USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 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 30 THR OG1 : rot 108:sc= 0.733 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.111 X(o=0.62,f=0.87) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 1.34 (180deg=0.673) USER MOD Single : A 42 LYS NZ :NH3+ -118:sc= 0.171 (180deg=-0.0495) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0537 X(o=0.054,f=-0.43) USER MOD Single : A 51 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-2.9) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.482 K(o=0.48,f=-2.1) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 65 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc=-0.00221 X(o=-0.0022,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.7!) USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= 0.476 (180deg=-0.255) USER MOD Single : A 77 HIS : no HD1:sc= -0.607! C(o=-0.61!,f=-3.6!) USER MOD Single : A 80 THR OG1 : rot 73:sc= 0.962 USER MOD Single : A 82 TYR OH : rot -131:sc= 0.473 USER MOD Single : A 83 ASN : amide:sc= 0.359 X(o=0.36,f=-0.032) USER MOD Single : A 84 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 88 THR OG1 : rot 29:sc= -1.01 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= -0.897 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.701 4.359 1.285 1.00 0.00 N ATOM 96 CA ARG A 27 -4.674 4.637 0.271 1.00 0.00 C ATOM 97 C ARG A 27 -3.612 5.618 0.808 1.00 0.00 C ATOM 98 O ARG A 27 -3.930 6.549 1.556 1.00 0.00 O ATOM 99 CB ARG A 27 -5.297 5.183 -1.041 1.00 0.00 C ATOM 100 CG ARG A 27 -5.907 6.614 -0.991 1.00 0.00 C ATOM 101 CD ARG A 27 -7.211 6.698 -0.182 1.00 0.00 C ATOM 102 NE ARG A 27 -8.297 5.890 -0.779 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.609 6.014 -0.497 1.00 0.00 C ATOM 104 NH1 ARG A 27 -10.039 6.916 0.379 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.486 5.230 -1.107 1.00 0.00 N ATOM 0 HA ARG A 27 -4.186 3.690 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.527 5.170 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.078 4.492 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.176 7.297 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.098 6.955 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.026 6.357 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.529 7.739 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.031 5.180 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.372 7.528 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.036 6.996 0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.167 4.538 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.481 5.318 -0.898 1.00 0.00 H new ATOM 119 N ALA A 28 -2.351 5.363 0.445 1.00 0.00 N ATOM 120 CA ALA A 28 -1.207 6.210 0.828 1.00 0.00 C ATOM 121 C ALA A 28 -1.071 7.370 -0.174 1.00 0.00 C ATOM 122 O ALA A 28 -0.835 8.520 0.208 1.00 0.00 O ATOM 123 CB ALA A 28 0.084 5.370 0.889 1.00 0.00 C ATOM 0 H ALA A 28 -2.089 4.559 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.378 6.627 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.920 6.009 1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.033 4.576 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.279 4.931 -0.089 1.00 0.00 H new ATOM 129 N TRP A 29 -1.236 7.034 -1.468 1.00 0.00 N ATOM 130 CA TRP A 29 -1.192 7.988 -2.593 1.00 0.00 C ATOM 131 C TRP A 29 -2.506 7.890 -3.381 1.00 0.00 C ATOM 132 O TRP A 29 -3.153 6.832 -3.377 1.00 0.00 O ATOM 133 CB TRP A 29 0.016 7.669 -3.520 1.00 0.00 C ATOM 134 CG TRP A 29 1.323 7.525 -2.769 1.00 0.00 C ATOM 135 CD1 TRP A 29 2.114 8.526 -2.272 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.972 6.295 -2.417 1.00 0.00 C ATOM 137 NE1 TRP A 29 3.201 7.987 -1.634 1.00 0.00 N ATOM 138 CE2 TRP A 29 3.140 6.625 -1.713 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.664 4.944 -2.629 1.00 0.00 C ATOM 140 CZ2 TRP A 29 4.010 5.654 -1.225 1.00 0.00 C ATOM 141 CZ3 TRP A 29 2.530 3.984 -2.149 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.690 4.343 -1.450 1.00 0.00 C ATOM 0 H TRP A 29 -1.407 6.074 -1.766 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.071 9.001 -2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.186 6.747 -4.065 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.116 8.462 -4.261 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.912 9.583 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.939 8.519 -1.173 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.766 4.660 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.906 5.926 -0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.311 2.940 -2.314 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.346 3.568 -1.081 1.00 0.00 H new ATOM 153 N THR A 30 -2.896 8.977 -4.061 1.00 0.00 N ATOM 154 CA THR A 30 -4.147 9.031 -4.841 1.00 0.00 C ATOM 155 C THR A 30 -3.901 8.513 -6.275 1.00 0.00 C ATOM 156 O THR A 30 -2.749 8.337 -6.672 1.00 0.00 O ATOM 157 CB THR A 30 -4.713 10.479 -4.864 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.724 11.377 -5.380 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.148 10.952 -3.467 1.00 0.00 C ATOM 0 H THR A 30 -2.357 9.843 -4.088 1.00 0.00 H new ATOM 0 HA THR A 30 -4.887 8.388 -4.364 1.00 0.00 H new ATOM 0 HB THR A 30 -5.594 10.475 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.984 11.669 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.537 11.968 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.925 10.290 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.291 10.933 -2.793 1.00 0.00 H new ATOM 167 N VAL A 31 -4.991 8.319 -7.045 1.00 0.00 N ATOM 168 CA VAL A 31 -4.970 7.601 -8.345 1.00 0.00 C ATOM 169 C VAL A 31 -3.962 8.208 -9.365 1.00 0.00 C ATOM 170 O VAL A 31 -3.195 7.475 -10.011 1.00 0.00 O ATOM 171 CB VAL A 31 -6.423 7.516 -8.959 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.042 8.921 -9.205 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.457 6.630 -10.242 1.00 0.00 C ATOM 0 H VAL A 31 -5.918 8.656 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.617 6.591 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.051 7.027 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.041 8.810 -9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.106 9.461 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.414 9.479 -9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.473 6.597 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.792 7.053 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.130 5.620 -9.995 1.00 0.00 H new ATOM 183 N GLU A 32 -3.979 9.549 -9.499 1.00 0.00 N ATOM 184 CA GLU A 32 -3.070 10.294 -10.398 1.00 0.00 C ATOM 185 C GLU A 32 -1.647 10.389 -9.808 1.00 0.00 C ATOM 186 O GLU A 32 -0.686 10.459 -10.571 1.00 0.00 O ATOM 187 CB GLU A 32 -3.613 11.716 -10.771 1.00 0.00 C ATOM 188 CG GLU A 32 -3.725 12.737 -9.609 1.00 0.00 C ATOM 189 CD GLU A 32 -5.022 12.626 -8.787 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.135 11.719 -7.937 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.936 13.455 -8.978 1.00 0.00 O ATOM 0 H GLU A 32 -4.625 10.149 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.022 9.721 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.964 12.140 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.600 11.598 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.874 12.604 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.654 13.745 -10.019 1.00 0.00 H new ATOM 198 N GLN A 33 -1.511 10.401 -8.453 1.00 0.00 N ATOM 199 CA GLN A 33 -0.179 10.326 -7.787 1.00 0.00 C ATOM 200 C GLN A 33 0.521 8.993 -8.117 1.00 0.00 C ATOM 201 O GLN A 33 1.753 8.927 -8.161 1.00 0.00 O ATOM 202 CB GLN A 33 -0.269 10.515 -6.248 1.00 0.00 C ATOM 203 CG GLN A 33 -0.596 11.951 -5.793 1.00 0.00 C ATOM 204 CD GLN A 33 -0.457 12.140 -4.278 1.00 0.00 C ATOM 205 OE1 GLN A 33 0.614 12.483 -3.782 1.00 0.00 O ATOM 206 NE2 GLN A 33 -1.526 11.898 -3.529 1.00 0.00 N ATOM 0 H GLN A 33 -2.298 10.461 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 33 0.414 11.152 -8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.032 9.842 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.679 10.214 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.067 12.649 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.614 12.200 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.402 11.615 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.471 11.995 -2.515 1.00 0.00 H new ATOM 215 N LEU A 34 -0.280 7.948 -8.363 1.00 0.00 N ATOM 216 CA LEU A 34 0.232 6.639 -8.801 1.00 0.00 C ATOM 217 C LEU A 34 0.702 6.707 -10.259 1.00 0.00 C ATOM 218 O LEU A 34 1.708 6.113 -10.621 1.00 0.00 O ATOM 219 CB LEU A 34 -0.857 5.574 -8.675 1.00 0.00 C ATOM 220 CG LEU A 34 -1.511 5.432 -7.281 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.727 4.529 -7.387 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.518 4.933 -6.207 1.00 0.00 C ATOM 0 H LEU A 34 -1.295 7.983 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 34 1.075 6.374 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.640 5.796 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.429 4.611 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.828 6.421 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.191 4.427 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.444 4.964 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.421 3.547 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.030 4.851 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.130 3.956 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.308 5.639 -6.119 1.00 0.00 H new ATOM 234 N ARG A 35 -0.064 7.437 -11.094 1.00 0.00 N ATOM 235 CA ARG A 35 0.286 7.669 -12.511 1.00 0.00 C ATOM 236 C ARG A 35 1.480 8.636 -12.633 1.00 0.00 C ATOM 237 O ARG A 35 2.132 8.689 -13.680 1.00 0.00 O ATOM 238 CB ARG A 35 -0.927 8.230 -13.301 1.00 0.00 C ATOM 239 CG ARG A 35 -2.159 7.300 -13.332 1.00 0.00 C ATOM 240 CD ARG A 35 -3.271 7.825 -14.257 1.00 0.00 C ATOM 241 NE ARG A 35 -3.818 9.122 -13.803 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.794 10.282 -14.491 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.120 10.388 -15.628 1.00 0.00 N ATOM 244 NH2 ARG A 35 -4.437 11.332 -14.019 1.00 0.00 N ATOM 0 H ARG A 35 -0.937 7.880 -10.808 1.00 0.00 H new ATOM 0 HA ARG A 35 0.568 6.707 -12.940 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.219 9.184 -12.863 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.615 8.432 -14.326 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.853 6.308 -13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.553 7.190 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.878 7.934 -15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.076 7.091 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.255 9.141 -12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.609 9.585 -15.995 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.112 11.273 -16.136 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.948 11.264 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.423 12.212 -14.534 1.00 0.00 H new ATOM 258 N SER A 36 1.727 9.415 -11.564 1.00 0.00 N ATOM 259 CA SER A 36 2.823 10.386 -11.508 1.00 0.00 C ATOM 260 C SER A 36 4.177 9.667 -11.584 1.00 0.00 C ATOM 261 O SER A 36 4.471 8.784 -10.767 1.00 0.00 O ATOM 262 CB SER A 36 2.727 11.236 -10.219 1.00 0.00 C ATOM 263 OG SER A 36 3.772 12.190 -10.142 1.00 0.00 O ATOM 0 H SER A 36 1.166 9.384 -10.713 1.00 0.00 H new ATOM 0 HA SER A 36 2.740 11.055 -12.365 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.765 11.747 -10.191 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.766 10.582 -9.348 1.00 0.00 H new ATOM 0 HG SER A 36 3.680 12.710 -9.317 1.00 0.00 H new ATOM 269 N GLU A 37 4.977 10.060 -12.582 1.00 0.00 N ATOM 270 CA GLU A 37 6.324 9.525 -12.829 1.00 0.00 C ATOM 271 C GLU A 37 7.277 9.820 -11.647 1.00 0.00 C ATOM 272 O GLU A 37 8.318 9.173 -11.514 1.00 0.00 O ATOM 273 CB GLU A 37 6.884 10.149 -14.130 1.00 0.00 C ATOM 274 CG GLU A 37 5.993 9.959 -15.381 1.00 0.00 C ATOM 275 CD GLU A 37 6.511 10.741 -16.605 1.00 0.00 C ATOM 276 OE1 GLU A 37 7.349 10.200 -17.362 1.00 0.00 O ATOM 277 OE2 GLU A 37 6.098 11.911 -16.805 1.00 0.00 O ATOM 0 H GLU A 37 4.701 10.774 -13.256 1.00 0.00 H new ATOM 0 HA GLU A 37 6.254 8.442 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.034 11.216 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.864 9.716 -14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.942 8.899 -15.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.978 10.282 -15.151 1.00 0.00 H new ATOM 284 N GLN A 38 6.900 10.810 -10.814 1.00 0.00 N ATOM 285 CA GLN A 38 7.629 11.192 -9.594 1.00 0.00 C ATOM 286 C GLN A 38 7.665 10.016 -8.602 1.00 0.00 C ATOM 287 O GLN A 38 8.730 9.639 -8.104 1.00 0.00 O ATOM 288 CB GLN A 38 6.944 12.415 -8.929 1.00 0.00 C ATOM 289 CG GLN A 38 6.744 13.634 -9.854 1.00 0.00 C ATOM 290 CD GLN A 38 6.048 14.812 -9.158 1.00 0.00 C ATOM 291 OE1 GLN A 38 5.256 14.622 -8.230 1.00 0.00 O ATOM 292 NE2 GLN A 38 6.313 16.028 -9.614 1.00 0.00 N ATOM 0 H GLN A 38 6.066 11.375 -10.975 1.00 0.00 H new ATOM 0 HA GLN A 38 8.651 11.455 -9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.971 12.104 -8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.540 12.724 -8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.714 13.962 -10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.155 13.332 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.972 16.152 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.858 16.840 -9.197 1.00 0.00 H new ATOM 301 N LEU A 39 6.474 9.438 -8.347 1.00 0.00 N ATOM 302 CA LEU A 39 6.305 8.316 -7.409 1.00 0.00 C ATOM 303 C LEU A 39 6.887 7.021 -8.030 1.00 0.00 C ATOM 304 O LEU A 39 6.501 6.666 -9.149 1.00 0.00 O ATOM 305 CB LEU A 39 4.798 8.125 -7.073 1.00 0.00 C ATOM 306 CG LEU A 39 4.453 6.969 -6.074 1.00 0.00 C ATOM 307 CD1 LEU A 39 5.101 7.189 -4.688 1.00 0.00 C ATOM 308 CD2 LEU A 39 2.926 6.764 -5.966 1.00 0.00 C ATOM 0 H LEU A 39 5.604 9.738 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 39 6.842 8.536 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.418 9.059 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.260 7.946 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 39 4.882 6.052 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.835 6.364 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.185 7.233 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.740 8.125 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.716 5.955 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.460 7.683 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.523 6.509 -6.946 1.00 0.00 H new ATOM 320 N PRO A 40 7.859 6.330 -7.340 1.00 0.00 N ATOM 321 CA PRO A 40 8.408 5.021 -7.796 1.00 0.00 C ATOM 322 C PRO A 40 7.346 3.899 -7.873 1.00 0.00 C ATOM 323 O PRO A 40 6.386 3.878 -7.095 1.00 0.00 O ATOM 324 CB PRO A 40 9.496 4.696 -6.735 1.00 0.00 C ATOM 325 CG PRO A 40 9.845 6.026 -6.141 1.00 0.00 C ATOM 326 CD PRO A 40 8.548 6.790 -6.102 1.00 0.00 C ATOM 0 HA PRO A 40 8.793 5.082 -8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.120 4.009 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.366 4.223 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.266 5.913 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.590 6.544 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.969 6.560 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.713 7.867 -6.107 1.00 0.00 H new ATOM 334 N LYS A 41 7.563 2.965 -8.813 1.00 0.00 N ATOM 335 CA LYS A 41 6.688 1.798 -9.045 1.00 0.00 C ATOM 336 C LYS A 41 6.749 0.841 -7.843 1.00 0.00 C ATOM 337 O LYS A 41 5.722 0.354 -7.361 1.00 0.00 O ATOM 338 CB LYS A 41 7.162 1.046 -10.321 1.00 0.00 C ATOM 339 CG LYS A 41 7.351 1.941 -11.563 1.00 0.00 C ATOM 340 CD LYS A 41 7.843 1.161 -12.794 1.00 0.00 C ATOM 341 CE LYS A 41 6.856 0.076 -13.248 1.00 0.00 C ATOM 342 NZ LYS A 41 7.436 -0.786 -14.309 1.00 0.00 N ATOM 0 H LYS A 41 8.363 2.997 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 41 5.662 2.144 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.106 0.547 -10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.437 0.267 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.405 2.427 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.065 2.731 -11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.012 1.857 -13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.803 0.699 -12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.573 -0.539 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.945 0.545 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.860 -1.646 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.447 -0.267 -15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.408 -1.050 -14.049 1.00 0.00 H new ATOM 356 N LYS A 42 7.987 0.633 -7.369 1.00 0.00 N ATOM 357 CA LYS A 42 8.324 -0.229 -6.219 1.00 0.00 C ATOM 358 C LYS A 42 7.572 0.167 -4.933 1.00 0.00 C ATOM 359 O LYS A 42 7.193 -0.698 -4.144 1.00 0.00 O ATOM 360 CB LYS A 42 9.860 -0.191 -5.977 1.00 0.00 C ATOM 361 CG LYS A 42 10.466 1.233 -5.870 1.00 0.00 C ATOM 362 CD LYS A 42 11.956 1.229 -5.463 1.00 0.00 C ATOM 363 CE LYS A 42 12.167 0.831 -3.995 1.00 0.00 C ATOM 364 NZ LYS A 42 11.579 1.836 -3.066 1.00 0.00 N ATOM 0 H LYS A 42 8.808 1.072 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 42 8.006 -1.242 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.083 -0.735 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.355 -0.721 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.359 1.740 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.898 1.809 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.502 0.538 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.377 2.220 -5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.714 -0.143 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.234 0.729 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.332 2.250 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.115 2.587 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.879 1.373 -2.452 1.00 0.00 H new ATOM 378 N ASP A 43 7.384 1.479 -4.745 1.00 0.00 N ATOM 379 CA ASP A 43 6.683 2.038 -3.572 1.00 0.00 C ATOM 380 C ASP A 43 5.206 1.618 -3.553 1.00 0.00 C ATOM 381 O ASP A 43 4.671 1.275 -2.493 1.00 0.00 O ATOM 382 CB ASP A 43 6.812 3.591 -3.528 1.00 0.00 C ATOM 383 CG ASP A 43 8.187 4.075 -3.028 1.00 0.00 C ATOM 384 OD1 ASP A 43 9.233 3.629 -3.569 1.00 0.00 O ATOM 385 OD2 ASP A 43 8.242 4.867 -2.063 1.00 0.00 O ATOM 0 H ASP A 43 7.713 2.188 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 43 7.161 1.631 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.635 3.992 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.035 3.995 -2.879 1.00 0.00 H new ATOM 390 N ILE A 44 4.567 1.633 -4.732 1.00 0.00 N ATOM 391 CA ILE A 44 3.150 1.240 -4.883 1.00 0.00 C ATOM 392 C ILE A 44 2.987 -0.266 -4.609 1.00 0.00 C ATOM 393 O ILE A 44 2.111 -0.674 -3.852 1.00 0.00 O ATOM 394 CB ILE A 44 2.600 1.570 -6.319 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.879 3.057 -6.685 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.083 1.236 -6.441 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.403 3.457 -8.067 1.00 0.00 C ATOM 0 H ILE A 44 5.011 1.916 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 44 2.574 1.816 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 44 3.129 0.938 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.396 3.698 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.951 3.242 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.737 1.477 -7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.927 0.175 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.522 1.823 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.636 4.507 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.905 2.844 -8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.326 3.307 -8.138 1.00 0.00 H new ATOM 409 N ILE A 45 3.860 -1.067 -5.241 1.00 0.00 N ATOM 410 CA ILE A 45 3.863 -2.541 -5.108 1.00 0.00 C ATOM 411 C ILE A 45 4.072 -2.956 -3.644 1.00 0.00 C ATOM 412 O ILE A 45 3.348 -3.817 -3.144 1.00 0.00 O ATOM 413 CB ILE A 45 4.984 -3.178 -6.018 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.734 -2.778 -7.501 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.066 -4.721 -5.862 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.820 -3.171 -8.478 1.00 0.00 C ATOM 0 H ILE A 45 4.588 -0.714 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 45 2.892 -2.911 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 45 5.948 -2.786 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.797 -3.229 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.601 -1.697 -7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.852 -5.111 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.292 -4.970 -4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.111 -5.166 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.543 -2.844 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.758 -2.698 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.942 -4.254 -8.470 1.00 0.00 H new ATOM 428 N LYS A 46 5.024 -2.290 -2.968 1.00 0.00 N ATOM 429 CA LYS A 46 5.359 -2.561 -1.556 1.00 0.00 C ATOM 430 C LYS A 46 4.163 -2.245 -0.628 1.00 0.00 C ATOM 431 O LYS A 46 3.907 -2.961 0.347 1.00 0.00 O ATOM 432 CB LYS A 46 6.611 -1.755 -1.121 1.00 0.00 C ATOM 433 CG LYS A 46 7.078 -2.055 0.322 1.00 0.00 C ATOM 434 CD LYS A 46 8.310 -1.236 0.766 1.00 0.00 C ATOM 435 CE LYS A 46 8.715 -1.530 2.224 1.00 0.00 C ATOM 436 NZ LYS A 46 9.907 -0.749 2.650 1.00 0.00 N ATOM 0 H LYS A 46 5.585 -1.547 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 46 5.585 -3.624 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.428 -1.972 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.394 -0.690 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.255 -1.855 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.311 -3.117 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.149 -1.459 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.094 -0.173 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.879 -1.300 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.924 -2.594 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.140 -0.981 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.714 -0.986 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.702 0.268 2.573 1.00 0.00 H new ATOM 450 N PHE A 47 3.439 -1.164 -0.972 1.00 0.00 N ATOM 451 CA PHE A 47 2.214 -0.752 -0.257 1.00 0.00 C ATOM 452 C PHE A 47 1.119 -1.829 -0.390 1.00 0.00 C ATOM 453 O PHE A 47 0.618 -2.341 0.613 1.00 0.00 O ATOM 454 CB PHE A 47 1.714 0.615 -0.824 1.00 0.00 C ATOM 455 CG PHE A 47 0.387 1.120 -0.245 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.250 1.312 1.120 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.724 1.362 -1.055 1.00 0.00 C ATOM 458 CE1 PHE A 47 -0.943 1.749 1.670 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.923 1.793 -0.509 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.033 1.980 0.856 1.00 0.00 C ATOM 0 H PHE A 47 3.684 -0.552 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 47 2.442 -0.636 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.481 1.368 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.608 0.524 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.091 1.117 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.648 1.211 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.020 1.909 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.771 1.983 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.969 2.306 1.284 1.00 0.00 H new ATOM 470 N LEU A 48 0.814 -2.202 -1.637 1.00 0.00 N ATOM 471 CA LEU A 48 -0.305 -3.108 -1.970 1.00 0.00 C ATOM 472 C LEU A 48 -0.046 -4.543 -1.481 1.00 0.00 C ATOM 473 O LEU A 48 -0.991 -5.250 -1.138 1.00 0.00 O ATOM 474 CB LEU A 48 -0.578 -3.081 -3.496 1.00 0.00 C ATOM 475 CG LEU A 48 -0.939 -1.685 -4.094 1.00 0.00 C ATOM 476 CD1 LEU A 48 -1.093 -1.776 -5.629 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.197 -1.086 -3.423 1.00 0.00 C ATOM 0 H LEU A 48 1.336 -1.885 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.192 -2.750 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.305 -3.459 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.394 -3.771 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.116 -1.002 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.345 -0.793 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.156 -2.117 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.887 -2.481 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.417 -0.114 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.044 -1.755 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.017 -0.966 -2.355 1.00 0.00 H new ATOM 489 N GLN A 49 1.235 -4.957 -1.438 1.00 0.00 N ATOM 490 CA GLN A 49 1.611 -6.324 -1.004 1.00 0.00 C ATOM 491 C GLN A 49 1.655 -6.440 0.531 1.00 0.00 C ATOM 492 O GLN A 49 1.474 -7.533 1.076 1.00 0.00 O ATOM 493 CB GLN A 49 2.957 -6.776 -1.634 1.00 0.00 C ATOM 494 CG GLN A 49 4.201 -6.049 -1.098 1.00 0.00 C ATOM 495 CD GLN A 49 5.529 -6.525 -1.695 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.545 -6.523 -1.015 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.540 -6.935 -2.958 1.00 0.00 N ATOM 0 H GLN A 49 2.027 -4.369 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 49 0.834 -6.997 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.079 -7.846 -1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.904 -6.627 -2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.093 -4.982 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.240 -6.174 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.679 -6.927 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.410 -7.258 -3.382 1.00 0.00 H new ATOM 506 N GLU A 50 1.912 -5.301 1.206 1.00 0.00 N ATOM 507 CA GLU A 50 2.011 -5.225 2.680 1.00 0.00 C ATOM 508 C GLU A 50 0.684 -5.616 3.365 1.00 0.00 C ATOM 509 O GLU A 50 0.689 -6.282 4.395 1.00 0.00 O ATOM 510 CB GLU A 50 2.424 -3.792 3.111 1.00 0.00 C ATOM 511 CG GLU A 50 2.592 -3.574 4.635 1.00 0.00 C ATOM 512 CD GLU A 50 3.617 -4.515 5.293 1.00 0.00 C ATOM 513 OE1 GLU A 50 4.841 -4.276 5.163 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.216 -5.501 5.939 1.00 0.00 O ATOM 0 H GLU A 50 2.057 -4.404 0.743 1.00 0.00 H new ATOM 0 HA GLU A 50 2.772 -5.938 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.364 -3.541 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.675 -3.091 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.895 -2.542 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.625 -3.710 5.120 1.00 0.00 H new ATOM 521 N HIS A 51 -0.446 -5.200 2.773 1.00 0.00 N ATOM 522 CA HIS A 51 -1.791 -5.431 3.379 1.00 0.00 C ATOM 523 C HIS A 51 -2.731 -6.221 2.458 1.00 0.00 C ATOM 524 O HIS A 51 -3.663 -6.854 2.947 1.00 0.00 O ATOM 525 CB HIS A 51 -2.439 -4.091 3.791 1.00 0.00 C ATOM 526 CG HIS A 51 -2.397 -3.043 2.717 1.00 0.00 C ATOM 527 ND1 HIS A 51 -3.239 -3.039 1.625 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.599 -1.965 2.571 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.946 -2.008 0.861 1.00 0.00 C ATOM 530 NE2 HIS A 51 -1.961 -1.342 1.409 1.00 0.00 N ATOM 0 H HIS A 51 -0.469 -4.704 1.882 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.633 -6.042 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.477 -4.271 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.932 -3.710 4.678 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.818 -1.652 3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.438 -1.753 -0.066 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.534 -0.497 1.031 1.00 0.00 H new ATOM 539 N GLY A 52 -2.507 -6.151 1.132 1.00 0.00 N ATOM 540 CA GLY A 52 -3.250 -6.964 0.158 1.00 0.00 C ATOM 541 C GLY A 52 -3.041 -8.461 0.371 1.00 0.00 C ATOM 542 O GLY A 52 -1.921 -8.884 0.677 1.00 0.00 O ATOM 0 H GLY A 52 -1.812 -5.534 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.313 -6.734 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.935 -6.696 -0.851 1.00 0.00 H new ATOM 546 N SER A 53 -4.124 -9.246 0.228 1.00 0.00 N ATOM 547 CA SER A 53 -4.101 -10.714 0.420 1.00 0.00 C ATOM 548 C SER A 53 -3.193 -11.402 -0.611 1.00 0.00 C ATOM 549 O SER A 53 -3.023 -10.906 -1.719 1.00 0.00 O ATOM 550 CB SER A 53 -5.545 -11.260 0.319 1.00 0.00 C ATOM 551 OG SER A 53 -5.598 -12.677 0.368 1.00 0.00 O ATOM 0 H SER A 53 -5.043 -8.883 -0.024 1.00 0.00 H new ATOM 0 HA SER A 53 -3.693 -10.931 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.142 -10.850 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.995 -10.915 -0.612 1.00 0.00 H new ATOM 0 HG SER A 53 -6.530 -12.972 0.302 1.00 0.00 H new ATOM 557 N ASP A 54 -2.641 -12.558 -0.206 1.00 0.00 N ATOM 558 CA ASP A 54 -1.768 -13.406 -1.053 1.00 0.00 C ATOM 559 C ASP A 54 -2.456 -13.790 -2.375 1.00 0.00 C ATOM 560 O ASP A 54 -1.803 -13.855 -3.419 1.00 0.00 O ATOM 561 CB ASP A 54 -1.375 -14.682 -0.261 1.00 0.00 C ATOM 562 CG ASP A 54 -0.561 -15.718 -1.069 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.623 -15.454 -1.360 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.100 -16.803 -1.396 1.00 0.00 O ATOM 0 H ASP A 54 -2.787 -12.939 0.729 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.874 -12.836 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.795 -14.386 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.283 -15.160 0.106 1.00 0.00 H new ATOM 569 N SER A 55 -3.775 -14.035 -2.301 1.00 0.00 N ATOM 570 CA SER A 55 -4.605 -14.359 -3.474 1.00 0.00 C ATOM 571 C SER A 55 -4.698 -13.158 -4.439 1.00 0.00 C ATOM 572 O SER A 55 -4.561 -13.321 -5.650 1.00 0.00 O ATOM 573 CB SER A 55 -6.005 -14.787 -3.003 1.00 0.00 C ATOM 574 OG SER A 55 -5.918 -15.897 -2.124 1.00 0.00 O ATOM 0 H SER A 55 -4.297 -14.014 -1.425 1.00 0.00 H new ATOM 0 HA SER A 55 -4.140 -15.181 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.495 -13.954 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.621 -15.046 -3.864 1.00 0.00 H new ATOM 0 HG SER A 55 -6.817 -16.155 -1.833 1.00 0.00 H new ATOM 580 N PHE A 56 -4.873 -11.949 -3.865 1.00 0.00 N ATOM 581 CA PHE A 56 -4.867 -10.672 -4.618 1.00 0.00 C ATOM 582 C PHE A 56 -3.507 -10.469 -5.321 1.00 0.00 C ATOM 583 O PHE A 56 -3.449 -10.057 -6.488 1.00 0.00 O ATOM 584 CB PHE A 56 -5.195 -9.485 -3.644 1.00 0.00 C ATOM 585 CG PHE A 56 -4.823 -8.080 -4.150 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.531 -7.469 -5.182 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.747 -7.378 -3.596 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.179 -6.216 -5.647 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.397 -6.123 -4.059 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.113 -5.544 -5.086 1.00 0.00 C ATOM 0 H PHE A 56 -5.023 -11.828 -2.863 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.634 -10.702 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.263 -9.502 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.677 -9.660 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.370 -7.983 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.180 -7.824 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.740 -5.762 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.564 -5.597 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.839 -4.565 -5.451 1.00 0.00 H new ATOM 600 N LEU A 57 -2.429 -10.793 -4.596 1.00 0.00 N ATOM 601 CA LEU A 57 -1.051 -10.604 -5.071 1.00 0.00 C ATOM 602 C LEU A 57 -0.718 -11.585 -6.203 1.00 0.00 C ATOM 603 O LEU A 57 -0.011 -11.223 -7.135 1.00 0.00 O ATOM 604 CB LEU A 57 -0.044 -10.770 -3.905 1.00 0.00 C ATOM 605 CG LEU A 57 -0.226 -9.820 -2.688 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.901 -10.013 -1.652 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.361 -8.351 -3.141 1.00 0.00 C ATOM 0 H LEU A 57 -2.487 -11.195 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.969 -9.590 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.104 -11.798 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.962 -10.628 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.159 -10.085 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.745 -9.334 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.892 -11.042 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.863 -9.799 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.487 -7.711 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.537 -8.053 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.228 -8.250 -3.793 1.00 0.00 H new ATOM 619 N ALA A 58 -1.222 -12.828 -6.101 1.00 0.00 N ATOM 620 CA ALA A 58 -0.985 -13.888 -7.109 1.00 0.00 C ATOM 621 C ALA A 58 -1.676 -13.543 -8.440 1.00 0.00 C ATOM 622 O ALA A 58 -1.053 -13.594 -9.512 1.00 0.00 O ATOM 623 CB ALA A 58 -1.485 -15.246 -6.576 1.00 0.00 C ATOM 0 H ALA A 58 -1.805 -13.130 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 58 0.087 -13.956 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.306 -16.019 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.950 -15.497 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.553 -15.184 -6.367 1.00 0.00 H new ATOM 629 N GLU A 59 -2.966 -13.175 -8.340 1.00 0.00 N ATOM 630 CA GLU A 59 -3.794 -12.768 -9.493 1.00 0.00 C ATOM 631 C GLU A 59 -3.209 -11.535 -10.218 1.00 0.00 C ATOM 632 O GLU A 59 -3.370 -11.394 -11.432 1.00 0.00 O ATOM 633 CB GLU A 59 -5.244 -12.457 -9.025 1.00 0.00 C ATOM 634 CG GLU A 59 -5.998 -13.666 -8.442 1.00 0.00 C ATOM 635 CD GLU A 59 -7.407 -13.298 -7.958 1.00 0.00 C ATOM 636 OE1 GLU A 59 -7.550 -12.841 -6.800 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.377 -13.433 -8.742 1.00 0.00 O ATOM 0 H GLU A 59 -3.468 -13.151 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.802 -13.599 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.209 -11.669 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.809 -12.065 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.069 -14.446 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.428 -14.080 -7.611 1.00 0.00 H new ATOM 644 N HIS A 60 -2.547 -10.640 -9.463 1.00 0.00 N ATOM 645 CA HIS A 60 -2.031 -9.357 -10.003 1.00 0.00 C ATOM 646 C HIS A 60 -0.494 -9.260 -9.951 1.00 0.00 C ATOM 647 O HIS A 60 0.050 -8.168 -10.080 1.00 0.00 O ATOM 648 CB HIS A 60 -2.706 -8.182 -9.249 1.00 0.00 C ATOM 649 CG HIS A 60 -4.207 -8.223 -9.334 1.00 0.00 C ATOM 650 ND1 HIS A 60 -5.011 -8.467 -8.248 1.00 0.00 N ATOM 651 CD2 HIS A 60 -5.040 -8.105 -10.391 1.00 0.00 C ATOM 652 CE1 HIS A 60 -6.269 -8.501 -8.627 1.00 0.00 C ATOM 653 NE2 HIS A 60 -6.316 -8.285 -9.922 1.00 0.00 N ATOM 0 H HIS A 60 -2.353 -10.778 -8.471 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.288 -9.305 -11.061 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.405 -8.207 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.349 -7.238 -9.661 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.682 -8.601 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.755 -7.906 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.119 -8.676 -7.984 1.00 0.00 H new ATOM 662 N LYS A 61 0.185 -10.407 -9.726 1.00 0.00 N ATOM 663 CA LYS A 61 1.677 -10.526 -9.793 1.00 0.00 C ATOM 664 C LYS A 61 2.435 -9.559 -8.844 1.00 0.00 C ATOM 665 O LYS A 61 3.630 -9.338 -9.030 1.00 0.00 O ATOM 666 CB LYS A 61 2.187 -10.361 -11.266 1.00 0.00 C ATOM 667 CG LYS A 61 1.851 -11.554 -12.186 1.00 0.00 C ATOM 668 CD LYS A 61 2.399 -11.372 -13.624 1.00 0.00 C ATOM 669 CE LYS A 61 2.273 -12.642 -14.489 1.00 0.00 C ATOM 670 NZ LYS A 61 0.878 -13.147 -14.570 1.00 0.00 N ATOM 0 H LYS A 61 -0.279 -11.285 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 61 1.904 -11.532 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.753 -9.455 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.268 -10.220 -11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.264 -12.467 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.769 -11.683 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.864 -10.556 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.448 -11.079 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.636 -12.429 -15.494 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.914 -13.422 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.846 -13.981 -15.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.548 -13.410 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.262 -12.404 -14.957 1.00 0.00 H new ATOM 684 N LEU A 62 1.760 -9.048 -7.796 1.00 0.00 N ATOM 685 CA LEU A 62 2.339 -8.031 -6.886 1.00 0.00 C ATOM 686 C LEU A 62 3.206 -8.670 -5.786 1.00 0.00 C ATOM 687 O LEU A 62 3.908 -7.957 -5.063 1.00 0.00 O ATOM 688 CB LEU A 62 1.222 -7.162 -6.251 1.00 0.00 C ATOM 689 CG LEU A 62 0.352 -6.327 -7.241 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.737 -5.547 -6.488 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.222 -5.390 -8.116 1.00 0.00 C ATOM 0 H LEU A 62 0.808 -9.323 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 62 2.985 -7.392 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.561 -7.816 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.683 -6.477 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.144 -7.024 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.331 -4.972 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.383 -6.246 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.271 -4.869 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.581 -4.825 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.771 -4.700 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.927 -5.985 -8.696 1.00 0.00 H new ATOM 703 N LEU A 63 3.147 -10.016 -5.652 1.00 0.00 N ATOM 704 CA LEU A 63 4.003 -10.761 -4.700 1.00 0.00 C ATOM 705 C LEU A 63 5.399 -11.011 -5.289 1.00 0.00 C ATOM 706 O LEU A 63 5.670 -10.700 -6.457 1.00 0.00 O ATOM 707 CB LEU A 63 3.322 -12.091 -4.235 1.00 0.00 C ATOM 708 CG LEU A 63 2.721 -13.050 -5.328 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.790 -13.767 -6.185 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.762 -14.072 -4.677 1.00 0.00 C ATOM 0 H LEU A 63 2.515 -10.608 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 63 4.130 -10.141 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.058 -12.658 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.519 -11.829 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 63 2.165 -12.416 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.299 -14.410 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.397 -13.026 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.428 -14.371 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.354 -14.729 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.307 -14.666 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.948 -13.543 -4.182 1.00 0.00 H new ATOM 722 N GLY A 64 6.256 -11.612 -4.458 1.00 0.00 N ATOM 723 CA GLY A 64 7.613 -11.971 -4.851 1.00 0.00 C ATOM 724 C GLY A 64 8.601 -10.850 -4.562 1.00 0.00 C ATOM 725 O GLY A 64 8.425 -10.093 -3.598 1.00 0.00 O ATOM 0 H GLY A 64 6.025 -11.861 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.919 -12.871 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.633 -12.207 -5.915 1.00 0.00 H new ATOM 729 N ASN A 65 9.653 -10.752 -5.393 1.00 0.00 N ATOM 730 CA ASN A 65 10.655 -9.683 -5.305 1.00 0.00 C ATOM 731 C ASN A 65 10.061 -8.403 -5.903 1.00 0.00 C ATOM 732 O ASN A 65 9.690 -8.395 -7.081 1.00 0.00 O ATOM 733 CB ASN A 65 11.961 -10.078 -6.053 1.00 0.00 C ATOM 734 CG ASN A 65 12.573 -11.420 -5.617 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.213 -12.103 -6.422 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.389 -11.828 -4.364 1.00 0.00 N ATOM 0 H ASN A 65 9.830 -11.416 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 65 10.914 -9.518 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.752 -10.120 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.701 -9.292 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.780 -12.718 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.857 -11.251 -3.712 1.00 0.00 H new ATOM 743 N ILE A 66 9.968 -7.340 -5.080 1.00 0.00 N ATOM 744 CA ILE A 66 9.446 -6.020 -5.499 1.00 0.00 C ATOM 745 C ILE A 66 10.210 -5.516 -6.736 1.00 0.00 C ATOM 746 O ILE A 66 9.592 -5.096 -7.699 1.00 0.00 O ATOM 747 CB ILE A 66 9.567 -4.949 -4.350 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.866 -5.439 -3.052 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.005 -3.571 -4.792 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.047 -4.521 -1.853 1.00 0.00 C ATOM 0 H ILE A 66 10.254 -7.371 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 66 8.390 -6.152 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 66 10.628 -4.821 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.800 -5.551 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.249 -6.427 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.105 -2.858 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.562 -3.211 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.952 -3.675 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.525 -4.940 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.108 -4.427 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.637 -3.538 -2.083 1.00 0.00 H new ATOM 762 N LYS A 67 11.558 -5.583 -6.680 1.00 0.00 N ATOM 763 CA LYS A 67 12.457 -5.172 -7.788 1.00 0.00 C ATOM 764 C LYS A 67 12.112 -5.879 -9.124 1.00 0.00 C ATOM 765 O LYS A 67 12.157 -5.257 -10.194 1.00 0.00 O ATOM 766 CB LYS A 67 13.943 -5.440 -7.396 1.00 0.00 C ATOM 767 CG LYS A 67 14.261 -6.915 -7.042 1.00 0.00 C ATOM 768 CD LYS A 67 15.751 -7.154 -6.710 1.00 0.00 C ATOM 769 CE LYS A 67 16.052 -8.628 -6.375 1.00 0.00 C ATOM 770 NZ LYS A 67 17.483 -8.841 -6.053 1.00 0.00 N ATOM 0 H LYS A 67 12.059 -5.926 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 67 12.310 -4.104 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.584 -5.132 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.199 -4.812 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.653 -7.216 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.975 -7.552 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.363 -6.845 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.037 -6.527 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.439 -8.940 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.773 -9.257 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.644 -9.845 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.067 -8.567 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.744 -8.261 -5.230 1.00 0.00 H new ATOM 784 N ASN A 68 11.748 -7.173 -9.047 1.00 0.00 N ATOM 785 CA ASN A 68 11.379 -7.984 -10.226 1.00 0.00 C ATOM 786 C ASN A 68 10.049 -7.494 -10.829 1.00 0.00 C ATOM 787 O ASN A 68 9.929 -7.310 -12.039 1.00 0.00 O ATOM 788 CB ASN A 68 11.287 -9.490 -9.840 1.00 0.00 C ATOM 789 CG ASN A 68 10.790 -10.386 -10.983 1.00 0.00 C ATOM 790 OD1 ASN A 68 11.569 -10.841 -11.811 1.00 0.00 O ATOM 791 ND2 ASN A 68 9.491 -10.650 -11.023 1.00 0.00 N ATOM 0 H ASN A 68 11.701 -7.687 -8.167 1.00 0.00 H new ATOM 0 HA ASN A 68 12.156 -7.868 -10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.270 -9.835 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.617 -9.598 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.114 -11.248 -11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.868 -10.255 -10.318 1.00 0.00 H new ATOM 798 N VAL A 69 9.068 -7.259 -9.950 1.00 0.00 N ATOM 799 CA VAL A 69 7.711 -6.824 -10.344 1.00 0.00 C ATOM 800 C VAL A 69 7.727 -5.354 -10.832 1.00 0.00 C ATOM 801 O VAL A 69 6.978 -4.980 -11.729 1.00 0.00 O ATOM 802 CB VAL A 69 6.685 -7.002 -9.157 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.238 -6.636 -9.591 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.756 -8.445 -8.592 1.00 0.00 C ATOM 0 H VAL A 69 9.187 -7.364 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 69 7.385 -7.459 -11.168 1.00 0.00 H new ATOM 0 HB VAL A 69 6.965 -6.309 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.560 -6.771 -8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.208 -5.597 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.930 -7.284 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.043 -8.551 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.513 -9.157 -9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.763 -8.642 -8.223 1.00 0.00 H new ATOM 814 N ALA A 70 8.630 -4.546 -10.257 1.00 0.00 N ATOM 815 CA ALA A 70 8.750 -3.103 -10.559 1.00 0.00 C ATOM 816 C ALA A 70 9.369 -2.849 -11.939 1.00 0.00 C ATOM 817 O ALA A 70 9.338 -1.720 -12.421 1.00 0.00 O ATOM 818 CB ALA A 70 9.554 -2.394 -9.456 1.00 0.00 C ATOM 0 H ALA A 70 9.304 -4.873 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 70 7.743 -2.687 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.635 -1.333 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.046 -2.517 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.551 -2.830 -9.396 1.00 0.00 H new ATOM 824 N LYS A 71 9.990 -3.868 -12.550 1.00 0.00 N ATOM 825 CA LYS A 71 10.441 -3.797 -13.953 1.00 0.00 C ATOM 826 C LYS A 71 9.440 -4.495 -14.904 1.00 0.00 C ATOM 827 O LYS A 71 9.045 -3.909 -15.921 1.00 0.00 O ATOM 828 CB LYS A 71 11.890 -4.336 -14.104 1.00 0.00 C ATOM 829 CG LYS A 71 12.147 -5.758 -13.561 1.00 0.00 C ATOM 830 CD LYS A 71 13.629 -6.177 -13.672 1.00 0.00 C ATOM 831 CE LYS A 71 14.578 -5.255 -12.874 1.00 0.00 C ATOM 832 NZ LYS A 71 16.000 -5.622 -13.070 1.00 0.00 N ATOM 0 H LYS A 71 10.194 -4.757 -12.094 1.00 0.00 H new ATOM 0 HA LYS A 71 10.466 -2.748 -14.249 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.153 -4.320 -15.162 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.566 -3.648 -13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.837 -5.806 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.530 -6.470 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.739 -7.201 -13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.924 -6.173 -14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.424 -4.221 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.332 -5.311 -11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.604 -4.980 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.153 -6.600 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.243 -5.544 -14.078 1.00 0.00 H new ATOM 846 N THR A 72 9.018 -5.746 -14.563 1.00 0.00 N ATOM 847 CA THR A 72 8.213 -6.604 -15.473 1.00 0.00 C ATOM 848 C THR A 72 6.751 -6.112 -15.592 1.00 0.00 C ATOM 849 O THR A 72 6.138 -6.209 -16.661 1.00 0.00 O ATOM 850 CB THR A 72 8.248 -8.128 -15.049 1.00 0.00 C ATOM 851 OG1 THR A 72 7.735 -8.955 -16.112 1.00 0.00 O ATOM 852 CG2 THR A 72 7.454 -8.426 -13.755 1.00 0.00 C ATOM 0 H THR A 72 9.224 -6.180 -13.663 1.00 0.00 H new ATOM 0 HA THR A 72 8.680 -6.520 -16.455 1.00 0.00 H new ATOM 0 HB THR A 72 9.295 -8.359 -14.850 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.764 -9.895 -15.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.521 -9.489 -13.524 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.872 -7.848 -12.931 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.409 -8.151 -13.898 1.00 0.00 H new ATOM 860 N ALA A 73 6.209 -5.589 -14.481 1.00 0.00 N ATOM 861 CA ALA A 73 4.851 -5.023 -14.423 1.00 0.00 C ATOM 862 C ALA A 73 4.933 -3.494 -14.486 1.00 0.00 C ATOM 863 O ALA A 73 5.695 -2.884 -13.726 1.00 0.00 O ATOM 864 CB ALA A 73 4.123 -5.479 -13.149 1.00 0.00 C ATOM 0 H ALA A 73 6.704 -5.546 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 73 4.278 -5.384 -15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.122 -5.048 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.050 -6.567 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.680 -5.146 -12.273 1.00 0.00 H new ATOM 870 N ASN A 74 4.135 -2.881 -15.376 1.00 0.00 N ATOM 871 CA ASN A 74 4.178 -1.422 -15.646 1.00 0.00 C ATOM 872 C ASN A 74 3.351 -0.638 -14.608 1.00 0.00 C ATOM 873 O ASN A 74 2.644 -1.230 -13.789 1.00 0.00 O ATOM 874 CB ASN A 74 3.692 -1.086 -17.092 1.00 0.00 C ATOM 875 CG ASN A 74 2.202 -1.356 -17.346 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.619 -2.273 -16.782 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.570 -0.551 -18.197 1.00 0.00 N ATOM 0 H ASN A 74 3.439 -3.378 -15.932 1.00 0.00 H new ATOM 0 HA ASN A 74 5.220 -1.114 -15.562 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.897 -0.035 -17.295 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.279 -1.668 -17.803 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.579 -0.691 -18.391 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.077 0.206 -18.655 1.00 0.00 H new ATOM 884 N LYS A 75 3.428 0.702 -14.684 1.00 0.00 N ATOM 885 CA LYS A 75 2.804 1.615 -13.705 1.00 0.00 C ATOM 886 C LYS A 75 1.263 1.490 -13.728 1.00 0.00 C ATOM 887 O LYS A 75 0.616 1.490 -12.681 1.00 0.00 O ATOM 888 CB LYS A 75 3.237 3.072 -14.006 1.00 0.00 C ATOM 889 CG LYS A 75 3.174 4.033 -12.799 1.00 0.00 C ATOM 890 CD LYS A 75 4.242 3.688 -11.733 1.00 0.00 C ATOM 891 CE LYS A 75 4.405 4.765 -10.650 1.00 0.00 C ATOM 892 NZ LYS A 75 4.664 6.107 -11.222 1.00 0.00 N ATOM 0 H LYS A 75 3.927 1.187 -15.430 1.00 0.00 H new ATOM 0 HA LYS A 75 3.142 1.339 -12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.257 3.060 -14.389 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.603 3.467 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.320 5.057 -13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.183 3.986 -12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.976 2.744 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.201 3.536 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.503 4.801 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.227 4.490 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.425 6.572 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.950 6.011 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.799 6.682 -11.164 1.00 0.00 H new ATOM 906 N ASP A 76 0.703 1.351 -14.944 1.00 0.00 N ATOM 907 CA ASP A 76 -0.758 1.276 -15.180 1.00 0.00 C ATOM 908 C ASP A 76 -1.359 0.015 -14.532 1.00 0.00 C ATOM 909 O ASP A 76 -2.462 0.062 -13.973 1.00 0.00 O ATOM 910 CB ASP A 76 -1.058 1.305 -16.708 1.00 0.00 C ATOM 911 CG ASP A 76 -2.566 1.248 -17.040 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.223 2.313 -17.044 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.100 0.135 -17.272 1.00 0.00 O ATOM 0 H ASP A 76 1.253 1.287 -15.800 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.225 2.144 -14.715 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.634 2.213 -17.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.557 0.463 -17.185 1.00 0.00 H new ATOM 918 N HIS A 77 -0.605 -1.097 -14.605 1.00 0.00 N ATOM 919 CA HIS A 77 -0.929 -2.380 -13.941 1.00 0.00 C ATOM 920 C HIS A 77 -1.127 -2.171 -12.427 1.00 0.00 C ATOM 921 O HIS A 77 -2.061 -2.714 -11.831 1.00 0.00 O ATOM 922 CB HIS A 77 0.231 -3.383 -14.213 1.00 0.00 C ATOM 923 CG HIS A 77 0.166 -4.694 -13.476 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.320 -5.850 -14.034 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.586 -5.032 -12.234 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.197 -6.833 -13.169 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.354 -6.360 -12.071 1.00 0.00 N ATOM 0 H HIS A 77 0.265 -1.133 -15.137 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.861 -2.780 -14.342 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.258 -3.593 -15.282 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.172 -2.895 -13.960 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.025 -4.367 -11.506 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.498 -7.857 -13.332 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.571 -6.902 -11.235 1.00 0.00 H new ATOM 936 N LEU A 78 -0.222 -1.375 -11.834 1.00 0.00 N ATOM 937 CA LEU A 78 -0.177 -1.120 -10.380 1.00 0.00 C ATOM 938 C LEU A 78 -1.398 -0.312 -9.923 1.00 0.00 C ATOM 939 O LEU A 78 -1.970 -0.588 -8.865 1.00 0.00 O ATOM 940 CB LEU A 78 1.126 -0.364 -9.999 1.00 0.00 C ATOM 941 CG LEU A 78 2.446 -0.937 -10.594 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.665 -0.145 -10.105 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.590 -2.451 -10.330 1.00 0.00 C ATOM 0 H LEU A 78 0.507 -0.885 -12.353 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.191 -2.085 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.027 0.674 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.214 -0.356 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 78 2.396 -0.817 -11.676 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.571 -0.569 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.569 0.897 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.722 -0.199 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.525 -2.808 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.594 -2.634 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.754 -2.981 -10.786 1.00 0.00 H new ATOM 955 N VAL A 79 -1.788 0.682 -10.749 1.00 0.00 N ATOM 956 CA VAL A 79 -2.947 1.557 -10.490 1.00 0.00 C ATOM 957 C VAL A 79 -4.257 0.738 -10.556 1.00 0.00 C ATOM 958 O VAL A 79 -5.119 0.856 -9.685 1.00 0.00 O ATOM 959 CB VAL A 79 -3.017 2.753 -11.521 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.183 3.722 -11.189 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.666 3.505 -11.603 1.00 0.00 C ATOM 0 H VAL A 79 -1.303 0.900 -11.620 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.826 1.977 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.217 2.326 -12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.201 4.532 -11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.128 3.180 -11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.040 4.135 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.747 4.322 -12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.414 3.908 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.885 2.816 -11.924 1.00 0.00 H new ATOM 971 N THR A 80 -4.364 -0.114 -11.594 1.00 0.00 N ATOM 972 CA THR A 80 -5.535 -0.996 -11.814 1.00 0.00 C ATOM 973 C THR A 80 -5.727 -1.971 -10.632 1.00 0.00 C ATOM 974 O THR A 80 -6.851 -2.157 -10.149 1.00 0.00 O ATOM 975 CB THR A 80 -5.381 -1.806 -13.151 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.121 -0.904 -14.241 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.632 -2.640 -13.493 1.00 0.00 C ATOM 0 H THR A 80 -3.641 -0.213 -12.307 1.00 0.00 H new ATOM 0 HA THR A 80 -6.416 -0.359 -11.886 1.00 0.00 H new ATOM 0 HB THR A 80 -4.548 -2.494 -13.004 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.202 -0.569 -14.176 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.467 -3.178 -14.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.823 -3.354 -12.692 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.491 -1.979 -13.602 1.00 0.00 H new ATOM 985 N ALA A 81 -4.606 -2.547 -10.150 1.00 0.00 N ATOM 986 CA ALA A 81 -4.592 -3.485 -9.010 1.00 0.00 C ATOM 987 C ALA A 81 -4.983 -2.773 -7.707 1.00 0.00 C ATOM 988 O ALA A 81 -5.737 -3.311 -6.891 1.00 0.00 O ATOM 989 CB ALA A 81 -3.202 -4.125 -8.875 1.00 0.00 C ATOM 0 H ALA A 81 -3.681 -2.373 -10.543 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.327 -4.268 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.200 -4.816 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.961 -4.668 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.458 -3.346 -8.708 1.00 0.00 H new ATOM 995 N TYR A 82 -4.474 -1.537 -7.569 1.00 0.00 N ATOM 996 CA TYR A 82 -4.756 -0.638 -6.441 1.00 0.00 C ATOM 997 C TYR A 82 -6.269 -0.398 -6.295 1.00 0.00 C ATOM 998 O TYR A 82 -6.832 -0.669 -5.249 1.00 0.00 O ATOM 999 CB TYR A 82 -3.964 0.690 -6.655 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.460 1.937 -5.898 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.452 2.757 -6.454 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -3.900 2.335 -4.680 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -5.866 3.912 -5.839 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.326 3.490 -4.049 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.308 4.277 -4.642 1.00 0.00 C ATOM 1006 OH TYR A 82 -5.713 5.450 -4.056 1.00 0.00 O ATOM 0 H TYR A 82 -3.841 -1.127 -8.256 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.428 -1.094 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.926 0.514 -6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.969 0.918 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.903 2.472 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.126 1.734 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.626 4.529 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.898 3.779 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.927 5.975 -3.797 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.929 0.075 -7.369 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.364 0.458 -7.320 1.00 0.00 C ATOM 1018 C ASN A 83 -9.261 -0.775 -7.101 1.00 0.00 C ATOM 1019 O ASN A 83 -10.214 -0.723 -6.317 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.794 1.218 -8.600 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.192 2.625 -8.702 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.721 3.582 -8.134 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.120 2.777 -9.467 1.00 0.00 N ATOM 0 H ASN A 83 -6.497 0.203 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.489 1.130 -6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.497 0.639 -9.475 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.881 1.293 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.713 3.703 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.702 1.968 -9.926 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.916 -1.891 -7.776 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.628 -3.186 -7.647 1.00 0.00 C ATOM 1032 C HIS A 84 -9.455 -3.792 -6.238 1.00 0.00 C ATOM 1033 O HIS A 84 -10.287 -4.605 -5.811 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.173 -4.186 -8.754 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.660 -3.843 -10.143 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.283 -4.545 -11.263 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.518 -2.888 -10.579 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.883 -4.045 -12.325 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.640 -3.037 -11.936 1.00 0.00 N ATOM 0 H HIS A 84 -8.133 -1.923 -8.429 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.692 -2.992 -7.787 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.084 -4.227 -8.764 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.528 -5.183 -8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.014 -2.147 -9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.774 -4.400 -13.339 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.221 -2.462 -12.546 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.368 -3.416 -5.533 1.00 0.00 N ATOM 1049 CA LEU A 85 -8.127 -3.833 -4.135 1.00 0.00 C ATOM 1050 C LEU A 85 -9.272 -3.368 -3.221 1.00 0.00 C ATOM 1051 O LEU A 85 -9.895 -4.163 -2.524 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.802 -3.208 -3.622 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.369 -3.550 -2.170 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.203 -5.063 -1.968 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -5.090 -2.781 -1.777 1.00 0.00 C ATOM 0 H LEU A 85 -7.635 -2.817 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.067 -4.921 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.001 -3.516 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.887 -2.124 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.168 -3.226 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.900 -5.262 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.150 -5.563 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.441 -5.440 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.809 -3.039 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.280 -3.051 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.276 -1.709 -1.842 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.525 -2.054 -3.272 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.529 -1.379 -2.429 1.00 0.00 C ATOM 1069 C PHE A 86 -11.954 -1.703 -2.911 1.00 0.00 C ATOM 1070 O PHE A 86 -12.891 -1.772 -2.106 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.286 0.149 -2.442 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.839 0.556 -2.139 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.294 0.474 -0.854 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.021 1.016 -3.150 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.978 0.852 -0.612 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.725 1.386 -2.904 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.200 1.306 -1.640 1.00 0.00 C ATOM 0 H PHE A 86 -9.036 -1.421 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.428 -1.744 -1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.565 0.542 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.944 0.617 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.903 0.112 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.410 1.086 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.571 0.787 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.109 1.745 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.177 1.600 -1.458 1.00 0.00 H new ATOM 1087 N GLU A 87 -12.087 -1.935 -4.234 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.384 -2.178 -4.908 1.00 0.00 C ATOM 1089 C GLU A 87 -14.054 -3.490 -4.444 1.00 0.00 C ATOM 1090 O GLU A 87 -15.283 -3.621 -4.499 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.166 -2.179 -6.451 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.446 -2.336 -7.299 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.192 -2.266 -8.817 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.691 -3.255 -9.393 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -14.485 -1.223 -9.439 1.00 0.00 O ATOM 0 H GLU A 87 -11.291 -1.960 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.066 -1.373 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.676 -1.247 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.481 -2.988 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.915 -3.291 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.154 -1.555 -7.021 1.00 0.00 H new ATOM 1102 N THR A 88 -13.250 -4.440 -3.955 1.00 0.00 N ATOM 1103 CA THR A 88 -13.734 -5.732 -3.425 1.00 0.00 C ATOM 1104 C THR A 88 -13.225 -5.963 -1.987 1.00 0.00 C ATOM 1105 O THR A 88 -13.621 -6.941 -1.356 1.00 0.00 O ATOM 1106 CB THR A 88 -13.293 -6.908 -4.366 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.923 -6.727 -4.743 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.159 -6.997 -5.637 1.00 0.00 C ATOM 0 H THR A 88 -12.236 -4.339 -3.913 1.00 0.00 H new ATOM 0 HA THR A 88 -14.823 -5.703 -3.395 1.00 0.00 H new ATOM 0 HB THR A 88 -13.422 -7.837 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.450 -6.244 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.814 -7.826 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.200 -7.161 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.077 -6.067 -6.199 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.375 -5.032 -1.484 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.714 -5.130 -0.158 1.00 0.00 C ATOM 1118 C LYS A 89 -10.900 -6.443 -0.025 1.00 0.00 C ATOM 1119 O LYS A 89 -11.025 -7.191 0.950 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.738 -4.932 1.001 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.489 -3.580 0.949 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.385 -3.346 2.182 1.00 0.00 C ATOM 1123 CE LYS A 89 -15.162 -2.026 2.102 1.00 0.00 C ATOM 1124 NZ LYS A 89 -15.986 -1.801 3.315 1.00 0.00 N ATOM 0 H LYS A 89 -12.127 -4.184 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.995 -4.315 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.466 -5.742 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.213 -5.009 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.764 -2.770 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.102 -3.544 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.089 -4.173 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.768 -3.347 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.463 -1.199 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.805 -2.035 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.497 -0.900 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.670 -2.578 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.370 -1.768 4.152 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.067 -6.693 -1.053 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.152 -7.863 -1.139 1.00 0.00 C ATOM 1140 C ARG A 90 -7.999 -7.798 -0.120 1.00 0.00 C ATOM 1141 O ARG A 90 -7.278 -8.778 0.049 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.568 -7.970 -2.577 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.533 -8.543 -3.625 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.932 -8.505 -5.039 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.712 -9.292 -6.013 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.343 -8.800 -7.087 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.382 -7.489 -7.321 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.943 -9.631 -7.927 1.00 0.00 N ATOM 0 H ARG A 90 -10.005 -6.080 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.744 -8.747 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.251 -6.978 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.676 -8.595 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.783 -9.571 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.463 -7.975 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.875 -7.470 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.911 -8.886 -5.005 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.776 -10.298 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.927 -6.842 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.867 -7.132 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.922 -10.636 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.426 -9.266 -8.748 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.792 -6.632 0.500 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.787 -6.471 1.568 1.00 0.00 C ATOM 1164 C PHE A 91 -7.200 -7.250 2.828 1.00 0.00 C ATOM 1165 O PHE A 91 -8.379 -7.308 3.166 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.524 -4.965 1.888 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.775 -4.075 2.032 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.663 -4.218 3.102 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.063 -3.099 1.078 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.782 -3.412 3.216 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.182 -2.294 1.192 1.00 0.00 C ATOM 1172 CZ PHE A 91 -10.043 -2.455 2.257 1.00 0.00 C ATOM 0 H PHE A 91 -8.307 -5.779 0.283 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.848 -6.890 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.952 -4.906 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.897 -4.551 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.472 -4.971 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.400 -2.970 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.451 -3.532 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.382 -1.539 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.921 -1.832 2.340 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.214 -7.879 3.464 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.355 -8.538 4.757 1.00 0.00 C ATOM 1184 C LYS A 92 -6.168 -7.471 5.871 1.00 0.00 C ATOM 1185 O LYS A 92 -5.003 -7.099 6.156 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.291 -9.672 4.874 1.00 0.00 C ATOM 1187 CG LYS A 92 -5.375 -10.540 6.159 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.036 -11.265 6.498 1.00 0.00 C ATOM 1189 CE LYS A 92 -3.023 -10.366 7.250 1.00 0.00 C ATOM 1190 NZ LYS A 92 -2.771 -9.059 6.578 1.00 0.00 N ATOM 1191 OXT LYS A 92 -7.179 -6.991 6.424 1.00 0.00 O ATOM 0 H LYS A 92 -5.270 -7.945 3.083 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.342 -8.989 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.387 -10.327 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.299 -9.222 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.661 -9.907 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.163 -11.283 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.251 -12.144 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.580 -11.620 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.393 -10.181 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.079 -10.902 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.047 -8.531 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.438 -9.226 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.652 -8.507 6.551 1.00 0.00 H new