USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 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 180:sc= -0.546 USER MOD Set 1.2: A 33 GLN : amide:sc= -0.599 K(o=-1.1,f=0.32) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 LYS NZ :NH3+ -97:sc= 1.22 (180deg=0.198) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0.173 (180deg=0.154) USER MOD Single : A 49 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.038) USER MOD Single : A 51 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.28) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-4.6!) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) USER MOD Single : A 65 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) 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= -0.683 K(o=-0.68,f=-4.3!) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= 0.861 (180deg=0.316) USER MOD Single : A 77 HIS : no HD1:sc= 0.356 K(o=0.36,f=-1.9!) USER MOD Single : A 80 THR OG1 : rot 77:sc= 0.406 USER MOD Single : A 82 TYR OH : rot 157:sc= -0.178! USER MOD Single : A 83 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.2) USER MOD Single : A 88 THR OG1 : rot -66:sc= -0.184 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.225 3.198 1.316 1.00 0.00 N ATOM 96 CA ARG A 27 -5.506 3.800 0.175 1.00 0.00 C ATOM 97 C ARG A 27 -5.009 5.221 0.506 1.00 0.00 C ATOM 98 O ARG A 27 -5.713 6.005 1.152 1.00 0.00 O ATOM 99 CB ARG A 27 -6.359 3.801 -1.124 1.00 0.00 C ATOM 100 CG ARG A 27 -7.554 4.768 -1.187 1.00 0.00 C ATOM 101 CD ARG A 27 -8.758 4.267 -0.386 1.00 0.00 C ATOM 102 NE ARG A 27 -9.882 5.220 -0.364 1.00 0.00 N ATOM 103 CZ ARG A 27 -11.014 5.049 0.329 1.00 0.00 C ATOM 104 NH1 ARG A 27 -11.210 3.959 1.063 1.00 0.00 N ATOM 105 NH2 ARG A 27 -11.943 5.988 0.308 1.00 0.00 N ATOM 0 HA ARG A 27 -4.635 3.171 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.698 4.028 -1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.735 2.790 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.249 5.743 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.848 4.910 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.100 3.323 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.445 4.062 0.638 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.790 6.072 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.492 3.236 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.079 3.845 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.796 6.839 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.807 5.862 0.835 1.00 0.00 H new ATOM 119 N ALA A 28 -3.784 5.524 0.061 1.00 0.00 N ATOM 120 CA ALA A 28 -3.090 6.787 0.377 1.00 0.00 C ATOM 121 C ALA A 28 -3.170 7.769 -0.808 1.00 0.00 C ATOM 122 O ALA A 28 -3.436 8.962 -0.640 1.00 0.00 O ATOM 123 CB ALA A 28 -1.624 6.484 0.739 1.00 0.00 C ATOM 0 H ALA A 28 -3.239 4.899 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.579 7.260 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.107 7.415 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.592 5.823 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.134 5.999 -0.105 1.00 0.00 H new ATOM 129 N TRP A 29 -2.954 7.225 -2.012 1.00 0.00 N ATOM 130 CA TRP A 29 -2.760 7.994 -3.254 1.00 0.00 C ATOM 131 C TRP A 29 -4.031 8.011 -4.112 1.00 0.00 C ATOM 132 O TRP A 29 -4.870 7.106 -4.032 1.00 0.00 O ATOM 133 CB TRP A 29 -1.586 7.372 -4.056 1.00 0.00 C ATOM 134 CG TRP A 29 -0.341 7.181 -3.218 1.00 0.00 C ATOM 135 CD1 TRP A 29 0.370 8.150 -2.561 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.335 5.941 -2.949 1.00 0.00 C ATOM 137 NE1 TRP A 29 1.420 7.580 -1.883 1.00 0.00 N ATOM 138 CE2 TRP A 29 1.430 6.233 -2.121 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.120 4.615 -3.339 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.301 5.255 -1.666 1.00 0.00 C ATOM 141 CZ3 TRP A 29 0.990 3.642 -2.889 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.070 3.966 -2.060 1.00 0.00 C ATOM 0 H TRP A 29 -2.908 6.216 -2.156 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.529 9.026 -2.990 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.898 6.409 -4.460 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.352 8.014 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.139 9.205 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.086 8.081 -1.296 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.710 4.357 -3.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.133 5.502 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.835 2.614 -3.182 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.734 3.183 -1.725 1.00 0.00 H new ATOM 153 N THR A 30 -4.177 9.072 -4.910 1.00 0.00 N ATOM 154 CA THR A 30 -5.221 9.176 -5.938 1.00 0.00 C ATOM 155 C THR A 30 -4.674 8.654 -7.282 1.00 0.00 C ATOM 156 O THR A 30 -3.476 8.366 -7.395 1.00 0.00 O ATOM 157 CB THR A 30 -5.690 10.654 -6.091 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.562 11.479 -6.406 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.379 11.180 -4.819 1.00 0.00 C ATOM 0 H THR A 30 -3.570 9.890 -4.862 1.00 0.00 H new ATOM 0 HA THR A 30 -6.077 8.572 -5.636 1.00 0.00 H new ATOM 0 HB THR A 30 -6.423 10.689 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.854 12.409 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.688 12.214 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.254 10.568 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.683 11.131 -3.981 1.00 0.00 H new ATOM 167 N VAL A 31 -5.553 8.570 -8.302 1.00 0.00 N ATOM 168 CA VAL A 31 -5.199 8.041 -9.645 1.00 0.00 C ATOM 169 C VAL A 31 -4.004 8.806 -10.274 1.00 0.00 C ATOM 170 O VAL A 31 -3.121 8.198 -10.905 1.00 0.00 O ATOM 171 CB VAL A 31 -6.446 8.054 -10.618 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.972 9.493 -10.868 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.158 7.306 -11.957 1.00 0.00 C ATOM 0 H VAL A 31 -6.526 8.865 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.889 7.006 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.240 7.504 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.828 9.456 -11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.275 9.940 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.183 10.096 -11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.043 7.342 -12.592 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.324 7.786 -12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.905 6.267 -11.746 1.00 0.00 H new ATOM 183 N GLU A 32 -3.977 10.136 -10.050 1.00 0.00 N ATOM 184 CA GLU A 32 -2.936 11.033 -10.582 1.00 0.00 C ATOM 185 C GLU A 32 -1.595 10.862 -9.837 1.00 0.00 C ATOM 186 O GLU A 32 -0.522 10.966 -10.451 1.00 0.00 O ATOM 187 CB GLU A 32 -3.402 12.509 -10.539 1.00 0.00 C ATOM 188 CG GLU A 32 -3.782 13.025 -9.143 1.00 0.00 C ATOM 189 CD GLU A 32 -4.089 14.525 -9.133 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.150 15.322 -8.939 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.262 14.912 -9.350 1.00 0.00 O ATOM 0 H GLU A 32 -4.681 10.618 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.770 10.754 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.607 13.138 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.262 12.623 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.652 12.477 -8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.966 12.820 -8.450 1.00 0.00 H new ATOM 198 N GLN A 33 -1.660 10.611 -8.519 1.00 0.00 N ATOM 199 CA GLN A 33 -0.460 10.342 -7.692 1.00 0.00 C ATOM 200 C GLN A 33 0.196 9.008 -8.103 1.00 0.00 C ATOM 201 O GLN A 33 1.421 8.894 -8.082 1.00 0.00 O ATOM 202 CB GLN A 33 -0.821 10.375 -6.163 1.00 0.00 C ATOM 203 CG GLN A 33 -0.627 11.750 -5.481 1.00 0.00 C ATOM 204 CD GLN A 33 -1.347 12.905 -6.181 1.00 0.00 C ATOM 205 OE1 GLN A 33 -0.807 13.526 -7.094 1.00 0.00 O ATOM 206 NE2 GLN A 33 -2.558 13.205 -5.755 1.00 0.00 N ATOM 0 H GLN A 33 -2.535 10.588 -7.995 1.00 0.00 H new ATOM 0 HA GLN A 33 0.271 11.131 -7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.860 10.069 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.209 9.638 -5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.982 11.686 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.439 11.974 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.978 12.670 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.075 13.972 -6.185 1.00 0.00 H new ATOM 215 N LEU A 34 -0.629 8.030 -8.523 1.00 0.00 N ATOM 216 CA LEU A 34 -0.146 6.718 -9.008 1.00 0.00 C ATOM 217 C LEU A 34 0.657 6.870 -10.311 1.00 0.00 C ATOM 218 O LEU A 34 1.786 6.382 -10.430 1.00 0.00 O ATOM 219 CB LEU A 34 -1.341 5.775 -9.257 1.00 0.00 C ATOM 220 CG LEU A 34 -2.208 5.432 -8.019 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.489 4.690 -8.451 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.391 4.634 -6.965 1.00 0.00 C ATOM 0 H LEU A 34 -1.645 8.124 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 34 0.505 6.297 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.984 6.228 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.962 4.844 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.514 6.361 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.088 4.456 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.066 5.323 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.219 3.766 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.025 4.408 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.035 3.704 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.539 5.230 -6.638 1.00 0.00 H new ATOM 234 N ARG A 35 0.038 7.588 -11.277 1.00 0.00 N ATOM 235 CA ARG A 35 0.591 7.779 -12.633 1.00 0.00 C ATOM 236 C ARG A 35 1.772 8.780 -12.644 1.00 0.00 C ATOM 237 O ARG A 35 2.474 8.900 -13.648 1.00 0.00 O ATOM 238 CB ARG A 35 -0.526 8.188 -13.632 1.00 0.00 C ATOM 239 CG ARG A 35 -1.169 9.567 -13.393 1.00 0.00 C ATOM 240 CD ARG A 35 -2.503 9.757 -14.150 1.00 0.00 C ATOM 241 NE ARG A 35 -2.352 9.698 -15.611 1.00 0.00 N ATOM 242 CZ ARG A 35 -3.336 9.907 -16.501 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.571 10.202 -16.092 1.00 0.00 N ATOM 244 NH2 ARG A 35 -3.069 9.856 -17.797 1.00 0.00 N ATOM 0 H ARG A 35 -0.860 8.051 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 35 0.996 6.822 -12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.110 8.172 -14.639 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.311 7.432 -13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.343 9.699 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.470 10.345 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.207 8.987 -13.832 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.936 10.718 -13.874 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.426 9.481 -15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.775 10.271 -15.095 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.311 10.359 -16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.120 9.659 -18.115 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.812 10.014 -18.477 1.00 0.00 H new ATOM 258 N SER A 36 1.969 9.496 -11.523 1.00 0.00 N ATOM 259 CA SER A 36 3.127 10.391 -11.320 1.00 0.00 C ATOM 260 C SER A 36 4.456 9.588 -11.289 1.00 0.00 C ATOM 261 O SER A 36 4.493 8.460 -10.772 1.00 0.00 O ATOM 262 CB SER A 36 2.950 11.174 -9.997 1.00 0.00 C ATOM 263 OG SER A 36 4.039 12.049 -9.739 1.00 0.00 O ATOM 0 H SER A 36 1.329 9.472 -10.729 1.00 0.00 H new ATOM 0 HA SER A 36 3.175 11.090 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.026 11.750 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.849 10.470 -9.171 1.00 0.00 H new ATOM 0 HG SER A 36 3.885 12.524 -8.896 1.00 0.00 H new ATOM 269 N GLU A 37 5.535 10.187 -11.846 1.00 0.00 N ATOM 270 CA GLU A 37 6.894 9.600 -11.821 1.00 0.00 C ATOM 271 C GLU A 37 7.507 9.715 -10.407 1.00 0.00 C ATOM 272 O GLU A 37 8.346 8.894 -10.009 1.00 0.00 O ATOM 273 CB GLU A 37 7.821 10.309 -12.856 1.00 0.00 C ATOM 274 CG GLU A 37 8.185 11.774 -12.517 1.00 0.00 C ATOM 275 CD GLU A 37 9.064 12.464 -13.575 1.00 0.00 C ATOM 276 OE1 GLU A 37 10.286 12.198 -13.615 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.539 13.280 -14.367 1.00 0.00 O ATOM 0 H GLU A 37 5.488 11.087 -12.323 1.00 0.00 H new ATOM 0 HA GLU A 37 6.811 8.546 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.743 9.734 -12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.334 10.288 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.266 12.347 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.704 11.796 -11.559 1.00 0.00 H new ATOM 284 N GLN A 38 7.059 10.757 -9.669 1.00 0.00 N ATOM 285 CA GLN A 38 7.539 11.105 -8.319 1.00 0.00 C ATOM 286 C GLN A 38 7.227 9.985 -7.324 1.00 0.00 C ATOM 287 O GLN A 38 7.960 9.784 -6.350 1.00 0.00 O ATOM 288 CB GLN A 38 6.879 12.440 -7.873 1.00 0.00 C ATOM 289 CG GLN A 38 7.175 13.624 -8.816 1.00 0.00 C ATOM 290 CD GLN A 38 6.394 14.897 -8.477 1.00 0.00 C ATOM 291 OE1 GLN A 38 5.271 14.837 -7.970 1.00 0.00 O ATOM 292 NE2 GLN A 38 6.977 16.059 -8.745 1.00 0.00 N ATOM 0 H GLN A 38 6.336 11.392 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 38 8.622 11.229 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.800 12.298 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.227 12.690 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.242 13.844 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.942 13.328 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.907 16.078 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.495 16.932 -8.531 1.00 0.00 H new ATOM 301 N LEU A 39 6.117 9.277 -7.576 1.00 0.00 N ATOM 302 CA LEU A 39 5.768 8.053 -6.854 1.00 0.00 C ATOM 303 C LEU A 39 6.341 6.845 -7.636 1.00 0.00 C ATOM 304 O LEU A 39 5.852 6.542 -8.739 1.00 0.00 O ATOM 305 CB LEU A 39 4.230 7.944 -6.685 1.00 0.00 C ATOM 306 CG LEU A 39 3.707 6.678 -5.938 1.00 0.00 C ATOM 307 CD1 LEU A 39 4.325 6.533 -4.527 1.00 0.00 C ATOM 308 CD2 LEU A 39 2.163 6.678 -5.884 1.00 0.00 C ATOM 0 H LEU A 39 5.437 9.541 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 39 6.199 8.068 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.881 8.827 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.774 7.971 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 39 4.029 5.806 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.930 5.637 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.409 6.452 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.072 7.407 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.817 5.787 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.817 7.567 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.763 6.680 -6.898 1.00 0.00 H new ATOM 320 N PRO A 40 7.408 6.155 -7.104 1.00 0.00 N ATOM 321 CA PRO A 40 8.043 5.009 -7.789 1.00 0.00 C ATOM 322 C PRO A 40 7.120 3.771 -7.848 1.00 0.00 C ATOM 323 O PRO A 40 6.273 3.567 -6.967 1.00 0.00 O ATOM 324 CB PRO A 40 9.326 4.744 -6.959 1.00 0.00 C ATOM 325 CG PRO A 40 9.022 5.289 -5.599 1.00 0.00 C ATOM 326 CD PRO A 40 8.069 6.447 -5.803 1.00 0.00 C ATOM 0 HA PRO A 40 8.260 5.223 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.556 3.679 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.191 5.240 -7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.573 4.524 -4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.933 5.620 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.342 6.511 -4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.600 7.399 -5.831 1.00 0.00 H new ATOM 334 N LYS A 41 7.317 2.955 -8.901 1.00 0.00 N ATOM 335 CA LYS A 41 6.541 1.723 -9.147 1.00 0.00 C ATOM 336 C LYS A 41 6.656 0.748 -7.971 1.00 0.00 C ATOM 337 O LYS A 41 5.659 0.172 -7.523 1.00 0.00 O ATOM 338 CB LYS A 41 7.046 1.010 -10.433 1.00 0.00 C ATOM 339 CG LYS A 41 6.998 1.864 -11.721 1.00 0.00 C ATOM 340 CD LYS A 41 7.415 1.058 -12.973 1.00 0.00 C ATOM 341 CE LYS A 41 8.842 0.489 -12.863 1.00 0.00 C ATOM 342 NZ LYS A 41 9.224 -0.283 -14.067 1.00 0.00 N ATOM 0 H LYS A 41 8.026 3.134 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 41 5.498 2.017 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.074 0.685 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.449 0.112 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.989 2.252 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.657 2.725 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.712 0.239 -13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.350 1.700 -13.852 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.548 1.306 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.910 -0.152 -11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.066 -1.296 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.646 0.025 -14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.229 -0.120 -14.279 1.00 0.00 H new ATOM 356 N LYS A 42 7.891 0.628 -7.470 1.00 0.00 N ATOM 357 CA LYS A 42 8.251 -0.301 -6.400 1.00 0.00 C ATOM 358 C LYS A 42 7.521 0.033 -5.083 1.00 0.00 C ATOM 359 O LYS A 42 7.143 -0.872 -4.342 1.00 0.00 O ATOM 360 CB LYS A 42 9.791 -0.311 -6.208 1.00 0.00 C ATOM 361 CG LYS A 42 10.417 1.066 -5.877 1.00 0.00 C ATOM 362 CD LYS A 42 11.960 1.018 -5.771 1.00 0.00 C ATOM 363 CE LYS A 42 12.641 0.580 -7.085 1.00 0.00 C ATOM 364 NZ LYS A 42 14.122 0.568 -6.982 1.00 0.00 N ATOM 0 H LYS A 42 8.678 1.184 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 42 7.928 -1.301 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.038 -1.008 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.253 -0.694 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.133 1.783 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.005 1.430 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.330 2.003 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.243 0.330 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.291 -0.416 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.341 1.254 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.531 0.267 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.462 1.523 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.413 -0.095 -6.235 1.00 0.00 H new ATOM 378 N ASP A 43 7.295 1.334 -4.828 1.00 0.00 N ATOM 379 CA ASP A 43 6.664 1.789 -3.569 1.00 0.00 C ATOM 380 C ASP A 43 5.153 1.479 -3.569 1.00 0.00 C ATOM 381 O ASP A 43 4.565 1.219 -2.511 1.00 0.00 O ATOM 382 CB ASP A 43 6.916 3.298 -3.317 1.00 0.00 C ATOM 383 CG ASP A 43 6.608 3.715 -1.864 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.424 3.393 -0.962 1.00 0.00 O ATOM 385 OD2 ASP A 43 5.568 4.356 -1.611 1.00 0.00 O ATOM 0 H ASP A 43 7.537 2.088 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 43 7.128 1.237 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.956 3.532 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.299 3.885 -3.998 1.00 0.00 H new ATOM 390 N ILE A 44 4.535 1.489 -4.768 1.00 0.00 N ATOM 391 CA ILE A 44 3.106 1.149 -4.936 1.00 0.00 C ATOM 392 C ILE A 44 2.890 -0.359 -4.696 1.00 0.00 C ATOM 393 O ILE A 44 2.043 -0.742 -3.889 1.00 0.00 O ATOM 394 CB ILE A 44 2.552 1.561 -6.359 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.845 3.073 -6.633 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.031 1.255 -6.487 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.345 3.604 -7.972 1.00 0.00 C ATOM 0 H ILE A 44 5.007 1.730 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 44 2.547 1.721 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 44 3.067 0.964 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.393 3.663 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.922 3.233 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.683 1.550 -7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.861 0.188 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.483 1.813 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.599 4.660 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.815 3.047 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.263 3.485 -8.030 1.00 0.00 H new ATOM 409 N ILE A 45 3.683 -1.194 -5.401 1.00 0.00 N ATOM 410 CA ILE A 45 3.660 -2.676 -5.251 1.00 0.00 C ATOM 411 C ILE A 45 3.901 -3.076 -3.781 1.00 0.00 C ATOM 412 O ILE A 45 3.243 -3.974 -3.250 1.00 0.00 O ATOM 413 CB ILE A 45 4.778 -3.344 -6.133 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.612 -2.949 -7.626 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.811 -4.890 -5.959 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.798 -3.297 -8.507 1.00 0.00 C ATOM 0 H ILE A 45 4.359 -0.866 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 45 2.678 -3.022 -5.575 1.00 0.00 H new ATOM 0 HB ILE A 45 5.739 -2.965 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.725 -3.442 -8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.434 -1.875 -7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.597 -5.310 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.009 -5.135 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.849 -5.310 -6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.594 -2.985 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.686 -2.782 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.966 -4.374 -8.482 1.00 0.00 H new ATOM 428 N LYS A 46 4.856 -2.373 -3.158 1.00 0.00 N ATOM 429 CA LYS A 46 5.237 -2.543 -1.744 1.00 0.00 C ATOM 430 C LYS A 46 4.024 -2.362 -0.814 1.00 0.00 C ATOM 431 O LYS A 46 3.772 -3.187 0.066 1.00 0.00 O ATOM 432 CB LYS A 46 6.318 -1.502 -1.403 1.00 0.00 C ATOM 433 CG LYS A 46 6.943 -1.601 0.004 1.00 0.00 C ATOM 434 CD LYS A 46 7.846 -0.385 0.324 1.00 0.00 C ATOM 435 CE LYS A 46 8.917 -0.125 -0.752 1.00 0.00 C ATOM 436 NZ LYS A 46 9.655 1.134 -0.505 1.00 0.00 N ATOM 0 H LYS A 46 5.400 -1.652 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 46 5.619 -3.553 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.118 -1.585 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.884 -0.509 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.150 -1.670 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.529 -2.517 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.224 0.504 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.336 -0.547 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.619 -0.959 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.443 -0.081 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.452 1.205 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.017 1.943 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.015 1.140 0.471 1.00 0.00 H new ATOM 450 N PHE A 47 3.283 -1.269 -1.053 1.00 0.00 N ATOM 451 CA PHE A 47 2.059 -0.942 -0.300 1.00 0.00 C ATOM 452 C PHE A 47 0.994 -2.041 -0.478 1.00 0.00 C ATOM 453 O PHE A 47 0.412 -2.514 0.498 1.00 0.00 O ATOM 454 CB PHE A 47 1.503 0.437 -0.762 1.00 0.00 C ATOM 455 CG PHE A 47 0.201 0.877 -0.086 1.00 0.00 C ATOM 456 CD1 PHE A 47 0.024 0.723 1.286 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.843 1.447 -0.816 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.146 1.112 1.906 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.012 1.842 -0.191 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.159 1.678 1.168 1.00 0.00 C ATOM 0 H PHE A 47 3.514 -0.586 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 47 2.309 -0.885 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.263 1.197 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.340 0.402 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.818 0.291 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.737 1.581 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.266 0.972 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.811 2.280 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.070 1.994 1.655 1.00 0.00 H new ATOM 470 N LEU A 48 0.793 -2.459 -1.730 1.00 0.00 N ATOM 471 CA LEU A 48 -0.259 -3.418 -2.109 1.00 0.00 C ATOM 472 C LEU A 48 0.028 -4.831 -1.580 1.00 0.00 C ATOM 473 O LEU A 48 -0.899 -5.556 -1.242 1.00 0.00 O ATOM 474 CB LEU A 48 -0.420 -3.429 -3.646 1.00 0.00 C ATOM 475 CG LEU A 48 -0.814 -2.059 -4.270 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.851 -2.133 -5.813 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.145 -1.550 -3.677 1.00 0.00 C ATOM 0 H LEU A 48 1.357 -2.142 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.193 -3.094 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.517 -3.760 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.178 -4.165 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.045 -1.332 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.129 -1.160 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.133 -2.413 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.583 -2.878 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.401 -0.591 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.935 -2.271 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.040 -1.428 -2.599 1.00 0.00 H new ATOM 489 N GLN A 49 1.312 -5.195 -1.491 1.00 0.00 N ATOM 490 CA GLN A 49 1.729 -6.516 -0.974 1.00 0.00 C ATOM 491 C GLN A 49 1.758 -6.514 0.569 1.00 0.00 C ATOM 492 O GLN A 49 1.584 -7.560 1.207 1.00 0.00 O ATOM 493 CB GLN A 49 3.098 -6.955 -1.579 1.00 0.00 C ATOM 494 CG GLN A 49 4.332 -6.203 -1.051 1.00 0.00 C ATOM 495 CD GLN A 49 5.661 -6.643 -1.678 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.686 -6.675 -1.009 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.670 -6.934 -2.971 1.00 0.00 N ATOM 0 H GLN A 49 2.088 -4.595 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 49 0.990 -7.253 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.234 -8.019 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.054 -6.829 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.196 -5.136 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.391 -6.340 0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.803 -6.900 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.544 -7.192 -3.430 1.00 0.00 H new ATOM 506 N GLU A 50 1.964 -5.310 1.149 1.00 0.00 N ATOM 507 CA GLU A 50 2.091 -5.104 2.609 1.00 0.00 C ATOM 508 C GLU A 50 0.794 -5.476 3.363 1.00 0.00 C ATOM 509 O GLU A 50 0.842 -5.843 4.543 1.00 0.00 O ATOM 510 CB GLU A 50 2.475 -3.629 2.893 1.00 0.00 C ATOM 511 CG GLU A 50 2.813 -3.303 4.355 1.00 0.00 C ATOM 512 CD GLU A 50 4.031 -4.076 4.878 1.00 0.00 C ATOM 513 OE1 GLU A 50 5.175 -3.681 4.561 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.858 -5.095 5.586 1.00 0.00 O ATOM 0 H GLU A 50 2.047 -4.447 0.612 1.00 0.00 H new ATOM 0 HA GLU A 50 2.876 -5.766 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.334 -3.370 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.650 -2.990 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.001 -2.233 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.950 -3.530 4.981 1.00 0.00 H new ATOM 521 N HIS A 51 -0.360 -5.391 2.672 1.00 0.00 N ATOM 522 CA HIS A 51 -1.674 -5.746 3.271 1.00 0.00 C ATOM 523 C HIS A 51 -2.569 -6.588 2.334 1.00 0.00 C ATOM 524 O HIS A 51 -3.441 -7.303 2.820 1.00 0.00 O ATOM 525 CB HIS A 51 -2.425 -4.486 3.771 1.00 0.00 C ATOM 526 CG HIS A 51 -2.781 -3.449 2.732 1.00 0.00 C ATOM 527 ND1 HIS A 51 -3.733 -2.483 2.956 1.00 0.00 N ATOM 528 CD2 HIS A 51 -2.266 -3.175 1.510 1.00 0.00 C ATOM 529 CE1 HIS A 51 -3.782 -1.669 1.925 1.00 0.00 C ATOM 530 NE2 HIS A 51 -2.906 -2.064 1.029 1.00 0.00 N ATOM 0 H HIS A 51 -0.415 -5.081 1.702 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.449 -6.379 4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.345 -4.810 4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.813 -4.006 4.534 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.490 -3.732 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.436 -0.815 1.830 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.732 -1.619 0.128 1.00 0.00 H new ATOM 539 N GLY A 52 -2.374 -6.493 1.006 1.00 0.00 N ATOM 540 CA GLY A 52 -3.092 -7.351 0.049 1.00 0.00 C ATOM 541 C GLY A 52 -2.860 -8.838 0.300 1.00 0.00 C ATOM 542 O GLY A 52 -1.714 -9.259 0.489 1.00 0.00 O ATOM 0 H GLY A 52 -1.728 -5.833 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.160 -7.139 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.774 -7.104 -0.964 1.00 0.00 H new ATOM 546 N SER A 53 -3.960 -9.616 0.328 1.00 0.00 N ATOM 547 CA SER A 53 -3.914 -11.065 0.612 1.00 0.00 C ATOM 548 C SER A 53 -3.137 -11.829 -0.485 1.00 0.00 C ATOM 549 O SER A 53 -2.996 -11.342 -1.604 1.00 0.00 O ATOM 550 CB SER A 53 -5.349 -11.632 0.756 1.00 0.00 C ATOM 551 OG SER A 53 -5.341 -13.026 1.022 1.00 0.00 O ATOM 0 H SER A 53 -4.900 -9.261 0.156 1.00 0.00 H new ATOM 0 HA SER A 53 -3.384 -11.206 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.866 -11.111 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.909 -11.440 -0.159 1.00 0.00 H new ATOM 0 HG SER A 53 -6.263 -13.348 1.108 1.00 0.00 H new ATOM 557 N ASP A 54 -2.680 -13.046 -0.135 1.00 0.00 N ATOM 558 CA ASP A 54 -1.888 -13.925 -1.028 1.00 0.00 C ATOM 559 C ASP A 54 -2.648 -14.211 -2.337 1.00 0.00 C ATOM 560 O ASP A 54 -2.061 -14.261 -3.423 1.00 0.00 O ATOM 561 CB ASP A 54 -1.592 -15.269 -0.323 1.00 0.00 C ATOM 562 CG ASP A 54 -0.899 -15.114 1.039 1.00 0.00 C ATOM 563 OD1 ASP A 54 -1.591 -14.813 2.032 1.00 0.00 O ATOM 564 OD2 ASP A 54 0.334 -15.296 1.131 1.00 0.00 O ATOM 0 H ASP A 54 -2.850 -13.454 0.784 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.956 -13.410 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.528 -15.810 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.964 -15.879 -0.973 1.00 0.00 H new ATOM 569 N SER A 55 -3.973 -14.380 -2.179 1.00 0.00 N ATOM 570 CA SER A 55 -4.915 -14.674 -3.269 1.00 0.00 C ATOM 571 C SER A 55 -5.011 -13.481 -4.251 1.00 0.00 C ATOM 572 O SER A 55 -5.115 -13.680 -5.468 1.00 0.00 O ATOM 573 CB SER A 55 -6.301 -15.010 -2.665 1.00 0.00 C ATOM 574 OG SER A 55 -7.238 -15.423 -3.648 1.00 0.00 O ATOM 0 H SER A 55 -4.427 -14.314 -1.268 1.00 0.00 H new ATOM 0 HA SER A 55 -4.555 -15.533 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.188 -15.799 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.688 -14.134 -2.144 1.00 0.00 H new ATOM 0 HG SER A 55 -8.095 -15.625 -3.218 1.00 0.00 H new ATOM 580 N PHE A 56 -4.941 -12.250 -3.706 1.00 0.00 N ATOM 581 CA PHE A 56 -4.926 -11.012 -4.510 1.00 0.00 C ATOM 582 C PHE A 56 -3.583 -10.880 -5.254 1.00 0.00 C ATOM 583 O PHE A 56 -3.544 -10.673 -6.475 1.00 0.00 O ATOM 584 CB PHE A 56 -5.172 -9.767 -3.601 1.00 0.00 C ATOM 585 CG PHE A 56 -5.073 -8.422 -4.332 1.00 0.00 C ATOM 586 CD1 PHE A 56 -6.135 -7.946 -5.094 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.915 -7.643 -4.267 1.00 0.00 C ATOM 588 CE1 PHE A 56 -6.045 -6.746 -5.767 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.827 -6.442 -4.942 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.892 -5.997 -5.691 1.00 0.00 C ATOM 0 H PHE A 56 -4.893 -12.087 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.729 -11.063 -5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.161 -9.850 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.448 -9.778 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.044 -8.525 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.076 -7.986 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.880 -6.393 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.924 -5.853 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.823 -5.058 -6.220 1.00 0.00 H new ATOM 600 N LEU A 57 -2.489 -11.015 -4.487 1.00 0.00 N ATOM 601 CA LEU A 57 -1.116 -10.790 -4.975 1.00 0.00 C ATOM 602 C LEU A 57 -0.742 -11.783 -6.088 1.00 0.00 C ATOM 603 O LEU A 57 0.042 -11.446 -6.966 1.00 0.00 O ATOM 604 CB LEU A 57 -0.089 -10.881 -3.820 1.00 0.00 C ATOM 605 CG LEU A 57 -0.301 -9.905 -2.629 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.830 -10.047 -1.591 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.477 -8.443 -3.109 1.00 0.00 C ATOM 0 H LEU A 57 -2.531 -11.285 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.087 -9.783 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.099 -11.900 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.905 -10.707 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.232 -10.181 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.658 -9.353 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.846 -11.067 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.787 -9.821 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.623 -7.792 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.413 -8.129 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.346 -8.377 -3.764 1.00 0.00 H new ATOM 619 N ALA A 58 -1.300 -13.006 -6.018 1.00 0.00 N ATOM 620 CA ALA A 58 -1.094 -14.057 -7.034 1.00 0.00 C ATOM 621 C ALA A 58 -1.627 -13.620 -8.413 1.00 0.00 C ATOM 622 O ALA A 58 -0.911 -13.709 -9.421 1.00 0.00 O ATOM 623 CB ALA A 58 -1.778 -15.360 -6.581 1.00 0.00 C ATOM 0 H ALA A 58 -1.909 -13.295 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.022 -14.229 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.623 -16.133 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.349 -15.686 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.846 -15.185 -6.455 1.00 0.00 H new ATOM 629 N GLU A 59 -2.881 -13.122 -8.429 1.00 0.00 N ATOM 630 CA GLU A 59 -3.561 -12.637 -9.655 1.00 0.00 C ATOM 631 C GLU A 59 -2.738 -11.520 -10.324 1.00 0.00 C ATOM 632 O GLU A 59 -2.457 -11.557 -11.523 1.00 0.00 O ATOM 633 CB GLU A 59 -4.955 -12.064 -9.302 1.00 0.00 C ATOM 634 CG GLU A 59 -5.891 -13.014 -8.549 1.00 0.00 C ATOM 635 CD GLU A 59 -7.133 -12.279 -8.014 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.964 -11.377 -7.162 1.00 0.00 O ATOM 637 OE2 GLU A 59 -8.268 -12.573 -8.454 1.00 0.00 O ATOM 0 H GLU A 59 -3.455 -13.043 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.662 -13.482 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.817 -11.166 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.446 -11.756 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.203 -13.821 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.354 -13.473 -7.719 1.00 0.00 H new ATOM 644 N HIS A 60 -2.329 -10.545 -9.494 1.00 0.00 N ATOM 645 CA HIS A 60 -1.707 -9.287 -9.953 1.00 0.00 C ATOM 646 C HIS A 60 -0.163 -9.359 -9.919 1.00 0.00 C ATOM 647 O HIS A 60 0.507 -8.373 -10.220 1.00 0.00 O ATOM 648 CB HIS A 60 -2.233 -8.115 -9.078 1.00 0.00 C ATOM 649 CG HIS A 60 -3.726 -7.955 -9.124 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.587 -8.773 -8.424 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.513 -7.101 -9.813 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.824 -8.438 -8.688 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.813 -7.423 -9.527 1.00 0.00 N ATOM 0 H HIS A 60 -2.420 -10.606 -8.480 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.985 -9.119 -10.994 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.925 -8.277 -8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.766 -7.187 -9.409 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.303 -9.525 -7.796 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.179 -6.310 -10.468 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.706 -8.914 -8.285 1.00 0.00 H new ATOM 662 N LYS A 61 0.374 -10.539 -9.527 1.00 0.00 N ATOM 663 CA LYS A 61 1.837 -10.831 -9.490 1.00 0.00 C ATOM 664 C LYS A 61 2.624 -9.839 -8.601 1.00 0.00 C ATOM 665 O LYS A 61 3.824 -9.652 -8.789 1.00 0.00 O ATOM 666 CB LYS A 61 2.420 -10.890 -10.933 1.00 0.00 C ATOM 667 CG LYS A 61 1.870 -12.053 -11.788 1.00 0.00 C ATOM 668 CD LYS A 61 2.568 -12.167 -13.164 1.00 0.00 C ATOM 669 CE LYS A 61 2.311 -10.952 -14.071 1.00 0.00 C ATOM 670 NZ LYS A 61 0.881 -10.846 -14.457 1.00 0.00 N ATOM 0 H LYS A 61 -0.198 -11.327 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 61 1.956 -11.811 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.206 -9.948 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.505 -10.979 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.995 -12.989 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.800 -11.913 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.642 -12.280 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.221 -13.069 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.617 -10.042 -13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.925 -11.032 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.764 -10.078 -15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.568 -11.743 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.308 -10.643 -13.613 1.00 0.00 H new ATOM 684 N LEU A 62 1.942 -9.270 -7.586 1.00 0.00 N ATOM 685 CA LEU A 62 2.521 -8.236 -6.695 1.00 0.00 C ATOM 686 C LEU A 62 3.366 -8.861 -5.575 1.00 0.00 C ATOM 687 O LEU A 62 4.080 -8.146 -4.875 1.00 0.00 O ATOM 688 CB LEU A 62 1.396 -7.350 -6.098 1.00 0.00 C ATOM 689 CG LEU A 62 0.533 -6.569 -7.133 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.647 -5.873 -6.442 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.385 -5.565 -7.961 1.00 0.00 C ATOM 0 H LEU A 62 0.977 -9.511 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 62 3.183 -7.612 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.736 -7.983 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.848 -6.632 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 62 0.129 -7.294 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.236 -5.334 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.274 -6.619 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.270 -5.171 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.744 -5.042 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.849 -4.842 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.160 -6.106 -8.503 1.00 0.00 H new ATOM 703 N LEU A 63 3.271 -10.195 -5.406 1.00 0.00 N ATOM 704 CA LEU A 63 4.098 -10.940 -4.438 1.00 0.00 C ATOM 705 C LEU A 63 5.508 -11.189 -5.004 1.00 0.00 C ATOM 706 O LEU A 63 5.722 -11.163 -6.226 1.00 0.00 O ATOM 707 CB LEU A 63 3.374 -12.261 -3.997 1.00 0.00 C ATOM 708 CG LEU A 63 2.781 -13.189 -5.122 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.856 -13.972 -5.898 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.714 -14.150 -4.545 1.00 0.00 C ATOM 0 H LEU A 63 2.624 -10.782 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 63 4.226 -10.337 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.082 -12.852 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.560 -11.988 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 63 2.306 -12.523 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.378 -14.591 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.540 -13.272 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.412 -14.608 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.321 -14.779 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.167 -14.778 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.901 -13.571 -4.107 1.00 0.00 H new ATOM 722 N GLY A 64 6.456 -11.437 -4.091 1.00 0.00 N ATOM 723 CA GLY A 64 7.850 -11.701 -4.449 1.00 0.00 C ATOM 724 C GLY A 64 8.710 -10.447 -4.431 1.00 0.00 C ATOM 725 O GLY A 64 8.282 -9.399 -3.919 1.00 0.00 O ATOM 0 H GLY A 64 6.276 -11.460 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.266 -12.432 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.887 -12.147 -5.443 1.00 0.00 H new ATOM 729 N ASN A 65 9.932 -10.574 -4.978 1.00 0.00 N ATOM 730 CA ASN A 65 10.940 -9.493 -5.014 1.00 0.00 C ATOM 731 C ASN A 65 10.373 -8.283 -5.782 1.00 0.00 C ATOM 732 O ASN A 65 10.179 -8.376 -6.992 1.00 0.00 O ATOM 733 CB ASN A 65 12.250 -10.026 -5.684 1.00 0.00 C ATOM 734 CG ASN A 65 13.453 -9.057 -5.644 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.305 -7.836 -5.635 1.00 0.00 O ATOM 736 ND2 ASN A 65 14.664 -9.605 -5.645 1.00 0.00 N ATOM 0 H ASN A 65 10.254 -11.439 -5.413 1.00 0.00 H new ATOM 0 HA ASN A 65 11.179 -9.171 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.537 -10.956 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.034 -10.268 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.493 -9.010 -5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.764 -10.620 -5.653 1.00 0.00 H new ATOM 743 N ILE A 66 10.123 -7.167 -5.060 1.00 0.00 N ATOM 744 CA ILE A 66 9.412 -5.972 -5.597 1.00 0.00 C ATOM 745 C ILE A 66 10.097 -5.438 -6.870 1.00 0.00 C ATOM 746 O ILE A 66 9.429 -5.043 -7.829 1.00 0.00 O ATOM 747 CB ILE A 66 9.350 -4.795 -4.551 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.830 -5.279 -3.169 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.463 -3.645 -5.075 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.880 -4.221 -2.066 1.00 0.00 C ATOM 0 H ILE A 66 10.407 -7.064 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 66 8.400 -6.307 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 66 10.368 -4.428 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.801 -5.620 -3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.419 -6.141 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.434 -2.843 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.875 -3.264 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.453 -4.015 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.499 -4.645 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.910 -3.896 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.267 -3.367 -2.353 1.00 0.00 H new ATOM 762 N LYS A 67 11.437 -5.396 -6.828 1.00 0.00 N ATOM 763 CA LYS A 67 12.293 -4.956 -7.944 1.00 0.00 C ATOM 764 C LYS A 67 12.009 -5.777 -9.222 1.00 0.00 C ATOM 765 O LYS A 67 11.856 -5.217 -10.322 1.00 0.00 O ATOM 766 CB LYS A 67 13.771 -5.121 -7.509 1.00 0.00 C ATOM 767 CG LYS A 67 14.186 -4.239 -6.296 1.00 0.00 C ATOM 768 CD LYS A 67 15.297 -4.870 -5.412 1.00 0.00 C ATOM 769 CE LYS A 67 16.561 -5.253 -6.190 1.00 0.00 C ATOM 770 NZ LYS A 67 17.256 -4.071 -6.755 1.00 0.00 N ATOM 0 H LYS A 67 11.968 -5.672 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 67 12.082 -3.913 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.949 -6.167 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.415 -4.881 -8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.532 -3.273 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.308 -4.050 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.565 -4.166 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.899 -5.759 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.242 -5.791 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.295 -5.935 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.104 -4.381 -7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.617 -3.571 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.535 -3.431 -5.984 1.00 0.00 H new ATOM 784 N ASN A 68 11.918 -7.108 -9.058 1.00 0.00 N ATOM 785 CA ASN A 68 11.674 -8.050 -10.174 1.00 0.00 C ATOM 786 C ASN A 68 10.205 -7.984 -10.647 1.00 0.00 C ATOM 787 O ASN A 68 9.920 -8.159 -11.843 1.00 0.00 O ATOM 788 CB ASN A 68 12.051 -9.505 -9.766 1.00 0.00 C ATOM 789 CG ASN A 68 13.535 -9.688 -9.421 1.00 0.00 C ATOM 790 OD1 ASN A 68 14.177 -8.788 -8.879 1.00 0.00 O ATOM 791 ND2 ASN A 68 14.097 -10.845 -9.738 1.00 0.00 N ATOM 0 H ASN A 68 12.011 -7.565 -8.151 1.00 0.00 H new ATOM 0 HA ASN A 68 12.312 -7.751 -11.006 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.449 -9.799 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.792 -10.180 -10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.083 -11.006 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.543 -11.575 -10.187 1.00 0.00 H new ATOM 798 N VAL A 69 9.282 -7.722 -9.697 1.00 0.00 N ATOM 799 CA VAL A 69 7.848 -7.505 -9.993 1.00 0.00 C ATOM 800 C VAL A 69 7.677 -6.252 -10.874 1.00 0.00 C ATOM 801 O VAL A 69 6.975 -6.286 -11.885 1.00 0.00 O ATOM 802 CB VAL A 69 6.989 -7.329 -8.674 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.509 -6.986 -8.989 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.080 -8.582 -7.771 1.00 0.00 C ATOM 0 H VAL A 69 9.509 -7.655 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 69 7.489 -8.390 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 69 7.414 -6.486 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.955 -6.874 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.463 -6.054 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.067 -7.789 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.479 -8.429 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.706 -9.450 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.119 -8.751 -7.487 1.00 0.00 H new ATOM 814 N ALA A 70 8.413 -5.184 -10.498 1.00 0.00 N ATOM 815 CA ALA A 70 8.353 -3.847 -11.140 1.00 0.00 C ATOM 816 C ALA A 70 8.891 -3.856 -12.587 1.00 0.00 C ATOM 817 O ALA A 70 8.796 -2.844 -13.286 1.00 0.00 O ATOM 818 CB ALA A 70 9.106 -2.817 -10.269 1.00 0.00 C ATOM 0 H ALA A 70 9.078 -5.225 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 70 7.304 -3.560 -11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.060 -1.837 -10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.643 -2.766 -9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.148 -3.121 -10.165 1.00 0.00 H new ATOM 824 N LYS A 71 9.430 -5.004 -13.034 1.00 0.00 N ATOM 825 CA LYS A 71 9.860 -5.191 -14.428 1.00 0.00 C ATOM 826 C LYS A 71 8.625 -5.310 -15.348 1.00 0.00 C ATOM 827 O LYS A 71 8.517 -4.597 -16.356 1.00 0.00 O ATOM 828 CB LYS A 71 10.751 -6.455 -14.556 1.00 0.00 C ATOM 829 CG LYS A 71 11.232 -6.752 -15.995 1.00 0.00 C ATOM 830 CD LYS A 71 12.041 -8.061 -16.101 1.00 0.00 C ATOM 831 CE LYS A 71 12.386 -8.419 -17.555 1.00 0.00 C ATOM 832 NZ LYS A 71 13.051 -9.740 -17.666 1.00 0.00 N ATOM 0 H LYS A 71 9.578 -5.822 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 71 10.447 -4.325 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.622 -6.338 -13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.194 -7.316 -14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.368 -6.811 -16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.846 -5.922 -16.346 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.961 -7.964 -15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.470 -8.875 -15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.474 -8.422 -18.152 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.037 -7.651 -17.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.264 -9.938 -18.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.935 -9.731 -17.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.421 -10.478 -17.293 1.00 0.00 H new ATOM 846 N THR A 72 7.689 -6.202 -14.968 1.00 0.00 N ATOM 847 CA THR A 72 6.444 -6.440 -15.719 1.00 0.00 C ATOM 848 C THR A 72 5.310 -5.535 -15.203 1.00 0.00 C ATOM 849 O THR A 72 4.334 -5.287 -15.919 1.00 0.00 O ATOM 850 CB THR A 72 6.014 -7.951 -15.650 1.00 0.00 C ATOM 851 OG1 THR A 72 4.892 -8.191 -16.522 1.00 0.00 O ATOM 852 CG2 THR A 72 5.659 -8.411 -14.219 1.00 0.00 C ATOM 0 H THR A 72 7.777 -6.778 -14.130 1.00 0.00 H new ATOM 0 HA THR A 72 6.638 -6.191 -16.762 1.00 0.00 H new ATOM 0 HB THR A 72 6.876 -8.533 -15.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.635 -9.135 -16.472 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.370 -9.462 -14.236 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.526 -8.283 -13.570 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.830 -7.813 -13.840 1.00 0.00 H new ATOM 860 N ALA A 73 5.447 -5.043 -13.959 1.00 0.00 N ATOM 861 CA ALA A 73 4.465 -4.142 -13.349 1.00 0.00 C ATOM 862 C ALA A 73 4.773 -2.703 -13.759 1.00 0.00 C ATOM 863 O ALA A 73 5.510 -1.974 -13.076 1.00 0.00 O ATOM 864 CB ALA A 73 4.417 -4.314 -11.819 1.00 0.00 C ATOM 0 H ALA A 73 6.239 -5.260 -13.354 1.00 0.00 H new ATOM 0 HA ALA A 73 3.470 -4.397 -13.714 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.679 -3.631 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.141 -5.340 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.397 -4.093 -11.397 1.00 0.00 H new ATOM 870 N ASN A 74 4.245 -2.335 -14.935 1.00 0.00 N ATOM 871 CA ASN A 74 4.362 -0.973 -15.487 1.00 0.00 C ATOM 872 C ASN A 74 3.418 -0.022 -14.736 1.00 0.00 C ATOM 873 O ASN A 74 2.587 -0.480 -13.944 1.00 0.00 O ATOM 874 CB ASN A 74 4.052 -0.962 -17.014 1.00 0.00 C ATOM 875 CG ASN A 74 2.597 -1.327 -17.377 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.946 -2.132 -16.714 1.00 0.00 O ATOM 877 ND2 ASN A 74 2.074 -0.728 -18.435 1.00 0.00 N ATOM 0 H ASN A 74 3.722 -2.974 -15.534 1.00 0.00 H new ATOM 0 HA ASN A 74 5.388 -0.631 -15.353 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.273 0.029 -17.409 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.723 -1.661 -17.513 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.114 -0.931 -18.714 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.631 -0.063 -18.972 1.00 0.00 H new ATOM 884 N LYS A 75 3.523 1.284 -15.029 1.00 0.00 N ATOM 885 CA LYS A 75 2.755 2.347 -14.344 1.00 0.00 C ATOM 886 C LYS A 75 1.229 2.066 -14.389 1.00 0.00 C ATOM 887 O LYS A 75 0.519 2.253 -13.397 1.00 0.00 O ATOM 888 CB LYS A 75 3.066 3.716 -14.999 1.00 0.00 C ATOM 889 CG LYS A 75 2.517 4.961 -14.252 1.00 0.00 C ATOM 890 CD LYS A 75 3.559 5.673 -13.339 1.00 0.00 C ATOM 891 CE LYS A 75 4.011 4.859 -12.112 1.00 0.00 C ATOM 892 NZ LYS A 75 4.840 5.674 -11.184 1.00 0.00 N ATOM 0 H LYS A 75 4.147 1.639 -15.753 1.00 0.00 H new ATOM 0 HA LYS A 75 3.056 2.365 -13.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.148 3.817 -15.089 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.660 3.714 -16.011 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.146 5.676 -14.986 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.665 4.658 -13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.437 5.918 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.134 6.616 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.136 4.483 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.581 3.991 -12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.735 5.311 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.839 5.616 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.527 6.665 -11.219 1.00 0.00 H new ATOM 906 N ASP A 76 0.769 1.586 -15.557 1.00 0.00 N ATOM 907 CA ASP A 76 -0.644 1.239 -15.816 1.00 0.00 C ATOM 908 C ASP A 76 -1.125 0.060 -14.937 1.00 0.00 C ATOM 909 O ASP A 76 -2.259 0.081 -14.422 1.00 0.00 O ATOM 910 CB ASP A 76 -0.836 0.900 -17.319 1.00 0.00 C ATOM 911 CG ASP A 76 -2.285 0.517 -17.675 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.170 1.392 -17.588 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.546 -0.658 -18.021 1.00 0.00 O ATOM 0 H ASP A 76 1.375 1.425 -16.361 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.251 2.106 -15.555 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.536 1.759 -17.920 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.173 0.077 -17.587 1.00 0.00 H new ATOM 918 N HIS A 77 -0.246 -0.958 -14.764 1.00 0.00 N ATOM 919 CA HIS A 77 -0.519 -2.162 -13.938 1.00 0.00 C ATOM 920 C HIS A 77 -0.812 -1.760 -12.492 1.00 0.00 C ATOM 921 O HIS A 77 -1.724 -2.290 -11.850 1.00 0.00 O ATOM 922 CB HIS A 77 0.696 -3.134 -13.972 1.00 0.00 C ATOM 923 CG HIS A 77 0.550 -4.388 -13.139 1.00 0.00 C ATOM 924 ND1 HIS A 77 0.167 -5.597 -13.667 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.777 -4.616 -11.817 1.00 0.00 C ATOM 926 CE1 HIS A 77 0.177 -6.511 -12.720 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.541 -5.940 -11.587 1.00 0.00 N ATOM 0 H HIS A 77 0.678 -0.967 -15.196 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.391 -2.668 -14.353 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.877 -3.425 -15.007 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.580 -2.594 -13.633 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.087 -3.884 -11.085 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.071 -7.554 -12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.631 -6.411 -10.687 1.00 0.00 H new ATOM 936 N LEU A 78 0.003 -0.814 -12.007 1.00 0.00 N ATOM 937 CA LEU A 78 -0.033 -0.326 -10.621 1.00 0.00 C ATOM 938 C LEU A 78 -1.388 0.285 -10.282 1.00 0.00 C ATOM 939 O LEU A 78 -1.956 -0.018 -9.248 1.00 0.00 O ATOM 940 CB LEU A 78 1.069 0.727 -10.405 1.00 0.00 C ATOM 941 CG LEU A 78 2.486 0.290 -10.852 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.458 1.460 -10.800 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.998 -0.918 -10.042 1.00 0.00 C ATOM 0 H LEU A 78 0.717 -0.359 -12.575 1.00 0.00 H new ATOM 0 HA LEU A 78 0.135 -1.179 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.797 1.633 -10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.102 0.986 -9.347 1.00 0.00 H new ATOM 0 HG LEU A 78 2.418 -0.037 -11.889 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.446 1.127 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.110 2.252 -11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.515 1.841 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.995 -1.192 -10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.040 -0.656 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.322 -1.762 -10.180 1.00 0.00 H new ATOM 955 N VAL A 79 -1.885 1.135 -11.202 1.00 0.00 N ATOM 956 CA VAL A 79 -3.163 1.848 -11.051 1.00 0.00 C ATOM 957 C VAL A 79 -4.340 0.854 -11.000 1.00 0.00 C ATOM 958 O VAL A 79 -5.199 0.939 -10.115 1.00 0.00 O ATOM 959 CB VAL A 79 -3.383 2.888 -12.222 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.710 3.671 -12.044 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.171 3.852 -12.343 1.00 0.00 C ATOM 0 H VAL A 79 -1.405 1.346 -12.077 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.123 2.396 -10.110 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.459 2.327 -13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.829 4.377 -12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.547 2.973 -12.041 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.688 4.215 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.347 4.557 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.046 4.399 -11.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.268 3.277 -12.550 1.00 0.00 H new ATOM 971 N THR A 80 -4.331 -0.107 -11.942 1.00 0.00 N ATOM 972 CA THR A 80 -5.368 -1.155 -12.043 1.00 0.00 C ATOM 973 C THR A 80 -5.430 -2.004 -10.761 1.00 0.00 C ATOM 974 O THR A 80 -6.496 -2.154 -10.163 1.00 0.00 O ATOM 975 CB THR A 80 -5.105 -2.074 -13.282 1.00 0.00 C ATOM 976 OG1 THR A 80 -4.979 -1.260 -14.460 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.235 -3.103 -13.502 1.00 0.00 C ATOM 0 H THR A 80 -3.606 -0.180 -12.655 1.00 0.00 H new ATOM 0 HA THR A 80 -6.329 -0.657 -12.170 1.00 0.00 H new ATOM 0 HB THR A 80 -4.185 -2.626 -13.089 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.092 -0.844 -14.477 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.004 -3.716 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.322 -3.741 -12.623 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.177 -2.580 -13.666 1.00 0.00 H new ATOM 985 N ALA A 81 -4.262 -2.500 -10.318 1.00 0.00 N ATOM 986 CA ALA A 81 -4.139 -3.380 -9.142 1.00 0.00 C ATOM 987 C ALA A 81 -4.506 -2.636 -7.846 1.00 0.00 C ATOM 988 O ALA A 81 -5.239 -3.166 -7.005 1.00 0.00 O ATOM 989 CB ALA A 81 -2.706 -3.933 -9.060 1.00 0.00 C ATOM 0 H ALA A 81 -3.369 -2.300 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.839 -4.208 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.616 -4.584 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.483 -4.502 -9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.002 -3.106 -8.969 1.00 0.00 H new ATOM 995 N TYR A 82 -4.005 -1.390 -7.733 1.00 0.00 N ATOM 996 CA TYR A 82 -4.206 -0.524 -6.558 1.00 0.00 C ATOM 997 C TYR A 82 -5.698 -0.301 -6.310 1.00 0.00 C ATOM 998 O TYR A 82 -6.224 -0.742 -5.294 1.00 0.00 O ATOM 999 CB TYR A 82 -3.461 0.828 -6.774 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.641 1.886 -5.684 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.839 1.896 -4.542 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.589 2.903 -5.817 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.995 2.869 -3.581 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.722 3.881 -4.863 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.920 3.849 -3.749 1.00 0.00 C ATOM 1006 OH TYR A 82 -4.029 4.823 -2.803 1.00 0.00 O ATOM 0 H TYR A 82 -3.443 -0.953 -8.464 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.793 -1.010 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.396 0.619 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.793 1.253 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.087 1.132 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.229 2.920 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.381 2.853 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.451 4.668 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.435 5.621 -3.201 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.381 0.263 -7.322 1.00 0.00 N ATOM 1017 CA ASN A 83 -7.806 0.653 -7.230 1.00 0.00 C ATOM 1018 C ASN A 83 -8.693 -0.566 -6.907 1.00 0.00 C ATOM 1019 O ASN A 83 -9.595 -0.470 -6.070 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.267 1.368 -8.544 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.918 2.867 -8.580 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.735 3.712 -8.215 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -6.706 3.214 -8.997 1.00 0.00 N ATOM 0 H ASN A 83 -5.962 0.463 -8.230 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.916 1.362 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.805 0.874 -9.399 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.345 1.251 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.436 4.197 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.045 2.497 -9.295 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.366 -1.720 -7.526 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.100 -2.989 -7.339 1.00 0.00 C ATOM 1032 C HIS A 84 -8.989 -3.531 -5.901 1.00 0.00 C ATOM 1033 O HIS A 84 -9.949 -4.132 -5.400 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.601 -4.061 -8.345 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.024 -3.834 -9.771 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -9.969 -2.907 -10.148 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -8.611 -4.422 -10.913 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.113 -2.931 -11.454 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -9.300 -3.847 -11.944 1.00 0.00 N ATOM 0 H HIS A 84 -7.581 -1.798 -8.173 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.152 -2.772 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.512 -4.097 -8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.964 -5.037 -8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.871 -5.204 -10.997 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.782 -2.307 -12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.202 -4.087 -12.931 1.00 0.00 H new ATOM 1048 N LEU A 85 -7.837 -3.315 -5.241 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.589 -3.847 -3.883 1.00 0.00 C ATOM 1050 C LEU A 85 -8.639 -3.323 -2.890 1.00 0.00 C ATOM 1051 O LEU A 85 -9.278 -4.088 -2.164 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.161 -3.463 -3.395 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.732 -4.013 -1.992 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.860 -5.545 -1.919 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.301 -3.561 -1.617 1.00 0.00 C ATOM 0 H LEU A 85 -7.061 -2.776 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.665 -4.933 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.441 -3.815 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.089 -2.376 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.419 -3.587 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.554 -5.889 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.896 -5.833 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.221 -6.000 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.038 -3.961 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.596 -3.931 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.259 -2.472 -1.587 1.00 0.00 H new ATOM 1067 N PHE A 86 -8.779 -2.000 -2.895 1.00 0.00 N ATOM 1068 CA PHE A 86 -9.685 -1.249 -2.009 1.00 0.00 C ATOM 1069 C PHE A 86 -11.150 -1.369 -2.479 1.00 0.00 C ATOM 1070 O PHE A 86 -12.080 -1.341 -1.663 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.200 0.221 -1.937 1.00 0.00 C ATOM 1072 CG PHE A 86 -7.684 0.317 -1.748 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.071 0.017 -0.532 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -6.867 0.637 -2.816 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -5.695 0.060 -0.402 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -5.500 0.662 -2.682 1.00 0.00 C ATOM 1077 CZ PHE A 86 -4.913 0.377 -1.480 1.00 0.00 C ATOM 0 H PHE A 86 -8.255 -1.398 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.660 -1.671 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.485 0.742 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.701 0.728 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.679 -0.252 0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.311 0.871 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.237 -0.157 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.883 0.909 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.838 0.402 -1.382 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.321 -1.539 -3.810 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.633 -1.675 -4.481 1.00 0.00 C ATOM 1089 C GLU A 87 -13.416 -2.911 -3.977 1.00 0.00 C ATOM 1090 O GLU A 87 -14.648 -2.927 -3.985 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.407 -1.782 -6.024 1.00 0.00 C ATOM 1092 CG GLU A 87 -13.671 -1.812 -6.904 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.463 -0.495 -6.896 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.011 0.483 -7.536 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -15.534 -0.430 -6.257 1.00 0.00 O ATOM 0 H GLU A 87 -10.536 -1.586 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.230 -0.794 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.793 -0.938 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.832 -2.686 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.383 -2.046 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.321 -2.618 -6.563 1.00 0.00 H new ATOM 1102 N THR A 88 -12.685 -3.942 -3.518 1.00 0.00 N ATOM 1103 CA THR A 88 -13.270 -5.220 -3.043 1.00 0.00 C ATOM 1104 C THR A 88 -12.740 -5.603 -1.641 1.00 0.00 C ATOM 1105 O THR A 88 -13.192 -6.598 -1.059 1.00 0.00 O ATOM 1106 CB THR A 88 -12.957 -6.364 -4.062 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.552 -6.381 -4.340 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.728 -6.196 -5.386 1.00 0.00 C ATOM 0 H THR A 88 -11.667 -3.918 -3.464 1.00 0.00 H new ATOM 0 HA THR A 88 -14.349 -5.084 -2.968 1.00 0.00 H new ATOM 0 HB THR A 88 -13.275 -7.302 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.303 -5.561 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.477 -7.015 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.800 -6.206 -5.187 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.454 -5.248 -5.849 1.00 0.00 H new ATOM 1116 N LYS A 89 -11.788 -4.797 -1.118 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.173 -4.977 0.222 1.00 0.00 C ATOM 1118 C LYS A 89 -10.500 -6.361 0.374 1.00 0.00 C ATOM 1119 O LYS A 89 -10.724 -7.077 1.356 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.202 -4.724 1.350 1.00 0.00 C ATOM 1121 CG LYS A 89 -12.853 -3.329 1.330 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.844 -3.132 2.495 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.904 -4.248 2.572 1.00 0.00 C ATOM 1124 NZ LYS A 89 -15.942 -3.959 3.582 1.00 0.00 N ATOM 0 H LYS A 89 -11.418 -3.990 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.385 -4.230 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.987 -5.477 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.708 -4.865 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.076 -2.566 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.375 -3.187 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.292 -3.096 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.344 -2.170 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.373 -4.370 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.418 -5.193 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.634 -4.735 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.499 -3.868 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.425 -3.070 3.339 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.661 -6.709 -0.608 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.900 -7.979 -0.609 1.00 0.00 C ATOM 1140 C ARG A 90 -7.640 -7.886 0.270 1.00 0.00 C ATOM 1141 O ARG A 90 -6.923 -8.872 0.447 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.551 -8.373 -2.060 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.794 -8.699 -2.906 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.449 -9.054 -4.349 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.644 -9.456 -5.123 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.637 -9.927 -6.385 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -9.497 -10.139 -7.031 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.787 -10.201 -6.991 1.00 0.00 N ATOM 0 H ARG A 90 -9.486 -6.125 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.525 -8.760 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.001 -7.558 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.889 -9.239 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.330 -9.531 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.468 -7.843 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.977 -8.197 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.721 -9.866 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.550 -9.369 -4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.607 -9.945 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.511 -10.496 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.669 -10.054 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.788 -10.558 -7.947 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.375 -6.677 0.787 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.384 -6.447 1.854 1.00 0.00 C ATOM 1164 C PHE A 91 -6.900 -6.990 3.203 1.00 0.00 C ATOM 1165 O PHE A 91 -8.095 -7.274 3.346 1.00 0.00 O ATOM 1166 CB PHE A 91 -5.983 -4.948 1.962 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.114 -3.956 2.255 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -7.521 -3.679 3.564 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.756 -3.287 1.221 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -8.526 -2.771 3.823 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.765 -2.376 1.485 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.149 -2.117 2.782 1.00 0.00 C ATOM 0 H PHE A 91 -7.843 -5.826 0.476 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.481 -6.997 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.233 -4.851 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.506 -4.654 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.039 -4.186 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.465 -3.480 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.825 -2.572 4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.254 -1.865 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.935 -1.404 2.983 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.975 -7.154 4.170 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.274 -7.736 5.490 1.00 0.00 C ATOM 1184 C LYS A 92 -7.268 -6.838 6.272 1.00 0.00 C ATOM 1185 O LYS A 92 -6.836 -5.831 6.877 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.956 -7.959 6.299 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.883 -8.808 5.576 1.00 0.00 C ATOM 1188 CD LYS A 92 -4.372 -10.229 5.197 1.00 0.00 C ATOM 1189 CE LYS A 92 -4.687 -11.097 6.426 1.00 0.00 C ATOM 1190 NZ LYS A 92 -5.065 -12.479 6.059 1.00 0.00 N ATOM 1191 OXT LYS A 92 -8.480 -7.138 6.265 1.00 0.00 O ATOM 0 H LYS A 92 -4.998 -6.885 4.055 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.748 -8.707 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.527 -6.987 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.204 -8.442 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.568 -8.288 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.006 -8.893 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.265 -10.148 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.609 -10.723 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.816 -11.123 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.498 -10.640 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.268 -13.024 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.912 -12.459 5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.282 -12.927 5.542 1.00 0.00 H new