USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 96 ASN : amide:sc= 0.487 K(o=-0.68,f=-8.1) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -134:sc= -1.17! (180deg=-4.68!) USER MOD Set 2.1: A 38 SER OG : rot 9:sc= 1.05 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.416 (180deg=0.29) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.0756 (180deg=-0.496) USER MOD Single : A 26 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0924 USER MOD Single : A 39 TYR OH : rot 57:sc= 1.04 USER MOD Single : A 55 SER OG : rot 180:sc= -0.023 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.253 K(o=-0.25,f=-3.1!) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.369 (180deg=0.369) USER MOD Single : A 72 THR OG1 : rot -121:sc= 0.0539 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 92 SER OG : rot 79:sc= 0.742 USER MOD Single : A 100 SER OG : rot 82:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.262 4.103 11.353 1.00 0.00 N ATOM 67 CA LYS A 8 3.487 4.270 10.129 1.00 0.00 C ATOM 68 C LYS A 8 4.366 4.074 8.898 1.00 0.00 C ATOM 69 O LYS A 8 3.999 4.469 7.791 1.00 0.00 O ATOM 70 CB LYS A 8 2.844 5.658 10.094 1.00 0.00 C ATOM 71 CG LYS A 8 1.533 5.702 9.328 1.00 0.00 C ATOM 72 CD LYS A 8 0.704 6.916 9.711 1.00 0.00 C ATOM 73 CE LYS A 8 -0.626 6.938 8.973 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.453 7.242 7.526 1.00 0.00 N ATOM 0 HA LYS A 8 2.703 3.513 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.669 5.994 11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.543 6.362 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.737 5.722 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.964 4.794 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.525 6.911 10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.262 7.825 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.119 5.972 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.280 7.684 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.386 7.315 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.055 8.143 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.093 6.481 7.074 1.00 0.00 H new ATOM 88 N VAL A 9 5.529 3.461 9.098 1.00 0.00 N ATOM 89 CA VAL A 9 6.459 3.210 8.003 1.00 0.00 C ATOM 90 C VAL A 9 7.055 1.810 8.099 1.00 0.00 C ATOM 91 O VAL A 9 7.130 1.227 9.181 1.00 0.00 O ATOM 92 CB VAL A 9 7.601 4.243 7.990 1.00 0.00 C ATOM 93 CG1 VAL A 9 7.055 5.640 7.737 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.378 4.194 9.296 1.00 0.00 C ATOM 0 H VAL A 9 5.849 3.129 10.008 1.00 0.00 H new ATOM 0 HA VAL A 9 5.890 3.297 7.077 1.00 0.00 H new ATOM 0 HB VAL A 9 8.284 3.994 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.877 6.356 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.547 5.663 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.350 5.903 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.181 4.930 9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.708 4.417 10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.802 3.199 9.430 1.00 0.00 H new ATOM 104 N LYS A 10 7.480 1.275 6.959 1.00 0.00 N ATOM 105 CA LYS A 10 8.072 -0.057 6.913 1.00 0.00 C ATOM 106 C LYS A 10 8.949 -0.219 5.675 1.00 0.00 C ATOM 107 O LYS A 10 8.564 0.174 4.574 1.00 0.00 O ATOM 108 CB LYS A 10 6.977 -1.125 6.918 1.00 0.00 C ATOM 109 CG LYS A 10 7.427 -2.455 7.497 1.00 0.00 C ATOM 110 CD LYS A 10 6.330 -3.502 7.408 1.00 0.00 C ATOM 111 CE LYS A 10 6.864 -4.896 7.704 1.00 0.00 C ATOM 112 NZ LYS A 10 8.163 -5.149 7.022 1.00 0.00 N ATOM 0 H LYS A 10 7.425 1.744 6.055 1.00 0.00 H new ATOM 0 HA LYS A 10 8.696 -0.181 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.126 -0.758 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.629 -1.282 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.310 -2.805 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.718 -2.319 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.535 -3.258 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.889 -3.484 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.990 -5.016 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.135 -5.640 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.468 -6.126 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.050 -5.010 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.880 -4.488 7.384 1.00 0.00 H new ATOM 126 N SER A 11 10.129 -0.801 5.864 1.00 0.00 N ATOM 127 CA SER A 11 11.062 -1.013 4.763 1.00 0.00 C ATOM 128 C SER A 11 11.893 -2.272 4.990 1.00 0.00 C ATOM 129 O SER A 11 12.294 -2.570 6.114 1.00 0.00 O ATOM 130 CB SER A 11 11.983 0.199 4.606 1.00 0.00 C ATOM 131 OG SER A 11 12.719 0.437 5.793 1.00 0.00 O ATOM 0 H SER A 11 10.462 -1.134 6.769 1.00 0.00 H new ATOM 0 HA SER A 11 10.483 -1.141 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.670 0.033 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.391 1.080 4.359 1.00 0.00 H new ATOM 0 HG SER A 11 13.301 1.215 5.667 1.00 0.00 H new ATOM 137 N GLY A 12 12.148 -3.007 3.913 1.00 0.00 N ATOM 138 CA GLY A 12 12.930 -4.226 4.014 1.00 0.00 C ATOM 139 C GLY A 12 13.206 -4.852 2.662 1.00 0.00 C ATOM 140 O GLY A 12 13.126 -4.182 1.632 1.00 0.00 O ATOM 0 H GLY A 12 11.827 -2.781 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.876 -4.007 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.400 -4.943 4.641 1.00 0.00 H new ATOM 144 N TRP A 13 13.534 -6.139 2.664 1.00 0.00 N ATOM 145 CA TRP A 13 13.824 -6.855 1.427 1.00 0.00 C ATOM 146 C TRP A 13 12.700 -7.826 1.083 1.00 0.00 C ATOM 147 O TRP A 13 12.645 -8.939 1.607 1.00 0.00 O ATOM 148 CB TRP A 13 15.148 -7.612 1.551 1.00 0.00 C ATOM 149 CG TRP A 13 16.350 -6.717 1.512 1.00 0.00 C ATOM 150 CD1 TRP A 13 17.129 -6.346 2.570 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.907 -6.080 0.358 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.138 -5.517 2.143 1.00 0.00 N ATOM 153 CE2 TRP A 13 18.024 -5.338 0.790 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.573 -6.065 -0.999 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.805 -4.591 -0.087 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.349 -5.322 -1.868 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.455 -4.594 -1.410 1.00 0.00 C ATOM 0 H TRP A 13 13.606 -6.708 3.508 1.00 0.00 H new ATOM 0 HA TRP A 13 13.905 -6.123 0.623 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.152 -8.173 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.219 -8.340 0.743 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.975 -6.658 3.592 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.856 -5.102 2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.723 -6.624 -1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.657 -4.029 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.099 -5.302 -2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.043 -4.024 -2.115 1.00 0.00 H new ATOM 168 N LEU A 14 11.805 -7.398 0.199 1.00 0.00 N ATOM 169 CA LEU A 14 10.681 -8.231 -0.216 1.00 0.00 C ATOM 170 C LEU A 14 10.831 -8.662 -1.671 1.00 0.00 C ATOM 171 O LEU A 14 11.519 -8.009 -2.455 1.00 0.00 O ATOM 172 CB LEU A 14 9.365 -7.474 -0.029 1.00 0.00 C ATOM 173 CG LEU A 14 9.170 -6.790 1.324 1.00 0.00 C ATOM 174 CD1 LEU A 14 8.016 -5.802 1.262 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.930 -7.824 2.415 1.00 0.00 C ATOM 0 H LEU A 14 11.836 -6.480 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 14 10.672 -9.124 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.290 -6.717 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.542 -8.173 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 14 10.080 -6.240 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.893 -5.325 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.227 -5.042 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.099 -6.329 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.793 -7.319 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.036 -8.402 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.788 -8.493 2.477 1.00 0.00 H new ATOM 187 N ASP A 15 10.180 -9.765 -2.026 1.00 0.00 N ATOM 188 CA ASP A 15 10.238 -10.282 -3.388 1.00 0.00 C ATOM 189 C ASP A 15 9.025 -9.828 -4.194 1.00 0.00 C ATOM 190 O ASP A 15 7.943 -9.619 -3.643 1.00 0.00 O ATOM 191 CB ASP A 15 10.314 -11.809 -3.374 1.00 0.00 C ATOM 192 CG ASP A 15 11.741 -12.318 -3.307 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.358 -12.214 -2.225 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.241 -12.819 -4.335 1.00 0.00 O ATOM 0 H ASP A 15 9.606 -10.318 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 15 11.136 -9.886 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.755 -12.190 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.833 -12.202 -4.270 1.00 0.00 H new ATOM 199 N LYS A 16 9.212 -9.677 -5.500 1.00 0.00 N ATOM 200 CA LYS A 16 8.133 -9.248 -6.383 1.00 0.00 C ATOM 201 C LYS A 16 7.939 -10.239 -7.526 1.00 0.00 C ATOM 202 O LYS A 16 8.901 -10.644 -8.181 1.00 0.00 O ATOM 203 CB LYS A 16 8.430 -7.856 -6.946 1.00 0.00 C ATOM 204 CG LYS A 16 7.482 -7.434 -8.055 1.00 0.00 C ATOM 205 CD LYS A 16 6.127 -7.024 -7.504 1.00 0.00 C ATOM 206 CE LYS A 16 6.083 -5.538 -7.180 1.00 0.00 C ATOM 207 NZ LYS A 16 6.184 -4.700 -8.407 1.00 0.00 N ATOM 0 H LYS A 16 10.101 -9.845 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 16 7.213 -9.209 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.377 -7.127 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.452 -7.837 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.917 -6.603 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.356 -8.256 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.350 -7.262 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.909 -7.600 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.154 -5.307 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.900 -5.290 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.728 -3.781 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.186 -4.551 -8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.709 -5.182 -9.197 1.00 0.00 H new ATOM 221 N LEU A 17 6.690 -10.626 -7.762 1.00 0.00 N ATOM 222 CA LEU A 17 6.369 -11.569 -8.827 1.00 0.00 C ATOM 223 C LEU A 17 5.876 -10.838 -10.072 1.00 0.00 C ATOM 224 O LEU A 17 4.676 -10.794 -10.343 1.00 0.00 O ATOM 225 CB LEU A 17 5.308 -12.564 -8.352 1.00 0.00 C ATOM 226 CG LEU A 17 5.019 -13.736 -9.291 1.00 0.00 C ATOM 227 CD1 LEU A 17 6.288 -14.531 -9.558 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.938 -14.633 -8.706 1.00 0.00 C ATOM 0 H LEU A 17 5.883 -10.301 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 17 7.279 -12.112 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.621 -12.965 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.378 -12.021 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 17 4.658 -13.338 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.063 -15.361 -10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.033 -13.883 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.679 -14.920 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.745 -15.462 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.270 -15.024 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.023 -14.057 -8.567 1.00 0.00 H new ATOM 372 N GLN A 26 11.554 -11.454 -7.821 1.00 0.00 N ATOM 373 CA GLN A 26 12.616 -10.463 -7.957 1.00 0.00 C ATOM 374 C GLN A 26 12.821 -9.703 -6.651 1.00 0.00 C ATOM 375 O GLN A 26 11.867 -9.208 -6.051 1.00 0.00 O ATOM 376 CB GLN A 26 12.287 -9.484 -9.085 1.00 0.00 C ATOM 377 CG GLN A 26 12.398 -10.094 -10.472 1.00 0.00 C ATOM 378 CD GLN A 26 13.813 -10.055 -11.015 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.649 -9.280 -10.549 1.00 0.00 O ATOM 380 NE2 GLN A 26 14.090 -10.893 -12.008 1.00 0.00 N ATOM 0 HA GLN A 26 13.540 -10.988 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.274 -9.107 -8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.958 -8.628 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.054 -11.128 -10.439 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.736 -9.560 -11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.367 -11.518 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.025 -10.911 -12.414 1.00 0.00 H new ATOM 389 N LYS A 27 14.073 -9.614 -6.214 1.00 0.00 N ATOM 390 CA LYS A 27 14.406 -8.913 -4.980 1.00 0.00 C ATOM 391 C LYS A 27 14.459 -7.406 -5.207 1.00 0.00 C ATOM 392 O LYS A 27 15.423 -6.888 -5.772 1.00 0.00 O ATOM 393 CB LYS A 27 15.749 -9.406 -4.435 1.00 0.00 C ATOM 394 CG LYS A 27 15.906 -9.209 -2.937 1.00 0.00 C ATOM 395 CD LYS A 27 17.155 -9.898 -2.413 1.00 0.00 C ATOM 396 CE LYS A 27 18.404 -9.076 -2.693 1.00 0.00 C ATOM 397 NZ LYS A 27 19.648 -9.863 -2.466 1.00 0.00 N ATOM 0 H LYS A 27 14.875 -10.019 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 27 13.625 -9.125 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.859 -10.465 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.555 -8.881 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.955 -8.144 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.029 -9.603 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.059 -10.061 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.252 -10.879 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.382 -8.721 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.410 -8.194 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.477 -9.268 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.682 -10.181 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.655 -10.691 -3.096 1.00 0.00 H new ATOM 411 N ARG A 28 13.420 -6.708 -4.762 1.00 0.00 N ATOM 412 CA ARG A 28 13.349 -5.260 -4.917 1.00 0.00 C ATOM 413 C ARG A 28 13.138 -4.578 -3.568 1.00 0.00 C ATOM 414 O ARG A 28 12.196 -4.896 -2.842 1.00 0.00 O ATOM 415 CB ARG A 28 12.217 -4.882 -5.874 1.00 0.00 C ATOM 416 CG ARG A 28 12.439 -5.362 -7.299 1.00 0.00 C ATOM 417 CD ARG A 28 13.539 -4.570 -7.989 1.00 0.00 C ATOM 418 NE ARG A 28 14.228 -5.360 -9.005 1.00 0.00 N ATOM 419 CZ ARG A 28 13.716 -5.627 -10.201 1.00 0.00 C ATOM 420 NH1 ARG A 28 12.515 -5.169 -10.529 1.00 0.00 N ATOM 421 NH2 ARG A 28 14.404 -6.354 -11.072 1.00 0.00 N ATOM 0 H ARG A 28 12.615 -7.122 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 28 14.297 -4.918 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.282 -5.300 -5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.103 -3.798 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.701 -6.420 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.512 -5.268 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.110 -3.681 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.259 -4.227 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 28 15.154 -5.727 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.983 -4.610 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.124 -5.375 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.327 -6.709 -10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.009 -6.558 -11.990 1.00 0.00 H new ATOM 435 N TRP A 29 14.019 -3.641 -3.240 1.00 0.00 N ATOM 436 CA TRP A 29 13.929 -2.915 -1.978 1.00 0.00 C ATOM 437 C TRP A 29 12.683 -2.037 -1.943 1.00 0.00 C ATOM 438 O TRP A 29 12.482 -1.192 -2.815 1.00 0.00 O ATOM 439 CB TRP A 29 15.178 -2.057 -1.769 1.00 0.00 C ATOM 440 CG TRP A 29 15.085 -1.153 -0.577 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.494 0.077 -0.525 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.602 -1.408 0.734 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.611 0.602 0.739 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.287 -0.289 1.530 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.299 -2.472 1.313 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.645 -0.207 2.873 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.655 -2.388 2.645 1.00 0.00 C ATOM 448 CH2 TRP A 29 16.327 -1.263 3.414 1.00 0.00 C ATOM 0 H TRP A 29 14.804 -3.366 -3.830 1.00 0.00 H new ATOM 0 HA TRP A 29 13.859 -3.645 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.043 -2.710 -1.654 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.349 -1.454 -2.661 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.006 0.565 -1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.253 1.508 1.040 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.555 -3.344 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.393 0.659 3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.196 -3.204 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.618 -1.229 4.453 1.00 0.00 H new ATOM 459 N VAL A 30 11.848 -2.243 -0.929 1.00 0.00 N ATOM 460 CA VAL A 30 10.621 -1.469 -0.780 1.00 0.00 C ATOM 461 C VAL A 30 10.660 -0.616 0.483 1.00 0.00 C ATOM 462 O VAL A 30 11.306 -0.974 1.468 1.00 0.00 O ATOM 463 CB VAL A 30 9.383 -2.384 -0.731 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.107 -1.556 -0.737 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.398 -3.363 -1.894 1.00 0.00 C ATOM 0 H VAL A 30 11.999 -2.939 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 30 10.548 -0.819 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 30 9.412 -2.956 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.243 -2.219 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.096 -0.899 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.067 -0.956 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.516 -4.002 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.393 -2.811 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.296 -3.979 -1.839 1.00 0.00 H new ATOM 475 N LYS A 31 9.964 0.515 0.447 1.00 0.00 N ATOM 476 CA LYS A 31 9.916 1.421 1.589 1.00 0.00 C ATOM 477 C LYS A 31 8.610 2.210 1.603 1.00 0.00 C ATOM 478 O LYS A 31 8.251 2.853 0.617 1.00 0.00 O ATOM 479 CB LYS A 31 11.105 2.383 1.553 1.00 0.00 C ATOM 480 CG LYS A 31 11.092 3.408 2.674 1.00 0.00 C ATOM 481 CD LYS A 31 11.764 4.704 2.252 1.00 0.00 C ATOM 482 CE LYS A 31 11.225 5.892 3.035 1.00 0.00 C ATOM 483 NZ LYS A 31 12.193 7.024 3.061 1.00 0.00 N ATOM 0 H LYS A 31 9.425 0.827 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 31 9.968 0.822 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.029 1.808 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.111 2.904 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.063 3.611 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.602 3.000 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.840 4.624 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.605 4.867 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.288 6.226 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.000 5.583 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.789 7.814 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.079 6.713 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.388 7.336 2.088 1.00 0.00 H new ATOM 497 N PHE A 32 7.905 2.157 2.728 1.00 0.00 N ATOM 498 CA PHE A 32 6.639 2.868 2.871 1.00 0.00 C ATOM 499 C PHE A 32 6.830 4.167 3.648 1.00 0.00 C ATOM 500 O PHE A 32 7.485 4.190 4.690 1.00 0.00 O ATOM 501 CB PHE A 32 5.611 1.983 3.579 1.00 0.00 C ATOM 502 CG PHE A 32 4.213 2.532 3.529 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.627 2.861 2.318 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.486 2.718 4.694 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.341 3.367 2.270 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.200 3.223 4.652 1.00 0.00 C ATOM 507 CZ PHE A 32 1.627 3.547 3.438 1.00 0.00 C ATOM 0 H PHE A 32 8.188 1.630 3.554 1.00 0.00 H new ATOM 0 HA PHE A 32 6.273 3.112 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.621 0.993 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.907 1.858 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.180 2.721 1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.929 2.465 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.895 3.621 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.644 3.364 5.567 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.622 3.941 3.402 1.00 0.00 H new ATOM 517 N ASP A 33 6.252 5.247 3.133 1.00 0.00 N ATOM 518 CA ASP A 33 6.357 6.551 3.777 1.00 0.00 C ATOM 519 C ASP A 33 5.000 7.007 4.304 1.00 0.00 C ATOM 520 O ASP A 33 4.841 8.150 4.731 1.00 0.00 O ATOM 521 CB ASP A 33 6.911 7.585 2.797 1.00 0.00 C ATOM 522 CG ASP A 33 5.922 7.933 1.701 1.00 0.00 C ATOM 523 OD1 ASP A 33 5.673 7.072 0.831 1.00 0.00 O ATOM 524 OD2 ASP A 33 5.397 9.065 1.715 1.00 0.00 O ATOM 0 H ASP A 33 5.706 5.245 2.271 1.00 0.00 H new ATOM 0 HA ASP A 33 7.042 6.458 4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.179 8.490 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.827 7.201 2.347 1.00 0.00 H new ATOM 529 N GLY A 34 4.023 6.105 4.270 1.00 0.00 N ATOM 530 CA GLY A 34 2.692 6.435 4.746 1.00 0.00 C ATOM 531 C GLY A 34 1.783 6.918 3.634 1.00 0.00 C ATOM 532 O GLY A 34 0.559 6.826 3.738 1.00 0.00 O ATOM 0 H GLY A 34 4.130 5.152 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.250 5.557 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.764 7.206 5.513 1.00 0.00 H new ATOM 536 N LEU A 35 2.380 7.437 2.566 1.00 0.00 N ATOM 537 CA LEU A 35 1.615 7.939 1.430 1.00 0.00 C ATOM 538 C LEU A 35 1.597 6.921 0.294 1.00 0.00 C ATOM 539 O LEU A 35 0.542 6.613 -0.261 1.00 0.00 O ATOM 540 CB LEU A 35 2.205 9.261 0.937 1.00 0.00 C ATOM 541 CG LEU A 35 1.832 10.505 1.743 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.832 11.623 1.494 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.422 10.961 1.396 1.00 0.00 C ATOM 0 H LEU A 35 3.391 7.521 2.463 1.00 0.00 H new ATOM 0 HA LEU A 35 0.589 8.107 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.291 9.170 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.890 9.414 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 35 1.860 10.250 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.550 12.500 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.827 11.294 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.837 11.877 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.173 11.848 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.367 11.198 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.285 10.164 1.627 1.00 0.00 H new ATOM 555 N SER A 36 2.772 6.401 -0.047 1.00 0.00 N ATOM 556 CA SER A 36 2.891 5.419 -1.118 1.00 0.00 C ATOM 557 C SER A 36 4.077 4.491 -0.874 1.00 0.00 C ATOM 558 O SER A 36 4.946 4.780 -0.051 1.00 0.00 O ATOM 559 CB SER A 36 3.048 6.122 -2.468 1.00 0.00 C ATOM 560 OG SER A 36 1.981 7.026 -2.699 1.00 0.00 O ATOM 0 H SER A 36 3.655 6.643 0.403 1.00 0.00 H new ATOM 0 HA SER A 36 1.980 4.820 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.996 6.659 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.080 5.380 -3.266 1.00 0.00 H new ATOM 0 HG SER A 36 2.105 7.464 -3.567 1.00 0.00 H new ATOM 566 N ILE A 37 4.106 3.376 -1.596 1.00 0.00 N ATOM 567 CA ILE A 37 5.185 2.405 -1.460 1.00 0.00 C ATOM 568 C ILE A 37 6.281 2.654 -2.490 1.00 0.00 C ATOM 569 O ILE A 37 6.126 2.331 -3.667 1.00 0.00 O ATOM 570 CB ILE A 37 4.668 0.963 -1.615 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.589 0.669 -0.570 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.816 -0.027 -1.492 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.704 -0.504 -0.929 1.00 0.00 C ATOM 0 H ILE A 37 3.394 3.122 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 37 5.596 2.529 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 37 4.226 0.856 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.068 0.472 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.968 1.556 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.435 -1.042 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.553 0.172 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.285 0.079 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.963 -0.654 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.197 -0.302 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.313 -1.402 -1.030 1.00 0.00 H new ATOM 585 N SER A 38 7.391 3.229 -2.038 1.00 0.00 N ATOM 586 CA SER A 38 8.514 3.523 -2.920 1.00 0.00 C ATOM 587 C SER A 38 9.525 2.381 -2.912 1.00 0.00 C ATOM 588 O SER A 38 10.216 2.156 -1.917 1.00 0.00 O ATOM 589 CB SER A 38 9.195 4.826 -2.497 1.00 0.00 C ATOM 590 OG SER A 38 9.952 4.644 -1.313 1.00 0.00 O ATOM 0 H SER A 38 7.536 3.501 -1.066 1.00 0.00 H new ATOM 0 HA SER A 38 8.128 3.636 -3.933 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.846 5.177 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.442 5.598 -2.336 1.00 0.00 H new ATOM 0 HG SER A 38 9.998 3.689 -1.098 1.00 0.00 H new ATOM 596 N TYR A 39 9.607 1.663 -4.026 1.00 0.00 N ATOM 597 CA TYR A 39 10.532 0.543 -4.148 1.00 0.00 C ATOM 598 C TYR A 39 11.519 0.772 -5.287 1.00 0.00 C ATOM 599 O TYR A 39 11.151 1.268 -6.353 1.00 0.00 O ATOM 600 CB TYR A 39 9.761 -0.758 -4.380 1.00 0.00 C ATOM 601 CG TYR A 39 9.308 -0.947 -5.810 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.139 -0.355 -6.273 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.048 -1.717 -6.698 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.721 -0.524 -7.578 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.638 -1.891 -8.006 1.00 0.00 C ATOM 606 CZ TYR A 39 8.474 -1.293 -8.441 1.00 0.00 C ATOM 607 OH TYR A 39 8.062 -1.465 -9.743 1.00 0.00 O ATOM 0 H TYR A 39 9.044 1.837 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 39 11.093 0.465 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.391 -1.600 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.889 -0.775 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.547 0.248 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.959 -2.188 -6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.810 -0.057 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.226 -2.492 -8.684 1.00 0.00 H new ATOM 0 HH TYR A 39 7.967 -0.590 -10.174 1.00 0.00 H new ATOM 617 N TYR A 40 12.775 0.408 -5.055 1.00 0.00 N ATOM 618 CA TYR A 40 13.818 0.575 -6.060 1.00 0.00 C ATOM 619 C TYR A 40 14.650 -0.696 -6.200 1.00 0.00 C ATOM 620 O TYR A 40 14.354 -1.716 -5.578 1.00 0.00 O ATOM 621 CB TYR A 40 14.724 1.753 -5.695 1.00 0.00 C ATOM 622 CG TYR A 40 13.982 2.922 -5.089 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.335 2.801 -3.865 1.00 0.00 C ATOM 624 CD2 TYR A 40 13.928 4.149 -5.739 1.00 0.00 C ATOM 625 CE1 TYR A 40 12.656 3.866 -3.307 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.251 5.220 -5.188 1.00 0.00 C ATOM 627 CZ TYR A 40 12.617 5.074 -3.973 1.00 0.00 C ATOM 628 OH TYR A 40 11.942 6.138 -3.420 1.00 0.00 O ATOM 0 H TYR A 40 13.096 -0.005 -4.179 1.00 0.00 H new ATOM 0 HA TYR A 40 13.335 0.778 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.484 1.412 -4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.246 2.090 -6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.364 1.857 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.424 4.267 -6.691 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.158 3.754 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.219 6.167 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 40 12.012 6.914 -4.014 1.00 0.00 H new ATOM 789 N GLY A 50 7.987 1.399 -10.411 1.00 0.00 N ATOM 790 CA GLY A 50 8.731 2.436 -9.722 1.00 0.00 C ATOM 791 C GLY A 50 8.173 2.733 -8.345 1.00 0.00 C ATOM 792 O GLY A 50 8.886 2.641 -7.346 1.00 0.00 O ATOM 0 HA2 GLY A 50 9.773 2.131 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.717 3.347 -10.320 1.00 0.00 H new ATOM 796 N ILE A 51 6.894 3.092 -8.292 1.00 0.00 N ATOM 797 CA ILE A 51 6.241 3.405 -7.027 1.00 0.00 C ATOM 798 C ILE A 51 4.753 3.077 -7.080 1.00 0.00 C ATOM 799 O ILE A 51 4.079 3.365 -8.070 1.00 0.00 O ATOM 800 CB ILE A 51 6.415 4.889 -6.655 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.989 5.128 -5.205 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.611 5.769 -7.600 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.523 6.417 -4.622 1.00 0.00 C ATOM 0 H ILE A 51 6.290 3.173 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 51 6.719 2.790 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 51 7.468 5.151 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.900 5.139 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.330 4.293 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.744 6.815 -7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.957 5.616 -8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.555 5.507 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.181 6.520 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.613 6.402 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.161 7.260 -5.210 1.00 0.00 H new ATOM 815 N ILE A 52 4.247 2.474 -6.010 1.00 0.00 N ATOM 816 CA ILE A 52 2.838 2.110 -5.934 1.00 0.00 C ATOM 817 C ILE A 52 2.062 3.091 -5.062 1.00 0.00 C ATOM 818 O ILE A 52 2.280 3.193 -3.854 1.00 0.00 O ATOM 819 CB ILE A 52 2.653 0.687 -5.374 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.620 -0.282 -6.058 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.215 0.227 -5.559 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.922 -1.516 -5.235 1.00 0.00 C ATOM 0 H ILE A 52 4.792 2.227 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 52 2.449 2.145 -6.952 1.00 0.00 H new ATOM 0 HB ILE A 52 2.874 0.701 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.198 -0.588 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.553 0.239 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.101 -0.780 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.545 0.906 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.967 0.225 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.613 -2.157 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.373 -1.220 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.997 -2.060 -5.042 1.00 0.00 H new ATOM 834 N PRO A 53 1.133 3.831 -5.685 1.00 0.00 N ATOM 835 CA PRO A 53 0.304 4.816 -4.985 1.00 0.00 C ATOM 836 C PRO A 53 -0.705 4.162 -4.047 1.00 0.00 C ATOM 837 O PRO A 53 -1.340 3.167 -4.398 1.00 0.00 O ATOM 838 CB PRO A 53 -0.416 5.546 -6.121 1.00 0.00 C ATOM 839 CG PRO A 53 -0.445 4.566 -7.243 1.00 0.00 C ATOM 840 CD PRO A 53 0.820 3.762 -7.123 1.00 0.00 C ATOM 0 HA PRO A 53 0.899 5.472 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.423 5.841 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.112 6.456 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.323 3.924 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.494 5.076 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.675 2.734 -7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.622 4.182 -7.730 1.00 0.00 H new ATOM 848 N LEU A 54 -0.850 4.728 -2.854 1.00 0.00 N ATOM 849 CA LEU A 54 -1.783 4.200 -1.865 1.00 0.00 C ATOM 850 C LEU A 54 -3.193 4.109 -2.441 1.00 0.00 C ATOM 851 O LEU A 54 -3.947 3.191 -2.121 1.00 0.00 O ATOM 852 CB LEU A 54 -1.787 5.083 -0.616 1.00 0.00 C ATOM 853 CG LEU A 54 -2.952 4.873 0.352 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.650 3.733 1.312 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.247 6.154 1.118 1.00 0.00 C ATOM 0 H LEU A 54 -0.333 5.553 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.456 3.197 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.856 4.915 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.788 6.126 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.837 4.608 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.490 3.599 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.490 2.815 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.753 3.968 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.079 5.986 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.365 6.450 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.509 6.946 0.416 1.00 0.00 H new ATOM 867 N SER A 55 -3.541 5.067 -3.294 1.00 0.00 N ATOM 868 CA SER A 55 -4.861 5.097 -3.914 1.00 0.00 C ATOM 869 C SER A 55 -5.120 3.815 -4.700 1.00 0.00 C ATOM 870 O SER A 55 -6.215 3.256 -4.654 1.00 0.00 O ATOM 871 CB SER A 55 -4.987 6.310 -4.837 1.00 0.00 C ATOM 872 OG SER A 55 -4.096 6.210 -5.935 1.00 0.00 O ATOM 0 H SER A 55 -2.927 5.833 -3.572 1.00 0.00 H new ATOM 0 HA SER A 55 -5.606 5.174 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.011 6.389 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.777 7.221 -4.276 1.00 0.00 H new ATOM 0 HG SER A 55 -4.197 6.996 -6.511 1.00 0.00 H new ATOM 878 N ALA A 56 -4.103 3.355 -5.422 1.00 0.00 N ATOM 879 CA ALA A 56 -4.218 2.139 -6.217 1.00 0.00 C ATOM 880 C ALA A 56 -4.730 0.978 -5.372 1.00 0.00 C ATOM 881 O ALA A 56 -5.626 0.243 -5.789 1.00 0.00 O ATOM 882 CB ALA A 56 -2.877 1.789 -6.843 1.00 0.00 C ATOM 0 H ALA A 56 -3.190 3.807 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.940 2.321 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.978 0.879 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.552 2.606 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.139 1.631 -6.057 1.00 0.00 H new ATOM 888 N ILE A 57 -4.155 0.817 -4.186 1.00 0.00 N ATOM 889 CA ILE A 57 -4.554 -0.256 -3.283 1.00 0.00 C ATOM 890 C ILE A 57 -6.055 -0.220 -3.016 1.00 0.00 C ATOM 891 O ILE A 57 -6.517 0.470 -2.107 1.00 0.00 O ATOM 892 CB ILE A 57 -3.802 -0.171 -1.941 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.293 -0.281 -2.169 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.282 -1.263 -0.996 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.471 0.084 -0.953 1.00 0.00 C ATOM 0 H ILE A 57 -3.411 1.416 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.298 -1.194 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.011 0.796 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.052 -1.301 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.010 0.369 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.742 -1.191 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.350 -1.143 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.099 -2.239 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.411 -0.017 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.683 1.114 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.726 -0.582 -0.128 1.00 0.00 H new ATOM 907 N SER A 58 -6.810 -0.968 -3.812 1.00 0.00 N ATOM 908 CA SER A 58 -8.260 -1.021 -3.663 1.00 0.00 C ATOM 909 C SER A 58 -8.651 -1.851 -2.444 1.00 0.00 C ATOM 910 O SER A 58 -9.544 -1.476 -1.683 1.00 0.00 O ATOM 911 CB SER A 58 -8.902 -1.608 -4.921 1.00 0.00 C ATOM 912 OG SER A 58 -10.313 -1.484 -4.879 1.00 0.00 O ATOM 0 H SER A 58 -6.442 -1.546 -4.567 1.00 0.00 H new ATOM 0 HA SER A 58 -8.623 -0.003 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.515 -1.097 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.629 -2.659 -5.016 1.00 0.00 H new ATOM 0 HG SER A 58 -10.699 -1.865 -5.695 1.00 0.00 H new ATOM 918 N THR A 59 -7.976 -2.982 -2.264 1.00 0.00 N ATOM 919 CA THR A 59 -8.252 -3.866 -1.140 1.00 0.00 C ATOM 920 C THR A 59 -7.104 -4.843 -0.913 1.00 0.00 C ATOM 921 O THR A 59 -6.563 -5.411 -1.862 1.00 0.00 O ATOM 922 CB THR A 59 -9.553 -4.662 -1.357 1.00 0.00 C ATOM 923 OG1 THR A 59 -10.091 -5.075 -0.096 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.301 -5.882 -2.231 1.00 0.00 C ATOM 0 H THR A 59 -7.234 -3.307 -2.883 1.00 0.00 H new ATOM 0 HA THR A 59 -8.365 -3.232 -0.261 1.00 0.00 H new ATOM 0 HB THR A 59 -10.270 -4.014 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.919 -5.579 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.234 -6.429 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.919 -5.562 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.569 -6.530 -1.749 1.00 0.00 H new ATOM 932 N VAL A 60 -6.736 -5.035 0.349 1.00 0.00 N ATOM 933 CA VAL A 60 -5.653 -5.945 0.700 1.00 0.00 C ATOM 934 C VAL A 60 -6.180 -7.165 1.448 1.00 0.00 C ATOM 935 O VAL A 60 -7.103 -7.059 2.256 1.00 0.00 O ATOM 936 CB VAL A 60 -4.590 -5.245 1.567 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.275 -6.009 1.522 1.00 0.00 C ATOM 938 CG2 VAL A 60 -4.395 -3.806 1.112 1.00 0.00 C ATOM 0 H VAL A 60 -7.172 -4.572 1.146 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.194 -6.266 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.940 -5.232 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.537 -5.499 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.428 -7.020 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.917 -6.056 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.640 -3.326 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.068 -3.794 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.337 -3.265 1.202 1.00 0.00 H new ATOM 948 N ARG A 61 -5.587 -8.322 1.174 1.00 0.00 N ATOM 949 CA ARG A 61 -5.998 -9.563 1.821 1.00 0.00 C ATOM 950 C ARG A 61 -4.815 -10.515 1.970 1.00 0.00 C ATOM 951 O ARG A 61 -3.827 -10.413 1.243 1.00 0.00 O ATOM 952 CB ARG A 61 -7.111 -10.237 1.018 1.00 0.00 C ATOM 953 CG ARG A 61 -6.673 -10.697 -0.363 1.00 0.00 C ATOM 954 CD ARG A 61 -7.842 -11.253 -1.162 1.00 0.00 C ATOM 955 NE ARG A 61 -8.240 -12.579 -0.698 1.00 0.00 N ATOM 956 CZ ARG A 61 -9.070 -12.784 0.318 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.587 -11.755 0.974 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.384 -14.022 0.681 1.00 0.00 N ATOM 0 H ARG A 61 -4.821 -8.426 0.509 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.374 -9.319 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.482 -11.096 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.944 -9.542 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.228 -9.861 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.901 -11.461 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.690 -10.572 -1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.569 -11.305 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.859 -13.393 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.348 -10.802 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.224 -11.916 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.988 -14.817 0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.022 -14.178 1.462 1.00 0.00 H new ATOM 972 N VAL A 62 -4.923 -11.440 2.918 1.00 0.00 N ATOM 973 CA VAL A 62 -3.863 -12.411 3.163 1.00 0.00 C ATOM 974 C VAL A 62 -3.968 -13.593 2.205 1.00 0.00 C ATOM 975 O VAL A 62 -5.065 -13.988 1.810 1.00 0.00 O ATOM 976 CB VAL A 62 -3.904 -12.934 4.611 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.562 -11.821 5.590 1.00 0.00 C ATOM 978 CG2 VAL A 62 -5.268 -13.530 4.924 1.00 0.00 C ATOM 0 H VAL A 62 -5.734 -11.538 3.529 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.917 -11.895 2.997 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.157 -13.721 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.596 -12.209 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.561 -11.445 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.284 -11.011 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.279 -13.895 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.036 -12.766 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.468 -14.357 4.243 1.00 0.00 H new ATOM 988 N GLN A 63 -2.821 -14.153 1.836 1.00 0.00 N ATOM 989 CA GLN A 63 -2.784 -15.289 0.924 1.00 0.00 C ATOM 990 C GLN A 63 -2.335 -16.554 1.648 1.00 0.00 C ATOM 991 O GLN A 63 -1.533 -16.497 2.580 1.00 0.00 O ATOM 992 CB GLN A 63 -1.847 -14.999 -0.249 1.00 0.00 C ATOM 993 CG GLN A 63 -2.343 -13.891 -1.164 1.00 0.00 C ATOM 994 CD GLN A 63 -1.481 -13.725 -2.400 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.280 -13.470 -2.304 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.090 -13.869 -3.571 1.00 0.00 N ATOM 0 H GLN A 63 -1.905 -13.838 2.155 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.793 -15.449 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.866 -14.726 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.717 -15.910 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.368 -14.106 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.365 -12.951 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.087 -14.080 -3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.561 -13.768 -4.437 1.00 0.00 H new ATOM 1005 N GLY A 64 -2.858 -17.697 1.213 1.00 0.00 N ATOM 1006 CA GLY A 64 -2.498 -18.960 1.832 1.00 0.00 C ATOM 1007 C GLY A 64 -1.055 -18.990 2.294 1.00 0.00 C ATOM 1008 O GLY A 64 -0.779 -18.948 3.493 1.00 0.00 O ATOM 0 H GLY A 64 -3.524 -17.771 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.153 -19.143 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.666 -19.770 1.122 1.00 0.00 H new ATOM 1012 N ASP A 65 -0.132 -19.063 1.341 1.00 0.00 N ATOM 1013 CA ASP A 65 1.291 -19.099 1.656 1.00 0.00 C ATOM 1014 C ASP A 65 1.691 -17.894 2.501 1.00 0.00 C ATOM 1015 O ASP A 65 0.850 -17.075 2.869 1.00 0.00 O ATOM 1016 CB ASP A 65 2.119 -19.134 0.370 1.00 0.00 C ATOM 1017 CG ASP A 65 3.476 -19.779 0.573 1.00 0.00 C ATOM 1018 OD1 ASP A 65 3.553 -21.024 0.529 1.00 0.00 O ATOM 1019 OD2 ASP A 65 4.461 -19.038 0.776 1.00 0.00 O ATOM 0 H ASP A 65 -0.344 -19.098 0.344 1.00 0.00 H new ATOM 0 HA ASP A 65 1.488 -20.004 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.571 -19.681 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.255 -18.117 0.001 1.00 0.00 H new ATOM 1024 N ASN A 66 2.981 -17.793 2.805 1.00 0.00 N ATOM 1025 CA ASN A 66 3.493 -16.689 3.609 1.00 0.00 C ATOM 1026 C ASN A 66 3.579 -15.409 2.783 1.00 0.00 C ATOM 1027 O ASN A 66 4.624 -14.762 2.727 1.00 0.00 O ATOM 1028 CB ASN A 66 4.871 -17.038 4.174 1.00 0.00 C ATOM 1029 CG ASN A 66 4.849 -18.301 5.013 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.808 -18.690 5.542 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.002 -18.948 5.138 1.00 0.00 N ATOM 0 H ASN A 66 3.691 -18.462 2.507 1.00 0.00 H new ATOM 0 HA ASN A 66 2.801 -16.522 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.576 -17.163 3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.233 -16.208 4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.049 -19.804 5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.840 -18.589 4.682 1.00 0.00 H new ATOM 1038 N LYS A 67 2.472 -15.050 2.142 1.00 0.00 N ATOM 1039 CA LYS A 67 2.419 -13.847 1.320 1.00 0.00 C ATOM 1040 C LYS A 67 1.046 -13.189 1.405 1.00 0.00 C ATOM 1041 O LYS A 67 0.114 -13.747 1.984 1.00 0.00 O ATOM 1042 CB LYS A 67 2.745 -14.185 -0.137 1.00 0.00 C ATOM 1043 CG LYS A 67 4.007 -15.014 -0.302 1.00 0.00 C ATOM 1044 CD LYS A 67 4.257 -15.366 -1.758 1.00 0.00 C ATOM 1045 CE LYS A 67 3.444 -16.578 -2.186 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.177 -17.852 -1.943 1.00 0.00 N ATOM 0 H LYS A 67 1.599 -15.576 2.176 1.00 0.00 H new ATOM 0 HA LYS A 67 3.162 -13.146 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.905 -14.727 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.853 -13.258 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.860 -14.461 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.922 -15.929 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.002 -14.514 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.318 -15.567 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.500 -16.593 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.200 -16.496 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.583 -18.655 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.058 -17.857 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.403 -17.935 -0.931 1.00 0.00 H new ATOM 1060 N PHE A 68 0.927 -11.999 0.824 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.333 -11.266 0.834 1.00 0.00 C ATOM 1062 C PHE A 68 -0.653 -10.716 -0.553 1.00 0.00 C ATOM 1063 O PHE A 68 0.239 -10.530 -1.379 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.272 -10.121 1.847 1.00 0.00 C ATOM 1065 CG PHE A 68 0.874 -9.177 1.618 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.164 -9.533 1.975 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.660 -7.933 1.045 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.221 -8.667 1.765 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.713 -7.064 0.832 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.994 -7.430 1.193 1.00 0.00 C ATOM 0 H PHE A 68 1.688 -11.522 0.341 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.125 -11.957 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.207 -9.561 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.193 -10.539 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.346 -10.499 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.340 -7.640 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.222 -8.957 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.534 -6.098 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.817 -6.751 1.029 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.934 -10.460 -0.800 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.373 -9.934 -2.087 1.00 0.00 C ATOM 1082 C GLU A 69 -2.694 -8.445 -1.985 1.00 0.00 C ATOM 1083 O GLU A 69 -3.389 -8.010 -1.067 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.602 -10.699 -2.584 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.723 -10.738 -4.098 1.00 0.00 C ATOM 1086 CD GLU A 69 -5.159 -10.875 -4.565 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.673 -12.013 -4.578 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -5.768 -9.843 -4.918 1.00 0.00 O ATOM 0 H GLU A 69 -2.685 -10.608 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.560 -10.065 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.562 -11.720 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.498 -10.239 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.294 -9.828 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.138 -11.573 -4.484 1.00 0.00 H new ATOM 1095 N VAL A 70 -2.181 -7.669 -2.935 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.413 -6.230 -2.953 1.00 0.00 C ATOM 1097 C VAL A 70 -3.152 -5.809 -4.218 1.00 0.00 C ATOM 1098 O VAL A 70 -2.545 -5.619 -5.272 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.089 -5.447 -2.861 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.333 -3.960 -3.064 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.409 -5.707 -1.526 1.00 0.00 C ATOM 0 H VAL A 70 -1.602 -8.013 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.026 -5.997 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.426 -5.793 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.387 -3.423 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.774 -3.794 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.014 -3.595 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.525 -5.146 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.065 -5.390 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.198 -6.772 -1.426 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.469 -5.663 -4.106 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.293 -5.262 -5.240 1.00 0.00 C ATOM 1113 C VAL A 71 -5.054 -3.801 -5.604 1.00 0.00 C ATOM 1114 O VAL A 71 -5.239 -2.905 -4.779 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.791 -5.468 -4.947 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.625 -5.149 -6.178 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -7.049 -6.890 -4.471 1.00 0.00 C ATOM 0 H VAL A 71 -4.988 -5.817 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.004 -5.895 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.086 -4.784 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.680 -5.300 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.462 -4.111 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.332 -5.806 -6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.112 -7.019 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.739 -7.594 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.481 -7.077 -3.560 1.00 0.00 H new ATOM 1127 N THR A 72 -4.641 -3.566 -6.846 1.00 0.00 N ATOM 1128 CA THR A 72 -4.376 -2.213 -7.320 1.00 0.00 C ATOM 1129 C THR A 72 -5.342 -1.821 -8.432 1.00 0.00 C ATOM 1130 O THR A 72 -6.222 -2.596 -8.807 1.00 0.00 O ATOM 1131 CB THR A 72 -2.932 -2.072 -7.837 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.701 -3.000 -8.903 1.00 0.00 O ATOM 1133 CG2 THR A 72 -1.930 -2.317 -6.718 1.00 0.00 C ATOM 0 H THR A 72 -4.483 -4.295 -7.542 1.00 0.00 H new ATOM 0 HA THR A 72 -4.516 -1.547 -6.469 1.00 0.00 H new ATOM 0 HB THR A 72 -2.799 -1.055 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.960 -3.595 -8.664 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.917 -2.212 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.090 -1.591 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.064 -3.324 -6.323 1.00 0.00 H new ATOM 1141 N THR A 73 -5.173 -0.611 -8.957 1.00 0.00 N ATOM 1142 CA THR A 73 -6.030 -0.115 -10.026 1.00 0.00 C ATOM 1143 C THR A 73 -5.565 -0.624 -11.385 1.00 0.00 C ATOM 1144 O THR A 73 -6.357 -0.737 -12.320 1.00 0.00 O ATOM 1145 CB THR A 73 -6.064 1.424 -10.051 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.322 1.879 -10.563 1.00 0.00 O ATOM 1147 CG2 THR A 73 -4.933 1.977 -10.906 1.00 0.00 C ATOM 0 H THR A 73 -4.450 0.043 -8.659 1.00 0.00 H new ATOM 0 HA THR A 73 -7.034 -0.490 -9.825 1.00 0.00 H new ATOM 0 HB THR A 73 -5.936 1.784 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.336 2.859 -10.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.978 3.066 -10.908 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.976 1.654 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.034 1.607 -11.926 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.275 -0.930 -11.487 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.705 -1.427 -12.734 1.00 0.00 C ATOM 1157 C GLN A 74 -3.717 -2.952 -12.768 1.00 0.00 C ATOM 1158 O GLN A 74 -4.422 -3.559 -13.574 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.275 -0.912 -12.906 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.033 0.440 -12.256 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.600 0.913 -12.408 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.331 0.108 -12.436 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -0.416 2.224 -12.506 1.00 0.00 N ATOM 0 H GLN A 74 -3.606 -0.843 -10.722 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.318 -1.059 -13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.582 -1.639 -12.482 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.049 -0.840 -13.970 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.704 1.177 -12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.281 0.379 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.217 2.855 -12.478 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.526 2.600 -12.609 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.932 -3.565 -11.888 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.851 -5.019 -11.819 1.00 0.00 C ATOM 1174 C ARG A 75 -2.430 -5.474 -10.424 1.00 0.00 C ATOM 1175 O ARG A 75 -1.381 -5.074 -9.918 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.861 -5.546 -12.859 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.418 -5.548 -12.382 1.00 0.00 C ATOM 1178 CD ARG A 75 0.554 -5.647 -13.547 1.00 0.00 C ATOM 1179 NE ARG A 75 0.722 -7.024 -14.003 1.00 0.00 N ATOM 1180 CZ ARG A 75 1.241 -7.349 -15.182 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.641 -6.402 -16.018 1.00 0.00 N ATOM 1182 NH2 ARG A 75 1.362 -8.625 -15.525 1.00 0.00 N ATOM 0 H ARG A 75 -2.343 -3.077 -11.213 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.841 -5.424 -12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.144 -6.561 -13.136 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.936 -4.937 -13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.219 -4.637 -11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.260 -6.385 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.194 -5.033 -14.373 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.521 -5.244 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 75 0.425 -7.777 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.551 -5.420 -15.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.039 -6.655 -16.922 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.056 -9.357 -14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.760 -8.874 -16.430 1.00 0.00 H new ATOM 1196 N THR A 76 -3.256 -6.313 -9.807 1.00 0.00 N ATOM 1197 CA THR A 76 -2.971 -6.822 -8.471 1.00 0.00 C ATOM 1198 C THR A 76 -1.514 -7.253 -8.346 1.00 0.00 C ATOM 1199 O THR A 76 -0.964 -7.887 -9.247 1.00 0.00 O ATOM 1200 CB THR A 76 -3.880 -8.015 -8.119 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.251 -7.667 -8.338 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.683 -8.435 -6.670 1.00 0.00 C ATOM 0 H THR A 76 -4.128 -6.655 -10.211 1.00 0.00 H new ATOM 0 HA THR A 76 -3.167 -6.007 -7.774 1.00 0.00 H new ATOM 0 HB THR A 76 -3.611 -8.852 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.822 -8.431 -8.114 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.335 -9.279 -6.444 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.644 -8.727 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.928 -7.601 -6.013 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.894 -6.906 -7.224 1.00 0.00 N ATOM 1211 CA PHE A 77 0.500 -7.258 -6.981 1.00 0.00 C ATOM 1212 C PHE A 77 0.615 -8.289 -5.862 1.00 0.00 C ATOM 1213 O PHE A 77 -0.186 -8.298 -4.927 1.00 0.00 O ATOM 1214 CB PHE A 77 1.308 -6.009 -6.623 1.00 0.00 C ATOM 1215 CG PHE A 77 1.445 -5.037 -7.759 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.945 -5.448 -8.984 1.00 0.00 C ATOM 1217 CD2 PHE A 77 1.072 -3.711 -7.603 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.072 -4.555 -10.031 1.00 0.00 C ATOM 1219 CE2 PHE A 77 1.197 -2.814 -8.647 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.696 -3.237 -9.863 1.00 0.00 C ATOM 0 H PHE A 77 -1.334 -6.381 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 77 0.903 -7.694 -7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.831 -5.507 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.302 -6.311 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.239 -6.478 -9.122 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.679 -3.375 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.465 -4.888 -10.980 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.905 -1.783 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.792 -2.538 -10.681 1.00 0.00 H new ATOM 1230 N VAL A 78 1.615 -9.158 -5.966 1.00 0.00 N ATOM 1231 CA VAL A 78 1.836 -10.194 -4.964 1.00 0.00 C ATOM 1232 C VAL A 78 3.192 -10.025 -4.288 1.00 0.00 C ATOM 1233 O VAL A 78 4.234 -10.285 -4.890 1.00 0.00 O ATOM 1234 CB VAL A 78 1.755 -11.601 -5.584 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.151 -12.658 -4.564 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.357 -11.866 -6.123 1.00 0.00 C ATOM 0 H VAL A 78 2.286 -9.165 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 78 1.047 -10.088 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 78 2.457 -11.653 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.088 -13.646 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.173 -12.477 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.477 -12.609 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.318 -12.865 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.366 -11.795 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.116 -11.128 -6.888 1.00 0.00 H new ATOM 1246 N PHE A 79 3.172 -9.589 -3.033 1.00 0.00 N ATOM 1247 CA PHE A 79 4.400 -9.385 -2.275 1.00 0.00 C ATOM 1248 C PHE A 79 4.618 -10.518 -1.276 1.00 0.00 C ATOM 1249 O PHE A 79 3.665 -11.044 -0.701 1.00 0.00 O ATOM 1250 CB PHE A 79 4.354 -8.044 -1.539 1.00 0.00 C ATOM 1251 CG PHE A 79 4.566 -6.860 -2.438 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.831 -6.546 -2.907 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.499 -6.059 -2.814 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.029 -5.457 -3.734 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.691 -4.969 -3.641 1.00 0.00 C ATOM 1256 CZ PHE A 79 4.958 -4.667 -4.101 1.00 0.00 C ATOM 0 H PHE A 79 2.318 -9.370 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 79 5.233 -9.378 -2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.389 -7.944 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.116 -8.040 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.673 -7.160 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.506 -6.290 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.021 -5.224 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.851 -4.354 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.110 -3.815 -4.746 1.00 0.00 H new ATOM 1266 N ARG A 80 5.878 -10.890 -1.077 1.00 0.00 N ATOM 1267 CA ARG A 80 6.222 -11.961 -0.150 1.00 0.00 C ATOM 1268 C ARG A 80 7.084 -11.436 0.993 1.00 0.00 C ATOM 1269 O ARG A 80 7.891 -10.524 0.808 1.00 0.00 O ATOM 1270 CB ARG A 80 6.958 -13.083 -0.885 1.00 0.00 C ATOM 1271 CG ARG A 80 7.762 -13.988 0.035 1.00 0.00 C ATOM 1272 CD ARG A 80 8.271 -15.218 -0.700 1.00 0.00 C ATOM 1273 NE ARG A 80 9.210 -14.871 -1.763 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.649 -15.739 -2.668 1.00 0.00 C ATOM 1275 NH1 ARG A 80 9.236 -16.999 -2.639 1.00 0.00 N ATOM 1276 NH2 ARG A 80 10.503 -15.348 -3.605 1.00 0.00 N ATOM 0 H ARG A 80 6.678 -10.465 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 80 5.296 -12.356 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.232 -13.686 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.627 -12.644 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.605 -13.434 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.142 -14.296 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.757 -15.888 0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.427 -15.761 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 80 9.547 -13.910 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.579 -17.304 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.575 -17.663 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.823 -14.380 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.839 -16.015 -4.299 1.00 0.00 H new ATOM 1290 N VAL A 81 6.909 -12.017 2.176 1.00 0.00 N ATOM 1291 CA VAL A 81 7.671 -11.608 3.350 1.00 0.00 C ATOM 1292 C VAL A 81 8.670 -12.684 3.758 1.00 0.00 C ATOM 1293 O VAL A 81 8.707 -13.765 3.172 1.00 0.00 O ATOM 1294 CB VAL A 81 6.745 -11.303 4.542 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.980 -10.009 4.308 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.788 -12.461 4.783 1.00 0.00 C ATOM 0 H VAL A 81 6.246 -12.773 2.347 1.00 0.00 H new ATOM 0 HA VAL A 81 8.210 -10.701 3.078 1.00 0.00 H new ATOM 0 HB VAL A 81 7.360 -11.177 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.331 -9.811 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.685 -9.186 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.375 -10.102 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.141 -12.228 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.179 -12.621 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.358 -13.365 5.000 1.00 0.00 H new ATOM 1306 N GLU A 82 9.480 -12.380 4.768 1.00 0.00 N ATOM 1307 CA GLU A 82 10.480 -13.322 5.255 1.00 0.00 C ATOM 1308 C GLU A 82 9.991 -14.033 6.513 1.00 0.00 C ATOM 1309 O GLU A 82 10.471 -15.114 6.856 1.00 0.00 O ATOM 1310 CB GLU A 82 11.797 -12.598 5.544 1.00 0.00 C ATOM 1311 CG GLU A 82 12.818 -13.458 6.269 1.00 0.00 C ATOM 1312 CD GLU A 82 13.994 -12.654 6.788 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.738 -12.088 5.961 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.170 -12.592 8.023 1.00 0.00 O ATOM 0 H GLU A 82 9.463 -11.489 5.264 1.00 0.00 H new ATOM 0 HA GLU A 82 10.647 -14.069 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.227 -12.254 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.590 -11.711 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.333 -13.966 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.182 -14.232 5.593 1.00 0.00 H new ATOM 1321 N LYS A 83 9.034 -13.418 7.199 1.00 0.00 N ATOM 1322 CA LYS A 83 8.478 -13.990 8.419 1.00 0.00 C ATOM 1323 C LYS A 83 6.961 -13.833 8.452 1.00 0.00 C ATOM 1324 O LYS A 83 6.422 -12.829 7.987 1.00 0.00 O ATOM 1325 CB LYS A 83 9.097 -13.321 9.649 1.00 0.00 C ATOM 1326 CG LYS A 83 10.542 -13.719 9.894 1.00 0.00 C ATOM 1327 CD LYS A 83 10.638 -15.038 10.642 1.00 0.00 C ATOM 1328 CE LYS A 83 10.416 -14.850 12.135 1.00 0.00 C ATOM 1329 NZ LYS A 83 10.932 -16.004 12.923 1.00 0.00 N ATOM 0 H LYS A 83 8.627 -12.522 6.930 1.00 0.00 H new ATOM 0 HA LYS A 83 8.716 -15.054 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.042 -12.239 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.505 -13.576 10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.064 -13.801 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.043 -12.938 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.899 -15.735 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.618 -15.483 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.911 -13.936 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.351 -14.724 12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.762 -15.837 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.442 -16.873 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.953 -16.109 12.757 1.00 0.00 H new ATOM 1343 N GLU A 84 6.279 -14.830 9.006 1.00 0.00 N ATOM 1344 CA GLU A 84 4.824 -14.801 9.099 1.00 0.00 C ATOM 1345 C GLU A 84 4.343 -13.478 9.688 1.00 0.00 C ATOM 1346 O GLU A 84 3.354 -12.906 9.231 1.00 0.00 O ATOM 1347 CB GLU A 84 4.322 -15.965 9.956 1.00 0.00 C ATOM 1348 CG GLU A 84 2.867 -16.323 9.704 1.00 0.00 C ATOM 1349 CD GLU A 84 2.553 -17.767 10.045 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.800 -18.171 11.200 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.061 -18.492 9.155 1.00 0.00 O ATOM 0 H GLU A 84 6.710 -15.668 9.397 1.00 0.00 H new ATOM 0 HA GLU A 84 4.419 -14.900 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.942 -16.841 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.448 -15.711 11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.228 -15.667 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.628 -16.141 8.656 1.00 0.00 H new ATOM 1358 N GLU A 85 5.051 -12.998 10.706 1.00 0.00 N ATOM 1359 CA GLU A 85 4.696 -11.743 11.359 1.00 0.00 C ATOM 1360 C GLU A 85 4.638 -10.602 10.348 1.00 0.00 C ATOM 1361 O GLU A 85 3.605 -9.954 10.187 1.00 0.00 O ATOM 1362 CB GLU A 85 5.704 -11.413 12.462 1.00 0.00 C ATOM 1363 CG GLU A 85 5.777 -12.466 13.555 1.00 0.00 C ATOM 1364 CD GLU A 85 6.487 -11.967 14.799 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.705 -11.705 14.723 1.00 0.00 O ATOM 1366 OE2 GLU A 85 5.822 -11.838 15.848 1.00 0.00 O ATOM 0 H GLU A 85 5.873 -13.459 11.096 1.00 0.00 H new ATOM 0 HA GLU A 85 3.708 -11.861 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.692 -11.295 12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.440 -10.455 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.767 -12.781 13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.296 -13.345 13.173 1.00 0.00 H new ATOM 1373 N GLU A 86 5.757 -10.362 9.671 1.00 0.00 N ATOM 1374 CA GLU A 86 5.834 -9.297 8.677 1.00 0.00 C ATOM 1375 C GLU A 86 4.581 -9.273 7.807 1.00 0.00 C ATOM 1376 O GLU A 86 4.084 -8.207 7.444 1.00 0.00 O ATOM 1377 CB GLU A 86 7.074 -9.478 7.800 1.00 0.00 C ATOM 1378 CG GLU A 86 8.370 -9.081 8.488 1.00 0.00 C ATOM 1379 CD GLU A 86 9.597 -9.592 7.759 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.932 -9.032 6.694 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.224 -10.552 8.254 1.00 0.00 O ATOM 0 H GLU A 86 6.621 -10.890 9.792 1.00 0.00 H new ATOM 0 HA GLU A 86 5.906 -8.346 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.141 -10.521 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.957 -8.884 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.421 -7.995 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.370 -9.468 9.507 1.00 0.00 H new ATOM 1388 N ARG A 87 4.075 -10.457 7.476 1.00 0.00 N ATOM 1389 CA ARG A 87 2.881 -10.573 6.647 1.00 0.00 C ATOM 1390 C ARG A 87 1.764 -9.677 7.174 1.00 0.00 C ATOM 1391 O ARG A 87 1.278 -8.794 6.469 1.00 0.00 O ATOM 1392 CB ARG A 87 2.405 -12.026 6.602 1.00 0.00 C ATOM 1393 CG ARG A 87 1.336 -12.284 5.553 1.00 0.00 C ATOM 1394 CD ARG A 87 0.437 -13.445 5.947 1.00 0.00 C ATOM 1395 NE ARG A 87 1.179 -14.698 6.060 1.00 0.00 N ATOM 1396 CZ ARG A 87 0.634 -15.842 6.458 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.651 -15.891 6.780 1.00 0.00 N ATOM 1398 NH2 ARG A 87 1.375 -16.940 6.536 1.00 0.00 N ATOM 0 H ARG A 87 4.473 -11.349 7.769 1.00 0.00 H new ATOM 0 HA ARG A 87 3.137 -10.250 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.259 -12.673 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.015 -12.302 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.734 -11.386 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.809 -12.498 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.046 -13.223 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.355 -13.558 5.206 1.00 0.00 H new ATOM 0 HE ARG A 87 2.170 -14.694 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.224 -15.049 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.067 -16.771 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.364 -16.906 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.955 -17.818 6.842 1.00 0.00 H new ATOM 1412 N ASN A 88 1.363 -9.911 8.419 1.00 0.00 N ATOM 1413 CA ASN A 88 0.302 -9.126 9.041 1.00 0.00 C ATOM 1414 C ASN A 88 0.707 -7.659 9.154 1.00 0.00 C ATOM 1415 O ASN A 88 -0.088 -6.762 8.872 1.00 0.00 O ATOM 1416 CB ASN A 88 -0.029 -9.684 10.427 1.00 0.00 C ATOM 1417 CG ASN A 88 -0.622 -11.078 10.362 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -1.840 -11.244 10.300 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.240 -12.089 10.376 1.00 0.00 N ATOM 0 H ASN A 88 1.756 -10.637 9.017 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.584 -9.193 8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.877 -9.705 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.731 -9.016 10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.100 -13.050 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.242 -11.904 10.428 1.00 0.00 H new ATOM 1426 N ASP A 89 1.947 -7.423 9.569 1.00 0.00 N ATOM 1427 CA ASP A 89 2.458 -6.066 9.718 1.00 0.00 C ATOM 1428 C ASP A 89 2.169 -5.236 8.471 1.00 0.00 C ATOM 1429 O ASP A 89 1.352 -4.316 8.501 1.00 0.00 O ATOM 1430 CB ASP A 89 3.962 -6.092 9.991 1.00 0.00 C ATOM 1431 CG ASP A 89 4.419 -4.915 10.830 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.969 -4.803 11.990 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.225 -4.104 10.327 1.00 0.00 O ATOM 0 H ASP A 89 2.617 -8.154 9.808 1.00 0.00 H new ATOM 0 HA ASP A 89 1.951 -5.604 10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.220 -7.020 10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.500 -6.090 9.043 1.00 0.00 H new ATOM 1438 N TRP A 90 2.844 -5.568 7.377 1.00 0.00 N ATOM 1439 CA TRP A 90 2.661 -4.852 6.119 1.00 0.00 C ATOM 1440 C TRP A 90 1.192 -4.507 5.898 1.00 0.00 C ATOM 1441 O TRP A 90 0.825 -3.334 5.825 1.00 0.00 O ATOM 1442 CB TRP A 90 3.181 -5.691 4.951 1.00 0.00 C ATOM 1443 CG TRP A 90 4.662 -5.574 4.748 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.603 -6.527 5.012 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.370 -4.437 4.241 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.854 -6.052 4.699 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.738 -4.772 4.224 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.981 -3.170 3.799 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.716 -3.885 3.782 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.953 -2.290 3.361 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.307 -2.651 3.355 1.00 0.00 C ATOM 0 H TRP A 90 3.523 -6.328 7.335 1.00 0.00 H new ATOM 0 HA TRP A 90 3.229 -3.923 6.172 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.927 -6.737 5.123 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.671 -5.385 4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.395 -7.510 5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.727 -6.569 4.803 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.940 -2.883 3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.760 -4.161 3.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.664 -1.308 3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.042 -1.941 3.006 1.00 0.00 H new ATOM 1462 N ILE A 91 0.357 -5.535 5.794 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.072 -5.339 5.583 1.00 0.00 C ATOM 1464 C ILE A 91 -1.614 -4.234 6.484 1.00 0.00 C ATOM 1465 O ILE A 91 -2.020 -3.174 6.009 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.863 -6.634 5.844 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.420 -7.732 4.876 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.357 -6.378 5.715 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.111 -9.058 5.108 1.00 0.00 C ATOM 0 H ILE A 91 0.645 -6.512 5.852 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.200 -5.050 4.540 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.658 -6.968 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.614 -7.404 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.343 -7.872 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.902 -7.303 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.661 -5.624 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.580 -6.023 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.748 -9.789 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.897 -9.408 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.187 -8.933 4.988 1.00 0.00 H new ATOM 1481 N SER A 92 -1.617 -4.491 7.788 1.00 0.00 N ATOM 1482 CA SER A 92 -2.111 -3.519 8.757 1.00 0.00 C ATOM 1483 C SER A 92 -1.772 -2.097 8.322 1.00 0.00 C ATOM 1484 O SER A 92 -2.659 -1.261 8.147 1.00 0.00 O ATOM 1485 CB SER A 92 -1.515 -3.797 10.139 1.00 0.00 C ATOM 1486 OG SER A 92 -1.769 -5.131 10.545 1.00 0.00 O ATOM 0 H SER A 92 -1.283 -5.363 8.198 1.00 0.00 H new ATOM 0 HA SER A 92 -3.195 -3.615 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.440 -3.619 10.117 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.938 -3.105 10.867 1.00 0.00 H new ATOM 0 HG SER A 92 -1.136 -5.734 10.102 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.482 -1.830 8.148 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.025 -0.509 7.732 1.00 0.00 C ATOM 1494 C ILE A 93 -0.848 0.013 6.560 1.00 0.00 C ATOM 1495 O ILE A 93 -1.367 1.129 6.600 1.00 0.00 O ATOM 1496 CB ILE A 93 1.463 -0.529 7.332 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.341 -0.766 8.562 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.843 0.775 6.646 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.787 -1.056 8.226 1.00 0.00 C ATOM 0 H ILE A 93 0.265 -2.510 8.288 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.154 0.154 8.587 1.00 0.00 H new ATOM 0 HB ILE A 93 1.625 -1.347 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.295 0.112 9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.935 -1.601 9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.897 0.747 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.236 0.905 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.669 1.608 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.350 -1.213 9.146 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.844 -1.952 7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.210 -0.212 7.682 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.965 -0.801 5.517 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.728 -0.423 4.333 1.00 0.00 C ATOM 1513 C LEU A 94 -3.179 -0.121 4.693 1.00 0.00 C ATOM 1514 O LEU A 94 -3.706 0.940 4.355 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.671 -1.538 3.287 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.280 -2.082 2.961 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.385 -3.390 2.192 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.521 -1.058 2.170 1.00 0.00 C ATOM 0 H LEU A 94 -0.541 -1.727 5.467 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.281 0.480 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.291 -2.365 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.119 -1.167 2.365 1.00 0.00 H new ATOM 0 HG LEU A 94 0.242 -2.277 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.615 -3.762 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.919 -4.124 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.926 -3.222 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.508 -1.462 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.003 -0.831 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.627 -0.146 2.758 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.819 -1.058 5.382 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.210 -0.892 5.791 1.00 0.00 C ATOM 1532 C LEU A 95 -5.407 0.430 6.525 1.00 0.00 C ATOM 1533 O LEU A 95 -6.372 1.151 6.277 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.641 -2.055 6.686 1.00 0.00 C ATOM 1535 CG LEU A 95 -6.216 -3.277 5.969 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.412 -4.426 6.946 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.530 -2.925 5.286 1.00 0.00 C ATOM 0 H LEU A 95 -3.398 -1.941 5.670 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.829 -0.884 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.779 -2.375 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.387 -1.688 7.391 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.506 -3.594 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.822 -5.287 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.453 -4.695 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.102 -4.121 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.925 -3.806 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.247 -2.582 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.360 -2.134 4.556 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.484 0.743 7.429 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.556 1.980 8.199 1.00 0.00 C ATOM 1551 C ASN A 96 -4.377 3.195 7.293 1.00 0.00 C ATOM 1552 O ASN A 96 -5.027 4.222 7.481 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.489 1.985 9.295 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.862 2.880 10.461 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.789 3.686 10.367 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.140 2.743 11.567 1.00 0.00 N ATOM 0 H ASN A 96 -3.678 0.157 7.646 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.542 2.035 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.338 0.968 9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.541 2.318 8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.344 3.319 12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.381 2.062 11.600 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.491 3.068 6.311 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.228 4.154 5.375 1.00 0.00 C ATOM 1565 C ALA A 97 -4.454 4.448 4.517 1.00 0.00 C ATOM 1566 O ALA A 97 -4.649 5.575 4.059 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.034 3.815 4.495 1.00 0.00 C ATOM 0 H ALA A 97 -2.943 2.224 6.143 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.997 5.050 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.849 4.635 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.154 3.663 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.243 2.904 3.933 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.278 3.428 4.302 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.486 3.577 3.497 1.00 0.00 C ATOM 1575 C LEU A 98 -7.546 4.374 4.250 1.00 0.00 C ATOM 1576 O LEU A 98 -8.169 5.279 3.694 1.00 0.00 O ATOM 1577 CB LEU A 98 -7.039 2.203 3.114 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.302 1.471 1.993 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.745 0.018 1.922 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -6.533 2.167 0.659 1.00 0.00 C ATOM 0 H LEU A 98 -5.132 2.489 4.674 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.225 4.122 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.030 1.570 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.081 2.323 2.818 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.234 1.493 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.209 -0.487 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.527 -0.476 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.817 -0.027 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.001 1.632 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.599 2.177 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.164 3.191 0.714 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.745 4.033 5.518 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.728 4.718 6.350 1.00 0.00 C ATOM 1594 C LYS A 99 -8.280 6.143 6.660 1.00 0.00 C ATOM 1595 O LYS A 99 -9.095 7.063 6.709 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.950 3.947 7.653 1.00 0.00 C ATOM 1597 CG LYS A 99 -7.929 4.268 8.731 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.337 3.688 10.075 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.241 2.170 10.079 1.00 0.00 C ATOM 1600 NZ LYS A 99 -6.890 1.700 10.491 1.00 0.00 N ATOM 0 H LYS A 99 -7.238 3.286 5.993 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.666 4.763 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.948 4.169 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.920 2.878 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.956 3.870 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.818 5.349 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.698 4.096 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.358 3.990 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.990 1.761 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.470 1.789 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.568 0.956 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.222 2.497 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.935 1.319 11.457 1.00 0.00 H new ATOM 1614 N SER A 100 -6.978 6.317 6.868 1.00 0.00 N ATOM 1615 CA SER A 100 -6.422 7.629 7.175 1.00 0.00 C ATOM 1616 C SER A 100 -6.893 8.669 6.163 1.00 0.00 C ATOM 1617 O SER A 100 -7.255 9.787 6.529 1.00 0.00 O ATOM 1618 CB SER A 100 -4.894 7.569 7.188 1.00 0.00 C ATOM 1619 OG SER A 100 -4.427 6.670 8.179 1.00 0.00 O ATOM 0 H SER A 100 -6.289 5.566 6.829 1.00 0.00 H new ATOM 0 HA SER A 100 -6.775 7.923 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.531 7.256 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.490 8.564 7.375 1.00 0.00 H new ATOM 0 HG SER A 100 -4.462 5.754 7.833 1.00 0.00 H new