USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 Single : A 14 TYR OH : rot 170:sc= -1.61! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ -102:sc= -1.11 (180deg=-2.64!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0345 K(o=-0.034,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-3.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3.4!) USER MOD Single : A 59 MET CE :methyl 146:sc= -6.37! (180deg=-9.82!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -135:sc= -2.46! (180deg=-6.12!) USER MOD Single : A 65 SER OG : rot -41:sc= 0.0393 USER MOD Single : A 70 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.064) USER MOD Single : A 71 TYR OH : rot 180:sc= -2.2! USER MOD Single : A 72 TYR OH : rot -20:sc= -0.209 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -1.27 (180deg=-1.78) USER MOD Single : A 75 ASN : amide:sc= 0.792 K(o=0.79,f=-0.038) USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0256 (180deg=-0.204) USER MOD Single : A 83 GLN : amide:sc= -0.249 K(o=-0.25,f=-4.3!) USER MOD Single : A 90 MET CE :methyl -132:sc= 0 (180deg=-0.0137) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -9.582 11.246 11.979 1.00 0.00 N ATOM 102 CA LEU A 10 -8.133 11.105 11.890 1.00 0.00 C ATOM 103 C LEU A 10 -7.744 10.223 10.707 1.00 0.00 C ATOM 104 O LEU A 10 -8.327 9.159 10.494 1.00 0.00 O ATOM 105 CB LEU A 10 -7.578 10.512 13.186 1.00 0.00 C ATOM 106 CG LEU A 10 -7.516 11.460 14.385 1.00 0.00 C ATOM 107 CD1 LEU A 10 -6.751 12.724 14.027 1.00 0.00 C ATOM 108 CD2 LEU A 10 -8.919 11.801 14.867 1.00 0.00 C ATOM 0 HA LEU A 10 -7.705 12.096 11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.189 9.652 13.459 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.573 10.139 12.990 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.987 10.958 15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.717 13.386 14.892 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.735 12.463 13.730 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.251 13.231 13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.856 12.476 15.720 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.473 12.284 14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.434 10.887 15.164 1.00 0.00 H new ATOM 120 N LEU A 11 -6.754 10.671 9.942 1.00 0.00 N ATOM 121 CA LEU A 11 -6.285 9.922 8.782 1.00 0.00 C ATOM 122 C LEU A 11 -5.679 8.587 9.204 1.00 0.00 C ATOM 123 O LEU A 11 -6.241 7.526 8.933 1.00 0.00 O ATOM 124 CB LEU A 11 -5.253 10.741 8.005 1.00 0.00 C ATOM 125 CG LEU A 11 -4.307 9.947 7.103 1.00 0.00 C ATOM 126 CD1 LEU A 11 -5.096 9.083 6.131 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.376 10.885 6.350 1.00 0.00 C ATOM 0 H LEU A 11 -6.261 11.549 10.104 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.142 9.723 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.784 11.468 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.653 11.305 8.720 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.702 9.293 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.406 8.525 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.721 8.386 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.727 9.718 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.710 10.303 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.965 11.565 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.785 11.461 7.063 1.00 0.00 H new ATOM 139 N TRP A 12 -4.532 8.649 9.870 1.00 0.00 N ATOM 140 CA TRP A 12 -3.851 7.445 10.332 1.00 0.00 C ATOM 141 C TRP A 12 -4.856 6.368 10.724 1.00 0.00 C ATOM 142 O TRP A 12 -4.640 5.182 10.470 1.00 0.00 O ATOM 143 CB TRP A 12 -2.944 7.771 11.520 1.00 0.00 C ATOM 144 CG TRP A 12 -3.697 8.017 12.792 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.438 9.121 13.105 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.781 7.141 13.921 1.00 0.00 C ATOM 147 NE1 TRP A 12 -4.977 8.984 14.362 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.589 7.778 14.883 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.253 5.881 14.213 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -4.880 7.196 16.114 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.542 5.304 15.435 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.350 5.961 16.373 1.00 0.00 C ATOM 0 H TRP A 12 -4.054 9.520 10.102 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.241 7.065 9.512 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.247 6.947 11.672 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.349 8.653 11.282 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.580 9.976 12.460 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.570 9.669 14.831 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.630 5.367 13.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.502 7.701 16.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.138 4.330 15.671 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.559 5.483 17.319 1.00 0.00 H new ATOM 163 N ASP A 13 -5.953 6.786 11.344 1.00 0.00 N ATOM 164 CA ASP A 13 -6.993 5.856 11.770 1.00 0.00 C ATOM 165 C ASP A 13 -7.716 5.260 10.567 1.00 0.00 C ATOM 166 O ASP A 13 -7.882 4.044 10.469 1.00 0.00 O ATOM 167 CB ASP A 13 -7.995 6.562 12.685 1.00 0.00 C ATOM 168 CG ASP A 13 -8.740 5.595 13.584 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.079 4.899 14.383 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.983 5.534 13.489 1.00 0.00 O ATOM 0 H ASP A 13 -6.146 7.763 11.563 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.517 5.046 12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.469 7.293 13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.712 7.114 12.077 1.00 0.00 H new ATOM 175 N TYR A 14 -8.144 6.124 9.653 1.00 0.00 N ATOM 176 CA TYR A 14 -8.853 5.684 8.457 1.00 0.00 C ATOM 177 C TYR A 14 -8.211 4.428 7.875 1.00 0.00 C ATOM 178 O TYR A 14 -8.869 3.636 7.201 1.00 0.00 O ATOM 179 CB TYR A 14 -8.866 6.797 7.408 1.00 0.00 C ATOM 180 CG TYR A 14 -9.004 6.291 5.990 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.246 5.939 5.475 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.894 6.163 5.165 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.378 5.475 4.181 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.016 5.702 3.869 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.260 5.359 3.381 1.00 0.00 C ATOM 186 OH TYR A 14 -9.385 4.897 2.091 1.00 0.00 O ATOM 0 H TYR A 14 -8.012 7.133 9.718 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.879 5.448 8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.689 7.478 7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.945 7.374 7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.124 6.030 6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.918 6.429 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.351 5.205 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.142 5.610 3.241 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.538 5.024 1.615 1.00 0.00 H new ATOM 196 N VAL A 15 -6.920 4.254 8.141 1.00 0.00 N ATOM 197 CA VAL A 15 -6.187 3.095 7.646 1.00 0.00 C ATOM 198 C VAL A 15 -6.849 1.795 8.090 1.00 0.00 C ATOM 199 O VAL A 15 -7.338 1.022 7.267 1.00 0.00 O ATOM 200 CB VAL A 15 -4.726 3.105 8.131 1.00 0.00 C ATOM 201 CG1 VAL A 15 -3.973 1.901 7.586 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.040 4.401 7.725 1.00 0.00 C ATOM 0 H VAL A 15 -6.360 4.901 8.697 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.201 3.154 6.558 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.722 3.043 9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.942 1.926 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.453 0.985 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.983 1.928 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.008 4.392 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.053 4.495 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.566 5.246 8.169 1.00 0.00 H new ATOM 212 N TYR A 16 -6.862 1.562 9.398 1.00 0.00 N ATOM 213 CA TYR A 16 -7.462 0.354 9.953 1.00 0.00 C ATOM 214 C TYR A 16 -8.810 0.066 9.299 1.00 0.00 C ATOM 215 O TYR A 16 -9.029 -1.016 8.756 1.00 0.00 O ATOM 216 CB TYR A 16 -7.637 0.496 11.466 1.00 0.00 C ATOM 217 CG TYR A 16 -7.552 -0.818 12.211 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.343 -1.493 12.331 1.00 0.00 C ATOM 219 CD2 TYR A 16 -8.679 -1.383 12.793 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.260 -2.693 13.009 1.00 0.00 C ATOM 221 CE2 TYR A 16 -8.605 -2.582 13.475 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.394 -3.234 13.580 1.00 0.00 C ATOM 223 OH TYR A 16 -7.316 -4.429 14.257 1.00 0.00 O ATOM 0 H TYR A 16 -6.464 2.193 10.093 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.793 -0.482 9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.873 1.172 11.850 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.603 0.958 11.670 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.453 -1.072 11.886 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.629 -0.877 12.711 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.313 -3.205 13.092 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.491 -3.007 13.924 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.202 -4.670 14.599 1.00 0.00 H new ATOM 233 N GLN A 17 -9.709 1.044 9.355 1.00 0.00 N ATOM 234 CA GLN A 17 -11.036 0.896 8.768 1.00 0.00 C ATOM 235 C GLN A 17 -10.964 0.141 7.445 1.00 0.00 C ATOM 236 O GLN A 17 -11.850 -0.651 7.121 1.00 0.00 O ATOM 237 CB GLN A 17 -11.677 2.267 8.553 1.00 0.00 C ATOM 238 CG GLN A 17 -11.999 2.998 9.846 1.00 0.00 C ATOM 239 CD GLN A 17 -12.688 2.109 10.863 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.463 1.222 10.505 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.407 2.342 12.140 1.00 0.00 N ATOM 0 H GLN A 17 -9.543 1.946 9.800 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.651 0.321 9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.005 2.883 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.594 2.144 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.077 3.390 10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.637 3.854 9.626 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.758 3.088 12.392 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.840 1.775 12.869 1.00 0.00 H new ATOM 250 N LEU A 18 -9.905 0.392 6.683 1.00 0.00 N ATOM 251 CA LEU A 18 -9.718 -0.264 5.393 1.00 0.00 C ATOM 252 C LEU A 18 -9.286 -1.715 5.577 1.00 0.00 C ATOM 253 O LEU A 18 -9.928 -2.635 5.069 1.00 0.00 O ATOM 254 CB LEU A 18 -8.677 0.489 4.563 1.00 0.00 C ATOM 255 CG LEU A 18 -9.075 1.890 4.098 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.984 2.492 3.225 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.398 1.848 3.348 1.00 0.00 C ATOM 0 H LEU A 18 -9.163 1.045 6.936 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.672 -0.253 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.762 0.569 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.440 -0.110 3.684 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.199 2.522 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.284 3.489 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.057 2.558 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.828 1.860 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.665 2.854 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.302 1.200 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.176 1.459 4.005 1.00 0.00 H new ATOM 269 N LEU A 19 -8.195 -1.913 6.309 1.00 0.00 N ATOM 270 CA LEU A 19 -7.678 -3.253 6.564 1.00 0.00 C ATOM 271 C LEU A 19 -8.812 -4.226 6.871 1.00 0.00 C ATOM 272 O LEU A 19 -8.963 -5.250 6.205 1.00 0.00 O ATOM 273 CB LEU A 19 -6.685 -3.226 7.727 1.00 0.00 C ATOM 274 CG LEU A 19 -5.227 -2.949 7.359 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.823 -3.759 6.136 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.012 -1.463 7.112 1.00 0.00 C ATOM 0 H LEU A 19 -7.652 -1.163 6.736 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.165 -3.594 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.010 -2.466 8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.733 -4.186 8.242 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.597 -3.252 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.782 -3.549 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.938 -4.822 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.458 -3.487 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.969 -1.285 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.652 -1.134 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.261 -0.904 8.014 1.00 0.00 H new ATOM 288 N SER A 20 -9.609 -3.897 7.883 1.00 0.00 N ATOM 289 CA SER A 20 -10.729 -4.742 8.280 1.00 0.00 C ATOM 290 C SER A 20 -11.513 -5.213 7.059 1.00 0.00 C ATOM 291 O SER A 20 -11.780 -6.405 6.901 1.00 0.00 O ATOM 292 CB SER A 20 -11.654 -3.984 9.234 1.00 0.00 C ATOM 293 OG SER A 20 -11.037 -3.786 10.494 1.00 0.00 O ATOM 0 H SER A 20 -9.500 -3.051 8.443 1.00 0.00 H new ATOM 0 HA SER A 20 -10.329 -5.617 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.918 -3.020 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.582 -4.540 9.364 1.00 0.00 H new ATOM 0 HG SER A 20 -11.648 -3.298 11.084 1.00 0.00 H new ATOM 299 N ASP A 21 -11.880 -4.269 6.200 1.00 0.00 N ATOM 300 CA ASP A 21 -12.633 -4.586 4.992 1.00 0.00 C ATOM 301 C ASP A 21 -11.710 -5.113 3.898 1.00 0.00 C ATOM 302 O ASP A 21 -10.968 -4.351 3.278 1.00 0.00 O ATOM 303 CB ASP A 21 -13.382 -3.349 4.492 1.00 0.00 C ATOM 304 CG ASP A 21 -14.561 -2.991 5.375 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.253 -3.917 5.847 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.792 -1.783 5.594 1.00 0.00 O ATOM 0 H ASP A 21 -11.669 -3.278 6.317 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.356 -5.364 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.694 -2.504 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.733 -3.527 3.476 1.00 0.00 H new ATOM 311 N SER A 22 -11.760 -6.421 3.668 1.00 0.00 N ATOM 312 CA SER A 22 -10.924 -7.051 2.652 1.00 0.00 C ATOM 313 C SER A 22 -11.129 -6.389 1.293 1.00 0.00 C ATOM 314 O SER A 22 -10.191 -6.258 0.507 1.00 0.00 O ATOM 315 CB SER A 22 -11.239 -8.545 2.557 1.00 0.00 C ATOM 316 OG SER A 22 -10.887 -9.218 3.754 1.00 0.00 O ATOM 0 H SER A 22 -12.370 -7.065 4.171 1.00 0.00 H new ATOM 0 HA SER A 22 -9.882 -6.925 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.301 -8.684 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.697 -8.981 1.718 1.00 0.00 H new ATOM 0 HG SER A 22 -11.100 -10.171 3.668 1.00 0.00 H new ATOM 322 N ARG A 23 -12.362 -5.975 1.024 1.00 0.00 N ATOM 323 CA ARG A 23 -12.692 -5.327 -0.240 1.00 0.00 C ATOM 324 C ARG A 23 -11.666 -4.252 -0.584 1.00 0.00 C ATOM 325 O ARG A 23 -11.532 -3.855 -1.742 1.00 0.00 O ATOM 326 CB ARG A 23 -14.090 -4.711 -0.173 1.00 0.00 C ATOM 327 CG ARG A 23 -15.212 -5.729 -0.300 1.00 0.00 C ATOM 328 CD ARG A 23 -16.556 -5.126 0.076 1.00 0.00 C ATOM 329 NE ARG A 23 -17.147 -4.375 -1.029 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.730 -4.946 -2.077 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.800 -6.267 -2.163 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.244 -4.195 -3.043 1.00 0.00 N ATOM 0 H ARG A 23 -13.150 -6.076 1.664 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.675 -6.085 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.199 -4.180 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.190 -3.972 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.253 -6.102 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.003 -6.584 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.238 -5.920 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.430 -4.468 0.936 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.110 -3.356 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.406 -6.848 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.248 -6.703 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.192 -3.178 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.691 -4.635 -3.847 1.00 0.00 H new ATOM 346 N TYR A 24 -10.945 -3.784 0.429 1.00 0.00 N ATOM 347 CA TYR A 24 -9.933 -2.752 0.234 1.00 0.00 C ATOM 348 C TYR A 24 -8.529 -3.339 0.339 1.00 0.00 C ATOM 349 O TYR A 24 -7.605 -2.684 0.818 1.00 0.00 O ATOM 350 CB TYR A 24 -10.109 -1.636 1.265 1.00 0.00 C ATOM 351 CG TYR A 24 -11.480 -0.999 1.240 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.611 -1.723 1.598 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.645 0.327 0.857 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.865 -1.145 1.576 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.896 0.913 0.833 1.00 0.00 C ATOM 356 CZ TYR A 24 -14.003 0.173 1.193 1.00 0.00 C ATOM 357 OH TYR A 24 -15.251 0.753 1.170 1.00 0.00 O ATOM 0 H TYR A 24 -11.042 -4.103 1.393 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.060 -2.338 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.923 -2.040 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.357 -0.867 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.507 -2.755 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.781 0.909 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.733 -1.722 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.007 1.945 0.534 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.173 1.685 0.879 1.00 0.00 H new ATOM 367 N GLU A 25 -8.379 -4.580 -0.114 1.00 0.00 N ATOM 368 CA GLU A 25 -7.088 -5.257 -0.072 1.00 0.00 C ATOM 369 C GLU A 25 -6.168 -4.744 -1.177 1.00 0.00 C ATOM 370 O GLU A 25 -5.007 -4.421 -0.932 1.00 0.00 O ATOM 371 CB GLU A 25 -7.274 -6.769 -0.209 1.00 0.00 C ATOM 372 CG GLU A 25 -7.500 -7.478 1.116 1.00 0.00 C ATOM 373 CD GLU A 25 -7.623 -8.981 0.960 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.755 -9.464 0.745 1.00 0.00 O ATOM 375 OE2 GLU A 25 -6.589 -9.675 1.052 1.00 0.00 O ATOM 0 H GLU A 25 -9.135 -5.136 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.626 -5.042 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.122 -6.964 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.393 -7.192 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.673 -7.253 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.406 -7.090 1.582 1.00 0.00 H new ATOM 382 N ASN A 26 -6.698 -4.673 -2.393 1.00 0.00 N ATOM 383 CA ASN A 26 -5.925 -4.201 -3.537 1.00 0.00 C ATOM 384 C ASN A 26 -5.295 -2.843 -3.244 1.00 0.00 C ATOM 385 O ASN A 26 -4.243 -2.505 -3.787 1.00 0.00 O ATOM 386 CB ASN A 26 -6.816 -4.106 -4.777 1.00 0.00 C ATOM 387 CG ASN A 26 -7.654 -5.353 -4.984 1.00 0.00 C ATOM 388 OD1 ASN A 26 -7.122 -6.451 -5.149 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.972 -5.189 -4.977 1.00 0.00 N ATOM 0 H ASN A 26 -7.659 -4.936 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.127 -4.919 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.473 -3.241 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.194 -3.940 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.587 -5.992 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.370 -4.260 -4.837 1.00 0.00 H new ATOM 396 N PHE A 27 -5.945 -2.069 -2.383 1.00 0.00 N ATOM 397 CA PHE A 27 -5.449 -0.747 -2.018 1.00 0.00 C ATOM 398 C PHE A 27 -4.481 -0.835 -0.842 1.00 0.00 C ATOM 399 O PHE A 27 -3.412 -0.223 -0.857 1.00 0.00 O ATOM 400 CB PHE A 27 -6.615 0.179 -1.664 1.00 0.00 C ATOM 401 CG PHE A 27 -7.429 0.599 -2.854 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.840 1.279 -3.908 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.784 0.315 -2.919 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.586 1.667 -5.005 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.535 0.699 -4.014 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.936 1.377 -5.058 1.00 0.00 C ATOM 0 H PHE A 27 -6.817 -2.334 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.916 -0.337 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.265 -0.325 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.225 1.068 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.785 1.509 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.259 -0.212 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.114 2.196 -5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.590 0.469 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.521 1.680 -5.914 1.00 0.00 H new ATOM 416 N ILE A 28 -4.863 -1.599 0.176 1.00 0.00 N ATOM 417 CA ILE A 28 -4.029 -1.768 1.359 1.00 0.00 C ATOM 418 C ILE A 28 -4.406 -3.033 2.122 1.00 0.00 C ATOM 419 O ILE A 28 -5.550 -3.196 2.547 1.00 0.00 O ATOM 420 CB ILE A 28 -4.143 -0.558 2.305 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.244 -0.753 3.528 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.589 -0.354 2.732 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.113 0.487 4.386 1.00 0.00 C ATOM 0 H ILE A 28 -5.745 -2.111 0.205 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.000 -1.851 1.010 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.812 0.334 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.643 -1.565 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.253 -1.061 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.653 0.505 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.207 -0.176 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.944 -1.245 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.462 0.275 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.686 1.296 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.097 0.784 4.749 1.00 0.00 H new ATOM 435 N ARG A 29 -3.437 -3.926 2.293 1.00 0.00 N ATOM 436 CA ARG A 29 -3.667 -5.177 3.005 1.00 0.00 C ATOM 437 C ARG A 29 -2.696 -5.324 4.173 1.00 0.00 C ATOM 438 O ARG A 29 -1.762 -4.536 4.319 1.00 0.00 O ATOM 439 CB ARG A 29 -3.520 -6.365 2.053 1.00 0.00 C ATOM 440 CG ARG A 29 -2.154 -6.451 1.392 1.00 0.00 C ATOM 441 CD ARG A 29 -2.131 -7.506 0.297 1.00 0.00 C ATOM 442 NE ARG A 29 -2.377 -8.846 0.822 1.00 0.00 N ATOM 443 CZ ARG A 29 -2.081 -9.960 0.161 1.00 0.00 C ATOM 444 NH1 ARG A 29 -1.532 -9.894 -1.043 1.00 0.00 N ATOM 445 NH2 ARG A 29 -2.335 -11.143 0.706 1.00 0.00 N ATOM 0 H ARG A 29 -2.485 -3.806 1.948 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.683 -5.160 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.706 -7.287 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.285 -6.297 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.891 -5.481 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.400 -6.687 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.885 -7.267 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.164 -7.486 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.799 -8.932 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.335 -8.986 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.306 -10.751 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.758 -11.197 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.108 -11.998 0.198 1.00 0.00 H new ATOM 459 N TRP A 30 -2.924 -6.337 5.001 1.00 0.00 N ATOM 460 CA TRP A 30 -2.069 -6.587 6.156 1.00 0.00 C ATOM 461 C TRP A 30 -0.758 -7.240 5.732 1.00 0.00 C ATOM 462 O TRP A 30 -0.755 -8.318 5.138 1.00 0.00 O ATOM 463 CB TRP A 30 -2.792 -7.477 7.168 1.00 0.00 C ATOM 464 CG TRP A 30 -3.670 -6.712 8.111 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.018 -6.857 8.276 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.262 -5.680 9.016 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.472 -5.978 9.230 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.415 -5.246 9.700 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.035 -5.083 9.317 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.374 -4.241 10.663 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.996 -4.086 10.274 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.159 -3.674 10.938 1.00 0.00 C ATOM 0 H TRP A 30 -3.693 -6.998 4.894 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.841 -5.628 6.622 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.397 -8.208 6.631 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.053 -8.036 7.743 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.636 -7.559 7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.440 -5.886 9.538 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.133 -5.395 8.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.269 -3.920 11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.053 -3.617 10.514 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.095 -2.893 11.682 1.00 0.00 H new ATOM 483 N GLU A 31 0.354 -6.581 6.041 1.00 0.00 N ATOM 484 CA GLU A 31 1.671 -7.099 5.691 1.00 0.00 C ATOM 485 C GLU A 31 2.091 -8.211 6.648 1.00 0.00 C ATOM 486 O GLU A 31 2.302 -9.352 6.236 1.00 0.00 O ATOM 487 CB GLU A 31 2.709 -5.975 5.712 1.00 0.00 C ATOM 488 CG GLU A 31 3.770 -6.105 4.633 1.00 0.00 C ATOM 489 CD GLU A 31 4.738 -7.242 4.902 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.358 -8.410 4.673 1.00 0.00 O ATOM 491 OE2 GLU A 31 5.874 -6.964 5.340 1.00 0.00 O ATOM 0 H GLU A 31 0.369 -5.688 6.533 1.00 0.00 H new ATOM 0 HA GLU A 31 1.614 -7.512 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.199 -5.019 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.195 -5.959 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.286 -6.265 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.325 -5.170 4.559 1.00 0.00 H new ATOM 498 N ASP A 32 2.210 -7.869 7.926 1.00 0.00 N ATOM 499 CA ASP A 32 2.604 -8.838 8.943 1.00 0.00 C ATOM 500 C ASP A 32 1.720 -8.716 10.181 1.00 0.00 C ATOM 501 O ASP A 32 2.130 -8.154 11.197 1.00 0.00 O ATOM 502 CB ASP A 32 4.071 -8.638 9.326 1.00 0.00 C ATOM 503 CG ASP A 32 5.010 -9.468 8.473 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.079 -10.696 8.689 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.678 -8.889 7.591 1.00 0.00 O ATOM 0 H ASP A 32 2.039 -6.929 8.283 1.00 0.00 H new ATOM 0 HA ASP A 32 2.478 -9.837 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.329 -7.584 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.209 -8.901 10.375 1.00 0.00 H new ATOM 510 N LYS A 33 0.505 -9.245 10.088 1.00 0.00 N ATOM 511 CA LYS A 33 -0.438 -9.196 11.199 1.00 0.00 C ATOM 512 C LYS A 33 0.277 -9.417 12.529 1.00 0.00 C ATOM 513 O LYS A 33 -0.159 -8.921 13.567 1.00 0.00 O ATOM 514 CB LYS A 33 -1.531 -10.251 11.014 1.00 0.00 C ATOM 515 CG LYS A 33 -2.732 -9.751 10.230 1.00 0.00 C ATOM 516 CD LYS A 33 -3.786 -9.153 11.145 1.00 0.00 C ATOM 517 CE LYS A 33 -3.403 -7.751 11.595 1.00 0.00 C ATOM 518 NZ LYS A 33 -2.620 -7.770 12.862 1.00 0.00 N ATOM 0 H LYS A 33 0.150 -9.713 9.254 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.895 -8.207 11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.107 -11.115 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.864 -10.593 11.994 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.409 -9.002 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.166 -10.575 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.744 -9.121 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.918 -9.793 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.818 -7.266 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.305 -7.155 11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.239 -7.511 13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.237 -8.724 13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.837 -7.089 12.796 1.00 0.00 H new ATOM 532 N GLU A 34 1.376 -10.163 12.488 1.00 0.00 N ATOM 533 CA GLU A 34 2.150 -10.448 13.691 1.00 0.00 C ATOM 534 C GLU A 34 2.507 -9.159 14.426 1.00 0.00 C ATOM 535 O GLU A 34 2.356 -9.065 15.644 1.00 0.00 O ATOM 536 CB GLU A 34 3.426 -11.214 13.333 1.00 0.00 C ATOM 537 CG GLU A 34 3.164 -12.560 12.680 1.00 0.00 C ATOM 538 CD GLU A 34 2.500 -13.546 13.621 1.00 0.00 C ATOM 539 OE1 GLU A 34 1.336 -13.309 14.005 1.00 0.00 O ATOM 540 OE2 GLU A 34 3.146 -14.556 13.973 1.00 0.00 O ATOM 0 H GLU A 34 1.750 -10.581 11.636 1.00 0.00 H new ATOM 0 HA GLU A 34 1.537 -11.064 14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.029 -10.604 12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.014 -11.367 14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.531 -12.417 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.107 -12.978 12.328 1.00 0.00 H new ATOM 547 N SER A 35 2.981 -8.169 13.677 1.00 0.00 N ATOM 548 CA SER A 35 3.363 -6.887 14.257 1.00 0.00 C ATOM 549 C SER A 35 2.494 -5.761 13.706 1.00 0.00 C ATOM 550 O SER A 35 2.956 -4.632 13.532 1.00 0.00 O ATOM 551 CB SER A 35 4.838 -6.594 13.973 1.00 0.00 C ATOM 552 OG SER A 35 5.674 -7.187 14.952 1.00 0.00 O ATOM 0 H SER A 35 3.110 -8.230 12.667 1.00 0.00 H new ATOM 0 HA SER A 35 3.212 -6.944 15.335 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.104 -6.973 12.986 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.001 -5.516 13.956 1.00 0.00 H new ATOM 0 HG SER A 35 6.611 -6.987 14.747 1.00 0.00 H new ATOM 558 N LYS A 36 1.232 -6.075 13.434 1.00 0.00 N ATOM 559 CA LYS A 36 0.296 -5.091 12.904 1.00 0.00 C ATOM 560 C LYS A 36 0.966 -4.211 11.854 1.00 0.00 C ATOM 561 O LYS A 36 0.868 -2.985 11.903 1.00 0.00 O ATOM 562 CB LYS A 36 -0.257 -4.221 14.036 1.00 0.00 C ATOM 563 CG LYS A 36 -1.043 -5.002 15.075 1.00 0.00 C ATOM 564 CD LYS A 36 -1.069 -4.281 16.412 1.00 0.00 C ATOM 565 CE LYS A 36 -2.160 -4.829 17.319 1.00 0.00 C ATOM 566 NZ LYS A 36 -3.487 -4.223 17.020 1.00 0.00 N ATOM 0 H LYS A 36 0.834 -7.004 13.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.526 -5.628 12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.571 -3.710 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.900 -3.451 13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.063 -5.154 14.722 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.599 -5.990 15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.101 -4.385 16.902 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.231 -3.215 16.249 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.220 -5.911 17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.899 -4.635 18.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.203 -4.623 17.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.437 -3.193 17.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.749 -4.429 16.035 1.00 0.00 H new ATOM 580 N ILE A 37 1.646 -4.845 10.905 1.00 0.00 N ATOM 581 CA ILE A 37 2.331 -4.120 9.842 1.00 0.00 C ATOM 582 C ILE A 37 1.523 -4.149 8.548 1.00 0.00 C ATOM 583 O ILE A 37 1.004 -5.192 8.151 1.00 0.00 O ATOM 584 CB ILE A 37 3.731 -4.703 9.573 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.588 -4.632 10.838 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.403 -3.959 8.429 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.983 -5.186 10.654 1.00 0.00 C ATOM 0 H ILE A 37 1.737 -5.859 10.850 1.00 0.00 H new ATOM 0 HA ILE A 37 2.435 -3.089 10.180 1.00 0.00 H new ATOM 0 HB ILE A 37 3.624 -5.749 9.287 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.658 -3.594 11.162 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.090 -5.182 11.636 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.392 -4.382 8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.799 -4.056 7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.501 -2.905 8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.534 -5.103 11.591 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.922 -6.234 10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.500 -4.621 9.878 1.00 0.00 H new ATOM 599 N PHE A 38 1.423 -2.996 7.894 1.00 0.00 N ATOM 600 CA PHE A 38 0.680 -2.889 6.644 1.00 0.00 C ATOM 601 C PHE A 38 1.513 -2.192 5.573 1.00 0.00 C ATOM 602 O PHE A 38 2.503 -1.526 5.878 1.00 0.00 O ATOM 603 CB PHE A 38 -0.627 -2.125 6.867 1.00 0.00 C ATOM 604 CG PHE A 38 -0.460 -0.881 7.692 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.101 -0.962 9.028 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.663 0.370 7.132 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.052 0.181 9.789 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.511 1.517 7.888 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.152 1.422 9.218 1.00 0.00 C ATOM 0 H PHE A 38 1.847 -2.123 8.209 1.00 0.00 H new ATOM 0 HA PHE A 38 0.450 -3.897 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.051 -1.856 5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.344 -2.783 7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.061 -1.930 9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.943 0.450 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.331 0.104 10.830 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.673 2.486 7.439 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.031 2.317 9.811 1.00 0.00 H new ATOM 619 N ARG A 39 1.106 -2.350 4.318 1.00 0.00 N ATOM 620 CA ARG A 39 1.816 -1.738 3.202 1.00 0.00 C ATOM 621 C ARG A 39 0.839 -1.275 2.125 1.00 0.00 C ATOM 622 O ARG A 39 0.111 -2.081 1.545 1.00 0.00 O ATOM 623 CB ARG A 39 2.820 -2.725 2.604 1.00 0.00 C ATOM 624 CG ARG A 39 3.435 -2.253 1.297 1.00 0.00 C ATOM 625 CD ARG A 39 3.886 -3.424 0.438 1.00 0.00 C ATOM 626 NE ARG A 39 4.886 -4.246 1.114 1.00 0.00 N ATOM 627 CZ ARG A 39 5.486 -5.286 0.548 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.190 -5.630 -0.698 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.386 -5.986 1.228 1.00 0.00 N ATOM 0 H ARG A 39 0.288 -2.897 4.049 1.00 0.00 H new ATOM 0 HA ARG A 39 2.354 -0.868 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.616 -2.903 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.322 -3.680 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.708 -1.655 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.286 -1.606 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.023 -4.040 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.298 -3.049 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 39 5.137 -4.008 2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.499 -5.095 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.653 -6.430 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.617 -5.725 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.846 -6.785 0.792 1.00 0.00 H new ATOM 643 N ILE A 40 0.829 0.028 1.863 1.00 0.00 N ATOM 644 CA ILE A 40 -0.058 0.597 0.856 1.00 0.00 C ATOM 645 C ILE A 40 0.244 0.030 -0.527 1.00 0.00 C ATOM 646 O ILE A 40 1.182 0.463 -1.196 1.00 0.00 O ATOM 647 CB ILE A 40 0.059 2.132 0.806 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.684 2.761 1.986 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.485 2.662 -0.513 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.658 4.274 1.979 1.00 0.00 C ATOM 0 H ILE A 40 1.425 0.709 2.334 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.075 0.327 1.142 1.00 0.00 H new ATOM 0 HB ILE A 40 1.112 2.404 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.720 2.423 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.243 2.402 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.395 3.748 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.084 2.235 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.534 2.382 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.204 4.651 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.375 4.620 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.126 4.642 1.066 1.00 0.00 H new ATOM 662 N VAL A 41 -0.558 -0.941 -0.950 1.00 0.00 N ATOM 663 CA VAL A 41 -0.379 -1.567 -2.255 1.00 0.00 C ATOM 664 C VAL A 41 -0.251 -0.518 -3.354 1.00 0.00 C ATOM 665 O VAL A 41 0.625 -0.609 -4.215 1.00 0.00 O ATOM 666 CB VAL A 41 -1.550 -2.508 -2.592 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.324 -3.183 -3.936 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.736 -3.542 -1.492 1.00 0.00 C ATOM 0 H VAL A 41 -1.339 -1.312 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 41 0.541 -2.149 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.462 -1.914 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.162 -3.844 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.245 -2.425 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.403 -3.765 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.568 -4.199 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.826 -4.133 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.948 -3.037 -0.550 1.00 0.00 H new ATOM 678 N ASP A 42 -1.130 0.477 -3.319 1.00 0.00 N ATOM 679 CA ASP A 42 -1.116 1.546 -4.312 1.00 0.00 C ATOM 680 C ASP A 42 -1.450 2.888 -3.670 1.00 0.00 C ATOM 681 O ASP A 42 -2.555 3.110 -3.175 1.00 0.00 O ATOM 682 CB ASP A 42 -2.109 1.241 -5.434 1.00 0.00 C ATOM 683 CG ASP A 42 -1.678 1.828 -6.764 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.928 3.029 -6.991 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.090 1.084 -7.578 1.00 0.00 O ATOM 0 H ASP A 42 -1.862 0.566 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.112 1.605 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.218 0.161 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.089 1.637 -5.166 1.00 0.00 H new ATOM 690 N PRO A 43 -0.473 3.807 -3.676 1.00 0.00 N ATOM 691 CA PRO A 43 -0.639 5.144 -3.098 1.00 0.00 C ATOM 692 C PRO A 43 -1.594 6.012 -3.910 1.00 0.00 C ATOM 693 O PRO A 43 -2.412 6.741 -3.351 1.00 0.00 O ATOM 694 CB PRO A 43 0.776 5.726 -3.137 1.00 0.00 C ATOM 695 CG PRO A 43 1.455 4.997 -4.245 1.00 0.00 C ATOM 696 CD PRO A 43 0.870 3.612 -4.249 1.00 0.00 C ATOM 0 HA PRO A 43 -1.071 5.105 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.757 6.800 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.292 5.575 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.287 5.494 -5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.533 4.965 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.821 3.199 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.466 2.922 -3.651 1.00 0.00 H new ATOM 704 N ASN A 44 -1.485 5.928 -5.232 1.00 0.00 N ATOM 705 CA ASN A 44 -2.340 6.706 -6.121 1.00 0.00 C ATOM 706 C ASN A 44 -3.800 6.290 -5.973 1.00 0.00 C ATOM 707 O ASN A 44 -4.702 7.126 -6.012 1.00 0.00 O ATOM 708 CB ASN A 44 -1.892 6.533 -7.573 1.00 0.00 C ATOM 709 CG ASN A 44 -2.668 7.420 -8.527 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.343 8.361 -8.108 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.576 7.124 -9.818 1.00 0.00 N ATOM 0 H ASN A 44 -0.813 5.329 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.251 7.756 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.829 6.761 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.017 5.491 -7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.076 7.686 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.005 6.335 -10.121 1.00 0.00 H new ATOM 718 N GLY A 45 -4.025 4.990 -5.803 1.00 0.00 N ATOM 719 CA GLY A 45 -5.377 4.485 -5.652 1.00 0.00 C ATOM 720 C GLY A 45 -5.905 4.655 -4.241 1.00 0.00 C ATOM 721 O GLY A 45 -7.093 4.913 -4.042 1.00 0.00 O ATOM 0 H GLY A 45 -3.295 4.278 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.035 5.005 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.399 3.429 -5.920 1.00 0.00 H new ATOM 725 N LEU A 46 -5.023 4.508 -3.260 1.00 0.00 N ATOM 726 CA LEU A 46 -5.407 4.646 -1.859 1.00 0.00 C ATOM 727 C LEU A 46 -5.746 6.095 -1.527 1.00 0.00 C ATOM 728 O LEU A 46 -6.825 6.388 -1.011 1.00 0.00 O ATOM 729 CB LEU A 46 -4.279 4.153 -0.950 1.00 0.00 C ATOM 730 CG LEU A 46 -4.642 3.954 0.522 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.296 5.206 1.085 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.559 2.750 0.687 1.00 0.00 C ATOM 0 H LEU A 46 -4.037 4.293 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.295 4.037 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.910 3.206 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.456 4.865 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.725 3.766 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.547 5.045 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.606 6.046 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.204 5.426 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.807 2.623 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.473 2.908 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.054 1.855 0.323 1.00 0.00 H new ATOM 744 N ALA A 47 -4.820 6.999 -1.828 1.00 0.00 N ATOM 745 CA ALA A 47 -5.023 8.418 -1.566 1.00 0.00 C ATOM 746 C ALA A 47 -6.429 8.854 -1.963 1.00 0.00 C ATOM 747 O ALA A 47 -7.187 9.365 -1.139 1.00 0.00 O ATOM 748 CB ALA A 47 -3.982 9.246 -2.305 1.00 0.00 C ATOM 0 H ALA A 47 -3.921 6.773 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.909 8.584 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.146 10.304 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.985 8.961 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.068 9.067 -3.377 1.00 0.00 H new ATOM 754 N ARG A 48 -6.770 8.650 -3.231 1.00 0.00 N ATOM 755 CA ARG A 48 -8.085 9.024 -3.738 1.00 0.00 C ATOM 756 C ARG A 48 -9.173 8.699 -2.719 1.00 0.00 C ATOM 757 O ARG A 48 -9.940 9.573 -2.313 1.00 0.00 O ATOM 758 CB ARG A 48 -8.372 8.301 -5.056 1.00 0.00 C ATOM 759 CG ARG A 48 -7.914 9.070 -6.284 1.00 0.00 C ATOM 760 CD ARG A 48 -8.049 8.233 -7.547 1.00 0.00 C ATOM 761 NE ARG A 48 -7.347 8.833 -8.679 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.372 8.331 -9.908 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.059 7.227 -10.164 1.00 0.00 N ATOM 764 NH2 ARG A 48 -6.708 8.935 -10.886 1.00 0.00 N ATOM 0 H ARG A 48 -6.154 8.228 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.086 10.100 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.880 7.329 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.443 8.115 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.504 9.981 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.875 9.375 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.654 7.234 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.104 8.118 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.808 9.684 -8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.571 6.760 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.076 6.844 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.178 9.785 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.728 8.549 -11.830 1.00 0.00 H new ATOM 778 N LEU A 49 -9.235 7.436 -2.311 1.00 0.00 N ATOM 779 CA LEU A 49 -10.230 6.995 -1.340 1.00 0.00 C ATOM 780 C LEU A 49 -10.282 7.941 -0.145 1.00 0.00 C ATOM 781 O LEU A 49 -11.360 8.331 0.304 1.00 0.00 O ATOM 782 CB LEU A 49 -9.914 5.575 -0.867 1.00 0.00 C ATOM 783 CG LEU A 49 -10.021 4.475 -1.924 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.344 3.202 -1.441 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.479 4.208 -2.271 1.00 0.00 C ATOM 0 H LEU A 49 -8.609 6.700 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.205 7.001 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.902 5.565 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.587 5.329 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.510 4.814 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.431 2.431 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.291 3.402 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.825 2.859 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.536 3.423 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.014 3.891 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.933 5.119 -2.662 1.00 0.00 H new ATOM 797 N TRP A 50 -9.112 8.308 0.364 1.00 0.00 N ATOM 798 CA TRP A 50 -9.024 9.211 1.506 1.00 0.00 C ATOM 799 C TRP A 50 -9.537 10.600 1.142 1.00 0.00 C ATOM 800 O TRP A 50 -10.396 11.154 1.827 1.00 0.00 O ATOM 801 CB TRP A 50 -7.580 9.301 2.001 1.00 0.00 C ATOM 802 CG TRP A 50 -7.300 10.542 2.794 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.668 11.670 2.355 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.643 10.779 4.164 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.596 12.594 3.370 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.187 12.072 4.489 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.291 10.026 5.147 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.360 12.625 5.756 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.461 10.576 6.403 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.998 11.865 6.699 1.00 0.00 C ATOM 0 H TRP A 50 -8.211 7.994 0.004 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.650 8.810 2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.359 8.428 2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.907 9.266 1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.282 11.815 1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.171 13.519 3.301 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.652 9.032 4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.003 13.618 5.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.960 10.002 7.170 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.147 12.267 7.690 1.00 0.00 H new ATOM 821 N GLY A 51 -9.005 11.158 0.058 1.00 0.00 N ATOM 822 CA GLY A 51 -9.423 12.478 -0.377 1.00 0.00 C ATOM 823 C GLY A 51 -10.851 12.497 -0.883 1.00 0.00 C ATOM 824 O GLY A 51 -11.438 13.563 -1.067 1.00 0.00 O ATOM 0 H GLY A 51 -8.293 10.720 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.326 13.178 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.756 12.825 -1.167 1.00 0.00 H new ATOM 828 N ASN A 52 -11.413 11.314 -1.111 1.00 0.00 N ATOM 829 CA ASN A 52 -12.781 11.199 -1.601 1.00 0.00 C ATOM 830 C ASN A 52 -13.783 11.358 -0.462 1.00 0.00 C ATOM 831 O ASN A 52 -14.600 12.280 -0.463 1.00 0.00 O ATOM 832 CB ASN A 52 -12.986 9.848 -2.290 1.00 0.00 C ATOM 833 CG ASN A 52 -14.411 9.655 -2.771 1.00 0.00 C ATOM 834 OD1 ASN A 52 -14.820 10.228 -3.781 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.175 8.845 -2.048 1.00 0.00 N ATOM 0 H ASN A 52 -10.941 10.422 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.950 11.998 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.305 9.768 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.728 9.047 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.143 8.677 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.794 8.391 -1.218 1.00 0.00 H new ATOM 842 N HIS A 53 -13.713 10.455 0.511 1.00 0.00 N ATOM 843 CA HIS A 53 -14.613 10.496 1.658 1.00 0.00 C ATOM 844 C HIS A 53 -14.311 11.701 2.543 1.00 0.00 C ATOM 845 O HIS A 53 -15.091 12.044 3.431 1.00 0.00 O ATOM 846 CB HIS A 53 -14.493 9.207 2.473 1.00 0.00 C ATOM 847 CG HIS A 53 -13.496 9.294 3.587 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.850 9.255 4.919 1.00 0.00 N ATOM 849 CD2 HIS A 53 -12.148 9.416 3.561 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.763 9.351 5.664 1.00 0.00 C ATOM 851 NE2 HIS A 53 -11.717 9.450 4.864 1.00 0.00 N ATOM 0 H HIS A 53 -13.043 9.686 0.528 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.633 10.588 1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.469 8.957 2.889 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.212 8.391 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.527 9.476 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.735 9.349 6.744 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.746 9.538 5.165 1.00 0.00 H new ATOM 860 N LYS A 54 -13.172 12.340 2.295 1.00 0.00 N ATOM 861 CA LYS A 54 -12.766 13.508 3.068 1.00 0.00 C ATOM 862 C LYS A 54 -13.215 14.796 2.386 1.00 0.00 C ATOM 863 O LYS A 54 -12.904 15.894 2.845 1.00 0.00 O ATOM 864 CB LYS A 54 -11.247 13.519 3.253 1.00 0.00 C ATOM 865 CG LYS A 54 -10.742 12.452 4.209 1.00 0.00 C ATOM 866 CD LYS A 54 -11.235 12.695 5.626 1.00 0.00 C ATOM 867 CE LYS A 54 -10.751 14.032 6.163 1.00 0.00 C ATOM 868 NZ LYS A 54 -11.109 14.217 7.597 1.00 0.00 N ATOM 0 H LYS A 54 -12.514 12.068 1.565 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.245 13.450 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.770 13.380 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.941 14.498 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.075 11.471 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.652 12.439 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.325 12.668 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.886 11.893 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.669 14.100 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.186 14.839 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.761 15.141 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.143 14.178 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.673 13.462 8.164 1.00 0.00 H new ATOM 882 N ASN A 55 -13.950 14.653 1.287 1.00 0.00 N ATOM 883 CA ASN A 55 -14.443 15.805 0.542 1.00 0.00 C ATOM 884 C ASN A 55 -13.286 16.666 0.044 1.00 0.00 C ATOM 885 O ASN A 55 -13.278 17.883 0.233 1.00 0.00 O ATOM 886 CB ASN A 55 -15.377 16.643 1.417 1.00 0.00 C ATOM 887 CG ASN A 55 -16.334 17.487 0.598 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.340 17.423 -0.631 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.149 18.285 1.278 1.00 0.00 N ATOM 0 H ASN A 55 -14.217 13.751 0.893 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.998 15.438 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.947 15.983 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -14.783 17.293 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.815 18.877 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.109 18.306 2.297 1.00 0.00 H new ATOM 896 N ARG A 56 -12.311 16.027 -0.593 1.00 0.00 N ATOM 897 CA ARG A 56 -11.148 16.734 -1.117 1.00 0.00 C ATOM 898 C ARG A 56 -10.841 16.290 -2.545 1.00 0.00 C ATOM 899 O ARG A 56 -10.525 15.126 -2.791 1.00 0.00 O ATOM 900 CB ARG A 56 -9.931 16.492 -0.223 1.00 0.00 C ATOM 901 CG ARG A 56 -8.888 17.594 -0.302 1.00 0.00 C ATOM 902 CD ARG A 56 -9.319 18.826 0.478 1.00 0.00 C ATOM 903 NE ARG A 56 -10.077 19.761 -0.349 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.776 20.778 0.142 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.812 20.991 1.451 1.00 0.00 N ATOM 906 NH2 ARG A 56 -11.439 21.586 -0.675 1.00 0.00 N ATOM 0 H ARG A 56 -12.303 15.021 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.376 17.800 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.264 16.392 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.469 15.545 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.939 17.227 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.719 17.863 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.927 18.521 1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.438 19.328 0.878 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.069 19.625 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.302 20.373 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.349 21.773 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.413 21.427 -1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.975 22.366 -0.296 1.00 0.00 H new ATOM 920 N THR A 57 -10.935 17.227 -3.483 1.00 0.00 N ATOM 921 CA THR A 57 -10.669 16.933 -4.886 1.00 0.00 C ATOM 922 C THR A 57 -9.187 17.090 -5.209 1.00 0.00 C ATOM 923 O THR A 57 -8.546 18.046 -4.774 1.00 0.00 O ATOM 924 CB THR A 57 -11.485 17.849 -5.816 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.870 17.810 -5.452 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.326 17.426 -7.269 1.00 0.00 C ATOM 0 H THR A 57 -11.193 18.196 -3.297 1.00 0.00 H new ATOM 0 HA THR A 57 -10.967 15.898 -5.054 1.00 0.00 H new ATOM 0 HB THR A 57 -11.110 18.866 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 57 -13.381 18.397 -6.047 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.912 18.088 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.275 17.485 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.677 16.401 -7.390 1.00 0.00 H new ATOM 934 N ASN A 58 -8.650 16.146 -5.975 1.00 0.00 N ATOM 935 CA ASN A 58 -7.243 16.180 -6.356 1.00 0.00 C ATOM 936 C ASN A 58 -6.347 15.885 -5.157 1.00 0.00 C ATOM 937 O ASN A 58 -5.342 16.561 -4.940 1.00 0.00 O ATOM 938 CB ASN A 58 -6.887 17.545 -6.949 1.00 0.00 C ATOM 939 CG ASN A 58 -7.967 18.073 -7.874 1.00 0.00 C ATOM 940 OD1 ASN A 58 -8.653 19.044 -7.554 1.00 0.00 O ATOM 941 ND2 ASN A 58 -8.122 17.435 -9.028 1.00 0.00 N ATOM 0 H ASN A 58 -9.168 15.348 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.078 15.409 -7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.724 18.258 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.949 17.466 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.832 17.745 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.531 16.635 -9.252 1.00 0.00 H new ATOM 948 N MET A 59 -6.719 14.871 -4.383 1.00 0.00 N ATOM 949 CA MET A 59 -5.948 14.485 -3.207 1.00 0.00 C ATOM 950 C MET A 59 -4.757 13.616 -3.599 1.00 0.00 C ATOM 951 O MET A 59 -4.916 12.581 -4.247 1.00 0.00 O ATOM 952 CB MET A 59 -6.836 13.735 -2.213 1.00 0.00 C ATOM 953 CG MET A 59 -6.095 13.264 -0.971 1.00 0.00 C ATOM 954 SD MET A 59 -5.656 14.621 0.132 1.00 0.00 S ATOM 955 CE MET A 59 -7.064 14.625 1.239 1.00 0.00 C ATOM 0 H MET A 59 -7.549 14.302 -4.549 1.00 0.00 H new ATOM 0 HA MET A 59 -5.573 15.393 -2.735 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.658 14.384 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.277 12.872 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.716 12.549 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.189 12.737 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.739 14.909 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.806 15.340 0.882 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.505 13.629 1.270 1.00 0.00 H new ATOM 965 N THR A 60 -3.562 14.043 -3.203 1.00 0.00 N ATOM 966 CA THR A 60 -2.344 13.306 -3.515 1.00 0.00 C ATOM 967 C THR A 60 -1.812 12.579 -2.285 1.00 0.00 C ATOM 968 O THR A 60 -2.074 12.983 -1.151 1.00 0.00 O ATOM 969 CB THR A 60 -1.247 14.238 -4.061 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.451 14.743 -2.983 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.857 15.397 -4.834 1.00 0.00 C ATOM 0 H THR A 60 -3.412 14.896 -2.665 1.00 0.00 H new ATOM 0 HA THR A 60 -2.604 12.576 -4.282 1.00 0.00 H new ATOM 0 HB THR A 60 -0.616 13.662 -4.738 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.245 15.334 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.063 16.042 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.437 15.010 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.509 15.971 -4.175 1.00 0.00 H new ATOM 979 N TYR A 61 -1.063 11.506 -2.515 1.00 0.00 N ATOM 980 CA TYR A 61 -0.495 10.722 -1.425 1.00 0.00 C ATOM 981 C TYR A 61 0.373 11.594 -0.522 1.00 0.00 C ATOM 982 O TYR A 61 0.355 11.450 0.700 1.00 0.00 O ATOM 983 CB TYR A 61 0.332 9.562 -1.980 1.00 0.00 C ATOM 984 CG TYR A 61 1.153 8.847 -0.931 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.556 7.981 -0.024 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.527 9.039 -0.846 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.302 7.326 0.936 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.281 8.388 0.110 1.00 0.00 C ATOM 989 CZ TYR A 61 2.664 7.532 0.999 1.00 0.00 C ATOM 990 OH TYR A 61 3.412 6.883 1.954 1.00 0.00 O ATOM 0 H TYR A 61 -0.835 11.159 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.317 10.322 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.337 8.845 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.998 9.940 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.510 7.817 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.013 9.709 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.821 6.656 1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.348 8.548 0.162 1.00 0.00 H new ATOM 0 HH TYR A 61 4.354 7.137 1.861 1.00 0.00 H new ATOM 1000 N GLU A 62 1.131 12.498 -1.134 1.00 0.00 N ATOM 1001 CA GLU A 62 2.007 13.392 -0.386 1.00 0.00 C ATOM 1002 C GLU A 62 1.248 14.071 0.751 1.00 0.00 C ATOM 1003 O GLU A 62 1.717 14.113 1.888 1.00 0.00 O ATOM 1004 CB GLU A 62 2.607 14.450 -1.316 1.00 0.00 C ATOM 1005 CG GLU A 62 3.915 15.032 -0.810 1.00 0.00 C ATOM 1006 CD GLU A 62 4.745 15.652 -1.918 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.112 14.924 -2.863 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.027 16.866 -1.839 1.00 0.00 O ATOM 0 H GLU A 62 1.156 12.631 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 62 2.813 12.796 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.772 14.007 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.886 15.257 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.704 15.788 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.494 14.247 -0.324 1.00 0.00 H new ATOM 1015 N LYS A 63 0.072 14.602 0.435 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.755 15.278 1.428 1.00 0.00 C ATOM 1017 C LYS A 63 -1.264 14.293 2.474 1.00 0.00 C ATOM 1018 O LYS A 63 -1.734 14.692 3.539 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.937 15.974 0.749 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.546 17.222 -0.024 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.469 17.455 -1.208 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.742 18.175 -0.789 1.00 0.00 C ATOM 1023 NZ LYS A 63 -3.535 19.645 -0.674 1.00 0.00 N ATOM 0 H LYS A 63 -0.330 14.577 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.140 16.026 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.419 15.272 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.674 16.242 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.577 18.087 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.519 17.127 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.950 18.042 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.724 16.499 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.529 17.975 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.084 17.780 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.425 20.100 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.802 19.838 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.233 20.026 -1.593 1.00 0.00 H new ATOM 1037 N MET A 64 -1.165 13.004 2.165 1.00 0.00 N ATOM 1038 CA MET A 64 -1.614 11.962 3.080 1.00 0.00 C ATOM 1039 C MET A 64 -0.507 11.585 4.060 1.00 0.00 C ATOM 1040 O MET A 64 -0.662 11.730 5.272 1.00 0.00 O ATOM 1041 CB MET A 64 -2.063 10.725 2.299 1.00 0.00 C ATOM 1042 CG MET A 64 -3.154 9.929 2.997 1.00 0.00 C ATOM 1043 SD MET A 64 -3.942 8.729 1.906 1.00 0.00 S ATOM 1044 CE MET A 64 -3.066 7.233 2.359 1.00 0.00 C ATOM 0 H MET A 64 -0.778 12.657 1.288 1.00 0.00 H new ATOM 0 HA MET A 64 -2.460 12.351 3.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.422 11.035 1.318 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.202 10.078 2.133 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.727 9.409 3.855 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.909 10.614 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.782 6.691 1.457 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.171 7.493 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.712 6.604 2.972 1.00 0.00 H new ATOM 1054 N SER A 65 0.610 11.100 3.525 1.00 0.00 N ATOM 1055 CA SER A 65 1.741 10.699 4.353 1.00 0.00 C ATOM 1056 C SER A 65 2.056 11.766 5.397 1.00 0.00 C ATOM 1057 O SER A 65 2.662 11.479 6.430 1.00 0.00 O ATOM 1058 CB SER A 65 2.973 10.443 3.481 1.00 0.00 C ATOM 1059 OG SER A 65 3.506 11.658 2.983 1.00 0.00 O ATOM 0 H SER A 65 0.755 10.976 2.523 1.00 0.00 H new ATOM 0 HA SER A 65 1.472 9.778 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.732 9.921 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.705 9.792 2.649 1.00 0.00 H new ATOM 0 HG SER A 65 2.774 12.248 2.709 1.00 0.00 H new ATOM 1065 N ARG A 66 1.640 12.997 5.120 1.00 0.00 N ATOM 1066 CA ARG A 66 1.878 14.108 6.034 1.00 0.00 C ATOM 1067 C ARG A 66 1.362 13.781 7.433 1.00 0.00 C ATOM 1068 O ARG A 66 2.026 14.059 8.431 1.00 0.00 O ATOM 1069 CB ARG A 66 1.203 15.378 5.514 1.00 0.00 C ATOM 1070 CG ARG A 66 2.073 16.184 4.563 1.00 0.00 C ATOM 1071 CD ARG A 66 2.973 17.151 5.317 1.00 0.00 C ATOM 1072 NE ARG A 66 2.217 18.244 5.922 1.00 0.00 N ATOM 1073 CZ ARG A 66 1.718 19.263 5.231 1.00 0.00 C ATOM 1074 NH1 ARG A 66 1.893 19.328 3.919 1.00 0.00 N ATOM 1075 NH2 ARG A 66 1.041 20.219 5.854 1.00 0.00 N ATOM 0 H ARG A 66 1.136 13.251 4.270 1.00 0.00 H new ATOM 0 HA ARG A 66 2.954 14.274 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.279 15.106 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.927 16.006 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.684 15.508 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.440 16.739 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.515 16.611 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.718 17.560 4.634 1.00 0.00 H new ATOM 0 HE ARG A 66 2.064 18.224 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.412 18.594 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.509 20.112 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.904 20.172 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.658 21.001 5.323 1.00 0.00 H new ATOM 1089 N ALA A 67 0.173 13.190 7.496 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.431 12.825 8.771 1.00 0.00 C ATOM 1091 C ALA A 67 0.364 11.721 9.459 1.00 0.00 C ATOM 1092 O ALA A 67 0.959 11.936 10.516 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.874 12.389 8.565 1.00 0.00 C ATOM 0 H ALA A 67 -0.390 12.954 6.679 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.417 13.703 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.313 12.119 9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.442 13.208 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.902 11.527 7.898 1.00 0.00 H new ATOM 1099 N LEU A 68 0.370 10.538 8.854 1.00 0.00 N ATOM 1100 CA LEU A 68 1.092 9.398 9.410 1.00 0.00 C ATOM 1101 C LEU A 68 2.371 9.851 10.106 1.00 0.00 C ATOM 1102 O LEU A 68 2.723 9.345 11.172 1.00 0.00 O ATOM 1103 CB LEU A 68 1.427 8.395 8.305 1.00 0.00 C ATOM 1104 CG LEU A 68 0.236 7.700 7.646 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.818 7.347 8.684 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.360 8.580 6.557 1.00 0.00 C ATOM 0 H LEU A 68 -0.117 10.343 7.979 1.00 0.00 H new ATOM 0 HA LEU A 68 0.450 8.916 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.993 8.913 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.083 7.631 8.722 1.00 0.00 H new ATOM 0 HG LEU A 68 0.588 6.776 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.658 6.853 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.386 6.678 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.166 8.257 9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.207 8.069 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.697 9.521 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.396 8.782 5.798 1.00 0.00 H new ATOM 1118 N ARG A 69 3.063 10.809 9.497 1.00 0.00 N ATOM 1119 CA ARG A 69 4.303 11.332 10.059 1.00 0.00 C ATOM 1120 C ARG A 69 4.035 12.091 11.355 1.00 0.00 C ATOM 1121 O ARG A 69 4.603 11.776 12.401 1.00 0.00 O ATOM 1122 CB ARG A 69 4.998 12.250 9.052 1.00 0.00 C ATOM 1123 CG ARG A 69 5.675 11.503 7.915 1.00 0.00 C ATOM 1124 CD ARG A 69 6.741 12.357 7.245 1.00 0.00 C ATOM 1125 NE ARG A 69 6.965 11.963 5.857 1.00 0.00 N ATOM 1126 CZ ARG A 69 7.660 12.691 4.989 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.197 13.843 5.366 1.00 0.00 N ATOM 1128 NH2 ARG A 69 7.820 12.266 3.743 1.00 0.00 N ATOM 0 H ARG A 69 2.786 11.239 8.614 1.00 0.00 H new ATOM 0 HA ARG A 69 4.956 10.488 10.281 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.265 12.941 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.742 12.852 9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.127 10.588 8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.929 11.206 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.442 13.404 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.675 12.273 7.801 1.00 0.00 H new ATOM 0 HE ARG A 69 6.566 11.081 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.077 14.172 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.730 14.400 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.409 11.379 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.354 12.826 3.078 1.00 0.00 H new ATOM 1142 N HIS A 70 3.166 13.094 11.278 1.00 0.00 N ATOM 1143 CA HIS A 70 2.822 13.899 12.445 1.00 0.00 C ATOM 1144 C HIS A 70 2.531 13.011 13.651 1.00 0.00 C ATOM 1145 O HIS A 70 2.592 13.462 14.796 1.00 0.00 O ATOM 1146 CB HIS A 70 1.611 14.783 12.143 1.00 0.00 C ATOM 1147 CG HIS A 70 1.973 16.128 11.595 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.332 17.194 12.392 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.032 16.578 10.319 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.595 18.242 11.631 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.420 17.894 10.369 1.00 0.00 N ATOM 0 H HIS A 70 2.687 13.369 10.420 1.00 0.00 H new ATOM 0 HA HIS A 70 3.676 14.534 12.682 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.967 14.270 11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.032 14.916 13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.814 16.008 9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.901 19.217 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.552 18.504 9.562 1.00 0.00 H new ATOM 1160 N TYR A 71 2.213 11.749 13.387 1.00 0.00 N ATOM 1161 CA TYR A 71 1.909 10.799 14.450 1.00 0.00 C ATOM 1162 C TYR A 71 3.167 10.060 14.897 1.00 0.00 C ATOM 1163 O TYR A 71 3.286 9.656 16.054 1.00 0.00 O ATOM 1164 CB TYR A 71 0.855 9.795 13.980 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.459 10.434 13.593 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.353 10.872 14.563 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.808 10.599 12.259 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.556 11.456 14.214 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.008 11.183 11.901 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.878 11.609 12.882 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.075 12.190 12.530 1.00 0.00 O ATOM 0 H TYR A 71 2.159 11.360 12.446 1.00 0.00 H new ATOM 0 HA TYR A 71 1.516 11.358 15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.247 9.243 13.126 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.677 9.070 14.774 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.103 10.754 15.607 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.130 10.265 11.488 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.240 11.791 14.980 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.263 11.305 10.859 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.148 12.224 11.553 1.00 0.00 H new ATOM 1181 N TYR A 72 4.105 9.889 13.972 1.00 0.00 N ATOM 1182 CA TYR A 72 5.354 9.198 14.268 1.00 0.00 C ATOM 1183 C TYR A 72 5.968 9.715 15.566 1.00 0.00 C ATOM 1184 O TYR A 72 6.513 8.946 16.358 1.00 0.00 O ATOM 1185 CB TYR A 72 6.345 9.375 13.116 1.00 0.00 C ATOM 1186 CG TYR A 72 5.922 8.679 11.842 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.751 7.934 11.790 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.695 8.766 10.691 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.361 7.296 10.628 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.312 8.133 9.524 1.00 0.00 C ATOM 1191 CZ TYR A 72 5.144 7.399 9.498 1.00 0.00 C ATOM 1192 OH TYR A 72 4.761 6.766 8.338 1.00 0.00 O ATOM 0 H TYR A 72 4.024 10.220 13.011 1.00 0.00 H new ATOM 0 HA TYR A 72 5.133 8.137 14.389 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.469 10.439 12.915 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.318 8.993 13.423 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.135 7.852 12.673 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.611 9.338 10.709 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.448 6.720 10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.923 8.212 8.637 1.00 0.00 H new ATOM 0 HH TYR A 72 4.120 6.056 8.549 1.00 0.00 H new ATOM 1202 N LYS A 73 5.874 11.023 15.777 1.00 0.00 N ATOM 1203 CA LYS A 73 6.417 11.646 16.978 1.00 0.00 C ATOM 1204 C LYS A 73 5.593 11.270 18.206 1.00 0.00 C ATOM 1205 O LYS A 73 6.109 11.228 19.323 1.00 0.00 O ATOM 1206 CB LYS A 73 6.450 13.167 16.819 1.00 0.00 C ATOM 1207 CG LYS A 73 7.747 13.689 16.224 1.00 0.00 C ATOM 1208 CD LYS A 73 7.808 13.449 14.725 1.00 0.00 C ATOM 1209 CE LYS A 73 7.224 14.620 13.949 1.00 0.00 C ATOM 1210 NZ LYS A 73 5.794 14.854 14.291 1.00 0.00 N ATOM 0 H LYS A 73 5.426 11.673 15.131 1.00 0.00 H new ATOM 0 HA LYS A 73 7.434 11.280 17.118 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.619 13.476 16.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.295 13.629 17.794 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.838 14.756 16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.593 13.200 16.707 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.843 13.291 14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.261 12.539 14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.800 15.520 14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.315 14.429 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.391 15.555 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.267 13.961 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.724 15.210 15.266 1.00 0.00 H new ATOM 1224 N LEU A 74 4.311 10.998 17.991 1.00 0.00 N ATOM 1225 CA LEU A 74 3.415 10.624 19.080 1.00 0.00 C ATOM 1226 C LEU A 74 3.545 9.140 19.407 1.00 0.00 C ATOM 1227 O LEU A 74 2.697 8.569 20.091 1.00 0.00 O ATOM 1228 CB LEU A 74 1.967 10.952 18.711 1.00 0.00 C ATOM 1229 CG LEU A 74 1.521 12.393 18.961 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.451 12.802 17.960 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.011 12.554 20.386 1.00 0.00 C ATOM 0 H LEU A 74 3.868 11.029 17.073 1.00 0.00 H new ATOM 0 HA LEU A 74 3.697 11.198 19.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.822 10.726 17.655 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.310 10.287 19.272 1.00 0.00 H new ATOM 0 HG LEU A 74 2.382 13.048 18.829 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.146 13.830 18.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.851 12.726 16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.411 12.143 18.060 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.698 13.586 20.546 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.163 11.888 20.546 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.807 12.303 21.088 1.00 0.00 H new ATOM 1243 N ASN A 75 4.614 8.522 18.915 1.00 0.00 N ATOM 1244 CA ASN A 75 4.856 7.104 19.156 1.00 0.00 C ATOM 1245 C ASN A 75 3.625 6.275 18.802 1.00 0.00 C ATOM 1246 O ASN A 75 3.232 5.378 19.550 1.00 0.00 O ATOM 1247 CB ASN A 75 5.237 6.872 20.619 1.00 0.00 C ATOM 1248 CG ASN A 75 6.127 5.658 20.799 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.335 5.784 21.003 1.00 0.00 O ATOM 1250 ND2 ASN A 75 5.533 4.473 20.724 1.00 0.00 N ATOM 0 H ASN A 75 5.326 8.981 18.347 1.00 0.00 H new ATOM 0 HA ASN A 75 5.681 6.788 18.518 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.749 7.755 21.003 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.331 6.746 21.212 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.081 3.620 20.837 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.529 4.416 20.553 1.00 0.00 H new ATOM 1257 N ILE A 76 3.022 6.579 17.658 1.00 0.00 N ATOM 1258 CA ILE A 76 1.838 5.860 17.204 1.00 0.00 C ATOM 1259 C ILE A 76 2.157 4.979 16.002 1.00 0.00 C ATOM 1260 O ILE A 76 1.619 3.879 15.865 1.00 0.00 O ATOM 1261 CB ILE A 76 0.701 6.829 16.829 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.504 7.871 17.932 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.589 6.061 16.582 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.685 8.777 17.703 1.00 0.00 C ATOM 0 H ILE A 76 3.334 7.318 17.028 1.00 0.00 H new ATOM 0 HA ILE A 76 1.512 5.233 18.034 1.00 0.00 H new ATOM 0 HB ILE A 76 0.974 7.348 15.910 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.382 7.359 18.886 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.405 8.480 18.010 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.383 6.759 16.318 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.441 5.354 15.766 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.868 5.519 17.485 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.763 9.490 18.524 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.556 9.317 16.765 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.595 8.178 17.655 1.00 0.00 H new ATOM 1276 N ILE A 77 3.036 5.467 15.134 1.00 0.00 N ATOM 1277 CA ILE A 77 3.429 4.722 13.944 1.00 0.00 C ATOM 1278 C ILE A 77 4.913 4.909 13.643 1.00 0.00 C ATOM 1279 O ILE A 77 5.414 6.033 13.618 1.00 0.00 O ATOM 1280 CB ILE A 77 2.609 5.152 12.713 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.113 4.985 12.987 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.024 4.345 11.492 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.232 5.693 11.981 1.00 0.00 C ATOM 0 H ILE A 77 3.490 6.375 15.232 1.00 0.00 H new ATOM 0 HA ILE A 77 3.232 3.670 14.152 1.00 0.00 H new ATOM 0 HB ILE A 77 2.807 6.205 12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.868 3.923 12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.890 5.365 13.984 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.436 4.660 10.630 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.082 4.510 11.289 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.852 3.285 11.681 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.815 5.532 12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.449 6.761 11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.427 5.297 10.984 1.00 0.00 H new ATOM 1295 N ARG A 78 5.609 3.801 13.413 1.00 0.00 N ATOM 1296 CA ARG A 78 7.035 3.843 13.113 1.00 0.00 C ATOM 1297 C ARG A 78 7.299 3.428 11.668 1.00 0.00 C ATOM 1298 O ARG A 78 7.147 2.260 11.309 1.00 0.00 O ATOM 1299 CB ARG A 78 7.806 2.928 14.066 1.00 0.00 C ATOM 1300 CG ARG A 78 9.223 3.398 14.349 1.00 0.00 C ATOM 1301 CD ARG A 78 9.233 4.644 15.222 1.00 0.00 C ATOM 1302 NE ARG A 78 10.557 4.913 15.776 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.571 5.387 15.060 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.412 5.643 13.769 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.746 5.607 15.636 1.00 0.00 N ATOM 0 H ARG A 78 5.209 2.863 13.429 1.00 0.00 H new ATOM 0 HA ARG A 78 7.379 4.869 13.247 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.261 2.856 15.007 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.843 1.925 13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.780 2.602 14.843 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.733 3.607 13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.905 5.501 14.634 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.517 4.523 16.035 1.00 0.00 H new ATOM 0 HE ARG A 78 10.712 4.727 16.767 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.510 5.476 13.323 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.192 6.007 13.221 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.871 5.412 16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.524 5.971 15.085 1.00 0.00 H new ATOM 1319 N LYS A 79 7.694 4.392 10.844 1.00 0.00 N ATOM 1320 CA LYS A 79 7.980 4.129 9.439 1.00 0.00 C ATOM 1321 C LYS A 79 9.193 3.216 9.292 1.00 0.00 C ATOM 1322 O LYS A 79 10.327 3.636 9.518 1.00 0.00 O ATOM 1323 CB LYS A 79 8.223 5.442 8.692 1.00 0.00 C ATOM 1324 CG LYS A 79 7.947 5.354 7.201 1.00 0.00 C ATOM 1325 CD LYS A 79 8.086 6.709 6.527 1.00 0.00 C ATOM 1326 CE LYS A 79 8.539 6.569 5.082 1.00 0.00 C ATOM 1327 NZ LYS A 79 9.960 6.135 4.986 1.00 0.00 N ATOM 0 H LYS A 79 7.824 5.364 11.125 1.00 0.00 H new ATOM 0 HA LYS A 79 7.115 3.627 9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.592 6.218 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.257 5.751 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.638 4.646 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.941 4.967 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.131 7.233 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.803 7.318 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.903 5.846 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.415 7.522 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.332 6.371 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.522 6.623 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.020 5.107 5.134 1.00 0.00 H new ATOM 1341 N GLU A 80 8.945 1.967 8.912 1.00 0.00 N ATOM 1342 CA GLU A 80 10.018 0.996 8.735 1.00 0.00 C ATOM 1343 C GLU A 80 11.185 1.608 7.965 1.00 0.00 C ATOM 1344 O GLU A 80 11.003 2.379 7.022 1.00 0.00 O ATOM 1345 CB GLU A 80 9.501 -0.242 7.999 1.00 0.00 C ATOM 1346 CG GLU A 80 8.454 -1.021 8.778 1.00 0.00 C ATOM 1347 CD GLU A 80 9.065 -2.071 9.685 1.00 0.00 C ATOM 1348 OE1 GLU A 80 9.532 -1.708 10.784 1.00 0.00 O ATOM 1349 OE2 GLU A 80 9.075 -3.258 9.294 1.00 0.00 O ATOM 0 H GLU A 80 8.011 1.604 8.721 1.00 0.00 H new ATOM 0 HA GLU A 80 10.372 0.701 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.076 0.065 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.341 -0.900 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.862 -0.329 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.770 -1.503 8.079 1.00 0.00 H new ATOM 1356 N PRO A 81 12.413 1.259 8.376 1.00 0.00 N ATOM 1357 CA PRO A 81 13.634 1.763 7.739 1.00 0.00 C ATOM 1358 C PRO A 81 13.834 1.194 6.339 1.00 0.00 C ATOM 1359 O PRO A 81 13.359 0.103 6.028 1.00 0.00 O ATOM 1360 CB PRO A 81 14.746 1.283 8.675 1.00 0.00 C ATOM 1361 CG PRO A 81 14.179 0.084 9.354 1.00 0.00 C ATOM 1362 CD PRO A 81 12.704 0.345 9.493 1.00 0.00 C ATOM 0 HA PRO A 81 13.608 2.844 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.650 1.033 8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.017 2.055 9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.362 -0.818 8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.642 -0.068 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.124 -0.575 9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.465 0.798 10.455 1.00 0.00 H new ATOM 1370 N GLY A 82 14.541 1.942 5.497 1.00 0.00 N ATOM 1371 CA GLY A 82 14.792 1.495 4.139 1.00 0.00 C ATOM 1372 C GLY A 82 13.566 1.610 3.255 1.00 0.00 C ATOM 1373 O GLY A 82 13.586 2.313 2.245 1.00 0.00 O ATOM 0 H GLY A 82 14.944 2.849 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.602 2.084 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.127 0.458 4.157 1.00 0.00 H new ATOM 1377 N GLN A 83 12.497 0.917 3.634 1.00 0.00 N ATOM 1378 CA GLN A 83 11.258 0.943 2.866 1.00 0.00 C ATOM 1379 C GLN A 83 10.726 2.367 2.740 1.00 0.00 C ATOM 1380 O GLN A 83 11.288 3.303 3.310 1.00 0.00 O ATOM 1381 CB GLN A 83 10.206 0.050 3.526 1.00 0.00 C ATOM 1382 CG GLN A 83 10.286 -1.405 3.093 1.00 0.00 C ATOM 1383 CD GLN A 83 11.214 -2.224 3.969 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.821 -1.704 4.906 1.00 0.00 O ATOM 1385 NE2 GLN A 83 11.329 -3.512 3.668 1.00 0.00 N ATOM 0 H GLN A 83 12.464 0.331 4.468 1.00 0.00 H new ATOM 0 HA GLN A 83 11.471 0.564 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.322 0.105 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.214 0.436 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.288 -1.843 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 83 10.630 -1.454 2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.807 -3.901 2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.939 -4.113 4.222 1.00 0.00 H new ATOM 1394 N ARG A 84 9.641 2.524 1.989 1.00 0.00 N ATOM 1395 CA ARG A 84 9.035 3.834 1.787 1.00 0.00 C ATOM 1396 C ARG A 84 7.553 3.810 2.151 1.00 0.00 C ATOM 1397 O ARG A 84 7.071 4.668 2.892 1.00 0.00 O ATOM 1398 CB ARG A 84 9.206 4.280 0.333 1.00 0.00 C ATOM 1399 CG ARG A 84 9.243 5.789 0.159 1.00 0.00 C ATOM 1400 CD ARG A 84 10.660 6.329 0.270 1.00 0.00 C ATOM 1401 NE ARG A 84 10.779 7.673 -0.287 1.00 0.00 N ATOM 1402 CZ ARG A 84 11.937 8.227 -0.630 1.00 0.00 C ATOM 1403 NH1 ARG A 84 13.069 7.555 -0.474 1.00 0.00 N ATOM 1404 NH2 ARG A 84 11.964 9.456 -1.130 1.00 0.00 N ATOM 0 H ARG A 84 9.164 1.760 1.510 1.00 0.00 H new ATOM 0 HA ARG A 84 9.541 4.545 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.128 3.855 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.387 3.874 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.827 6.054 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.613 6.259 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.962 6.343 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.345 5.659 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 84 9.926 8.217 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.052 6.610 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.957 7.983 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.095 9.976 -1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.854 9.880 -1.393 1.00 0.00 H new ATOM 1418 N LEU A 85 6.836 2.822 1.627 1.00 0.00 N ATOM 1419 CA LEU A 85 5.409 2.686 1.896 1.00 0.00 C ATOM 1420 C LEU A 85 5.147 1.549 2.878 1.00 0.00 C ATOM 1421 O LEU A 85 4.398 0.617 2.580 1.00 0.00 O ATOM 1422 CB LEU A 85 4.646 2.438 0.594 1.00 0.00 C ATOM 1423 CG LEU A 85 4.253 3.683 -0.201 1.00 0.00 C ATOM 1424 CD1 LEU A 85 4.203 3.372 -1.689 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.913 4.222 0.278 1.00 0.00 C ATOM 0 H LEU A 85 7.220 2.103 1.013 1.00 0.00 H new ATOM 0 HA LEU A 85 5.058 3.616 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.257 1.801 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.740 1.880 0.828 1.00 0.00 H new ATOM 0 HG LEU A 85 5.010 4.450 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.922 4.270 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.184 3.034 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.468 2.589 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.650 5.108 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.145 3.460 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.983 4.484 1.334 1.00 0.00 H new ATOM 1437 N LEU A 86 5.765 1.632 4.051 1.00 0.00 N ATOM 1438 CA LEU A 86 5.597 0.610 5.079 1.00 0.00 C ATOM 1439 C LEU A 86 5.418 1.246 6.454 1.00 0.00 C ATOM 1440 O LEU A 86 6.241 2.051 6.889 1.00 0.00 O ATOM 1441 CB LEU A 86 6.803 -0.331 5.092 1.00 0.00 C ATOM 1442 CG LEU A 86 6.517 -1.783 5.477 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.732 -1.845 6.778 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.762 -2.491 4.362 1.00 0.00 C ATOM 0 H LEU A 86 6.387 2.396 4.314 1.00 0.00 H new ATOM 0 HA LEU A 86 4.700 0.037 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.257 -0.321 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.543 0.069 5.785 1.00 0.00 H new ATOM 0 HG LEU A 86 7.468 -2.294 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.538 -2.886 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.310 -1.375 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.785 -1.318 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.567 -3.523 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.816 -1.980 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.361 -2.478 3.452 1.00 0.00 H new ATOM 1456 N PHE A 87 4.338 0.877 7.134 1.00 0.00 N ATOM 1457 CA PHE A 87 4.050 1.410 8.461 1.00 0.00 C ATOM 1458 C PHE A 87 3.649 0.293 9.420 1.00 0.00 C ATOM 1459 O PHE A 87 3.139 -0.746 9.002 1.00 0.00 O ATOM 1460 CB PHE A 87 2.936 2.455 8.383 1.00 0.00 C ATOM 1461 CG PHE A 87 3.014 3.325 7.161 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.933 4.359 7.087 1.00 0.00 C ATOM 1463 CD2 PHE A 87 2.169 3.107 6.085 1.00 0.00 C ATOM 1464 CE1 PHE A 87 4.005 5.161 5.964 1.00 0.00 C ATOM 1465 CE2 PHE A 87 2.237 3.905 4.958 1.00 0.00 C ATOM 1466 CZ PHE A 87 3.158 4.933 4.898 1.00 0.00 C ATOM 0 H PHE A 87 3.647 0.211 6.788 1.00 0.00 H new ATOM 0 HA PHE A 87 4.956 1.883 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.971 1.948 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.977 3.085 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.601 4.540 7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.448 2.304 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.724 5.966 5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.572 3.725 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.215 5.557 4.019 1.00 0.00 H new ATOM 1476 N ARG A 88 3.885 0.516 10.709 1.00 0.00 N ATOM 1477 CA ARG A 88 3.550 -0.471 11.728 1.00 0.00 C ATOM 1478 C ARG A 88 2.806 0.179 12.891 1.00 0.00 C ATOM 1479 O ARG A 88 3.256 1.180 13.448 1.00 0.00 O ATOM 1480 CB ARG A 88 4.818 -1.157 12.240 1.00 0.00 C ATOM 1481 CG ARG A 88 5.449 -0.458 13.433 1.00 0.00 C ATOM 1482 CD ARG A 88 6.634 -1.242 13.976 1.00 0.00 C ATOM 1483 NE ARG A 88 7.601 -0.378 14.648 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.851 -0.740 14.912 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.285 -1.943 14.561 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.671 0.102 15.527 1.00 0.00 N ATOM 0 H ARG A 88 4.307 1.371 11.072 1.00 0.00 H new ATOM 0 HA ARG A 88 2.899 -1.218 11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.579 -2.184 12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.547 -1.206 11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.775 0.540 13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.704 -0.332 14.218 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.278 -1.999 14.674 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.126 -1.769 13.158 1.00 0.00 H new ATOM 0 HE ARG A 88 7.300 0.555 14.930 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.658 -2.593 14.087 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.246 -2.218 14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.342 1.029 15.798 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.631 -0.177 15.729 1.00 0.00 H new ATOM 1500 N PHE A 89 1.664 -0.398 13.252 1.00 0.00 N ATOM 1501 CA PHE A 89 0.856 0.126 14.348 1.00 0.00 C ATOM 1502 C PHE A 89 1.462 -0.248 15.697 1.00 0.00 C ATOM 1503 O PHE A 89 0.939 -1.106 16.408 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.575 -0.406 14.253 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.364 0.194 13.125 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.669 1.545 13.117 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.802 -0.594 12.073 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -2.395 2.100 12.079 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.528 -0.045 11.033 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.826 1.304 11.037 1.00 0.00 C ATOM 0 H PHE A 89 1.277 -1.228 12.802 1.00 0.00 H new ATOM 0 HA PHE A 89 0.838 1.213 14.267 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.544 -1.488 14.129 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.091 -0.208 15.192 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.336 2.172 13.931 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.573 -1.650 12.066 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.625 3.155 12.084 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.862 -0.670 10.218 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.395 1.735 10.226 1.00 0.00 H new ATOM 1520 N MET A 90 2.568 0.402 16.043 1.00 0.00 N ATOM 1521 CA MET A 90 3.245 0.139 17.308 1.00 0.00 C ATOM 1522 C MET A 90 2.235 -0.087 18.428 1.00 0.00 C ATOM 1523 O MET A 90 2.017 -1.219 18.862 1.00 0.00 O ATOM 1524 CB MET A 90 4.171 1.303 17.667 1.00 0.00 C ATOM 1525 CG MET A 90 5.391 1.409 16.766 1.00 0.00 C ATOM 1526 SD MET A 90 6.774 0.410 17.349 1.00 0.00 S ATOM 1527 CE MET A 90 7.420 1.453 18.653 1.00 0.00 C ATOM 0 H MET A 90 3.015 1.114 15.466 1.00 0.00 H new ATOM 0 HA MET A 90 3.840 -0.767 17.192 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.608 2.235 17.613 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.501 1.189 18.700 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.121 1.096 15.757 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.702 2.452 16.703 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.501 1.543 18.545 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.965 2.441 18.588 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.188 1.010 19.622 1.00 0.00 H new ATOM 1537 N LYS A 91 1.622 0.996 18.894 1.00 0.00 N ATOM 1538 CA LYS A 91 0.635 0.916 19.964 1.00 0.00 C ATOM 1539 C LYS A 91 -0.779 0.847 19.395 1.00 0.00 C ATOM 1540 O LYS A 91 -1.045 1.347 18.301 1.00 0.00 O ATOM 1541 CB LYS A 91 0.763 2.124 20.895 1.00 0.00 C ATOM 1542 CG LYS A 91 0.328 1.840 22.322 1.00 0.00 C ATOM 1543 CD LYS A 91 0.306 3.107 23.161 1.00 0.00 C ATOM 1544 CE LYS A 91 -0.272 2.849 24.544 1.00 0.00 C ATOM 1545 NZ LYS A 91 0.661 2.063 25.398 1.00 0.00 N ATOM 0 H LYS A 91 1.792 1.940 18.547 1.00 0.00 H new ATOM 0 HA LYS A 91 0.824 0.005 20.532 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.800 2.460 20.900 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.164 2.944 20.498 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.664 1.388 22.318 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.006 1.116 22.773 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.318 3.500 23.256 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.285 3.870 22.655 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.493 3.800 25.028 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.216 2.313 24.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.230 1.908 26.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.853 1.145 24.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.553 2.586 25.511 1.00 0.00 H new ATOM 1559 N THR A 92 -1.684 0.226 20.144 1.00 0.00 N ATOM 1560 CA THR A 92 -3.070 0.092 19.715 1.00 0.00 C ATOM 1561 C THR A 92 -3.737 1.455 19.575 1.00 0.00 C ATOM 1562 O THR A 92 -3.521 2.364 20.378 1.00 0.00 O ATOM 1563 CB THR A 92 -3.884 -0.766 20.703 1.00 0.00 C ATOM 1564 OG1 THR A 92 -5.172 -1.061 20.150 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.050 -0.048 22.033 1.00 0.00 C ATOM 0 H THR A 92 -1.482 -0.193 21.052 1.00 0.00 H new ATOM 0 HA THR A 92 -3.053 -0.403 18.744 1.00 0.00 H new ATOM 0 HB THR A 92 -3.342 -1.696 20.875 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.682 -1.608 20.783 1.00 0.00 H new ATOM 0 HG21 THR A 92 -4.628 -0.673 22.714 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.069 0.149 22.465 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.573 0.895 21.874 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.568 1.605 18.533 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.284 2.856 18.264 1.00 0.00 C ATOM 1575 C PRO A 93 -6.371 3.134 19.296 1.00 0.00 C ATOM 1576 O PRO A 93 -6.700 4.288 19.570 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.903 2.620 16.885 1.00 0.00 C ATOM 1578 CG PRO A 93 -6.034 1.140 16.776 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.872 0.565 17.536 1.00 0.00 C ATOM 0 HA PRO A 93 -4.623 3.722 18.307 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.872 3.111 16.797 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.270 3.021 16.093 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.981 0.800 17.195 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.014 0.822 15.734 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.131 -0.382 18.009 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.020 0.373 16.883 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.925 2.069 19.867 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.975 2.199 20.870 1.00 0.00 C ATOM 1589 C ASP A 94 -7.421 2.788 22.164 1.00 0.00 C ATOM 1590 O ASP A 94 -8.174 3.112 23.081 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.616 0.838 21.148 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.654 0.464 20.109 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.719 1.114 20.074 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -9.401 -0.480 19.330 1.00 0.00 O ATOM 0 H ASP A 94 -6.664 1.107 19.652 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.734 2.877 20.479 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.840 0.073 21.174 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.082 0.853 22.133 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.100 2.922 22.228 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.445 3.470 23.411 1.00 0.00 C ATOM 1601 C GLU A 95 -5.291 4.984 23.295 1.00 0.00 C ATOM 1602 O GLU A 95 -5.562 5.720 24.244 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.074 2.821 23.609 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.112 1.570 24.471 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.218 1.885 25.951 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.323 2.256 26.400 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.198 1.760 26.659 1.00 0.00 O ATOM 0 H GLU A 95 -5.463 2.659 21.476 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.071 3.251 24.276 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.657 2.568 22.634 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.400 3.546 24.065 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.960 0.953 24.173 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.212 0.982 24.292 1.00 0.00 H new ATOM 1794 N LEU A 107 -4.539 17.260 15.446 1.00 0.00 N ATOM 1795 CA LEU A 107 -3.821 16.952 14.214 1.00 0.00 C ATOM 1796 C LEU A 107 -4.754 16.328 13.182 1.00 0.00 C ATOM 1797 O LEU A 107 -4.311 15.618 12.280 1.00 0.00 O ATOM 1798 CB LEU A 107 -2.656 16.004 14.503 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.520 16.576 15.353 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -0.768 15.460 16.060 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -0.573 17.400 14.493 1.00 0.00 C ATOM 0 HA LEU A 107 -3.430 17.885 13.807 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.049 15.120 15.005 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.240 15.672 13.552 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.952 17.230 16.110 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.036 15.886 16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.453 14.913 16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.347 14.779 15.320 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.229 17.799 15.114 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.148 16.769 13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.121 18.223 14.035 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.048 16.602 13.319 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.043 16.068 12.397 1.00 0.00 C ATOM 1815 C GLU A 108 -7.203 16.977 11.182 1.00 0.00 C ATOM 1816 O GLU A 108 -7.309 16.506 10.050 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.390 15.903 13.104 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.379 15.041 12.337 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.215 15.843 11.358 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.262 16.382 11.773 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -9.820 15.932 10.176 1.00 0.00 O ATOM 0 H GLU A 108 -6.431 17.190 14.059 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.697 15.092 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.223 15.463 14.087 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.829 16.888 13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.836 14.266 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.038 14.535 13.043 1.00 0.00 H new ATOM 1828 N SER A 109 -7.218 18.284 11.427 1.00 0.00 N ATOM 1829 CA SER A 109 -7.369 19.260 10.354 1.00 0.00 C ATOM 1830 C SER A 109 -6.070 20.030 10.134 1.00 0.00 C ATOM 1831 O SER A 109 -5.601 20.166 9.004 1.00 0.00 O ATOM 1832 CB SER A 109 -8.503 20.234 10.678 1.00 0.00 C ATOM 1833 OG SER A 109 -8.784 21.075 9.573 1.00 0.00 O ATOM 0 H SER A 109 -7.128 18.691 12.358 1.00 0.00 H new ATOM 0 HA SER A 109 -7.612 18.722 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.399 19.676 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.230 20.841 11.541 1.00 0.00 H new ATOM 0 HG SER A 109 -9.513 21.687 9.805 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.494 20.531 11.222 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.250 21.287 11.148 1.00 0.00 C ATOM 1841 C GLN A 110 -3.344 20.740 10.050 1.00 0.00 C ATOM 1842 O GLN A 110 -2.924 21.474 9.157 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.523 21.246 12.494 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.167 21.932 12.473 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.371 21.690 13.741 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -1.936 21.410 14.798 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.051 21.796 13.640 1.00 0.00 N ATOM 0 H GLN A 110 -5.869 20.427 12.165 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.497 22.321 10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.149 21.720 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.391 20.207 12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.596 21.574 11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.308 23.004 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.375 22.030 12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.537 21.643 14.459 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.048 19.446 10.125 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.191 18.801 9.137 1.00 0.00 C ATOM 1858 C GLU A 111 -2.744 18.995 7.728 1.00 0.00 C ATOM 1859 O GLU A 111 -2.048 19.485 6.837 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.056 17.308 9.443 1.00 0.00 C ATOM 1861 CG GLU A 111 -0.904 16.639 8.712 1.00 0.00 C ATOM 1862 CD GLU A 111 -1.182 16.451 7.233 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.744 15.399 6.863 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -0.838 17.358 6.446 1.00 0.00 O ATOM 0 H GLU A 111 -3.389 18.825 10.859 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.206 19.265 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.919 17.177 10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.986 16.805 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.003 17.240 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.705 15.669 9.167 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.999 18.606 7.533 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.647 18.735 6.232 1.00 0.00 C ATOM 1873 C LEU A 112 -4.442 20.133 5.658 1.00 0.00 C ATOM 1874 O LEU A 112 -4.385 20.314 4.442 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.142 18.435 6.353 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.549 16.971 6.182 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.057 16.819 6.300 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.060 16.435 4.844 1.00 0.00 C ATOM 0 H LEU A 112 -4.588 18.199 8.259 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.192 18.013 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.482 18.774 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.673 19.028 5.608 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.083 16.389 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.328 15.771 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.382 17.164 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.544 17.414 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.358 15.392 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.497 17.021 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.973 16.508 4.798 1.00 0.00 H new