS A 60 2.249 -7.521 -13.427 1.00 0.00 C ATOM 652 CE1 HIS A 60 1.472 -7.852 -15.444 1.00 0.00 C ATOM 653 NE2 HIS A 60 2.512 -7.409 -14.770 1.00 0.00 N ATOM 0 H HIS A 60 -0.931 -10.043 -10.080 1.00 0.00 H new ATOM 0 HA HIS A 60 0.305 -10.542 -12.749 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.828 -8.220 -12.226 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.575 -7.942 -11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.907 -7.233 -12.621 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.387 -7.887 -16.520 1.00 0.00 H new ATOM 0 HE2 HIS A 60 3.372 -7.043 -15.178 1.00 0.00 H new ATOM 662 N LYS A 61 1.542 -11.263 -10.070 1.00 0.00 N ATOM 663 CA LYS A 61 2.679 -11.673 -9.220 1.00 0.00 C ATOM 664 C LYS A 61 3.342 -10.449 -8.545 1.00 0.00 C ATOM 665 O LYS A 61 4.491 -10.119 -8.831 1.00 0.00 O ATOM 666 CB LYS A 61 3.706 -12.542 -10.013 1.00 0.00 C ATOM 667 CG LYS A 61 3.116 -13.852 -10.585 1.00 0.00 C ATOM 668 CD LYS A 61 4.156 -14.673 -11.386 1.00 0.00 C ATOM 669 CE LYS A 61 3.595 -16.008 -11.908 1.00 0.00 C ATOM 670 NZ LYS A 61 2.454 -15.817 -12.841 1.00 0.00 N ATOM 0 H LYS A 61 0.666 -11.718 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 61 2.288 -12.305 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.110 -11.949 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.541 -12.788 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.730 -14.460 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.271 -13.614 -11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.509 -14.079 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.020 -14.871 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.387 -16.558 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.273 -16.618 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.166 -16.737 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.655 -15.392 -12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.742 -15.188 -13.617 1.00 0.00 H new ATOM 684 N LEU A 62 2.576 -9.785 -7.656 1.00 0.00 N ATOM 685 CA LEU A 62 3.047 -8.635 -6.857 1.00 0.00 C ATOM 686 C LEU A 62 3.731 -9.132 -5.568 1.00 0.00 C ATOM 687 O LEU A 62 4.334 -8.353 -4.827 1.00 0.00 O ATOM 688 CB LEU A 62 1.864 -7.683 -6.519 1.00 0.00 C ATOM 689 CG LEU A 62 1.052 -7.122 -7.735 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.107 -6.211 -7.263 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.976 -6.387 -8.739 1.00 0.00 C ATOM 0 H LEU A 62 1.604 -10.034 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 62 3.775 -8.075 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.174 -8.215 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.256 -6.839 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 62 0.611 -7.971 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.652 -5.837 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.784 -6.783 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.297 -5.371 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.382 -6.010 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.468 -5.554 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.729 -7.080 -9.115 1.00 0.00 H new ATOM 703 N LEU A 63 3.598 -10.447 -5.314 1.00 0.00 N ATOM 704 CA LEU A 63 4.218 -11.137 -4.175 1.00 0.00 C ATOM 705 C LEU A 63 5.701 -11.457 -4.469 1.00 0.00 C ATOM 706 O LEU A 63 6.108 -11.567 -5.638 1.00 0.00 O ATOM 707 CB LEU A 63 3.377 -12.410 -3.809 1.00 0.00 C ATOM 708 CG LEU A 63 2.834 -13.294 -5.001 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.940 -14.122 -5.686 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.663 -14.197 -4.542 1.00 0.00 C ATOM 0 H LEU A 63 3.047 -11.068 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 63 4.216 -10.483 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.990 -13.046 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.523 -12.089 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 63 2.457 -12.600 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.507 -14.708 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.699 -13.452 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.397 -14.792 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.311 -14.793 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.004 -14.859 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.848 -13.575 -4.172 1.00 0.00 H new ATOM 722 N GLY A 64 6.486 -11.613 -3.394 1.00 0.00 N ATOM 723 CA GLY A 64 7.906 -11.954 -3.487 1.00 0.00 C ATOM 724 C GLY A 64 8.802 -10.726 -3.563 1.00 0.00 C ATOM 725 O GLY A 64 8.455 -9.667 -3.021 1.00 0.00 O ATOM 0 H GLY A 64 6.151 -11.506 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.189 -12.552 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.070 -12.573 -4.369 1.00 0.00 H new ATOM 729 N ASN A 65 9.952 -10.873 -4.253 1.00 0.00 N ATOM 730 CA ASN A 65 10.978 -9.815 -4.383 1.00 0.00 C ATOM 731 C ASN A 65 10.420 -8.622 -5.168 1.00 0.00 C ATOM 732 O ASN A 65 10.150 -8.749 -6.360 1.00 0.00 O ATOM 733 CB ASN A 65 12.242 -10.373 -5.098 1.00 0.00 C ATOM 734 CG ASN A 65 12.929 -11.518 -4.349 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.881 -11.599 -3.119 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.585 -12.407 -5.083 1.00 0.00 N ATOM 0 H ASN A 65 10.197 -11.735 -4.740 1.00 0.00 H new ATOM 0 HA ASN A 65 11.255 -9.480 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.960 -10.721 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.957 -9.562 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.068 -13.184 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.607 -12.313 -6.098 1.00 0.00 H new ATOM 743 N ILE A 66 10.273 -7.476 -4.480 1.00 0.00 N ATOM 744 CA ILE A 66 9.683 -6.241 -5.047 1.00 0.00 C ATOM 745 C ILE A 66 10.491 -5.765 -6.263 1.00 0.00 C ATOM 746 O ILE A 66 9.916 -5.356 -7.268 1.00 0.00 O ATOM 747 CB ILE A 66 9.622 -5.087 -3.977 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.791 -5.530 -2.734 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.052 -3.784 -4.584 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.745 -4.509 -1.601 1.00 0.00 C ATOM 0 H ILE A 66 10.561 -7.376 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 66 8.666 -6.481 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 66 10.642 -4.881 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.771 -5.744 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.207 -6.461 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.024 -3.008 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.687 -3.458 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.043 -3.966 -4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.146 -4.903 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.757 -4.311 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.299 -3.583 -1.964 1.00 0.00 H new ATOM 762 N LYS A 67 11.825 -5.815 -6.132 1.00 0.00 N ATOM 763 CA LYS A 67 12.773 -5.451 -7.199 1.00 0.00 C ATOM 764 C LYS A 67 12.506 -6.264 -8.485 1.00 0.00 C ATOM 765 O LYS A 67 12.432 -5.695 -9.582 1.00 0.00 O ATOM 766 CB LYS A 67 14.213 -5.696 -6.687 1.00 0.00 C ATOM 767 CG LYS A 67 14.641 -4.816 -5.483 1.00 0.00 C ATOM 768 CD LYS A 67 15.753 -5.463 -4.611 1.00 0.00 C ATOM 769 CE LYS A 67 16.952 -5.972 -5.426 1.00 0.00 C ATOM 770 NZ LYS A 67 17.638 -4.884 -6.175 1.00 0.00 N ATOM 0 H LYS A 67 12.283 -6.113 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 67 12.644 -4.398 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.308 -6.744 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.908 -5.524 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.994 -3.853 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.769 -4.618 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.103 -4.732 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.326 -6.294 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.665 -6.452 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.612 -6.733 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.439 -5.280 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.968 -4.441 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.988 -4.169 -5.506 1.00 0.00 H new ATOM 784 N ASN A 68 12.349 -7.593 -8.320 1.00 0.00 N ATOM 785 CA ASN A 68 12.004 -8.519 -9.420 1.00 0.00 C ATOM 786 C ASN A 68 10.634 -8.175 -10.033 1.00 0.00 C ATOM 787 O ASN A 68 10.464 -8.204 -11.248 1.00 0.00 O ATOM 788 CB ASN A 68 12.009 -9.988 -8.915 1.00 0.00 C ATOM 789 CG ASN A 68 11.500 -10.997 -9.960 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.266 -11.497 -10.780 1.00 0.00 O ATOM 791 ND2 ASN A 68 10.203 -11.301 -9.930 1.00 0.00 N ATOM 0 H ASN A 68 12.458 -8.056 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 68 12.760 -8.408 -10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.023 -10.260 -8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.390 -10.059 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.820 -11.967 -10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.594 -10.868 -9.236 1.00 0.00 H new ATOM 798 N VAL A 69 9.664 -7.874 -9.166 1.00 0.00 N ATOM 799 CA VAL A 69 8.297 -7.545 -9.588 1.00 0.00 C ATOM 800 C VAL A 69 8.259 -6.176 -10.322 1.00 0.00 C ATOM 801 O VAL A 69 7.483 -5.999 -11.243 1.00 0.00 O ATOM 802 CB VAL A 69 7.310 -7.550 -8.355 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.876 -7.151 -8.771 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.294 -8.934 -7.652 1.00 0.00 C ATOM 0 H VAL A 69 9.801 -7.851 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 69 7.966 -8.313 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 69 7.680 -6.806 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.226 -7.166 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.887 -6.148 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.503 -7.857 -9.513 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.605 -8.905 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.970 -9.697 -8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.296 -9.172 -7.295 1.00 0.00 H new ATOM 814 N ALA A 70 9.172 -5.250 -9.959 1.00 0.00 N ATOM 815 CA ALA A 70 9.186 -3.849 -10.472 1.00 0.00 C ATOM 816 C ALA A 70 9.483 -3.726 -11.992 1.00 0.00 C ATOM 817 O ALA A 70 9.342 -2.633 -12.558 1.00 0.00 O ATOM 818 CB ALA A 70 10.179 -3.016 -9.642 1.00 0.00 C ATOM 0 H ALA A 70 9.926 -5.446 -9.300 1.00 0.00 H new ATOM 0 HA ALA A 70 8.175 -3.459 -10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.193 -1.991 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.872 -3.019 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.177 -3.447 -9.728 1.00 0.00 H new ATOM 824 N LYS A 71 9.858 -4.840 -12.652 1.00 0.00 N ATOM 825 CA LYS A 71 10.139 -4.857 -14.108 1.00 0.00 C ATOM 826 C LYS A 71 8.874 -5.210 -14.920 1.00 0.00 C ATOM 827 O LYS A 71 8.766 -4.847 -16.096 1.00 0.00 O ATOM 828 CB LYS A 71 11.270 -5.870 -14.428 1.00 0.00 C ATOM 829 CG LYS A 71 10.893 -7.347 -14.180 1.00 0.00 C ATOM 830 CD LYS A 71 12.048 -8.334 -14.454 1.00 0.00 C ATOM 831 CE LYS A 71 11.643 -9.801 -14.189 1.00 0.00 C ATOM 832 NZ LYS A 71 12.737 -10.752 -14.514 1.00 0.00 N ATOM 0 H LYS A 71 9.975 -5.747 -12.199 1.00 0.00 H new ATOM 0 HA LYS A 71 10.461 -3.856 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.562 -5.753 -15.472 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.143 -5.624 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.566 -7.461 -13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.045 -7.608 -14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.373 -8.231 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.900 -8.076 -13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.363 -9.916 -13.142 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.762 -10.046 -14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.421 -11.724 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.987 -10.663 -15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.570 -10.536 -13.929 1.00 0.00 H new ATOM 846 N THR A 72 7.919 -5.918 -14.280 1.00 0.00 N ATOM 847 CA THR A 72 6.687 -6.400 -14.931 1.00 0.00 C ATOM 848 C THR A 72 5.454 -5.670 -14.383 1.00 0.00 C ATOM 849 O THR A 72 4.460 -5.495 -15.100 1.00 0.00 O ATOM 850 CB THR A 72 6.524 -7.954 -14.760 1.00 0.00 C ATOM 851 OG1 THR A 72 5.299 -8.392 -15.369 1.00 0.00 O ATOM 852 CG2 THR A 72 6.545 -8.408 -13.283 1.00 0.00 C ATOM 0 H THR A 72 7.983 -6.171 -13.294 1.00 0.00 H new ATOM 0 HA THR A 72 6.771 -6.182 -15.996 1.00 0.00 H new ATOM 0 HB THR A 72 7.383 -8.409 -15.254 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.207 -9.361 -15.258 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.428 -9.491 -13.233 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.494 -8.124 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.727 -7.930 -12.744 1.00 0.00 H new ATOM 860 N ALA A 73 5.537 -5.212 -13.122 1.00 0.00 N ATOM 861 CA ALA A 73 4.464 -4.464 -12.455 1.00 0.00 C ATOM 862 C ALA A 73 4.415 -3.064 -13.039 1.00 0.00 C ATOM 863 O ALA A 73 5.085 -2.130 -12.565 1.00 0.00 O ATOM 864 CB ALA A 73 4.642 -4.432 -10.935 1.00 0.00 C ATOM 0 H ALA A 73 6.359 -5.353 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 73 3.515 -4.969 -12.634 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.825 -3.868 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.637 -5.450 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.591 -3.955 -10.690 1.00 0.00 H new ATOM 870 N ASN A 74 3.688 -2.976 -14.144 1.00 0.00 N ATOM 871 CA ASN A 74 3.482 -1.742 -14.874 1.00 0.00 C ATOM 872 C ASN A 74 2.507 -0.858 -14.094 1.00 0.00 C ATOM 873 O ASN A 74 1.558 -1.357 -13.473 1.00 0.00 O ATOM 874 CB ASN A 74 2.972 -2.045 -16.306 1.00 0.00 C ATOM 875 CG ASN A 74 1.614 -2.744 -16.346 1.00 0.00 C ATOM 876 OD1 ASN A 74 0.573 -2.101 -16.456 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.622 -4.065 -16.245 1.00 0.00 N ATOM 0 H ASN A 74 3.218 -3.778 -14.563 1.00 0.00 H new ATOM 0 HA ASN A 74 4.425 -1.205 -14.977 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.905 -1.110 -16.862 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.705 -2.668 -16.818 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.743 -4.583 -16.257 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.507 -4.564 -16.155 1.00 0.00 H new ATOM 884 N LYS A 75 2.768 0.441 -14.132 1.00 0.00 N ATOM 885 CA LYS A 75 2.041 1.453 -13.364 1.00 0.00 C ATOM 886 C LYS A 75 0.548 1.472 -13.732 1.00 0.00 C ATOM 887 O LYS A 75 -0.306 1.688 -12.866 1.00 0.00 O ATOM 888 CB LYS A 75 2.707 2.819 -13.618 1.00 0.00 C ATOM 889 CG LYS A 75 2.035 4.004 -12.911 1.00 0.00 C ATOM 890 CD LYS A 75 2.815 5.312 -13.109 1.00 0.00 C ATOM 891 CE LYS A 75 4.205 5.300 -12.443 1.00 0.00 C ATOM 892 NZ LYS A 75 4.852 6.628 -12.529 1.00 0.00 N ATOM 0 H LYS A 75 3.509 0.835 -14.711 1.00 0.00 H new ATOM 0 HA LYS A 75 2.089 1.216 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.747 2.765 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.713 3.010 -14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.021 4.126 -13.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.951 3.790 -11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.933 5.499 -14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.233 6.139 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.108 5.007 -11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.836 4.553 -12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.739 6.618 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.058 6.850 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.215 7.351 -12.138 1.00 0.00 H new ATOM 906 N ASP A 76 0.252 1.200 -15.013 1.00 0.00 N ATOM 907 CA ASP A 76 -1.123 1.130 -15.535 1.00 0.00 C ATOM 908 C ASP A 76 -1.953 0.074 -14.778 1.00 0.00 C ATOM 909 O ASP A 76 -3.126 0.301 -14.459 1.00 0.00 O ATOM 910 CB ASP A 76 -1.089 0.808 -17.048 1.00 0.00 C ATOM 911 CG ASP A 76 -2.484 0.786 -17.693 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.022 1.870 -18.003 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.048 -0.310 -17.897 1.00 0.00 O ATOM 0 H ASP A 76 0.965 1.021 -15.721 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.601 2.098 -15.383 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.472 1.549 -17.557 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.612 -0.161 -17.196 1.00 0.00 H new ATOM 918 N HIS A 77 -1.305 -1.065 -14.475 1.00 0.00 N ATOM 919 CA HIS A 77 -1.898 -2.153 -13.689 1.00 0.00 C ATOM 920 C HIS A 77 -2.036 -1.734 -12.225 1.00 0.00 C ATOM 921 O HIS A 77 -3.041 -2.019 -11.609 1.00 0.00 O ATOM 922 CB HIS A 77 -1.034 -3.441 -13.787 1.00 0.00 C ATOM 923 CG HIS A 77 -1.546 -4.598 -12.956 1.00 0.00 C ATOM 924 ND1 HIS A 77 -2.501 -5.481 -13.408 1.00 0.00 N ATOM 925 CD2 HIS A 77 -1.266 -4.982 -11.680 1.00 0.00 C ATOM 926 CE1 HIS A 77 -2.788 -6.346 -12.454 1.00 0.00 C ATOM 927 NE2 HIS A 77 -2.056 -6.066 -11.395 1.00 0.00 N ATOM 0 H HIS A 77 -0.348 -1.254 -14.773 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.886 -2.365 -14.097 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.984 -3.752 -14.830 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.016 -3.207 -13.475 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.553 -4.518 -11.015 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.505 -7.151 -12.529 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.074 -6.572 -10.509 1.00 0.00 H new ATOM 936 N LEU A 78 -0.999 -1.071 -11.687 1.00 0.00 N ATOM 937 CA LEU A 78 -0.888 -0.767 -10.240 1.00 0.00 C ATOM 938 C LEU A 78 -1.945 0.240 -9.753 1.00 0.00 C ATOM 939 O LEU A 78 -2.368 0.180 -8.597 1.00 0.00 O ATOM 940 CB LEU A 78 0.525 -0.248 -9.915 1.00 0.00 C ATOM 941 CG LEU A 78 1.689 -1.253 -10.169 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.041 -0.592 -9.885 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.519 -2.547 -9.341 1.00 0.00 C ATOM 0 H LEU A 78 -0.212 -0.728 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.073 -1.700 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.708 0.649 -10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.550 0.051 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 78 1.658 -1.538 -11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.842 -1.309 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.169 0.270 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.076 -0.266 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.350 -3.222 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.505 -2.300 -8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.582 -3.033 -9.613 1.00 0.00 H new ATOM 955 N VAL A 79 -2.356 1.163 -10.643 1.00 0.00 N ATOM 956 CA VAL A 79 -3.445 2.119 -10.376 1.00 0.00 C ATOM 957 C VAL A 79 -4.800 1.376 -10.373 1.00 0.00 C ATOM 958 O VAL A 79 -5.617 1.549 -9.465 1.00 0.00 O ATOM 959 CB VAL A 79 -3.473 3.282 -11.441 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.605 4.291 -11.131 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.101 4.002 -11.519 1.00 0.00 C ATOM 0 H VAL A 79 -1.941 1.266 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.267 2.568 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.674 2.835 -12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.602 5.083 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.566 3.777 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.445 4.725 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.150 4.799 -12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.857 4.427 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.330 3.286 -11.805 1.00 0.00 H new ATOM 971 N THR A 80 -4.995 0.528 -11.396 1.00 0.00 N ATOM 972 CA THR A 80 -6.195 -0.322 -11.529 1.00 0.00 C ATOM 973 C THR A 80 -6.283 -1.339 -10.367 1.00 0.00 C ATOM 974 O THR A 80 -7.372 -1.646 -9.890 1.00 0.00 O ATOM 975 CB THR A 80 -6.178 -1.057 -12.909 1.00 0.00 C ATOM 976 OG1 THR A 80 -6.016 -0.086 -13.957 1.00 0.00 O ATOM 977 CG2 THR A 80 -7.460 -1.879 -13.175 1.00 0.00 C ATOM 0 H THR A 80 -4.325 0.411 -12.156 1.00 0.00 H new ATOM 0 HA THR A 80 -7.079 0.314 -11.481 1.00 0.00 H new ATOM 0 HB THR A 80 -5.345 -1.760 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.062 0.040 -14.142 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.386 -2.364 -14.148 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.574 -2.636 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.326 -1.217 -13.165 1.00 0.00 H new ATOM 985 N ALA A 81 -5.112 -1.788 -9.872 1.00 0.00 N ATOM 986 CA ALA A 81 -4.997 -2.751 -8.763 1.00 0.00 C ATOM 987 C ALA A 81 -5.308 -2.069 -7.433 1.00 0.00 C ATOM 988 O ALA A 81 -5.917 -2.667 -6.553 1.00 0.00 O ATOM 989 CB ALA A 81 -3.589 -3.379 -8.737 1.00 0.00 C ATOM 0 H ALA A 81 -4.209 -1.487 -10.238 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.724 -3.549 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.522 -4.088 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.405 -3.899 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.843 -2.595 -8.604 1.00 0.00 H new ATOM 995 N TYR A 82 -4.861 -0.806 -7.322 1.00 0.00 N ATOM 996 CA TYR A 82 -5.159 0.086 -6.189 1.00 0.00 C ATOM 997 C TYR A 82 -6.680 0.200 -5.997 1.00 0.00 C ATOM 998 O TYR A 82 -7.189 -0.115 -4.931 1.00 0.00 O ATOM 999 CB TYR A 82 -4.503 1.469 -6.458 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.968 2.648 -5.584 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -4.392 2.904 -4.336 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.957 3.538 -6.039 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.790 3.991 -3.576 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -6.345 4.627 -5.291 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.765 4.849 -4.060 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.149 5.946 -3.323 1.00 0.00 O ATOM 0 H TYR A 82 -4.272 -0.369 -8.031 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.747 -0.319 -5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.425 1.362 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.681 1.731 -7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.625 2.244 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.423 3.363 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.342 4.170 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.099 5.303 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.412 6.590 -3.287 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.395 0.595 -7.068 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.864 0.783 -7.023 1.00 0.00 C ATOM 1018 C ASN A 83 -9.580 -0.555 -6.756 1.00 0.00 C ATOM 1019 O ASN A 83 -10.508 -0.620 -5.940 1.00 0.00 O ATOM 1020 CB ASN A 83 -9.392 1.428 -8.335 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.840 2.841 -8.571 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.280 3.793 -7.937 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.918 3.000 -9.509 1.00 0.00 N ATOM 0 H ASN A 83 -6.980 0.791 -7.979 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.083 1.464 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.124 0.793 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.481 1.470 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.558 3.931 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.568 2.191 -10.023 1.00 0.00 H new ATOM 1030 N HIS A 84 -9.093 -1.626 -7.419 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.661 -2.994 -7.319 1.00 0.00 C ATOM 1032 C HIS A 84 -9.440 -3.578 -5.904 1.00 0.00 C ATOM 1033 O HIS A 84 -10.232 -4.400 -5.444 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.012 -3.909 -8.399 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.726 -5.199 -8.685 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.184 -6.179 -9.481 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.950 -5.650 -8.324 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.038 -7.167 -9.608 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -11.119 -6.876 -8.912 1.00 0.00 N ATOM 0 H HIS A 84 -8.289 -1.568 -8.044 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.736 -2.944 -7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.938 -3.344 -9.328 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.994 -4.142 -8.085 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.660 -5.139 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.882 -8.066 -10.185 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.946 -7.467 -8.825 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.373 -3.116 -5.228 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.992 -3.563 -3.869 1.00 0.00 C ATOM 1050 C LEU A 85 -9.137 -3.268 -2.882 1.00 0.00 C ATOM 1051 O LEU A 85 -9.617 -4.157 -2.168 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.687 -2.796 -3.453 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.820 -3.304 -2.232 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.891 -2.340 -1.032 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -6.155 -4.753 -1.829 1.00 0.00 C ATOM 0 H LEU A 85 -7.741 -2.413 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.807 -4.637 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.034 -2.773 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.972 -1.766 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.785 -3.312 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.281 -2.729 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.517 -1.360 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.925 -2.248 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.531 -5.050 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.205 -4.818 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.967 -5.418 -2.672 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.560 -1.997 -2.895 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.642 -1.488 -2.036 1.00 0.00 C ATOM 1069 C PHE A 86 -12.028 -1.970 -2.526 1.00 0.00 C ATOM 1070 O PHE A 86 -12.962 -2.114 -1.729 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.599 0.055 -1.995 1.00 0.00 C ATOM 1072 CG PHE A 86 -9.211 0.645 -1.733 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.573 0.513 -0.497 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.547 1.345 -2.727 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -7.317 1.070 -0.280 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -7.307 1.897 -2.503 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.690 1.761 -1.283 1.00 0.00 C ATOM 0 H PHE A 86 -9.159 -1.286 -3.506 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.489 -1.881 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.971 0.441 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.281 0.404 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.061 -0.028 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.011 1.459 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.836 0.958 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.814 2.443 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.716 2.196 -1.116 1.00 0.00 H new ATOM 1087 N GLU A 87 -12.135 -2.215 -3.847 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.402 -2.566 -4.527 1.00 0.00 C ATOM 1089 C GLU A 87 -13.839 -4.005 -4.198 1.00 0.00 C ATOM 1090 O GLU A 87 -15.040 -4.309 -4.196 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.222 -2.331 -6.061 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.489 -2.454 -6.950 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.855 -3.891 -7.373 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.961 -4.616 -7.849 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.039 -4.281 -7.271 1.00 0.00 O ATOM 0 H GLU A 87 -11.337 -2.175 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.207 -1.926 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.804 -1.334 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.482 -3.042 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.334 -2.024 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.343 -1.854 -7.848 1.00 0.00 H new ATOM 1102 N THR A 88 -12.874 -4.881 -3.874 1.00 0.00 N ATOM 1103 CA THR A 88 -13.145 -6.284 -3.494 1.00 0.00 C ATOM 1104 C THR A 88 -12.707 -6.569 -2.040 1.00 0.00 C ATOM 1105 O THR A 88 -12.972 -7.661 -1.518 1.00 0.00 O ATOM 1106 CB THR A 88 -12.427 -7.273 -4.472 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.053 -6.891 -4.613 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.091 -7.321 -5.861 1.00 0.00 C ATOM 0 H THR A 88 -11.883 -4.640 -3.867 1.00 0.00 H new ATOM 0 HA THR A 88 -14.222 -6.438 -3.563 1.00 0.00 H new ATOM 0 HB THR A 88 -12.506 -8.271 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.000 -6.011 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.552 -8.022 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.126 -7.646 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.065 -6.329 -6.311 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.026 -5.574 -1.412 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.611 -5.617 0.015 1.00 0.00 C ATOM 1118 C LYS A 89 -10.678 -6.813 0.308 1.00 0.00 C ATOM 1119 O LYS A 89 -10.700 -7.366 1.403 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.867 -5.630 0.940 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.816 -4.416 0.756 1.00 0.00 C ATOM 1122 CD LYS A 89 -15.176 -4.611 1.478 1.00 0.00 C ATOM 1123 CE LYS A 89 -15.960 -5.824 0.932 1.00 0.00 C ATOM 1124 NZ LYS A 89 -17.227 -6.073 1.658 1.00 0.00 N ATOM 0 H LYS A 89 -11.748 -4.714 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.036 -4.715 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.429 -6.545 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.537 -5.663 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.331 -3.518 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.993 -4.255 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.002 -4.744 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.779 -3.710 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.179 -5.662 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.332 -6.713 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.707 -6.898 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.022 -6.257 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.843 -5.239 1.578 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.819 -7.156 -0.673 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.947 -8.364 -0.633 1.00 0.00 C ATOM 1140 C ARG A 90 -7.925 -8.346 0.514 1.00 0.00 C ATOM 1141 O ARG A 90 -7.330 -9.371 0.833 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.223 -8.514 -1.980 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.157 -8.914 -3.127 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.445 -8.915 -4.471 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.314 -9.371 -5.562 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.046 -9.220 -6.856 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.046 -8.445 -7.248 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -9.807 -9.807 -7.752 1.00 0.00 N ATOM 0 H ARG A 90 -9.705 -6.604 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.597 -9.219 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.735 -7.572 -2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.438 -9.264 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.565 -9.906 -2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.000 -8.224 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.087 -7.909 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.568 -9.560 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.186 -9.837 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.476 -7.959 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.846 -8.334 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.600 -10.376 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.605 -9.694 -8.745 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.723 -7.177 1.095 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.907 -6.997 2.300 1.00 0.00 C ATOM 1164 C PHE A 91 -7.597 -7.568 3.551 1.00 0.00 C ATOM 1165 O PHE A 91 -8.805 -7.829 3.559 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.578 -5.499 2.503 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.771 -4.547 2.374 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.615 -4.269 3.449 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.019 -3.903 1.171 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.663 -3.378 3.306 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.052 -3.015 1.029 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.879 -2.751 2.097 1.00 0.00 C ATOM 0 H PHE A 91 -8.124 -6.308 0.744 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.980 -7.552 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.136 -5.371 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.821 -5.208 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.449 -4.753 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.381 -4.107 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.314 -3.173 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.217 -2.523 0.082 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.696 -2.053 1.988 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.793 -7.783 4.591 1.00 0.00 N ATOM 1183 CA LYS A 92 -7.275 -8.062 5.943 1.00 0.00 C ATOM 1184 C LYS A 92 -6.787 -6.885 6.810 1.00 0.00 C ATOM 1185 O LYS A 92 -5.602 -6.877 7.185 1.00 0.00 O ATOM 1186 CB LYS A 92 -6.760 -9.465 6.419 1.00 0.00 C ATOM 1187 CG LYS A 92 -7.359 -10.037 7.739 1.00 0.00 C ATOM 1188 CD LYS A 92 -6.756 -9.421 9.028 1.00 0.00 C ATOM 1189 CE LYS A 92 -7.289 -10.082 10.306 1.00 0.00 C ATOM 1190 NZ LYS A 92 -6.938 -11.527 10.390 1.00 0.00 N ATOM 1191 OXT LYS A 92 -7.580 -5.951 7.064 1.00 0.00 O ATOM 0 H LYS A 92 -5.776 -7.768 4.518 1.00 0.00 H new ATOM 0 HA LYS A 92 -8.361 -8.129 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.953 -10.183 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.678 -9.404 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.436 -9.870 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.204 -11.116 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.671 -9.518 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.980 -8.355 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.886 -9.562 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.373 -9.972 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.169 -11.886 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.479 -12.058 9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.920 -11.648 10.213 1.00 0.00 H new