USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=23 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 -15:sc= -0.377 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.533 K(o=0.53,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.129 (180deg=-0.726) 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= -0.0211 K(o=-0.021,f=-1.5!) USER MOD Single : A 52 ASN : amide:sc= -0.065 K(o=-0.065,f=-0.87) USER MOD Single : A 53 HIS : no HE2:sc= -4.76! C(o=-4.8!,f=-3.6!) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= 0.0989 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 59 MET CE :methyl 149:sc= -5.71 (180deg=-7.51!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 61 TYR OH : rot 30:sc= -0.814 USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= -0.117 (180deg=-0.707) USER MOD Single : A 64 MET CE :methyl -119:sc= -0.0695 (180deg=-5.21!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.5) USER MOD Single : A 71 TYR OH : rot -44:sc= -0.444 USER MOD Single : A 72 TYR OH : rot -48:sc= -0.154 USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00233) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0.0297 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.565! C(o=-0.57!,f=-7!) USER MOD Single : A 90 MET CE :methyl -123:sc= -0.108 (180deg=-1.37) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -10.031 11.512 11.091 1.00 0.00 N ATOM 102 CA LEU A 10 -8.575 11.446 11.014 1.00 0.00 C ATOM 103 C LEU A 10 -8.132 10.524 9.883 1.00 0.00 C ATOM 104 O LEU A 10 -8.946 9.817 9.287 1.00 0.00 O ATOM 105 CB LEU A 10 -7.997 10.957 12.343 1.00 0.00 C ATOM 106 CG LEU A 10 -8.292 11.828 13.565 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.236 10.998 14.838 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.313 12.990 13.640 1.00 0.00 C ATOM 0 HA LEU A 10 -8.200 12.449 10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.379 9.955 12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.916 10.871 12.236 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.299 12.233 13.464 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.448 11.634 15.697 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.977 10.200 14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.242 10.563 14.945 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.538 13.599 14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.296 12.605 13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.403 13.600 12.741 1.00 0.00 H new ATOM 120 N LEU A 11 -6.835 10.533 9.593 1.00 0.00 N ATOM 121 CA LEU A 11 -6.282 9.696 8.535 1.00 0.00 C ATOM 122 C LEU A 11 -5.677 8.419 9.111 1.00 0.00 C ATOM 123 O LEU A 11 -6.119 7.314 8.795 1.00 0.00 O ATOM 124 CB LEU A 11 -5.220 10.467 7.750 1.00 0.00 C ATOM 125 CG LEU A 11 -4.189 9.620 7.003 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.862 8.792 5.919 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.104 10.503 6.405 1.00 0.00 C ATOM 0 H LEU A 11 -6.147 11.111 10.076 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.094 9.421 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.725 11.108 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.690 11.122 8.442 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.723 8.939 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.112 8.196 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.601 8.131 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.356 9.455 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.380 9.882 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.553 11.209 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.601 11.051 7.202 1.00 0.00 H new ATOM 139 N TRP A 12 -4.667 8.579 9.957 1.00 0.00 N ATOM 140 CA TRP A 12 -4.003 7.438 10.579 1.00 0.00 C ATOM 141 C TRP A 12 -5.006 6.338 10.907 1.00 0.00 C ATOM 142 O TRP A 12 -4.708 5.152 10.765 1.00 0.00 O ATOM 143 CB TRP A 12 -3.275 7.877 11.850 1.00 0.00 C ATOM 144 CG TRP A 12 -4.161 7.920 13.058 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.157 8.818 13.312 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.128 7.027 14.177 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.747 8.537 14.521 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.134 7.442 15.071 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.350 5.915 14.509 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.378 6.785 16.274 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.593 5.264 15.703 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.600 5.700 16.574 1.00 0.00 C ATOM 0 H TRP A 12 -4.289 9.487 10.229 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.276 7.041 9.871 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.447 7.194 12.040 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.843 8.865 11.690 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.440 9.630 12.659 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.516 9.059 14.941 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.572 5.570 13.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.154 7.120 16.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.996 4.404 15.970 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.765 5.170 17.500 1.00 0.00 H new ATOM 163 N ASP A 13 -6.194 6.738 11.346 1.00 0.00 N ATOM 164 CA ASP A 13 -7.242 5.784 11.693 1.00 0.00 C ATOM 165 C ASP A 13 -7.906 5.226 10.439 1.00 0.00 C ATOM 166 O ASP A 13 -8.201 4.034 10.358 1.00 0.00 O ATOM 167 CB ASP A 13 -8.289 6.448 12.588 1.00 0.00 C ATOM 168 CG ASP A 13 -7.927 6.372 14.058 1.00 0.00 C ATOM 169 OD1 ASP A 13 -7.366 5.339 14.478 1.00 0.00 O ATOM 170 OD2 ASP A 13 -8.205 7.346 14.789 1.00 0.00 O ATOM 0 H ASP A 13 -6.456 7.716 11.470 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.782 4.958 12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.401 7.493 12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.255 5.968 12.430 1.00 0.00 H new ATOM 175 N TYR A 14 -8.140 6.096 9.462 1.00 0.00 N ATOM 176 CA TYR A 14 -8.773 5.692 8.213 1.00 0.00 C ATOM 177 C TYR A 14 -8.159 4.398 7.686 1.00 0.00 C ATOM 178 O TYR A 14 -8.808 3.638 6.967 1.00 0.00 O ATOM 179 CB TYR A 14 -8.636 6.798 7.166 1.00 0.00 C ATOM 180 CG TYR A 14 -8.909 6.332 5.753 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.211 6.185 5.289 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.867 6.038 4.884 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.466 5.759 4.000 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.112 5.613 3.592 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.413 5.475 3.155 1.00 0.00 C ATOM 186 OH TYR A 14 -9.662 5.050 1.870 1.00 0.00 O ATOM 0 H TYR A 14 -7.900 7.086 9.512 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.831 5.518 8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.324 7.607 7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.628 7.211 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.037 6.408 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.847 6.143 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.484 5.649 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.290 5.390 2.928 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.599 4.775 1.792 1.00 0.00 H new ATOM 196 N VAL A 15 -6.904 4.155 8.049 1.00 0.00 N ATOM 197 CA VAL A 15 -6.202 2.953 7.615 1.00 0.00 C ATOM 198 C VAL A 15 -6.931 1.695 8.074 1.00 0.00 C ATOM 199 O VAL A 15 -7.437 0.925 7.257 1.00 0.00 O ATOM 200 CB VAL A 15 -4.759 2.921 8.152 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.047 1.657 7.697 1.00 0.00 C ATOM 202 CG2 VAL A 15 -3.998 4.161 7.707 1.00 0.00 C ATOM 0 H VAL A 15 -6.352 4.774 8.643 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.176 2.978 6.526 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.795 2.916 9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.029 1.653 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.582 0.784 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.019 1.627 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.980 4.122 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.970 4.199 6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.498 5.051 8.088 1.00 0.00 H new ATOM 212 N TYR A 16 -6.981 1.492 9.386 1.00 0.00 N ATOM 213 CA TYR A 16 -7.646 0.326 9.954 1.00 0.00 C ATOM 214 C TYR A 16 -8.962 0.045 9.235 1.00 0.00 C ATOM 215 O TYR A 16 -9.157 -1.033 8.675 1.00 0.00 O ATOM 216 CB TYR A 16 -7.903 0.536 11.447 1.00 0.00 C ATOM 217 CG TYR A 16 -7.894 -0.746 12.249 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.732 -1.496 12.383 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.047 -1.207 12.873 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.719 -2.668 13.114 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.042 -2.376 13.608 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.876 -3.104 13.725 1.00 0.00 C ATOM 223 OH TYR A 16 -7.868 -4.270 14.455 1.00 0.00 O ATOM 0 H TYR A 16 -6.569 2.120 10.076 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.990 -0.534 9.822 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.145 1.210 11.846 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.867 1.028 11.576 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.824 -1.157 11.908 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.962 -0.641 12.782 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.808 -3.240 13.207 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.946 -2.719 14.089 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.763 -4.434 14.820 1.00 0.00 H new ATOM 233 N GLN A 17 -9.860 1.024 9.255 1.00 0.00 N ATOM 234 CA GLN A 17 -11.158 0.883 8.604 1.00 0.00 C ATOM 235 C GLN A 17 -11.036 0.078 7.315 1.00 0.00 C ATOM 236 O GLN A 17 -11.937 -0.684 6.959 1.00 0.00 O ATOM 237 CB GLN A 17 -11.754 2.260 8.306 1.00 0.00 C ATOM 238 CG GLN A 17 -12.362 2.937 9.523 1.00 0.00 C ATOM 239 CD GLN A 17 -13.337 4.037 9.154 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.448 3.770 8.694 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.926 5.284 9.352 1.00 0.00 N ATOM 0 H GLN A 17 -9.713 1.923 9.714 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.821 0.347 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.975 2.902 7.895 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.520 2.156 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.875 2.191 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.565 3.355 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.997 5.460 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.539 6.066 9.121 1.00 0.00 H new ATOM 250 N LEU A 18 -9.918 0.251 6.619 1.00 0.00 N ATOM 251 CA LEU A 18 -9.678 -0.460 5.368 1.00 0.00 C ATOM 252 C LEU A 18 -9.198 -1.883 5.634 1.00 0.00 C ATOM 253 O LEU A 18 -9.865 -2.853 5.271 1.00 0.00 O ATOM 254 CB LEU A 18 -8.647 0.289 4.522 1.00 0.00 C ATOM 255 CG LEU A 18 -9.078 1.658 3.995 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.989 2.261 3.122 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.384 1.545 3.221 1.00 0.00 C ATOM 0 H LEU A 18 -9.163 0.877 6.900 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.619 -0.510 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.744 0.419 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.380 -0.338 3.671 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.240 2.319 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.314 3.235 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.077 2.379 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.794 1.602 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.675 2.529 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.250 0.868 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.163 1.157 3.877 1.00 0.00 H new ATOM 269 N LEU A 19 -8.038 -2.001 6.270 1.00 0.00 N ATOM 270 CA LEU A 19 -7.468 -3.306 6.587 1.00 0.00 C ATOM 271 C LEU A 19 -8.555 -4.284 7.022 1.00 0.00 C ATOM 272 O LEU A 19 -8.628 -5.407 6.525 1.00 0.00 O ATOM 273 CB LEU A 19 -6.417 -3.171 7.690 1.00 0.00 C ATOM 274 CG LEU A 19 -4.983 -2.918 7.224 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.602 -3.890 6.118 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.822 -1.480 6.751 1.00 0.00 C ATOM 0 H LEU A 19 -7.473 -1.209 6.577 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.993 -3.696 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.713 -2.354 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.428 -4.082 8.288 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.313 -3.079 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.578 -3.695 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.678 -4.912 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.277 -3.761 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.795 -1.318 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.502 -1.292 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.053 -0.799 7.570 1.00 0.00 H new ATOM 288 N SER A 20 -9.399 -3.847 7.952 1.00 0.00 N ATOM 289 CA SER A 20 -10.482 -4.684 8.454 1.00 0.00 C ATOM 290 C SER A 20 -11.241 -5.339 7.304 1.00 0.00 C ATOM 291 O SER A 20 -11.589 -6.518 7.368 1.00 0.00 O ATOM 292 CB SER A 20 -11.443 -3.854 9.308 1.00 0.00 C ATOM 293 OG SER A 20 -12.383 -4.682 9.969 1.00 0.00 O ATOM 0 H SER A 20 -9.353 -2.919 8.372 1.00 0.00 H new ATOM 0 HA SER A 20 -10.045 -5.469 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.878 -3.281 10.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.967 -3.135 8.677 1.00 0.00 H new ATOM 0 HG SER A 20 -12.984 -4.128 10.509 1.00 0.00 H new ATOM 299 N ASP A 21 -11.494 -4.566 6.255 1.00 0.00 N ATOM 300 CA ASP A 21 -12.212 -5.069 5.089 1.00 0.00 C ATOM 301 C ASP A 21 -11.238 -5.571 4.027 1.00 0.00 C ATOM 302 O ASP A 21 -10.395 -4.819 3.539 1.00 0.00 O ATOM 303 CB ASP A 21 -13.106 -3.976 4.502 1.00 0.00 C ATOM 304 CG ASP A 21 -14.094 -3.431 5.515 1.00 0.00 C ATOM 305 OD1 ASP A 21 -13.667 -2.671 6.410 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.293 -3.764 5.414 1.00 0.00 O ATOM 0 H ASP A 21 -11.213 -3.588 6.187 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.836 -5.904 5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.484 -3.162 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.650 -4.376 3.647 1.00 0.00 H new ATOM 311 N SER A 22 -11.361 -6.847 3.675 1.00 0.00 N ATOM 312 CA SER A 22 -10.488 -7.451 2.675 1.00 0.00 C ATOM 313 C SER A 22 -10.746 -6.852 1.296 1.00 0.00 C ATOM 314 O SER A 22 -9.840 -6.762 0.467 1.00 0.00 O ATOM 315 CB SER A 22 -10.699 -8.966 2.632 1.00 0.00 C ATOM 316 OG SER A 22 -10.616 -9.529 3.930 1.00 0.00 O ATOM 0 H SER A 22 -12.056 -7.482 4.067 1.00 0.00 H new ATOM 0 HA SER A 22 -9.456 -7.242 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.673 -9.189 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.950 -9.423 1.985 1.00 0.00 H new ATOM 0 HG SER A 22 -10.756 -10.497 3.876 1.00 0.00 H new ATOM 322 N ARG A 23 -11.988 -6.442 1.059 1.00 0.00 N ATOM 323 CA ARG A 23 -12.366 -5.852 -0.220 1.00 0.00 C ATOM 324 C ARG A 23 -11.433 -4.701 -0.584 1.00 0.00 C ATOM 325 O ARG A 23 -11.372 -4.281 -1.740 1.00 0.00 O ATOM 326 CB ARG A 23 -13.812 -5.354 -0.168 1.00 0.00 C ATOM 327 CG ARG A 23 -14.818 -6.440 0.177 1.00 0.00 C ATOM 328 CD ARG A 23 -16.247 -5.937 0.048 1.00 0.00 C ATOM 329 NE ARG A 23 -17.219 -7.024 0.126 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.473 -6.921 -0.302 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.903 -5.786 -0.836 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.298 -7.954 -0.196 1.00 0.00 N ATOM 0 H ARG A 23 -12.749 -6.507 1.735 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.281 -6.622 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.886 -4.555 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.074 -4.922 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.672 -7.296 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.644 -6.788 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.449 -5.213 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.363 -5.414 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.919 -7.911 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.271 -4.990 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.866 -5.709 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.970 -8.828 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.260 -7.874 -0.525 1.00 0.00 H new ATOM 346 N TYR A 24 -10.710 -4.196 0.408 1.00 0.00 N ATOM 347 CA TYR A 24 -9.782 -3.091 0.193 1.00 0.00 C ATOM 348 C TYR A 24 -8.337 -3.561 0.322 1.00 0.00 C ATOM 349 O TYR A 24 -7.465 -2.809 0.757 1.00 0.00 O ATOM 350 CB TYR A 24 -10.056 -1.966 1.192 1.00 0.00 C ATOM 351 CG TYR A 24 -11.437 -1.365 1.065 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.570 -2.107 1.378 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.610 -0.057 0.630 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.834 -1.563 1.263 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.871 0.496 0.513 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.980 -0.261 0.830 1.00 0.00 C ATOM 357 OH TYR A 24 -15.237 0.286 0.714 1.00 0.00 O ATOM 0 H TYR A 24 -10.748 -4.534 1.370 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.933 -2.714 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.928 -2.351 2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.313 -1.180 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.460 -3.126 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.744 0.538 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.704 -2.153 1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.988 1.515 0.175 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.163 1.211 0.398 1.00 0.00 H new ATOM 367 N GLU A 25 -8.091 -4.810 -0.062 1.00 0.00 N ATOM 368 CA GLU A 25 -6.751 -5.381 0.011 1.00 0.00 C ATOM 369 C GLU A 25 -5.874 -4.858 -1.123 1.00 0.00 C ATOM 370 O GLU A 25 -4.756 -4.397 -0.896 1.00 0.00 O ATOM 371 CB GLU A 25 -6.819 -6.909 -0.046 1.00 0.00 C ATOM 372 CG GLU A 25 -6.942 -7.564 1.319 1.00 0.00 C ATOM 373 CD GLU A 25 -7.014 -9.076 1.236 1.00 0.00 C ATOM 374 OE1 GLU A 25 -7.783 -9.588 0.395 1.00 0.00 O ATOM 375 OE2 GLU A 25 -6.302 -9.748 2.011 1.00 0.00 O ATOM 0 H GLU A 25 -8.801 -5.445 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.307 -5.079 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.671 -7.204 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.924 -7.286 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.088 -7.278 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.835 -7.188 1.819 1.00 0.00 H new ATOM 382 N ASN A 26 -6.391 -4.932 -2.345 1.00 0.00 N ATOM 383 CA ASN A 26 -5.656 -4.467 -3.516 1.00 0.00 C ATOM 384 C ASN A 26 -4.995 -3.120 -3.243 1.00 0.00 C ATOM 385 O ASN A 26 -3.907 -2.837 -3.745 1.00 0.00 O ATOM 386 CB ASN A 26 -6.592 -4.354 -4.721 1.00 0.00 C ATOM 387 CG ASN A 26 -7.416 -5.610 -4.932 1.00 0.00 C ATOM 388 OD1 ASN A 26 -8.274 -5.947 -4.116 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.159 -6.308 -6.031 1.00 0.00 N ATOM 0 H ASN A 26 -7.316 -5.310 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.877 -5.196 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.260 -3.504 -4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.004 -4.153 -5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.682 -7.162 -6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.439 -5.991 -6.680 1.00 0.00 H new ATOM 396 N PHE A 27 -5.660 -2.292 -2.444 1.00 0.00 N ATOM 397 CA PHE A 27 -5.138 -0.973 -2.104 1.00 0.00 C ATOM 398 C PHE A 27 -4.200 -1.053 -0.903 1.00 0.00 C ATOM 399 O PHE A 27 -3.111 -0.477 -0.913 1.00 0.00 O ATOM 400 CB PHE A 27 -6.286 -0.008 -1.805 1.00 0.00 C ATOM 401 CG PHE A 27 -7.077 0.378 -3.023 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.440 0.853 -4.157 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.458 0.265 -3.032 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.164 1.208 -5.279 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.188 0.618 -4.152 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.540 1.092 -5.276 1.00 0.00 C ATOM 0 H PHE A 27 -6.561 -2.511 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.574 -0.601 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.955 -0.467 -1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.882 0.893 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.364 0.947 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.970 -0.103 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.654 1.576 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.264 0.523 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.108 1.371 -6.151 1.00 0.00 H new ATOM 416 N ILE A 28 -4.631 -1.769 0.130 1.00 0.00 N ATOM 417 CA ILE A 28 -3.830 -1.924 1.338 1.00 0.00 C ATOM 418 C ILE A 28 -4.133 -3.248 2.032 1.00 0.00 C ATOM 419 O ILE A 28 -5.288 -3.557 2.326 1.00 0.00 O ATOM 420 CB ILE A 28 -4.076 -0.771 2.329 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.189 -0.933 3.565 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.544 -0.719 2.727 1.00 0.00 C ATOM 423 CD1 ILE A 28 -2.916 0.368 4.287 1.00 0.00 C ATOM 0 H ILE A 28 -5.530 -2.251 0.155 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.785 -1.909 1.028 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.818 0.169 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.665 -1.629 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.241 -1.379 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.702 0.101 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.156 -0.561 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.826 -1.660 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.281 0.178 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.412 1.060 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.858 0.806 4.617 1.00 0.00 H new ATOM 435 N ARG A 29 -3.087 -4.027 2.291 1.00 0.00 N ATOM 436 CA ARG A 29 -3.241 -5.318 2.951 1.00 0.00 C ATOM 437 C ARG A 29 -2.344 -5.409 4.183 1.00 0.00 C ATOM 438 O ARG A 29 -1.528 -4.523 4.435 1.00 0.00 O ATOM 439 CB ARG A 29 -2.909 -6.453 1.981 1.00 0.00 C ATOM 440 CG ARG A 29 -1.533 -6.328 1.346 1.00 0.00 C ATOM 441 CD ARG A 29 -1.456 -7.089 0.031 1.00 0.00 C ATOM 442 NE ARG A 29 -0.076 -7.338 -0.377 1.00 0.00 N ATOM 443 CZ ARG A 29 0.258 -8.105 -1.409 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.683 -8.693 -2.134 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.536 -8.283 -1.718 1.00 0.00 N ATOM 0 H ARG A 29 -2.125 -3.786 2.054 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.279 -5.413 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.970 -7.403 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.662 -6.479 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.305 -5.276 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.778 -6.709 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.982 -8.039 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.967 -6.522 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 29 0.672 -6.899 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.666 -8.557 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.424 -9.281 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.263 -7.831 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.792 -8.872 -2.510 1.00 0.00 H new ATOM 459 N TRP A 30 -2.504 -6.484 4.945 1.00 0.00 N ATOM 460 CA TRP A 30 -1.710 -6.690 6.151 1.00 0.00 C ATOM 461 C TRP A 30 -0.398 -7.396 5.825 1.00 0.00 C ATOM 462 O TRP A 30 -0.394 -8.545 5.386 1.00 0.00 O ATOM 463 CB TRP A 30 -2.501 -7.506 7.175 1.00 0.00 C ATOM 464 CG TRP A 30 -3.376 -6.666 8.056 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.730 -6.766 8.200 1.00 0.00 C ATOM 466 CD2 TRP A 30 -2.956 -5.598 8.912 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.178 -5.824 9.095 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.109 -5.096 9.546 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.719 -5.019 9.206 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.059 -4.041 10.454 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.671 -3.972 10.107 1.00 0.00 C ATOM 472 CH2 TRP A 30 -2.834 -3.493 10.723 1.00 0.00 C ATOM 0 H TRP A 30 -3.176 -7.226 4.750 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.480 -5.713 6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.119 -8.234 6.650 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.805 -8.068 7.797 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.357 -7.480 7.686 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.149 -5.689 9.377 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.816 -5.383 8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.955 -3.669 10.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.720 -3.515 10.340 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.763 -2.675 11.424 1.00 0.00 H new ATOM 483 N GLU A 31 0.714 -6.700 6.043 1.00 0.00 N ATOM 484 CA GLU A 31 2.031 -7.261 5.771 1.00 0.00 C ATOM 485 C GLU A 31 2.412 -8.293 6.829 1.00 0.00 C ATOM 486 O GLU A 31 2.727 -9.439 6.509 1.00 0.00 O ATOM 487 CB GLU A 31 3.084 -6.151 5.723 1.00 0.00 C ATOM 488 CG GLU A 31 2.849 -5.138 4.616 1.00 0.00 C ATOM 489 CD GLU A 31 2.935 -5.754 3.233 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.064 -5.934 2.732 1.00 0.00 O ATOM 491 OE2 GLU A 31 1.871 -6.057 2.652 1.00 0.00 O ATOM 0 H GLU A 31 0.728 -5.747 6.407 1.00 0.00 H new ATOM 0 HA GLU A 31 1.993 -7.757 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.097 -5.633 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.068 -6.601 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.867 -4.684 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.584 -4.337 4.699 1.00 0.00 H new ATOM 498 N ASP A 32 2.382 -7.876 8.090 1.00 0.00 N ATOM 499 CA ASP A 32 2.724 -8.763 9.197 1.00 0.00 C ATOM 500 C ASP A 32 1.713 -8.630 10.331 1.00 0.00 C ATOM 501 O ASP A 32 1.931 -7.888 11.289 1.00 0.00 O ATOM 502 CB ASP A 32 4.130 -8.453 9.712 1.00 0.00 C ATOM 503 CG ASP A 32 4.817 -9.674 10.290 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.112 -10.551 10.830 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.061 -9.752 10.203 1.00 0.00 O ATOM 0 H ASP A 32 2.125 -6.930 8.371 1.00 0.00 H new ATOM 0 HA ASP A 32 2.699 -9.789 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.732 -8.053 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.071 -7.677 10.475 1.00 0.00 H new ATOM 510 N LYS A 33 0.604 -9.354 10.217 1.00 0.00 N ATOM 511 CA LYS A 33 -0.442 -9.318 11.232 1.00 0.00 C ATOM 512 C LYS A 33 0.150 -9.481 12.628 1.00 0.00 C ATOM 513 O LYS A 33 -0.382 -8.950 13.603 1.00 0.00 O ATOM 514 CB LYS A 33 -1.472 -10.419 10.971 1.00 0.00 C ATOM 515 CG LYS A 33 -2.502 -10.051 9.916 1.00 0.00 C ATOM 516 CD LYS A 33 -3.496 -9.029 10.441 1.00 0.00 C ATOM 517 CE LYS A 33 -4.693 -9.702 11.096 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.471 -10.519 10.124 1.00 0.00 N ATOM 0 H LYS A 33 0.407 -9.973 9.431 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.935 -8.348 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.952 -11.325 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.986 -10.652 11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.997 -9.651 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.034 -10.947 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.003 -8.378 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.836 -8.396 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.350 -10.338 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.342 -8.943 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.458 -10.593 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.444 -10.065 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.056 -11.470 10.059 1.00 0.00 H new ATOM 532 N GLU A 34 1.252 -10.219 12.717 1.00 0.00 N ATOM 533 CA GLU A 34 1.915 -10.451 13.995 1.00 0.00 C ATOM 534 C GLU A 34 2.360 -9.133 14.624 1.00 0.00 C ATOM 535 O GLU A 34 2.204 -8.924 15.827 1.00 0.00 O ATOM 536 CB GLU A 34 3.122 -11.373 13.809 1.00 0.00 C ATOM 537 CG GLU A 34 2.752 -12.776 13.360 1.00 0.00 C ATOM 538 CD GLU A 34 3.761 -13.816 13.806 1.00 0.00 C ATOM 539 OE1 GLU A 34 4.815 -13.941 13.147 1.00 0.00 O ATOM 540 OE2 GLU A 34 3.497 -14.506 14.813 1.00 0.00 O ATOM 0 H GLU A 34 1.704 -10.666 11.920 1.00 0.00 H new ATOM 0 HA GLU A 34 1.201 -10.930 14.664 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.796 -10.932 13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.670 -11.434 14.749 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.770 -13.034 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.671 -12.796 12.273 1.00 0.00 H new ATOM 547 N SER A 35 2.914 -8.249 13.801 1.00 0.00 N ATOM 548 CA SER A 35 3.386 -6.953 14.276 1.00 0.00 C ATOM 549 C SER A 35 2.550 -5.821 13.686 1.00 0.00 C ATOM 550 O SER A 35 3.039 -4.707 13.496 1.00 0.00 O ATOM 551 CB SER A 35 4.859 -6.758 13.913 1.00 0.00 C ATOM 552 OG SER A 35 5.668 -7.758 14.508 1.00 0.00 O ATOM 0 H SER A 35 3.047 -8.406 12.802 1.00 0.00 H new ATOM 0 HA SER A 35 3.281 -6.931 15.361 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.977 -6.788 12.830 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.191 -5.774 14.243 1.00 0.00 H new ATOM 0 HG SER A 35 6.605 -7.612 14.259 1.00 0.00 H new ATOM 558 N LYS A 36 1.287 -6.115 13.398 1.00 0.00 N ATOM 559 CA LYS A 36 0.381 -5.123 12.831 1.00 0.00 C ATOM 560 C LYS A 36 1.090 -4.276 11.780 1.00 0.00 C ATOM 561 O LYS A 36 1.004 -3.048 11.798 1.00 0.00 O ATOM 562 CB LYS A 36 -0.179 -4.223 13.935 1.00 0.00 C ATOM 563 CG LYS A 36 -0.850 -4.987 15.062 1.00 0.00 C ATOM 564 CD LYS A 36 -1.001 -4.128 16.306 1.00 0.00 C ATOM 565 CE LYS A 36 -1.520 -4.939 17.484 1.00 0.00 C ATOM 566 NZ LYS A 36 -1.491 -4.157 18.751 1.00 0.00 N ATOM 0 H LYS A 36 0.867 -7.032 13.548 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.442 -5.652 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.631 -3.622 14.347 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.899 -3.531 13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.831 -5.331 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.264 -5.874 15.301 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.038 -3.686 16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.685 -3.305 16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.541 -5.263 17.280 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.917 -5.839 17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.852 -4.744 19.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.514 -3.869 18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.087 -3.311 18.650 1.00 0.00 H new ATOM 580 N ILE A 37 1.789 -4.940 10.865 1.00 0.00 N ATOM 581 CA ILE A 37 2.511 -4.247 9.805 1.00 0.00 C ATOM 582 C ILE A 37 1.698 -4.219 8.514 1.00 0.00 C ATOM 583 O ILE A 37 1.311 -5.263 7.989 1.00 0.00 O ATOM 584 CB ILE A 37 3.873 -4.909 9.526 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.731 -4.913 10.792 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.591 -4.187 8.395 1.00 0.00 C ATOM 587 CD1 ILE A 37 6.047 -5.641 10.628 1.00 0.00 C ATOM 0 H ILE A 37 1.871 -5.956 10.837 1.00 0.00 H new ATOM 0 HA ILE A 37 2.676 -3.226 10.150 1.00 0.00 H new ATOM 0 HB ILE A 37 3.703 -5.942 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.929 -3.883 11.090 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.167 -5.376 11.602 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.552 -4.666 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.983 -4.231 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.753 -3.146 8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.603 -5.604 11.565 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.857 -6.680 10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.631 -5.164 9.841 1.00 0.00 H new ATOM 599 N PHE A 38 1.444 -3.017 8.008 1.00 0.00 N ATOM 600 CA PHE A 38 0.678 -2.852 6.778 1.00 0.00 C ATOM 601 C PHE A 38 1.462 -2.035 5.755 1.00 0.00 C ATOM 602 O PHE A 38 2.370 -1.282 6.109 1.00 0.00 O ATOM 603 CB PHE A 38 -0.660 -2.172 7.073 1.00 0.00 C ATOM 604 CG PHE A 38 -0.521 -0.863 7.798 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.106 -0.829 9.119 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.804 0.332 7.157 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.022 0.373 9.789 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.677 1.538 7.821 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.263 1.558 9.139 1.00 0.00 C ATOM 0 H PHE A 38 1.757 -2.143 8.430 1.00 0.00 H new ATOM 0 HA PHE A 38 0.491 -3.841 6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.188 -2.004 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.277 -2.845 7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.120 -1.752 9.631 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.128 0.321 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.345 0.386 10.820 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.901 2.463 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.162 2.499 9.660 1.00 0.00 H new ATOM 619 N ARG A 39 1.105 -2.190 4.484 1.00 0.00 N ATOM 620 CA ARG A 39 1.775 -1.469 3.409 1.00 0.00 C ATOM 621 C ARG A 39 0.779 -1.047 2.333 1.00 0.00 C ATOM 622 O ARG A 39 0.049 -1.877 1.790 1.00 0.00 O ATOM 623 CB ARG A 39 2.872 -2.337 2.790 1.00 0.00 C ATOM 624 CG ARG A 39 3.549 -1.699 1.588 1.00 0.00 C ATOM 625 CD ARG A 39 4.255 -2.737 0.730 1.00 0.00 C ATOM 626 NE ARG A 39 5.346 -2.154 -0.048 1.00 0.00 N ATOM 627 CZ ARG A 39 6.014 -2.816 -0.986 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.706 -4.075 -1.261 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.994 -2.217 -1.651 1.00 0.00 N ATOM 0 H ARG A 39 0.356 -2.809 4.174 1.00 0.00 H new ATOM 0 HA ARG A 39 2.226 -0.572 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.625 -2.552 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.441 -3.292 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.807 -1.173 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.270 -0.955 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.648 -3.529 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.535 -3.200 0.055 1.00 0.00 H new ATOM 0 HE ARG A 39 5.609 -1.186 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.954 -4.539 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.221 -4.580 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.234 -1.248 -1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.507 -2.726 -2.371 1.00 0.00 H new ATOM 643 N ILE A 40 0.753 0.247 2.032 1.00 0.00 N ATOM 644 CA ILE A 40 -0.153 0.778 1.022 1.00 0.00 C ATOM 645 C ILE A 40 0.196 0.247 -0.364 1.00 0.00 C ATOM 646 O ILE A 40 1.057 0.795 -1.052 1.00 0.00 O ATOM 647 CB ILE A 40 -0.123 2.318 0.992 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.885 2.888 2.190 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.712 2.834 -0.312 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.831 4.398 2.277 1.00 0.00 C ATOM 0 H ILE A 40 1.349 0.947 2.474 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.156 0.447 1.293 1.00 0.00 H new ATOM 0 HB ILE A 40 0.914 2.648 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.927 2.572 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.475 2.464 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.684 3.924 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.130 2.451 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.745 2.497 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.392 4.732 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.206 4.720 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.268 4.830 1.377 1.00 0.00 H new ATOM 662 N VAL A 41 -0.480 -0.824 -0.769 1.00 0.00 N ATOM 663 CA VAL A 41 -0.243 -1.428 -2.075 1.00 0.00 C ATOM 664 C VAL A 41 -0.097 -0.363 -3.155 1.00 0.00 C ATOM 665 O VAL A 41 0.790 -0.444 -4.005 1.00 0.00 O ATOM 666 CB VAL A 41 -1.385 -2.386 -2.465 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.138 -2.977 -3.844 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.536 -3.485 -1.424 1.00 0.00 C ATOM 0 H VAL A 41 -1.196 -1.291 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 41 0.686 -1.993 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.316 -1.820 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.955 -3.651 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.083 -2.174 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.199 -3.530 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.347 -4.153 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.607 -4.051 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.762 -3.040 -0.455 1.00 0.00 H new ATOM 678 N ASP A 42 -0.973 0.635 -3.116 1.00 0.00 N ATOM 679 CA ASP A 42 -0.940 1.719 -4.092 1.00 0.00 C ATOM 680 C ASP A 42 -1.431 3.023 -3.471 1.00 0.00 C ATOM 681 O ASP A 42 -2.587 3.152 -3.069 1.00 0.00 O ATOM 682 CB ASP A 42 -1.797 1.365 -5.308 1.00 0.00 C ATOM 683 CG ASP A 42 -1.867 2.495 -6.316 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.798 3.000 -6.717 1.00 0.00 O ATOM 685 OD2 ASP A 42 -2.992 2.875 -6.703 1.00 0.00 O ATOM 0 H ASP A 42 -1.714 0.716 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 42 0.093 1.856 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.389 0.477 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.805 1.114 -4.978 1.00 0.00 H new ATOM 690 N PRO A 43 -0.532 4.015 -3.389 1.00 0.00 N ATOM 691 CA PRO A 43 -0.850 5.327 -2.818 1.00 0.00 C ATOM 692 C PRO A 43 -1.800 6.129 -3.701 1.00 0.00 C ATOM 693 O PRO A 43 -2.664 6.850 -3.205 1.00 0.00 O ATOM 694 CB PRO A 43 0.514 6.018 -2.734 1.00 0.00 C ATOM 695 CG PRO A 43 1.337 5.359 -3.786 1.00 0.00 C ATOM 696 CD PRO A 43 0.865 3.932 -3.849 1.00 0.00 C ATOM 0 HA PRO A 43 -1.359 5.241 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.427 7.090 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.960 5.895 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.210 5.855 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.398 5.409 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.932 3.531 -4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.461 3.283 -3.208 1.00 0.00 H new ATOM 704 N ASN A 44 -1.634 5.997 -5.013 1.00 0.00 N ATOM 705 CA ASN A 44 -2.477 6.710 -5.966 1.00 0.00 C ATOM 706 C ASN A 44 -3.937 6.291 -5.820 1.00 0.00 C ATOM 707 O ASN A 44 -4.845 7.109 -5.959 1.00 0.00 O ATOM 708 CB ASN A 44 -2.000 6.449 -7.396 1.00 0.00 C ATOM 709 CG ASN A 44 -2.566 7.449 -8.386 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.095 8.491 -7.999 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.456 7.136 -9.672 1.00 0.00 N ATOM 0 H ASN A 44 -0.924 5.403 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.400 7.776 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.911 6.489 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.290 5.442 -7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.818 7.770 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.010 6.261 -9.948 1.00 0.00 H new ATOM 718 N GLY A 45 -4.154 5.010 -5.537 1.00 0.00 N ATOM 719 CA GLY A 45 -5.505 4.505 -5.376 1.00 0.00 C ATOM 720 C GLY A 45 -6.041 4.719 -3.975 1.00 0.00 C ATOM 721 O GLY A 45 -7.228 4.993 -3.791 1.00 0.00 O ATOM 0 H GLY A 45 -3.419 4.313 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.162 4.999 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.522 3.440 -5.609 1.00 0.00 H new ATOM 725 N LEU A 46 -5.166 4.593 -2.983 1.00 0.00 N ATOM 726 CA LEU A 46 -5.559 4.774 -1.590 1.00 0.00 C ATOM 727 C LEU A 46 -5.940 6.225 -1.315 1.00 0.00 C ATOM 728 O LEU A 46 -7.051 6.511 -0.869 1.00 0.00 O ATOM 729 CB LEU A 46 -4.421 4.348 -0.660 1.00 0.00 C ATOM 730 CG LEU A 46 -4.816 4.029 0.782 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.112 5.308 1.550 1.00 0.00 C ATOM 732 CD2 LEU A 46 -6.019 3.098 0.812 1.00 0.00 C ATOM 0 H LEU A 46 -4.181 4.366 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.430 4.147 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.940 3.468 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.675 5.143 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.979 3.525 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.391 5.061 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.225 5.941 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.932 5.840 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.286 2.882 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.861 3.576 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.773 2.168 0.299 1.00 0.00 H new ATOM 744 N ALA A 47 -5.012 7.137 -1.586 1.00 0.00 N ATOM 745 CA ALA A 47 -5.252 8.558 -1.372 1.00 0.00 C ATOM 746 C ALA A 47 -6.605 8.977 -1.937 1.00 0.00 C ATOM 747 O ALA A 47 -7.398 9.627 -1.255 1.00 0.00 O ATOM 748 CB ALA A 47 -4.137 9.382 -1.999 1.00 0.00 C ATOM 0 H ALA A 47 -4.087 6.916 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.264 8.742 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.329 10.442 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.184 9.110 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.098 9.185 -3.070 1.00 0.00 H new ATOM 754 N ARG A 48 -6.861 8.603 -3.186 1.00 0.00 N ATOM 755 CA ARG A 48 -8.118 8.942 -3.843 1.00 0.00 C ATOM 756 C ARG A 48 -9.301 8.703 -2.909 1.00 0.00 C ATOM 757 O ARG A 48 -10.132 9.588 -2.704 1.00 0.00 O ATOM 758 CB ARG A 48 -8.288 8.118 -5.121 1.00 0.00 C ATOM 759 CG ARG A 48 -7.513 8.668 -6.307 1.00 0.00 C ATOM 760 CD ARG A 48 -7.817 7.892 -7.579 1.00 0.00 C ATOM 761 NE ARG A 48 -7.279 8.552 -8.765 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.140 7.951 -9.941 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.498 6.683 -10.088 1.00 0.00 N ATOM 764 NH2 ARG A 48 -6.642 8.619 -10.974 1.00 0.00 N ATOM 0 H ARG A 48 -6.215 8.065 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.090 10.000 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.965 7.095 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.346 8.075 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.764 9.719 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.444 8.622 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.397 6.889 -7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.896 7.779 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.994 9.528 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.881 6.166 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.390 6.224 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.366 9.595 -10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.536 8.157 -11.877 1.00 0.00 H new ATOM 778 N LEU A 49 -9.371 7.501 -2.347 1.00 0.00 N ATOM 779 CA LEU A 49 -10.453 7.145 -1.436 1.00 0.00 C ATOM 780 C LEU A 49 -10.482 8.082 -0.232 1.00 0.00 C ATOM 781 O LEU A 49 -11.550 8.425 0.273 1.00 0.00 O ATOM 782 CB LEU A 49 -10.294 5.698 -0.966 1.00 0.00 C ATOM 783 CG LEU A 49 -10.418 4.624 -2.047 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.598 3.397 -1.678 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.876 4.247 -2.261 1.00 0.00 C ATOM 0 H LEU A 49 -8.692 6.757 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.396 7.245 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.318 5.596 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.043 5.502 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.028 5.030 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.699 2.644 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.549 3.677 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.957 2.990 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.944 3.481 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.292 3.861 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.438 5.128 -2.572 1.00 0.00 H new ATOM 797 N TRP A 50 -9.303 8.493 0.219 1.00 0.00 N ATOM 798 CA TRP A 50 -9.193 9.392 1.362 1.00 0.00 C ATOM 799 C TRP A 50 -9.716 10.782 1.013 1.00 0.00 C ATOM 800 O TRP A 50 -10.542 11.343 1.732 1.00 0.00 O ATOM 801 CB TRP A 50 -7.739 9.483 1.829 1.00 0.00 C ATOM 802 CG TRP A 50 -7.467 10.673 2.698 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.870 11.843 2.323 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.782 10.809 4.088 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.794 12.697 3.396 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.347 12.087 4.491 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.390 9.976 5.031 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.501 12.548 5.795 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.541 10.436 6.326 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.099 11.712 6.698 1.00 0.00 C ATOM 0 H TRP A 50 -8.409 8.218 -0.189 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.801 8.987 2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.484 8.576 2.377 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.087 9.523 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.511 12.064 1.329 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.391 13.634 3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.736 8.991 4.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.160 13.531 6.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.008 9.800 7.064 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.233 12.042 7.717 1.00 0.00 H new ATOM 821 N GLY A 51 -9.229 11.332 -0.095 1.00 0.00 N ATOM 822 CA GLY A 51 -9.659 12.651 -0.519 1.00 0.00 C ATOM 823 C GLY A 51 -11.068 12.650 -1.077 1.00 0.00 C ATOM 824 O GLY A 51 -11.674 13.706 -1.253 1.00 0.00 O ATOM 0 H GLY A 51 -8.544 10.887 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.607 13.336 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.972 13.028 -1.277 1.00 0.00 H new ATOM 828 N ASN A 52 -11.590 11.461 -1.359 1.00 0.00 N ATOM 829 CA ASN A 52 -12.937 11.327 -1.903 1.00 0.00 C ATOM 830 C ASN A 52 -13.983 11.755 -0.878 1.00 0.00 C ATOM 831 O ASN A 52 -14.725 12.713 -1.096 1.00 0.00 O ATOM 832 CB ASN A 52 -13.193 9.882 -2.336 1.00 0.00 C ATOM 833 CG ASN A 52 -14.622 9.660 -2.794 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.285 10.585 -3.264 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.102 8.430 -2.658 1.00 0.00 N ATOM 0 H ASN A 52 -11.101 10.577 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.017 11.980 -2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.510 9.622 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.972 9.212 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.057 8.220 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.516 7.695 -2.263 1.00 0.00 H new ATOM 842 N HIS A 53 -14.035 11.039 0.241 1.00 0.00 N ATOM 843 CA HIS A 53 -14.989 11.346 1.301 1.00 0.00 C ATOM 844 C HIS A 53 -14.643 12.668 1.978 1.00 0.00 C ATOM 845 O HIS A 53 -15.526 13.465 2.297 1.00 0.00 O ATOM 846 CB HIS A 53 -15.012 10.220 2.336 1.00 0.00 C ATOM 847 CG HIS A 53 -13.967 10.363 3.399 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.906 9.493 3.532 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.824 11.282 4.382 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.156 9.870 4.552 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.691 10.954 5.084 1.00 0.00 N ATOM 0 H HIS A 53 -13.428 10.243 0.437 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.978 11.437 0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.995 10.190 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.873 9.266 1.827 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.728 8.685 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.479 12.118 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.258 9.376 4.893 1.00 0.00 H new ATOM 860 N LYS A 54 -13.352 12.896 2.195 1.00 0.00 N ATOM 861 CA LYS A 54 -12.887 14.122 2.833 1.00 0.00 C ATOM 862 C LYS A 54 -13.341 15.349 2.049 1.00 0.00 C ATOM 863 O LYS A 54 -13.279 16.473 2.547 1.00 0.00 O ATOM 864 CB LYS A 54 -11.362 14.114 2.951 1.00 0.00 C ATOM 865 CG LYS A 54 -10.843 14.821 4.191 1.00 0.00 C ATOM 866 CD LYS A 54 -11.404 14.203 5.461 1.00 0.00 C ATOM 867 CE LYS A 54 -10.424 14.319 6.617 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.837 13.485 7.780 1.00 0.00 N ATOM 0 H LYS A 54 -12.608 12.247 1.938 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.321 14.169 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.012 13.082 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.935 14.589 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.754 14.771 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.113 15.876 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.339 14.697 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.637 13.153 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.432 14.013 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.349 15.362 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.818 14.062 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.800 13.125 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.181 12.685 7.884 1.00 0.00 H new ATOM 882 N ASN A 55 -13.798 15.126 0.821 1.00 0.00 N ATOM 883 CA ASN A 55 -14.264 16.214 -0.031 1.00 0.00 C ATOM 884 C ASN A 55 -13.091 17.049 -0.536 1.00 0.00 C ATOM 885 O ASN A 55 -13.185 18.272 -0.639 1.00 0.00 O ATOM 886 CB ASN A 55 -15.246 17.104 0.734 1.00 0.00 C ATOM 887 CG ASN A 55 -16.101 17.949 -0.191 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.360 17.569 -1.333 1.00 0.00 O ATOM 889 ND2 ASN A 55 -16.544 19.100 0.300 1.00 0.00 N ATOM 0 H ASN A 55 -13.856 14.202 0.394 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.773 15.777 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.892 16.480 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -14.691 17.756 1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.125 19.710 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.304 19.374 1.253 1.00 0.00 H new ATOM 896 N ARG A 56 -11.986 16.379 -0.850 1.00 0.00 N ATOM 897 CA ARG A 56 -10.795 17.058 -1.343 1.00 0.00 C ATOM 898 C ARG A 56 -10.517 16.682 -2.796 1.00 0.00 C ATOM 899 O ARG A 56 -10.171 15.540 -3.098 1.00 0.00 O ATOM 900 CB ARG A 56 -9.585 16.709 -0.475 1.00 0.00 C ATOM 901 CG ARG A 56 -8.570 17.834 -0.362 1.00 0.00 C ATOM 902 CD ARG A 56 -8.086 18.286 -1.731 1.00 0.00 C ATOM 903 NE ARG A 56 -8.902 19.370 -2.270 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.474 20.225 -3.192 1.00 0.00 C ATOM 905 NH1 ARG A 56 -7.243 20.122 -3.675 1.00 0.00 N ATOM 906 NH2 ARG A 56 -9.276 21.185 -3.633 1.00 0.00 N ATOM 0 H ARG A 56 -11.892 15.366 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.973 18.132 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.930 16.441 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.094 15.828 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.017 18.678 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.720 17.501 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.049 18.614 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.105 17.441 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.854 19.477 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.623 19.385 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.916 20.780 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.223 21.268 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.945 21.841 -4.341 1.00 0.00 H new ATOM 920 N THR A 57 -10.672 17.651 -3.693 1.00 0.00 N ATOM 921 CA THR A 57 -10.441 17.422 -5.113 1.00 0.00 C ATOM 922 C THR A 57 -8.951 17.315 -5.417 1.00 0.00 C ATOM 923 O THR A 57 -8.157 18.146 -4.977 1.00 0.00 O ATOM 924 CB THR A 57 -11.048 18.549 -5.971 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.456 18.644 -5.729 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.798 18.298 -7.450 1.00 0.00 C ATOM 0 H THR A 57 -10.957 18.602 -3.460 1.00 0.00 H new ATOM 0 HA THR A 57 -10.930 16.481 -5.364 1.00 0.00 H new ATOM 0 HB THR A 57 -10.568 19.487 -5.692 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.834 19.363 -6.276 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.236 19.107 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.725 18.255 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.254 17.352 -7.741 1.00 0.00 H new ATOM 934 N ASN A 58 -8.578 16.287 -6.172 1.00 0.00 N ATOM 935 CA ASN A 58 -7.181 16.072 -6.535 1.00 0.00 C ATOM 936 C ASN A 58 -6.329 15.827 -5.294 1.00 0.00 C ATOM 937 O ASN A 58 -5.302 16.475 -5.096 1.00 0.00 O ATOM 938 CB ASN A 58 -6.642 17.277 -7.308 1.00 0.00 C ATOM 939 CG ASN A 58 -7.037 17.249 -8.772 1.00 0.00 C ATOM 940 OD1 ASN A 58 -8.029 16.624 -9.147 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.259 17.927 -9.607 1.00 0.00 N ATOM 0 H ASN A 58 -9.223 15.590 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.128 15.188 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.014 18.194 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.555 17.300 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.474 17.944 -10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.446 18.431 -9.252 1.00 0.00 H new ATOM 948 N MET A 59 -6.762 14.886 -4.461 1.00 0.00 N ATOM 949 CA MET A 59 -6.037 14.553 -3.240 1.00 0.00 C ATOM 950 C MET A 59 -4.795 13.726 -3.554 1.00 0.00 C ATOM 951 O MET A 59 -4.883 12.662 -4.168 1.00 0.00 O ATOM 952 CB MET A 59 -6.944 13.787 -2.276 1.00 0.00 C ATOM 953 CG MET A 59 -6.192 13.108 -1.143 1.00 0.00 C ATOM 954 SD MET A 59 -5.534 14.284 0.056 1.00 0.00 S ATOM 955 CE MET A 59 -7.024 14.728 0.947 1.00 0.00 C ATOM 0 H MET A 59 -7.611 14.341 -4.609 1.00 0.00 H new ATOM 0 HA MET A 59 -5.722 15.484 -2.769 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.676 14.476 -1.854 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.500 13.034 -2.834 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.859 12.412 -0.635 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.373 12.520 -1.557 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.773 14.965 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.484 15.597 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.723 13.892 0.926 1.00 0.00 H new ATOM 965 N THR A 60 -3.636 14.221 -3.129 1.00 0.00 N ATOM 966 CA THR A 60 -2.376 13.528 -3.365 1.00 0.00 C ATOM 967 C THR A 60 -1.952 12.725 -2.141 1.00 0.00 C ATOM 968 O THR A 60 -2.328 13.048 -1.014 1.00 0.00 O ATOM 969 CB THR A 60 -1.252 14.516 -3.732 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.605 14.984 -2.544 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.805 15.698 -4.514 1.00 0.00 C ATOM 0 H THR A 60 -3.545 15.100 -2.619 1.00 0.00 H new ATOM 0 HA THR A 60 -2.541 12.849 -4.202 1.00 0.00 H new ATOM 0 HB THR A 60 -0.528 13.994 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.109 15.610 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.993 16.382 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.272 15.341 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.547 16.219 -3.909 1.00 0.00 H new ATOM 979 N TYR A 61 -1.166 11.679 -2.369 1.00 0.00 N ATOM 980 CA TYR A 61 -0.692 10.828 -1.284 1.00 0.00 C ATOM 981 C TYR A 61 0.393 11.532 -0.475 1.00 0.00 C ATOM 982 O TYR A 61 0.500 11.342 0.736 1.00 0.00 O ATOM 983 CB TYR A 61 -0.154 9.509 -1.840 1.00 0.00 C ATOM 984 CG TYR A 61 0.810 8.808 -0.910 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.361 8.190 0.251 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.170 8.764 -1.190 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.238 7.548 1.104 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.054 8.124 -0.343 1.00 0.00 C ATOM 989 CZ TYR A 61 2.583 7.518 0.803 1.00 0.00 C ATOM 990 OH TYR A 61 3.461 6.881 1.650 1.00 0.00 O ATOM 0 H TYR A 61 -0.843 11.400 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.535 10.620 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.992 8.844 -2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.345 9.701 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.692 8.212 0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.543 9.239 -2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.872 7.072 2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.108 8.098 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 61 3.002 6.144 2.103 1.00 0.00 H new ATOM 1000 N GLU A 62 1.195 12.346 -1.154 1.00 0.00 N ATOM 1001 CA GLU A 62 2.272 13.078 -0.499 1.00 0.00 C ATOM 1002 C GLU A 62 1.720 14.022 0.565 1.00 0.00 C ATOM 1003 O GLU A 62 2.288 14.157 1.649 1.00 0.00 O ATOM 1004 CB GLU A 62 3.081 13.870 -1.528 1.00 0.00 C ATOM 1005 CG GLU A 62 4.428 14.344 -1.010 1.00 0.00 C ATOM 1006 CD GLU A 62 5.293 13.205 -0.505 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.556 12.268 -1.288 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.705 13.250 0.673 1.00 0.00 O ATOM 0 H GLU A 62 1.119 12.515 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 62 2.926 12.353 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.239 13.249 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.499 14.735 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.955 14.870 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.271 15.061 -0.204 1.00 0.00 H new ATOM 1015 N LYS A 63 0.607 14.675 0.247 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.025 15.607 1.174 1.00 0.00 C ATOM 1017 C LYS A 63 -0.799 14.859 2.254 1.00 0.00 C ATOM 1018 O LYS A 63 -1.210 15.446 3.255 1.00 0.00 O ATOM 1019 CB LYS A 63 -0.965 16.550 0.419 1.00 0.00 C ATOM 1020 CG LYS A 63 -2.381 16.018 0.284 1.00 0.00 C ATOM 1021 CD LYS A 63 -3.062 16.554 -0.964 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.265 18.059 -0.886 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.439 18.503 -1.688 1.00 0.00 N ATOM 0 H LYS A 63 0.124 14.576 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 63 0.760 16.192 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.994 17.510 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.559 16.735 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.359 14.929 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.961 16.297 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.461 16.312 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.026 16.062 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.404 18.353 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.368 18.565 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.926 19.276 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.117 18.837 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.095 17.706 -1.814 1.00 0.00 H new ATOM 1037 N MET A 64 -0.993 13.561 2.046 1.00 0.00 N ATOM 1038 CA MET A 64 -1.715 12.733 3.004 1.00 0.00 C ATOM 1039 C MET A 64 -0.771 12.183 4.069 1.00 0.00 C ATOM 1040 O MET A 64 -0.962 12.416 5.262 1.00 0.00 O ATOM 1041 CB MET A 64 -2.419 11.579 2.286 1.00 0.00 C ATOM 1042 CG MET A 64 -3.695 11.122 2.975 1.00 0.00 C ATOM 1043 SD MET A 64 -4.485 9.741 2.128 1.00 0.00 S ATOM 1044 CE MET A 64 -3.421 8.387 2.623 1.00 0.00 C ATOM 0 H MET A 64 -0.660 13.060 1.222 1.00 0.00 H new ATOM 0 HA MET A 64 -2.462 13.357 3.493 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.656 11.886 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.733 10.735 2.213 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.466 10.831 4.000 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.393 11.957 3.029 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.965 7.940 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.639 8.761 3.284 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.010 7.634 3.147 1.00 0.00 H new ATOM 1054 N SER A 65 0.249 11.453 3.629 1.00 0.00 N ATOM 1055 CA SER A 65 1.221 10.867 4.545 1.00 0.00 C ATOM 1056 C SER A 65 1.563 11.840 5.669 1.00 0.00 C ATOM 1057 O SER A 65 1.926 11.429 6.771 1.00 0.00 O ATOM 1058 CB SER A 65 2.493 10.475 3.790 1.00 0.00 C ATOM 1059 OG SER A 65 3.082 11.601 3.163 1.00 0.00 O ATOM 0 H SER A 65 0.424 11.253 2.644 1.00 0.00 H new ATOM 0 HA SER A 65 0.777 9.973 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.206 10.026 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.256 9.720 3.040 1.00 0.00 H new ATOM 0 HG SER A 65 3.894 11.324 2.689 1.00 0.00 H new ATOM 1065 N ARG A 66 1.444 13.132 5.381 1.00 0.00 N ATOM 1066 CA ARG A 66 1.742 14.165 6.366 1.00 0.00 C ATOM 1067 C ARG A 66 1.249 13.754 7.751 1.00 0.00 C ATOM 1068 O ARG A 66 2.013 13.745 8.715 1.00 0.00 O ATOM 1069 CB ARG A 66 1.099 15.491 5.957 1.00 0.00 C ATOM 1070 CG ARG A 66 1.982 16.347 5.064 1.00 0.00 C ATOM 1071 CD ARG A 66 2.853 17.289 5.880 1.00 0.00 C ATOM 1072 NE ARG A 66 3.301 18.437 5.096 1.00 0.00 N ATOM 1073 CZ ARG A 66 3.874 19.511 5.627 1.00 0.00 C ATOM 1074 NH1 ARG A 66 4.068 19.583 6.937 1.00 0.00 N ATOM 1075 NH2 ARG A 66 4.255 20.515 4.848 1.00 0.00 N ATOM 0 H ARG A 66 1.143 13.488 4.474 1.00 0.00 H new ATOM 0 HA ARG A 66 2.824 14.291 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.163 15.286 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.849 16.056 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.614 15.704 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.359 16.925 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.294 17.639 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.720 16.746 6.256 1.00 0.00 H new ATOM 0 HE ARG A 66 3.166 18.413 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.777 18.813 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.508 20.409 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.108 20.463 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.695 21.339 5.257 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.033 13.415 7.840 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.628 13.002 9.105 1.00 0.00 C ATOM 1091 C ALA A 67 0.200 11.907 9.769 1.00 0.00 C ATOM 1092 O ALA A 67 0.815 12.127 10.814 1.00 0.00 O ATOM 1093 CB ALA A 67 -2.057 12.526 8.886 1.00 0.00 C ATOM 0 H ALA A 67 -0.679 13.418 7.051 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.642 13.865 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.489 12.221 9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.650 13.337 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.057 11.679 8.200 1.00 0.00 H new ATOM 1099 N LEU A 68 0.212 10.727 9.158 1.00 0.00 N ATOM 1100 CA LEU A 68 0.965 9.597 9.691 1.00 0.00 C ATOM 1101 C LEU A 68 2.249 10.068 10.365 1.00 0.00 C ATOM 1102 O LEU A 68 2.654 9.530 11.396 1.00 0.00 O ATOM 1103 CB LEU A 68 1.295 8.606 8.573 1.00 0.00 C ATOM 1104 CG LEU A 68 0.134 7.743 8.077 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.771 7.350 9.233 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.657 8.479 7.005 1.00 0.00 C ATOM 0 H LEU A 68 -0.291 10.528 8.293 1.00 0.00 H new ATOM 0 HA LEU A 68 0.346 9.099 10.438 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.694 9.164 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.089 7.946 8.922 1.00 0.00 H new ATOM 0 HG LEU A 68 0.544 6.833 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.591 6.736 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.198 6.783 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.174 8.248 9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.479 7.850 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.056 9.405 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.003 8.709 6.164 1.00 0.00 H new ATOM 1118 N ARG A 69 2.886 11.075 9.776 1.00 0.00 N ATOM 1119 CA ARG A 69 4.124 11.619 10.320 1.00 0.00 C ATOM 1120 C ARG A 69 3.898 12.198 11.713 1.00 0.00 C ATOM 1121 O ARG A 69 4.546 11.793 12.679 1.00 0.00 O ATOM 1122 CB ARG A 69 4.683 12.699 9.392 1.00 0.00 C ATOM 1123 CG ARG A 69 6.199 12.809 9.429 1.00 0.00 C ATOM 1124 CD ARG A 69 6.680 13.424 10.734 1.00 0.00 C ATOM 1125 NE ARG A 69 8.130 13.327 10.883 1.00 0.00 N ATOM 1126 CZ ARG A 69 8.992 14.040 10.166 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.552 14.898 9.256 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.296 13.895 10.360 1.00 0.00 N ATOM 0 H ARG A 69 2.565 11.531 8.922 1.00 0.00 H new ATOM 0 HA ARG A 69 4.846 10.806 10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.367 12.487 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.251 13.661 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.640 11.820 9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.542 13.416 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.381 14.471 10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.195 12.922 11.572 1.00 0.00 H new ATOM 0 HE ARG A 69 8.501 12.676 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.550 15.012 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.216 15.444 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.637 13.236 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.957 14.442 9.809 1.00 0.00 H new ATOM 1142 N HIS A 70 2.974 13.150 11.810 1.00 0.00 N ATOM 1143 CA HIS A 70 2.662 13.785 13.085 1.00 0.00 C ATOM 1144 C HIS A 70 2.514 12.743 14.190 1.00 0.00 C ATOM 1145 O HIS A 70 2.941 12.961 15.324 1.00 0.00 O ATOM 1146 CB HIS A 70 1.378 14.607 12.969 1.00 0.00 C ATOM 1147 CG HIS A 70 1.599 15.992 12.443 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.851 17.076 13.257 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.608 16.466 11.175 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.002 18.157 12.514 1.00 0.00 C ATOM 1151 NE2 HIS A 70 1.860 17.814 11.246 1.00 0.00 N ATOM 0 H HIS A 70 2.429 13.498 11.021 1.00 0.00 H new ATOM 0 HA HIS A 70 3.488 14.448 13.343 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.680 14.085 12.314 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.907 14.671 13.950 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.447 15.891 10.275 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.207 19.152 12.880 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.927 18.447 10.449 1.00 0.00 H new ATOM 1160 N TYR A 71 1.907 11.611 13.851 1.00 0.00 N ATOM 1161 CA TYR A 71 1.700 10.537 14.815 1.00 0.00 C ATOM 1162 C TYR A 71 3.023 9.873 15.183 1.00 0.00 C ATOM 1163 O TYR A 71 3.252 9.518 16.340 1.00 0.00 O ATOM 1164 CB TYR A 71 0.734 9.495 14.249 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.622 10.059 13.889 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.631 10.155 14.840 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.895 10.495 12.599 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.872 10.669 14.516 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.132 11.011 12.266 1.00 0.00 C ATOM 1170 CZ TYR A 71 -3.117 11.096 13.228 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.352 11.608 12.900 1.00 0.00 O ATOM 0 H TYR A 71 1.550 11.414 12.916 1.00 0.00 H new ATOM 0 HA TYR A 71 1.269 10.971 15.717 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.178 9.044 13.361 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.604 8.697 14.980 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.442 9.822 15.850 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.127 10.429 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.645 10.736 15.267 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.327 11.346 11.258 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.053 11.045 13.289 1.00 0.00 H new ATOM 1181 N TYR A 72 3.891 9.709 14.191 1.00 0.00 N ATOM 1182 CA TYR A 72 5.192 9.086 14.408 1.00 0.00 C ATOM 1183 C TYR A 72 5.866 9.653 15.654 1.00 0.00 C ATOM 1184 O TYR A 72 6.384 8.910 16.488 1.00 0.00 O ATOM 1185 CB TYR A 72 6.091 9.295 13.188 1.00 0.00 C ATOM 1186 CG TYR A 72 5.574 8.627 11.934 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.452 7.807 11.972 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.207 8.814 10.712 1.00 0.00 C ATOM 1189 CE1 TYR A 72 3.977 7.194 10.829 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.738 8.207 9.564 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.622 7.397 9.627 1.00 0.00 C ATOM 1192 OH TYR A 72 4.153 6.789 8.486 1.00 0.00 O ATOM 0 H TYR A 72 3.718 9.999 13.229 1.00 0.00 H new ATOM 0 HA TYR A 72 5.035 8.018 14.556 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.196 10.364 13.003 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.086 8.911 13.410 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.943 7.647 12.911 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.082 9.445 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.105 6.559 10.876 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.242 8.365 8.622 1.00 0.00 H new ATOM 0 HH TYR A 72 3.983 5.841 8.667 1.00 0.00 H new ATOM 1202 N LYS A 73 5.855 10.977 15.774 1.00 0.00 N ATOM 1203 CA LYS A 73 6.463 11.647 16.917 1.00 0.00 C ATOM 1204 C LYS A 73 5.741 11.280 18.210 1.00 0.00 C ATOM 1205 O LYS A 73 6.330 11.307 19.291 1.00 0.00 O ATOM 1206 CB LYS A 73 6.436 13.164 16.719 1.00 0.00 C ATOM 1207 CG LYS A 73 7.640 13.700 15.962 1.00 0.00 C ATOM 1208 CD LYS A 73 7.436 13.616 14.459 1.00 0.00 C ATOM 1209 CE LYS A 73 8.409 14.517 13.713 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.765 13.909 13.617 1.00 0.00 N ATOM 0 H LYS A 73 5.431 11.607 15.093 1.00 0.00 H new ATOM 0 HA LYS A 73 7.498 11.315 16.992 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.528 13.436 16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.385 13.649 17.694 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.819 14.736 16.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.528 13.134 16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.568 12.585 14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.413 13.901 14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.027 14.713 12.711 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.477 15.478 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.394 14.546 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.147 13.761 14.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.702 12.996 13.124 1.00 0.00 H new ATOM 1224 N LEU A 74 4.464 10.935 18.091 1.00 0.00 N ATOM 1225 CA LEU A 74 3.661 10.561 19.251 1.00 0.00 C ATOM 1226 C LEU A 74 3.941 9.119 19.663 1.00 0.00 C ATOM 1227 O LEU A 74 3.249 8.562 20.514 1.00 0.00 O ATOM 1228 CB LEU A 74 2.173 10.737 18.944 1.00 0.00 C ATOM 1229 CG LEU A 74 1.637 12.167 19.016 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.479 12.352 18.049 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.208 12.505 20.436 1.00 0.00 C ATOM 0 H LEU A 74 3.962 10.906 17.204 1.00 0.00 H new ATOM 0 HA LEU A 74 3.934 11.216 20.079 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.980 10.348 17.944 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.604 10.121 19.640 1.00 0.00 H new ATOM 0 HG LEU A 74 2.437 12.849 18.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.111 13.376 18.114 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.818 12.153 17.033 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.323 11.661 18.306 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.829 13.527 20.468 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.424 11.817 20.753 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.063 12.414 21.106 1.00 0.00 H new ATOM 1243 N ASN A 75 4.960 8.522 19.055 1.00 0.00 N ATOM 1244 CA ASN A 75 5.332 7.145 19.360 1.00 0.00 C ATOM 1245 C ASN A 75 4.146 6.206 19.168 1.00 0.00 C ATOM 1246 O ASN A 75 3.949 5.271 19.945 1.00 0.00 O ATOM 1247 CB ASN A 75 5.852 7.042 20.796 1.00 0.00 C ATOM 1248 CG ASN A 75 7.304 7.460 20.917 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.613 8.517 21.467 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.204 6.630 20.402 1.00 0.00 N ATOM 0 H ASN A 75 5.543 8.970 18.348 1.00 0.00 H new ATOM 0 HA ASN A 75 6.123 6.847 18.672 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.241 7.668 21.446 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.742 6.016 21.147 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.197 6.858 20.454 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.902 5.764 19.955 1.00 0.00 H new ATOM 1257 N ILE A 76 3.359 6.460 18.128 1.00 0.00 N ATOM 1258 CA ILE A 76 2.193 5.637 17.833 1.00 0.00 C ATOM 1259 C ILE A 76 2.439 4.753 16.614 1.00 0.00 C ATOM 1260 O ILE A 76 2.161 3.554 16.638 1.00 0.00 O ATOM 1261 CB ILE A 76 0.943 6.500 17.583 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.740 7.488 18.734 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.285 5.617 17.414 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.628 8.134 18.742 1.00 0.00 C ATOM 0 H ILE A 76 3.508 7.230 17.475 1.00 0.00 H new ATOM 0 HA ILE A 76 2.021 5.008 18.707 1.00 0.00 H new ATOM 0 HB ILE A 76 1.089 7.067 16.663 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.893 6.968 19.680 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.500 8.267 18.672 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.161 6.242 17.238 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.139 4.949 16.565 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.436 5.027 18.318 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.701 8.822 19.585 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.777 8.683 17.812 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.394 7.364 18.835 1.00 0.00 H new ATOM 1276 N ILE A 77 2.962 5.354 15.551 1.00 0.00 N ATOM 1277 CA ILE A 77 3.248 4.621 14.324 1.00 0.00 C ATOM 1278 C ILE A 77 4.690 4.839 13.876 1.00 0.00 C ATOM 1279 O ILE A 77 5.297 5.866 14.182 1.00 0.00 O ATOM 1280 CB ILE A 77 2.300 5.039 13.184 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.850 5.041 13.673 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.462 4.108 11.992 1.00 0.00 C ATOM 1283 CD1 ILE A 77 -0.085 5.832 12.785 1.00 0.00 C ATOM 0 H ILE A 77 3.196 6.346 15.514 1.00 0.00 H new ATOM 0 HA ILE A 77 3.094 3.565 14.545 1.00 0.00 H new ATOM 0 HB ILE A 77 2.559 6.050 12.868 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.495 4.012 13.736 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.816 5.453 14.682 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.786 4.416 11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.490 4.152 11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.227 3.087 12.293 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.095 5.790 13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.246 6.870 12.741 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.080 5.407 11.781 1.00 0.00 H new ATOM 1295 N ARG A 78 5.232 3.867 13.150 1.00 0.00 N ATOM 1296 CA ARG A 78 6.602 3.953 12.659 1.00 0.00 C ATOM 1297 C ARG A 78 6.662 3.670 11.161 1.00 0.00 C ATOM 1298 O ARG A 78 5.907 2.847 10.643 1.00 0.00 O ATOM 1299 CB ARG A 78 7.498 2.967 13.411 1.00 0.00 C ATOM 1300 CG ARG A 78 8.237 3.589 14.585 1.00 0.00 C ATOM 1301 CD ARG A 78 9.618 4.077 14.177 1.00 0.00 C ATOM 1302 NE ARG A 78 9.575 5.416 13.594 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.625 6.008 13.037 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.794 5.384 12.987 1.00 0.00 N ATOM 1305 NH2 ARG A 78 10.508 7.228 12.527 1.00 0.00 N ATOM 0 H ARG A 78 4.743 3.011 12.889 1.00 0.00 H new ATOM 0 HA ARG A 78 6.961 4.967 12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.889 2.139 13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.225 2.547 12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.657 4.423 14.981 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.331 2.857 15.387 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.273 4.082 15.048 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.050 3.382 13.457 1.00 0.00 H new ATOM 0 HE ARG A 78 8.691 5.924 13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.889 4.446 13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.598 5.842 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.611 7.712 12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.315 7.682 12.099 1.00 0.00 H new ATOM 1319 N LYS A 79 7.564 4.358 10.470 1.00 0.00 N ATOM 1320 CA LYS A 79 7.724 4.182 9.031 1.00 0.00 C ATOM 1321 C LYS A 79 9.097 3.604 8.704 1.00 0.00 C ATOM 1322 O LYS A 79 10.093 4.325 8.676 1.00 0.00 O ATOM 1323 CB LYS A 79 7.536 5.518 8.309 1.00 0.00 C ATOM 1324 CG LYS A 79 7.894 5.468 6.834 1.00 0.00 C ATOM 1325 CD LYS A 79 7.868 6.851 6.206 1.00 0.00 C ATOM 1326 CE LYS A 79 7.957 6.776 4.689 1.00 0.00 C ATOM 1327 NZ LYS A 79 6.615 6.618 4.062 1.00 0.00 N ATOM 0 H LYS A 79 8.196 5.043 10.883 1.00 0.00 H new ATOM 0 HA LYS A 79 6.963 3.481 8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.498 5.834 8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.149 6.275 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.886 5.032 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.194 4.817 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.950 7.365 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.698 7.443 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.432 7.680 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.592 5.938 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.728 6.335 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.078 5.887 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.101 7.521 4.109 1.00 0.00 H new ATOM 1341 N GLU A 80 9.140 2.298 8.455 1.00 0.00 N ATOM 1342 CA GLU A 80 10.391 1.624 8.129 1.00 0.00 C ATOM 1343 C GLU A 80 11.183 2.419 7.095 1.00 0.00 C ATOM 1344 O GLU A 80 10.631 2.974 6.144 1.00 0.00 O ATOM 1345 CB GLU A 80 10.115 0.215 7.602 1.00 0.00 C ATOM 1346 CG GLU A 80 9.780 -0.788 8.694 1.00 0.00 C ATOM 1347 CD GLU A 80 10.998 -1.206 9.494 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.969 -1.699 8.883 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.980 -1.042 10.732 1.00 0.00 O ATOM 0 H GLU A 80 8.324 1.687 8.473 1.00 0.00 H new ATOM 0 HA GLU A 80 10.984 1.553 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.288 0.257 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.989 -0.136 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.040 -0.354 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.324 -1.670 8.245 1.00 0.00 H new ATOM 1356 N PRO A 81 12.510 2.477 7.283 1.00 0.00 N ATOM 1357 CA PRO A 81 13.407 3.201 6.378 1.00 0.00 C ATOM 1358 C PRO A 81 13.531 2.521 5.019 1.00 0.00 C ATOM 1359 O PRO A 81 13.361 3.156 3.978 1.00 0.00 O ATOM 1360 CB PRO A 81 14.749 3.176 7.113 1.00 0.00 C ATOM 1361 CG PRO A 81 14.678 1.973 7.989 1.00 0.00 C ATOM 1362 CD PRO A 81 13.236 1.840 8.394 1.00 0.00 C ATOM 0 HA PRO A 81 13.043 4.205 6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.582 3.108 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.897 4.084 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.018 1.083 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.320 2.088 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.948 0.796 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.037 2.339 9.343 1.00 0.00 H new ATOM 1370 N GLY A 82 13.829 1.226 5.035 1.00 0.00 N ATOM 1371 CA GLY A 82 13.971 0.481 3.797 1.00 0.00 C ATOM 1372 C GLY A 82 12.653 0.314 3.067 1.00 0.00 C ATOM 1373 O GLY A 82 12.431 0.930 2.026 1.00 0.00 O ATOM 0 H GLY A 82 13.975 0.679 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.680 0.994 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.390 -0.502 4.014 1.00 0.00 H new ATOM 1377 N GLN A 83 11.778 -0.523 3.615 1.00 0.00 N ATOM 1378 CA GLN A 83 10.476 -0.772 3.006 1.00 0.00 C ATOM 1379 C GLN A 83 9.725 0.536 2.776 1.00 0.00 C ATOM 1380 O GLN A 83 9.413 1.259 3.722 1.00 0.00 O ATOM 1381 CB GLN A 83 9.645 -1.702 3.892 1.00 0.00 C ATOM 1382 CG GLN A 83 9.965 -3.175 3.696 1.00 0.00 C ATOM 1383 CD GLN A 83 11.446 -3.473 3.826 1.00 0.00 C ATOM 1384 OE1 GLN A 83 12.173 -2.770 4.529 1.00 0.00 O ATOM 1385 NE2 GLN A 83 11.901 -4.519 3.147 1.00 0.00 N ATOM 0 H GLN A 83 11.946 -1.040 4.478 1.00 0.00 H new ATOM 0 HA GLN A 83 10.639 -1.251 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.810 -1.439 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.587 -1.538 3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.414 -3.763 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.620 -3.490 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.263 -5.074 2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 83 12.889 -4.768 3.196 1.00 0.00 H new ATOM 1394 N ARG A 84 9.437 0.832 1.513 1.00 0.00 N ATOM 1395 CA ARG A 84 8.724 2.053 1.158 1.00 0.00 C ATOM 1396 C ARG A 84 7.272 1.989 1.623 1.00 0.00 C ATOM 1397 O ARG A 84 6.724 0.907 1.837 1.00 0.00 O ATOM 1398 CB ARG A 84 8.777 2.280 -0.354 1.00 0.00 C ATOM 1399 CG ARG A 84 8.739 3.746 -0.752 1.00 0.00 C ATOM 1400 CD ARG A 84 10.138 4.337 -0.833 1.00 0.00 C ATOM 1401 NE ARG A 84 10.164 5.576 -1.605 1.00 0.00 N ATOM 1402 CZ ARG A 84 9.858 6.765 -1.098 1.00 0.00 C ATOM 1403 NH1 ARG A 84 9.505 6.876 0.175 1.00 0.00 N ATOM 1404 NH2 ARG A 84 9.906 7.847 -1.865 1.00 0.00 N ATOM 0 H ARG A 84 9.686 0.243 0.718 1.00 0.00 H new ATOM 0 HA ARG A 84 9.212 2.888 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.687 1.829 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.937 1.764 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.243 3.850 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.148 4.306 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.509 4.529 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.812 3.612 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 84 10.432 5.526 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.468 6.047 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.271 7.790 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.178 7.766 -2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.671 8.760 -1.475 1.00 0.00 H new ATOM 1418 N LEU A 85 6.653 3.155 1.778 1.00 0.00 N ATOM 1419 CA LEU A 85 5.265 3.232 2.218 1.00 0.00 C ATOM 1420 C LEU A 85 4.940 2.107 3.194 1.00 0.00 C ATOM 1421 O LEU A 85 3.874 1.493 3.120 1.00 0.00 O ATOM 1422 CB LEU A 85 4.323 3.165 1.014 1.00 0.00 C ATOM 1423 CG LEU A 85 4.390 4.345 0.044 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.478 4.122 -0.995 1.00 0.00 C ATOM 1425 CD2 LEU A 85 3.042 4.558 -0.631 1.00 0.00 C ATOM 0 H LEU A 85 7.091 4.060 1.605 1.00 0.00 H new ATOM 0 HA LEU A 85 5.125 4.184 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.539 2.252 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.301 3.080 1.382 1.00 0.00 H new ATOM 0 HG LEU A 85 4.636 5.242 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.510 4.972 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.442 4.020 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.263 3.214 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.108 5.402 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.766 3.660 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.285 4.765 0.125 1.00 0.00 H new ATOM 1437 N LEU A 86 5.863 1.841 4.111 1.00 0.00 N ATOM 1438 CA LEU A 86 5.675 0.791 5.106 1.00 0.00 C ATOM 1439 C LEU A 86 5.447 1.387 6.491 1.00 0.00 C ATOM 1440 O LEU A 86 6.211 2.238 6.946 1.00 0.00 O ATOM 1441 CB LEU A 86 6.889 -0.139 5.132 1.00 0.00 C ATOM 1442 CG LEU A 86 6.610 -1.599 5.490 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.736 -1.686 6.731 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.953 -2.318 4.321 1.00 0.00 C ATOM 0 H LEU A 86 6.750 2.338 4.186 1.00 0.00 H new ATOM 0 HA LEU A 86 4.791 0.217 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.364 -0.111 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.610 0.258 5.847 1.00 0.00 H new ATOM 0 HG LEU A 86 7.560 -2.089 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.548 -2.732 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.244 -1.208 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.788 -1.180 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.762 -3.356 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.011 -1.828 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.615 -2.286 3.456 1.00 0.00 H new ATOM 1456 N PHE A 87 4.391 0.932 7.159 1.00 0.00 N ATOM 1457 CA PHE A 87 4.063 1.420 8.494 1.00 0.00 C ATOM 1458 C PHE A 87 3.702 0.263 9.421 1.00 0.00 C ATOM 1459 O PHE A 87 3.013 -0.675 9.021 1.00 0.00 O ATOM 1460 CB PHE A 87 2.903 2.415 8.425 1.00 0.00 C ATOM 1461 CG PHE A 87 2.983 3.349 7.251 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.962 4.327 7.192 1.00 0.00 C ATOM 1463 CD2 PHE A 87 2.079 3.247 6.206 1.00 0.00 C ATOM 1464 CE1 PHE A 87 4.037 5.187 6.112 1.00 0.00 C ATOM 1465 CE2 PHE A 87 2.149 4.104 5.124 1.00 0.00 C ATOM 1466 CZ PHE A 87 3.130 5.075 5.077 1.00 0.00 C ATOM 0 H PHE A 87 3.749 0.227 6.798 1.00 0.00 H new ATOM 0 HA PHE A 87 4.941 1.925 8.896 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.964 1.863 8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.882 3.001 9.344 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.675 4.419 7.998 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.311 2.489 6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.805 5.946 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.438 4.015 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.188 5.745 4.232 1.00 0.00 H new ATOM 1476 N ARG A 88 4.171 0.339 10.662 1.00 0.00 N ATOM 1477 CA ARG A 88 3.900 -0.701 11.647 1.00 0.00 C ATOM 1478 C ARG A 88 3.129 -0.136 12.836 1.00 0.00 C ATOM 1479 O ARG A 88 3.614 0.752 13.538 1.00 0.00 O ATOM 1480 CB ARG A 88 5.207 -1.333 12.127 1.00 0.00 C ATOM 1481 CG ARG A 88 5.794 -0.660 13.356 1.00 0.00 C ATOM 1482 CD ARG A 88 7.113 -1.298 13.765 1.00 0.00 C ATOM 1483 NE ARG A 88 7.943 -0.385 14.546 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.988 -0.776 15.266 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.329 -2.057 15.305 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.696 0.114 15.950 1.00 0.00 N ATOM 0 H ARG A 88 4.741 1.110 11.009 1.00 0.00 H new ATOM 0 HA ARG A 88 3.289 -1.467 11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.032 -2.386 12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.937 -1.295 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.949 0.400 13.153 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.085 -0.726 14.182 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.915 -2.197 14.348 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.657 -1.610 12.873 1.00 0.00 H new ATOM 0 HE ARG A 88 7.707 0.607 14.538 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.788 -2.745 14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.132 -2.354 15.859 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.438 1.100 15.923 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.498 -0.188 16.502 1.00 0.00 H new ATOM 1500 N PHE A 89 1.926 -0.656 13.057 1.00 0.00 N ATOM 1501 CA PHE A 89 1.087 -0.203 14.160 1.00 0.00 C ATOM 1502 C PHE A 89 1.641 -0.685 15.498 1.00 0.00 C ATOM 1503 O PHE A 89 1.070 -1.571 16.134 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.347 -0.704 13.978 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.221 0.246 13.210 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.581 1.469 13.752 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.682 -0.084 11.946 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -2.385 2.346 13.048 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.486 0.789 11.237 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.838 2.005 11.789 1.00 0.00 C ATOM 0 H PHE A 89 1.510 -1.392 12.486 1.00 0.00 H new ATOM 0 HA PHE A 89 1.086 0.887 14.159 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.325 -1.664 13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.789 -0.880 14.959 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.229 1.741 14.736 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.410 -1.034 11.510 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.658 3.296 13.482 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.839 0.520 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.467 2.688 11.237 1.00 0.00 H new ATOM 1520 N MET A 90 2.756 -0.096 15.917 1.00 0.00 N ATOM 1521 CA MET A 90 3.386 -0.465 17.179 1.00 0.00 C ATOM 1522 C MET A 90 2.338 -0.841 18.221 1.00 0.00 C ATOM 1523 O MET A 90 2.146 -2.018 18.528 1.00 0.00 O ATOM 1524 CB MET A 90 4.249 0.687 17.699 1.00 0.00 C ATOM 1525 CG MET A 90 5.328 1.126 16.723 1.00 0.00 C ATOM 1526 SD MET A 90 6.207 2.600 17.277 1.00 0.00 S ATOM 1527 CE MET A 90 7.625 1.863 18.086 1.00 0.00 C ATOM 0 H MET A 90 3.241 0.638 15.402 1.00 0.00 H new ATOM 0 HA MET A 90 4.021 -1.333 16.999 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.607 1.538 17.925 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.718 0.385 18.635 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.041 0.313 16.585 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.876 1.321 15.751 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.671 2.203 19.121 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.532 0.777 18.065 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.536 2.160 17.566 1.00 0.00 H new ATOM 1537 N LYS A 91 1.661 0.166 18.763 1.00 0.00 N ATOM 1538 CA LYS A 91 0.631 -0.058 19.770 1.00 0.00 C ATOM 1539 C LYS A 91 -0.762 0.041 19.156 1.00 0.00 C ATOM 1540 O LYS A 91 -0.936 0.604 18.074 1.00 0.00 O ATOM 1541 CB LYS A 91 0.771 0.956 20.908 1.00 0.00 C ATOM 1542 CG LYS A 91 0.270 0.442 22.247 1.00 0.00 C ATOM 1543 CD LYS A 91 0.605 1.403 23.374 1.00 0.00 C ATOM 1544 CE LYS A 91 -0.252 2.658 23.310 1.00 0.00 C ATOM 1545 NZ LYS A 91 0.418 3.822 23.953 1.00 0.00 N ATOM 0 H LYS A 91 1.808 1.146 18.521 1.00 0.00 H new ATOM 0 HA LYS A 91 0.762 -1.064 20.169 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.820 1.237 21.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.221 1.860 20.647 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.809 0.296 22.201 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.715 -0.531 22.454 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.455 0.907 24.333 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.658 1.677 23.319 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.471 2.895 22.269 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.206 2.471 23.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.199 4.657 23.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.605 3.606 24.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.317 4.017 23.467 1.00 0.00 H new ATOM 1559 N THR A 92 -1.752 -0.507 19.853 1.00 0.00 N ATOM 1560 CA THR A 92 -3.129 -0.480 19.376 1.00 0.00 C ATOM 1561 C THR A 92 -3.693 0.936 19.406 1.00 0.00 C ATOM 1562 O THR A 92 -3.439 1.712 20.327 1.00 0.00 O ATOM 1563 CB THR A 92 -4.034 -1.398 20.219 1.00 0.00 C ATOM 1564 OG1 THR A 92 -5.327 -1.503 19.612 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.176 -0.865 21.637 1.00 0.00 C ATOM 0 H THR A 92 -1.626 -0.975 20.750 1.00 0.00 H new ATOM 0 HA THR A 92 -3.114 -0.841 18.348 1.00 0.00 H new ATOM 0 HB THR A 92 -3.572 -2.384 20.263 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.896 -2.090 20.153 1.00 0.00 H new ATOM 0 HG21 THR A 92 -4.820 -1.530 22.213 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.194 -0.814 22.107 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.617 0.132 21.609 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.478 1.283 18.375 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.095 2.608 18.261 1.00 0.00 C ATOM 1575 C PRO A 93 -6.193 2.827 19.297 1.00 0.00 C ATOM 1576 O PRO A 93 -6.414 3.949 19.753 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.686 2.603 16.849 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.918 1.165 16.540 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.823 0.409 17.241 1.00 0.00 C ATOM 0 HA PRO A 93 -4.376 3.409 18.435 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.615 3.172 16.807 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.002 3.056 16.132 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.899 0.844 16.890 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.889 0.987 15.465 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.163 -0.571 17.577 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.967 0.242 16.587 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.876 1.749 19.665 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.950 1.824 20.649 1.00 0.00 C ATOM 1589 C ASP A 94 -7.420 2.302 21.997 1.00 0.00 C ATOM 1590 O ASP A 94 -8.158 2.876 22.796 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.622 0.459 20.806 1.00 0.00 C ATOM 1592 CG ASP A 94 -10.103 0.574 21.110 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.497 1.553 21.777 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.868 -0.315 20.682 1.00 0.00 O ATOM 0 H ASP A 94 -6.705 0.813 19.297 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.686 2.544 20.293 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.486 -0.117 19.891 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.132 -0.094 21.607 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.136 2.060 22.241 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.508 2.464 23.494 1.00 0.00 C ATOM 1601 C GLU A 95 -5.323 3.978 23.545 1.00 0.00 C ATOM 1602 O GLU A 95 -5.949 4.663 24.355 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.156 1.768 23.660 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.244 0.431 24.376 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.752 0.562 25.798 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.211 1.403 26.547 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -5.691 -0.176 26.163 1.00 0.00 O ATOM 0 H GLU A 95 -5.511 1.587 21.589 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.164 2.167 24.312 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.712 1.615 22.676 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.485 2.424 24.214 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.905 -0.233 23.818 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.259 -0.036 24.388 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.375 17.566 14.669 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.673 17.267 13.425 1.00 0.00 C ATOM 1796 C LEU A 107 -5.618 16.640 12.404 1.00 0.00 C ATOM 1797 O LEU A 107 -5.178 16.043 11.423 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.497 16.327 13.693 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.290 16.946 14.398 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.677 17.446 15.781 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.153 15.940 14.491 1.00 0.00 C ATOM 0 HA LEU A 107 -4.295 18.204 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.855 15.492 14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.164 15.914 12.741 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.948 17.797 13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.805 17.883 16.267 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.458 18.201 15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.046 16.613 16.379 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.302 16.398 14.996 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.484 15.068 15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.857 15.632 13.488 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.918 16.783 12.642 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.924 16.232 11.743 1.00 0.00 C ATOM 1815 C GLU A 108 -7.954 17.000 10.424 1.00 0.00 C ATOM 1816 O GLU A 108 -8.055 16.407 9.350 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.305 16.271 12.400 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.720 17.658 12.861 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.464 18.431 11.789 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.045 17.788 10.890 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.464 19.679 11.849 1.00 0.00 O ATOM 0 H GLU A 108 -7.299 17.276 13.450 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.659 15.196 11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.045 15.895 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.310 15.596 13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.352 17.569 13.744 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.834 18.218 13.159 1.00 0.00 H new ATOM 1828 N SER A 109 -7.866 18.323 10.515 1.00 0.00 N ATOM 1829 CA SER A 109 -7.888 19.173 9.330 1.00 0.00 C ATOM 1830 C SER A 109 -6.775 20.215 9.389 1.00 0.00 C ATOM 1831 O SER A 109 -7.019 21.409 9.223 1.00 0.00 O ATOM 1832 CB SER A 109 -9.245 19.868 9.200 1.00 0.00 C ATOM 1833 OG SER A 109 -9.507 20.227 7.854 1.00 0.00 O ATOM 0 H SER A 109 -7.779 18.829 11.396 1.00 0.00 H new ATOM 0 HA SER A 109 -7.726 18.541 8.457 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.032 19.207 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.262 20.759 9.827 1.00 0.00 H new ATOM 0 HG SER A 109 -10.380 20.668 7.797 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.552 19.752 9.626 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.400 20.643 9.708 1.00 0.00 C ATOM 1841 C GLN A 110 -3.501 20.483 8.487 1.00 0.00 C ATOM 1842 O GLN A 110 -3.043 21.468 7.909 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.603 20.365 10.983 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.580 21.441 11.308 1.00 0.00 C ATOM 1845 CD GLN A 110 -3.223 22.761 11.688 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -3.702 23.501 10.829 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -3.236 23.062 12.981 1.00 0.00 N ATOM 0 H GLN A 110 -5.333 18.765 9.765 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.767 21.669 9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.295 20.268 11.820 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.091 19.408 10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.947 21.100 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.931 21.592 10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.827 22.418 13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -3.655 23.937 13.297 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.253 19.236 8.099 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.407 18.948 6.947 1.00 0.00 C ATOM 1858 C GLU A 111 -3.206 19.041 5.649 1.00 0.00 C ATOM 1859 O GLU A 111 -2.697 19.498 4.625 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.785 17.557 7.077 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.171 17.290 8.441 1.00 0.00 C ATOM 1862 CD GLU A 111 0.145 18.016 8.641 1.00 0.00 C ATOM 1863 OE1 GLU A 111 0.121 19.255 8.795 1.00 0.00 O ATOM 1864 OE2 GLU A 111 1.199 17.346 8.642 1.00 0.00 O ATOM 0 H GLU A 111 -3.626 18.409 8.566 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.611 19.692 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.550 16.806 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.017 17.439 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.872 17.597 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.012 16.218 8.560 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.459 18.603 5.700 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.329 18.635 4.530 1.00 0.00 C ATOM 1873 C LEU A 112 -5.181 19.953 3.777 1.00 0.00 C ATOM 1874 O LEU A 112 -4.939 19.967 2.571 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.786 18.433 4.948 1.00 0.00 C ATOM 1876 CG LEU A 112 -7.130 17.071 5.550 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.629 16.947 5.771 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.627 15.949 4.653 1.00 0.00 C ATOM 0 H LEU A 112 -4.895 18.221 6.539 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.033 17.824 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.045 19.204 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.419 18.592 4.075 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.633 16.987 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.854 15.971 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.962 17.729 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.147 17.053 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.881 14.987 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.095 16.030 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.545 16.026 4.547 1.00 0.00 H new