USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -2.96! C(o=-3.4!,f=-20!) USER MOD Set 1.2: A 31 LYS NZ :NH3+ -138:sc= -0.401! (180deg=-2.14!) USER MOD Set 2.1: A 20 GLN : amide:sc= 1.57 K(o=1.5,f=-0.21!) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -166:sc= -0.706 (180deg=-1.19!) USER MOD Set 2.3: A 90 TYR OH : rot 180:sc= 0.681 USER MOD Set 3.1: A 14 HIS : no HE2:sc= -2.8! C(o=-4.7!,f=-24!) USER MOD Set 3.2: A 49 SER OG : rot 177:sc= -1.46! USER MOD Set 3.3: A 86 SER OG : rot -85:sc= 1.14 USER MOD Set 3.4: A 91 HIS : no HD1:sc= -1.56! C(o=-4.7!,f=-26!) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0659 (180deg=-0.484) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= -0.212 (180deg=-2.25!) USER MOD Single : A 12 CYS SG : rot -107:sc= -4.66! USER MOD Single : A 13 SER OG : rot 180:sc= -0.574 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0782) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.684 (180deg=0.403) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0.496 (180deg=-1.44!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 74:sc= -8.43! USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0467 (180deg=-0.393) USER MOD Single : A 55 SER OG : rot 70:sc= 1.04 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.497 (180deg=-2.11!) USER MOD Single : A 64 MET CE :methyl -136:sc= -4.42 (180deg=-10.5!) USER MOD Single : A 66 LYS NZ :NH3+ -114:sc= 0.696 (180deg=-4.54!) USER MOD Single : A 76 GLN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 81 SER OG : rot -81:sc= -1.96! USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0.896 (180deg=-0.489!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.363 8.813 -1.358 1.00 0.00 N ATOM 97 CA LYS A 9 -11.465 8.133 -0.441 1.00 0.00 C ATOM 98 C LYS A 9 -10.941 6.886 -1.123 1.00 0.00 C ATOM 99 O LYS A 9 -11.642 6.273 -1.934 1.00 0.00 O ATOM 100 CB LYS A 9 -12.200 7.701 0.833 1.00 0.00 C ATOM 101 CG LYS A 9 -12.625 8.911 1.671 1.00 0.00 C ATOM 102 CD LYS A 9 -13.380 8.396 2.903 1.00 0.00 C ATOM 103 CE LYS A 9 -13.731 9.550 3.844 1.00 0.00 C ATOM 104 NZ LYS A 9 -14.344 10.671 3.087 1.00 0.00 N ATOM 0 HA LYS A 9 -10.659 8.816 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.079 7.114 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.553 7.055 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.752 9.490 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.260 9.575 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.291 7.885 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.769 7.663 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.421 9.203 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.833 9.897 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.803 11.328 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.606 11.175 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.053 10.296 2.425 1.00 0.00 H new ATOM 118 N ILE A 10 -9.763 6.462 -0.746 1.00 0.00 N ATOM 119 CA ILE A 10 -9.198 5.253 -1.295 1.00 0.00 C ATOM 120 C ILE A 10 -9.249 4.167 -0.246 1.00 0.00 C ATOM 121 O ILE A 10 -8.719 4.337 0.852 1.00 0.00 O ATOM 122 CB ILE A 10 -7.734 5.474 -1.706 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.623 6.632 -2.693 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.191 4.208 -2.384 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.150 6.982 -2.901 1.00 0.00 C ATOM 0 H ILE A 10 -9.174 6.935 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.773 4.966 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.159 5.703 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.081 6.359 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.165 7.499 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.153 4.368 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.249 3.370 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.786 3.986 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.069 7.809 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.707 7.272 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.622 6.114 -3.297 1.00 0.00 H new ATOM 137 N LYS A 11 -9.793 3.027 -0.611 1.00 0.00 N ATOM 138 CA LYS A 11 -9.752 1.874 0.257 1.00 0.00 C ATOM 139 C LYS A 11 -8.541 1.067 -0.156 1.00 0.00 C ATOM 140 O LYS A 11 -8.519 0.523 -1.258 1.00 0.00 O ATOM 141 CB LYS A 11 -11.020 1.024 0.076 1.00 0.00 C ATOM 142 CG LYS A 11 -12.279 1.906 0.181 1.00 0.00 C ATOM 143 CD LYS A 11 -13.516 1.093 -0.232 1.00 0.00 C ATOM 144 CE LYS A 11 -13.729 -0.077 0.747 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.951 -0.823 0.389 1.00 0.00 N ATOM 0 H LYS A 11 -10.268 2.875 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.696 2.177 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.997 0.527 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.052 0.242 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.395 2.271 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.176 2.781 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.397 1.735 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.389 0.712 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.867 -0.743 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.810 0.302 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.822 -1.830 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.758 -0.447 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.135 -0.719 -0.629 1.00 0.00 H new ATOM 159 N CYS A 12 -7.488 1.082 0.648 1.00 0.00 N ATOM 160 CA CYS A 12 -6.242 0.432 0.237 1.00 0.00 C ATOM 161 C CYS A 12 -5.481 -0.178 1.394 1.00 0.00 C ATOM 162 O CYS A 12 -5.791 0.058 2.563 1.00 0.00 O ATOM 163 CB CYS A 12 -5.348 1.417 -0.551 1.00 0.00 C ATOM 164 SG CYS A 12 -3.836 1.784 0.382 1.00 0.00 S ATOM 0 H CYS A 12 -7.464 1.524 1.567 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.523 -0.394 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.090 0.989 -1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.896 2.339 -0.746 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.901 2.993 0.856 1.00 0.00 H new ATOM 170 N SER A 13 -4.480 -0.963 1.048 1.00 0.00 N ATOM 171 CA SER A 13 -3.586 -1.581 2.006 1.00 0.00 C ATOM 172 C SER A 13 -2.156 -1.430 1.497 1.00 0.00 C ATOM 173 O SER A 13 -1.946 -1.386 0.279 1.00 0.00 O ATOM 174 CB SER A 13 -3.950 -3.056 2.175 1.00 0.00 C ATOM 175 OG SER A 13 -5.317 -3.160 2.593 1.00 0.00 O ATOM 0 H SER A 13 -4.262 -1.193 0.078 1.00 0.00 H new ATOM 0 HA SER A 13 -3.676 -1.098 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.803 -3.589 1.236 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.296 -3.522 2.912 1.00 0.00 H new ATOM 0 HG SER A 13 -5.555 -4.104 2.701 1.00 0.00 H new ATOM 181 N HIS A 14 -1.177 -1.289 2.400 1.00 0.00 N ATOM 182 CA HIS A 14 0.202 -1.055 1.951 1.00 0.00 C ATOM 183 C HIS A 14 1.263 -1.848 2.715 1.00 0.00 C ATOM 184 O HIS A 14 1.098 -2.176 3.897 1.00 0.00 O ATOM 185 CB HIS A 14 0.542 0.450 1.905 1.00 0.00 C ATOM 186 CG HIS A 14 1.229 0.912 3.168 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.297 1.801 3.143 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.028 0.608 4.489 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.691 1.996 4.417 1.00 0.00 C ATOM 190 NE2 HIS A 14 1.949 1.289 5.276 1.00 0.00 N ATOM 0 H HIS A 14 -1.305 -1.331 3.411 1.00 0.00 H new ATOM 0 HA HIS A 14 0.234 -1.445 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.185 0.651 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.373 1.024 1.759 1.00 0.00 H new ATOM 0 HD1 HIS A 14 2.707 2.228 2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.267 -0.061 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.505 2.643 4.708 1.00 0.00 H new ATOM 198 N ILE A 15 2.360 -2.113 2.019 1.00 0.00 N ATOM 199 CA ILE A 15 3.537 -2.802 2.542 1.00 0.00 C ATOM 200 C ILE A 15 4.736 -1.877 2.379 1.00 0.00 C ATOM 201 O ILE A 15 4.985 -1.395 1.279 1.00 0.00 O ATOM 202 CB ILE A 15 3.765 -4.083 1.707 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.587 -5.036 1.886 1.00 0.00 C ATOM 204 CG2 ILE A 15 5.064 -4.794 2.110 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.665 -6.152 0.851 1.00 0.00 C ATOM 0 H ILE A 15 2.461 -1.846 1.040 1.00 0.00 H new ATOM 0 HA ILE A 15 3.402 -3.064 3.592 1.00 0.00 H new ATOM 0 HB ILE A 15 3.848 -3.788 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.598 -5.458 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.648 -4.493 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.192 -5.690 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.909 -4.125 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.015 -5.073 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.822 -6.830 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.632 -5.723 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.597 -6.703 0.979 1.00 0.00 H new ATOM 217 N LEU A 16 5.466 -1.616 3.455 1.00 0.00 N ATOM 218 CA LEU A 16 6.624 -0.721 3.375 1.00 0.00 C ATOM 219 C LEU A 16 7.904 -1.533 3.425 1.00 0.00 C ATOM 220 O LEU A 16 8.144 -2.257 4.395 1.00 0.00 O ATOM 221 CB LEU A 16 6.624 0.265 4.553 1.00 0.00 C ATOM 222 CG LEU A 16 7.452 1.519 4.188 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.208 2.621 5.220 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.947 1.183 4.145 1.00 0.00 C ATOM 0 H LEU A 16 5.285 -2.002 4.382 1.00 0.00 H new ATOM 0 HA LEU A 16 6.565 -0.168 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.602 0.552 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.042 -0.213 5.439 1.00 0.00 H new ATOM 0 HG LEU A 16 7.139 1.865 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.794 3.502 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.149 2.880 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.506 2.268 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.514 2.078 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.267 0.821 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.125 0.412 3.396 1.00 0.00 H new ATOM 236 N VAL A 17 8.738 -1.375 2.421 1.00 0.00 N ATOM 237 CA VAL A 17 10.015 -2.060 2.358 1.00 0.00 C ATOM 238 C VAL A 17 11.111 -1.100 1.914 1.00 0.00 C ATOM 239 O VAL A 17 10.839 -0.089 1.259 1.00 0.00 O ATOM 240 CB VAL A 17 9.929 -3.257 1.404 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.961 -4.301 1.970 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.418 -2.795 0.034 1.00 0.00 C ATOM 0 H VAL A 17 8.552 -0.768 1.623 1.00 0.00 H new ATOM 0 HA VAL A 17 10.263 -2.428 3.354 1.00 0.00 H new ATOM 0 HB VAL A 17 10.922 -3.694 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.903 -5.150 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.319 -4.640 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.972 -3.857 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.359 -3.650 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.428 -2.352 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.103 -2.054 -0.379 1.00 0.00 H new ATOM 252 N LYS A 18 12.343 -1.407 2.275 1.00 0.00 N ATOM 253 CA LYS A 18 13.471 -0.577 1.879 1.00 0.00 C ATOM 254 C LYS A 18 13.941 -0.923 0.472 1.00 0.00 C ATOM 255 O LYS A 18 14.646 -0.137 -0.170 1.00 0.00 O ATOM 256 CB LYS A 18 14.626 -0.686 2.882 1.00 0.00 C ATOM 257 CG LYS A 18 14.981 -2.163 3.138 1.00 0.00 C ATOM 258 CD LYS A 18 14.708 -2.523 4.602 1.00 0.00 C ATOM 259 CE LYS A 18 15.490 -3.788 4.967 1.00 0.00 C ATOM 260 NZ LYS A 18 16.881 -3.430 5.345 1.00 0.00 N ATOM 0 H LYS A 18 12.590 -2.220 2.839 1.00 0.00 H new ATOM 0 HA LYS A 18 13.129 0.458 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.499 -0.157 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.348 -0.205 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.394 -2.805 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.030 -2.339 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.003 -1.699 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.641 -2.684 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.000 -4.303 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.499 -4.477 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.407 -4.293 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.347 -2.957 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.864 -2.789 6.164 1.00 0.00 H new ATOM 274 N LYS A 19 13.625 -2.134 0.026 1.00 0.00 N ATOM 275 CA LYS A 19 14.089 -2.603 -1.273 1.00 0.00 C ATOM 276 C LYS A 19 12.952 -2.598 -2.287 1.00 0.00 C ATOM 277 O LYS A 19 11.869 -3.148 -2.027 1.00 0.00 O ATOM 278 CB LYS A 19 14.625 -4.029 -1.147 1.00 0.00 C ATOM 279 CG LYS A 19 15.811 -4.065 -0.176 1.00 0.00 C ATOM 280 CD LYS A 19 16.317 -5.507 -0.051 1.00 0.00 C ATOM 281 CE LYS A 19 17.379 -5.593 1.048 1.00 0.00 C ATOM 282 NZ LYS A 19 18.610 -4.898 0.603 1.00 0.00 N ATOM 0 H LYS A 19 13.054 -2.804 0.541 1.00 0.00 H new ATOM 0 HA LYS A 19 14.878 -1.932 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.836 -4.692 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.935 -4.396 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.610 -3.416 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.508 -3.687 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.487 -6.174 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.737 -5.838 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.005 -5.140 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.599 -6.636 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.378 -5.085 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.884 -5.246 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.433 -3.874 0.555 1.00 0.00 H new ATOM 296 N GLN A 20 13.255 -2.146 -3.492 1.00 0.00 N ATOM 297 CA GLN A 20 12.308 -2.237 -4.586 1.00 0.00 C ATOM 298 C GLN A 20 12.041 -3.707 -4.875 1.00 0.00 C ATOM 299 O GLN A 20 10.917 -4.103 -5.174 1.00 0.00 O ATOM 300 CB GLN A 20 12.861 -1.557 -5.844 1.00 0.00 C ATOM 301 CG GLN A 20 12.993 -0.045 -5.614 1.00 0.00 C ATOM 302 CD GLN A 20 13.572 0.627 -6.857 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.611 0.020 -7.935 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.027 1.837 -6.784 1.00 0.00 N ATOM 0 H GLN A 20 14.146 -1.714 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 20 11.385 -1.731 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.833 -1.980 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.200 -1.747 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.017 0.382 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.637 0.145 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.997 2.341 -5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.416 2.287 -7.613 1.00 0.00 H new ATOM 313 N GLY A 21 13.086 -4.513 -4.755 1.00 0.00 N ATOM 314 CA GLY A 21 12.984 -5.946 -4.985 1.00 0.00 C ATOM 315 C GLY A 21 11.995 -6.573 -4.031 1.00 0.00 C ATOM 316 O GLY A 21 11.149 -7.373 -4.444 1.00 0.00 O ATOM 0 H GLY A 21 14.021 -4.195 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.673 -6.133 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.962 -6.410 -4.859 1.00 0.00 H new ATOM 320 N GLU A 22 12.034 -6.147 -2.779 1.00 0.00 N ATOM 321 CA GLU A 22 11.089 -6.638 -1.796 1.00 0.00 C ATOM 322 C GLU A 22 9.684 -6.207 -2.184 1.00 0.00 C ATOM 323 O GLU A 22 8.746 -7.017 -2.197 1.00 0.00 O ATOM 324 CB GLU A 22 11.442 -6.088 -0.411 1.00 0.00 C ATOM 325 CG GLU A 22 12.749 -6.728 0.090 1.00 0.00 C ATOM 326 CD GLU A 22 13.202 -6.108 1.409 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.574 -5.176 1.868 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.177 -6.582 1.944 1.00 0.00 O ATOM 0 H GLU A 22 12.706 -5.467 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 22 11.135 -7.727 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.552 -5.005 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.633 -6.296 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.604 -7.800 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.529 -6.601 -0.661 1.00 0.00 H new ATOM 335 N ALA A 23 9.561 -4.952 -2.588 1.00 0.00 N ATOM 336 CA ALA A 23 8.278 -4.431 -3.030 1.00 0.00 C ATOM 337 C ALA A 23 7.772 -5.222 -4.236 1.00 0.00 C ATOM 338 O ALA A 23 6.625 -5.671 -4.273 1.00 0.00 O ATOM 339 CB ALA A 23 8.393 -2.943 -3.376 1.00 0.00 C ATOM 0 H ALA A 23 10.328 -4.280 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 23 7.561 -4.540 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.423 -2.570 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.715 -2.388 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.123 -2.811 -4.175 1.00 0.00 H new ATOM 345 N LEU A 24 8.648 -5.461 -5.183 1.00 0.00 N ATOM 346 CA LEU A 24 8.286 -6.260 -6.338 1.00 0.00 C ATOM 347 C LEU A 24 7.928 -7.672 -5.915 1.00 0.00 C ATOM 348 O LEU A 24 7.032 -8.297 -6.493 1.00 0.00 O ATOM 349 CB LEU A 24 9.413 -6.288 -7.373 1.00 0.00 C ATOM 350 CG LEU A 24 9.562 -4.911 -8.033 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.824 -4.909 -8.884 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.353 -4.636 -8.940 1.00 0.00 C ATOM 0 H LEU A 24 9.609 -5.119 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 24 7.415 -5.797 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.350 -6.573 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.201 -7.042 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 24 9.621 -4.143 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.941 -3.935 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.689 -5.111 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.747 -5.680 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.463 -3.657 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.297 -5.402 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.440 -4.653 -8.345 1.00 0.00 H new ATOM 364 N ALA A 25 8.678 -8.210 -4.967 1.00 0.00 N ATOM 365 CA ALA A 25 8.455 -9.577 -4.526 1.00 0.00 C ATOM 366 C ALA A 25 7.040 -9.743 -3.995 1.00 0.00 C ATOM 367 O ALA A 25 6.328 -10.658 -4.402 1.00 0.00 O ATOM 368 CB ALA A 25 9.471 -9.985 -3.456 1.00 0.00 C ATOM 0 H ALA A 25 9.440 -7.726 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 25 8.586 -10.231 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.280 -11.012 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.479 -9.911 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.379 -9.322 -2.595 1.00 0.00 H new ATOM 374 N VAL A 26 6.596 -8.806 -3.161 1.00 0.00 N ATOM 375 CA VAL A 26 5.228 -8.861 -2.669 1.00 0.00 C ATOM 376 C VAL A 26 4.259 -8.654 -3.813 1.00 0.00 C ATOM 377 O VAL A 26 3.247 -9.346 -3.918 1.00 0.00 O ATOM 378 CB VAL A 26 4.971 -7.865 -1.519 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.014 -8.063 -0.426 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.043 -6.426 -2.023 1.00 0.00 C ATOM 0 H VAL A 26 7.149 -8.020 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 26 5.067 -9.853 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 26 3.973 -8.051 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.830 -7.358 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.951 -9.081 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.009 -7.891 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.859 -5.741 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.032 -6.235 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.289 -6.273 -2.795 1.00 0.00 H new ATOM 390 N GLN A 27 4.615 -7.754 -4.719 1.00 0.00 N ATOM 391 CA GLN A 27 3.787 -7.510 -5.877 1.00 0.00 C ATOM 392 C GLN A 27 3.535 -8.821 -6.616 1.00 0.00 C ATOM 393 O GLN A 27 2.385 -9.182 -6.881 1.00 0.00 O ATOM 394 CB GLN A 27 4.477 -6.480 -6.798 1.00 0.00 C ATOM 395 CG GLN A 27 3.942 -6.583 -8.229 1.00 0.00 C ATOM 396 CD GLN A 27 2.501 -6.112 -8.295 1.00 0.00 C ATOM 397 OE1 GLN A 27 1.582 -6.929 -8.402 1.00 0.00 O ATOM 398 NE2 GLN A 27 2.245 -4.844 -8.226 1.00 0.00 N ATOM 0 H GLN A 27 5.463 -7.190 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 27 2.825 -7.104 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.310 -5.474 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.554 -6.647 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.558 -5.982 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.009 -7.614 -8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.009 -4.174 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.280 -4.516 -8.260 1.00 0.00 H new ATOM 407 N GLU A 28 4.595 -9.574 -6.861 1.00 0.00 N ATOM 408 CA GLU A 28 4.452 -10.873 -7.495 1.00 0.00 C ATOM 409 C GLU A 28 3.743 -11.853 -6.564 1.00 0.00 C ATOM 410 O GLU A 28 2.990 -12.716 -7.019 1.00 0.00 O ATOM 411 CB GLU A 28 5.813 -11.445 -7.902 1.00 0.00 C ATOM 412 CG GLU A 28 6.419 -10.605 -9.035 1.00 0.00 C ATOM 413 CD GLU A 28 7.773 -11.158 -9.447 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.106 -12.243 -9.037 1.00 0.00 O ATOM 415 OE2 GLU A 28 8.461 -10.486 -10.177 1.00 0.00 O ATOM 0 H GLU A 28 5.554 -9.311 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 28 3.851 -10.733 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.485 -11.452 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.700 -12.480 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.746 -10.601 -9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.527 -9.570 -8.710 1.00 0.00 H new ATOM 422 N ARG A 29 4.082 -11.789 -5.287 1.00 0.00 N ATOM 423 CA ARG A 29 3.577 -12.738 -4.300 1.00 0.00 C ATOM 424 C ARG A 29 2.059 -12.631 -4.168 1.00 0.00 C ATOM 425 O ARG A 29 1.359 -13.642 -4.066 1.00 0.00 O ATOM 426 CB ARG A 29 4.241 -12.504 -2.934 1.00 0.00 C ATOM 427 CG ARG A 29 3.962 -13.700 -2.009 1.00 0.00 C ATOM 428 CD ARG A 29 4.822 -14.894 -2.451 1.00 0.00 C ATOM 429 NE ARG A 29 4.110 -16.145 -2.235 1.00 0.00 N ATOM 430 CZ ARG A 29 4.456 -17.271 -2.870 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.475 -17.272 -3.679 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.775 -18.362 -2.681 1.00 0.00 N ATOM 0 H ARG A 29 4.711 -11.083 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 29 3.825 -13.742 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.316 -12.372 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.858 -11.588 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.189 -13.436 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.905 -13.965 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.080 -14.793 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.758 -14.901 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 29 3.326 -16.164 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.009 -16.416 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.740 -18.129 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.975 -18.361 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.040 -19.219 -3.166 1.00 0.00 H new ATOM 446 N LEU A 30 1.552 -11.412 -4.193 1.00 0.00 N ATOM 447 CA LEU A 30 0.123 -11.188 -4.061 1.00 0.00 C ATOM 448 C LEU A 30 -0.615 -11.856 -5.183 1.00 0.00 C ATOM 449 O LEU A 30 -1.686 -12.439 -4.979 1.00 0.00 O ATOM 450 CB LEU A 30 -0.206 -9.685 -4.021 1.00 0.00 C ATOM 451 CG LEU A 30 -0.194 -9.159 -2.571 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.527 -9.504 -1.894 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.956 -9.785 -1.769 1.00 0.00 C ATOM 0 H LEU A 30 2.107 -10.563 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.200 -11.626 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.520 -9.133 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.185 -9.511 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.052 -8.079 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.521 -9.133 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.345 -9.039 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.663 -10.585 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.942 -9.398 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.837 -10.868 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.907 -9.534 -2.240 1.00 0.00 H new ATOM 465 N LYS A 31 -0.041 -11.799 -6.363 1.00 0.00 N ATOM 466 CA LYS A 31 -0.667 -12.403 -7.514 1.00 0.00 C ATOM 467 C LYS A 31 -0.763 -13.921 -7.349 1.00 0.00 C ATOM 468 O LYS A 31 -1.613 -14.567 -7.981 1.00 0.00 O ATOM 469 CB LYS A 31 0.078 -12.039 -8.802 1.00 0.00 C ATOM 470 CG LYS A 31 0.117 -10.501 -8.985 1.00 0.00 C ATOM 471 CD LYS A 31 -1.289 -9.922 -8.790 1.00 0.00 C ATOM 472 CE LYS A 31 -1.500 -8.680 -9.672 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.348 -7.747 -9.566 1.00 0.00 N ATOM 0 H LYS A 31 0.852 -11.343 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.679 -12.006 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.093 -12.434 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.414 -12.501 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.806 -10.057 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.488 -10.253 -9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.035 -10.678 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.436 -9.658 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.630 -8.985 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.415 -8.169 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.697 -6.769 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.201 -7.969 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.259 -7.849 -10.404 1.00 0.00 H new ATOM 487 N ALA A 32 0.000 -14.468 -6.403 1.00 0.00 N ATOM 488 CA ALA A 32 -0.098 -15.886 -6.081 1.00 0.00 C ATOM 489 C ALA A 32 -1.396 -16.162 -5.343 1.00 0.00 C ATOM 490 O ALA A 32 -1.757 -17.317 -5.110 1.00 0.00 O ATOM 491 CB ALA A 32 1.096 -16.339 -5.234 1.00 0.00 C ATOM 0 H ALA A 32 0.687 -13.953 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.088 -16.451 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.999 -17.401 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.020 -16.169 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.119 -15.770 -4.305 1.00 0.00 H new ATOM 497 N GLY A 33 -2.084 -15.093 -4.955 1.00 0.00 N ATOM 498 CA GLY A 33 -3.338 -15.212 -4.227 1.00 0.00 C ATOM 499 C GLY A 33 -3.095 -15.248 -2.727 1.00 0.00 C ATOM 500 O GLY A 33 -4.007 -15.536 -1.948 1.00 0.00 O ATOM 0 H GLY A 33 -1.791 -14.132 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.987 -14.372 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.858 -16.119 -4.537 1.00 0.00 H new ATOM 504 N GLU A 34 -1.876 -14.922 -2.317 1.00 0.00 N ATOM 505 CA GLU A 34 -1.540 -14.894 -0.901 1.00 0.00 C ATOM 506 C GLU A 34 -1.938 -13.565 -0.270 1.00 0.00 C ATOM 507 O GLU A 34 -2.122 -12.569 -0.979 1.00 0.00 O ATOM 508 CB GLU A 34 -0.059 -15.197 -0.680 1.00 0.00 C ATOM 509 CG GLU A 34 0.203 -16.651 -1.106 1.00 0.00 C ATOM 510 CD GLU A 34 1.641 -17.050 -0.861 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.413 -16.229 -0.419 1.00 0.00 O ATOM 512 OE2 GLU A 34 1.958 -18.187 -1.108 1.00 0.00 O ATOM 0 H GLU A 34 -1.108 -14.675 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.112 -15.678 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.560 -14.513 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.206 -15.054 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.460 -17.318 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.033 -16.770 -2.163 1.00 0.00 H new ATOM 519 N LYS A 35 -2.208 -13.588 1.034 1.00 0.00 N ATOM 520 CA LYS A 35 -2.752 -12.422 1.716 1.00 0.00 C ATOM 521 C LYS A 35 -1.775 -11.257 1.716 1.00 0.00 C ATOM 522 O LYS A 35 -0.615 -11.378 2.151 1.00 0.00 O ATOM 523 CB LYS A 35 -3.169 -12.756 3.161 1.00 0.00 C ATOM 524 CG LYS A 35 -4.303 -11.804 3.607 1.00 0.00 C ATOM 525 CD LYS A 35 -4.818 -12.216 4.999 1.00 0.00 C ATOM 526 CE LYS A 35 -6.041 -11.363 5.389 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.704 -9.908 5.346 1.00 0.00 N ATOM 0 H LYS A 35 -2.059 -14.399 1.635 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.639 -12.123 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.504 -13.791 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.314 -12.657 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.938 -10.777 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.119 -11.833 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.088 -13.272 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.027 -12.091 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.867 -11.570 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.376 -11.635 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.486 -9.358 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.836 -9.736 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.555 -9.615 4.359 1.00 0.00 H new ATOM 541 N PHE A 36 -2.302 -10.102 1.362 1.00 0.00 N ATOM 542 CA PHE A 36 -1.549 -8.868 1.371 1.00 0.00 C ATOM 543 C PHE A 36 -1.009 -8.657 2.769 1.00 0.00 C ATOM 544 O PHE A 36 0.165 -8.360 2.962 1.00 0.00 O ATOM 545 CB PHE A 36 -2.484 -7.708 0.996 1.00 0.00 C ATOM 546 CG PHE A 36 -1.695 -6.437 0.825 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.079 -6.161 -0.404 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.580 -5.534 1.883 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.354 -4.989 -0.573 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.848 -4.356 1.710 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.237 -4.085 0.477 1.00 0.00 C ATOM 0 H PHE A 36 -3.270 -9.995 1.059 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.728 -8.911 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.014 -7.943 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.238 -7.575 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.169 -6.862 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.054 -5.744 2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.119 -4.779 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.753 -3.655 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.325 -3.173 0.343 1.00 0.00 H new ATOM 561 N GLY A 37 -1.872 -8.875 3.744 1.00 0.00 N ATOM 562 CA GLY A 37 -1.498 -8.737 5.137 1.00 0.00 C ATOM 563 C GLY A 37 -0.358 -9.663 5.507 1.00 0.00 C ATOM 564 O GLY A 37 0.541 -9.269 6.241 1.00 0.00 O ATOM 0 H GLY A 37 -2.843 -9.150 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.207 -7.705 5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.360 -8.952 5.768 1.00 0.00 H new ATOM 568 N LYS A 38 -0.356 -10.878 4.963 1.00 0.00 N ATOM 569 CA LYS A 38 0.751 -11.780 5.241 1.00 0.00 C ATOM 570 C LYS A 38 2.041 -11.175 4.750 1.00 0.00 C ATOM 571 O LYS A 38 3.010 -11.080 5.500 1.00 0.00 O ATOM 572 CB LYS A 38 0.544 -13.167 4.614 1.00 0.00 C ATOM 573 CG LYS A 38 1.746 -14.060 4.984 1.00 0.00 C ATOM 574 CD LYS A 38 1.557 -15.470 4.421 1.00 0.00 C ATOM 575 CE LYS A 38 2.804 -16.329 4.722 1.00 0.00 C ATOM 576 NZ LYS A 38 3.278 -16.067 6.108 1.00 0.00 N ATOM 0 H LYS A 38 -1.082 -11.248 4.349 1.00 0.00 H new ATOM 0 HA LYS A 38 0.797 -11.918 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.383 -13.611 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.455 -13.083 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.665 -13.625 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.853 -14.106 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.673 -15.931 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.389 -15.422 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.565 -17.386 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.595 -16.099 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.835 -16.879 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.872 -15.213 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.460 -15.926 6.734 1.00 0.00 H new ATOM 590 N LEU A 39 2.021 -10.671 3.527 1.00 0.00 N ATOM 591 CA LEU A 39 3.200 -10.006 2.989 1.00 0.00 C ATOM 592 C LEU A 39 3.523 -8.793 3.846 1.00 0.00 C ATOM 593 O LEU A 39 4.694 -8.532 4.159 1.00 0.00 O ATOM 594 CB LEU A 39 2.983 -9.570 1.529 1.00 0.00 C ATOM 595 CG LEU A 39 3.209 -10.753 0.559 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.641 -11.282 0.683 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.217 -11.883 0.854 1.00 0.00 C ATOM 0 H LEU A 39 1.219 -10.707 2.897 1.00 0.00 H new ATOM 0 HA LEU A 39 4.032 -10.710 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.971 -9.183 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.666 -8.757 1.283 1.00 0.00 H new ATOM 0 HG LEU A 39 3.049 -10.394 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.782 -12.114 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.345 -10.486 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.816 -11.623 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.389 -12.708 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.357 -12.232 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.199 -11.514 0.732 1.00 0.00 H new ATOM 609 N ALA A 40 2.474 -8.070 4.241 1.00 0.00 N ATOM 610 CA ALA A 40 2.623 -6.886 5.072 1.00 0.00 C ATOM 611 C ALA A 40 3.325 -7.224 6.372 1.00 0.00 C ATOM 612 O ALA A 40 4.336 -6.616 6.712 1.00 0.00 O ATOM 613 CB ALA A 40 1.261 -6.247 5.364 1.00 0.00 C ATOM 0 H ALA A 40 1.509 -8.290 3.994 1.00 0.00 H new ATOM 0 HA ALA A 40 3.233 -6.170 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.400 -5.363 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.786 -5.959 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.627 -6.964 5.887 1.00 0.00 H new ATOM 619 N LYS A 41 2.845 -8.239 7.050 1.00 0.00 N ATOM 620 CA LYS A 41 3.482 -8.706 8.268 1.00 0.00 C ATOM 621 C LYS A 41 4.878 -9.245 7.984 1.00 0.00 C ATOM 622 O LYS A 41 5.771 -9.156 8.837 1.00 0.00 O ATOM 623 CB LYS A 41 2.617 -9.751 8.990 1.00 0.00 C ATOM 624 CG LYS A 41 1.361 -9.067 9.564 1.00 0.00 C ATOM 625 CD LYS A 41 0.483 -10.094 10.299 1.00 0.00 C ATOM 626 CE LYS A 41 -0.750 -9.380 10.881 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.622 -10.353 11.602 1.00 0.00 N ATOM 0 H LYS A 41 2.012 -8.762 6.781 1.00 0.00 H new ATOM 0 HA LYS A 41 3.584 -7.850 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.329 -10.542 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.187 -10.220 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.653 -8.271 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.792 -8.602 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.172 -10.882 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.052 -10.572 11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.433 -8.591 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.313 -8.902 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.450 -9.857 11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.939 -11.091 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.086 -10.790 12.379 1.00 0.00 H new ATOM 641 N GLU A 42 5.028 -9.901 6.841 1.00 0.00 N ATOM 642 CA GLU A 42 6.278 -10.565 6.492 1.00 0.00 C ATOM 643 C GLU A 42 7.386 -9.553 6.128 1.00 0.00 C ATOM 644 O GLU A 42 8.321 -9.343 6.905 1.00 0.00 O ATOM 645 CB GLU A 42 6.047 -11.549 5.310 1.00 0.00 C ATOM 646 CG GLU A 42 6.752 -12.884 5.561 1.00 0.00 C ATOM 647 CD GLU A 42 5.854 -13.808 6.355 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.836 -13.694 7.555 1.00 0.00 O ATOM 649 OE2 GLU A 42 5.197 -14.624 5.753 1.00 0.00 O ATOM 0 H GLU A 42 4.296 -9.988 6.136 1.00 0.00 H new ATOM 0 HA GLU A 42 6.612 -11.119 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.978 -11.718 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.418 -11.106 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.015 -13.349 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.683 -12.716 6.102 1.00 0.00 H new ATOM 656 N LEU A 43 7.352 -9.049 4.895 1.00 0.00 N ATOM 657 CA LEU A 43 8.427 -8.186 4.375 1.00 0.00 C ATOM 658 C LEU A 43 8.513 -6.851 5.061 1.00 0.00 C ATOM 659 O LEU A 43 9.584 -6.240 5.110 1.00 0.00 O ATOM 660 CB LEU A 43 8.237 -7.919 2.889 1.00 0.00 C ATOM 661 CG LEU A 43 8.770 -9.080 2.066 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.820 -10.271 2.194 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.860 -8.631 0.610 1.00 0.00 C ATOM 0 H LEU A 43 6.595 -9.220 4.233 1.00 0.00 H new ATOM 0 HA LEU A 43 9.347 -8.737 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.179 -7.768 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.753 -7.001 2.610 1.00 0.00 H new ATOM 0 HG LEU A 43 9.756 -9.381 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.201 -11.105 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.749 -10.569 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.832 -9.989 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.241 -9.450 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.870 -8.345 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.534 -7.778 0.533 1.00 0.00 H new ATOM 675 N SER A 44 7.365 -6.267 5.263 1.00 0.00 N ATOM 676 CA SER A 44 7.286 -4.859 5.555 1.00 0.00 C ATOM 677 C SER A 44 8.059 -4.476 6.802 1.00 0.00 C ATOM 678 O SER A 44 8.093 -5.222 7.779 1.00 0.00 O ATOM 679 CB SER A 44 5.849 -4.473 5.720 1.00 0.00 C ATOM 680 OG SER A 44 5.073 -5.237 4.827 1.00 0.00 O ATOM 0 H SER A 44 6.465 -6.746 5.231 1.00 0.00 H new ATOM 0 HA SER A 44 7.738 -4.324 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.526 -4.647 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.718 -3.409 5.521 1.00 0.00 H new ATOM 0 HG SER A 44 5.004 -6.157 5.158 1.00 0.00 H new ATOM 686 N ILE A 45 8.596 -3.267 6.794 1.00 0.00 N ATOM 687 CA ILE A 45 9.267 -2.720 7.960 1.00 0.00 C ATOM 688 C ILE A 45 8.322 -1.793 8.712 1.00 0.00 C ATOM 689 O ILE A 45 8.630 -1.327 9.807 1.00 0.00 O ATOM 690 CB ILE A 45 10.553 -1.980 7.556 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.219 -0.840 6.592 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.516 -2.950 6.865 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.474 -0.008 6.327 1.00 0.00 C ATOM 0 H ILE A 45 8.579 -2.643 5.987 1.00 0.00 H new ATOM 0 HA ILE A 45 9.551 -3.541 8.618 1.00 0.00 H new ATOM 0 HB ILE A 45 11.020 -1.575 8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.833 -1.243 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.436 -0.211 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.425 -2.420 6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.767 -3.761 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.042 -3.360 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.234 0.804 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.840 0.407 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.244 -0.641 5.886 1.00 0.00 H new ATOM 705 N ASP A 46 7.138 -1.568 8.134 1.00 0.00 N ATOM 706 CA ASP A 46 6.123 -0.745 8.773 1.00 0.00 C ATOM 707 C ASP A 46 5.309 -1.594 9.730 1.00 0.00 C ATOM 708 O ASP A 46 4.330 -2.241 9.333 1.00 0.00 O ATOM 709 CB ASP A 46 5.194 -0.108 7.718 1.00 0.00 C ATOM 710 CG ASP A 46 4.170 0.823 8.365 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.991 0.762 9.563 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.554 1.584 7.645 1.00 0.00 O ATOM 0 H ASP A 46 6.865 -1.946 7.227 1.00 0.00 H new ATOM 0 HA ASP A 46 6.618 0.055 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.790 0.450 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.677 -0.892 7.166 1.00 0.00 H new ATOM 717 N GLY A 47 5.717 -1.597 10.981 1.00 0.00 N ATOM 718 CA GLY A 47 5.047 -2.384 11.992 1.00 0.00 C ATOM 719 C GLY A 47 3.606 -1.943 12.146 1.00 0.00 C ATOM 720 O GLY A 47 2.697 -2.761 12.125 1.00 0.00 O ATOM 0 H GLY A 47 6.514 -1.060 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.083 -3.439 11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.568 -2.281 12.944 1.00 0.00 H new ATOM 724 N GLY A 48 3.388 -0.638 12.184 1.00 0.00 N ATOM 725 CA GLY A 48 2.039 -0.107 12.306 1.00 0.00 C ATOM 726 C GLY A 48 1.158 -0.673 11.213 1.00 0.00 C ATOM 727 O GLY A 48 0.027 -1.092 11.463 1.00 0.00 O ATOM 0 H GLY A 48 4.122 0.069 12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.627 -0.359 13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.060 0.981 12.240 1.00 0.00 H new ATOM 731 N SER A 49 1.691 -0.752 10.012 1.00 0.00 N ATOM 732 CA SER A 49 0.966 -1.386 8.930 1.00 0.00 C ATOM 733 C SER A 49 0.955 -2.910 9.097 1.00 0.00 C ATOM 734 O SER A 49 -0.032 -3.568 8.775 1.00 0.00 O ATOM 735 CB SER A 49 1.553 -0.987 7.584 1.00 0.00 C ATOM 736 OG SER A 49 1.422 0.425 7.434 1.00 0.00 O ATOM 0 H SER A 49 2.611 -0.391 9.761 1.00 0.00 H new ATOM 0 HA SER A 49 -0.067 -1.040 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.602 -1.278 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.034 -1.503 6.776 1.00 0.00 H new ATOM 0 HG SER A 49 1.838 0.704 6.592 1.00 0.00 H new ATOM 742 N ALA A 50 2.037 -3.457 9.653 1.00 0.00 N ATOM 743 CA ALA A 50 2.128 -4.898 9.889 1.00 0.00 C ATOM 744 C ALA A 50 1.132 -5.331 10.944 1.00 0.00 C ATOM 745 O ALA A 50 0.415 -6.321 10.778 1.00 0.00 O ATOM 746 CB ALA A 50 3.541 -5.280 10.335 1.00 0.00 C ATOM 0 H ALA A 50 2.858 -2.928 9.947 1.00 0.00 H new ATOM 0 HA ALA A 50 1.898 -5.407 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.590 -6.355 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.255 -5.003 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.786 -4.754 11.258 1.00 0.00 H new ATOM 752 N LYS A 51 1.026 -4.531 11.990 1.00 0.00 N ATOM 753 CA LYS A 51 0.075 -4.789 13.053 1.00 0.00 C ATOM 754 C LYS A 51 -1.319 -4.734 12.474 1.00 0.00 C ATOM 755 O LYS A 51 -2.224 -5.448 12.907 1.00 0.00 O ATOM 756 CB LYS A 51 0.220 -3.737 14.169 1.00 0.00 C ATOM 757 CG LYS A 51 1.621 -3.811 14.813 1.00 0.00 C ATOM 758 CD LYS A 51 1.829 -5.156 15.526 1.00 0.00 C ATOM 759 CE LYS A 51 3.240 -5.195 16.134 1.00 0.00 C ATOM 760 NZ LYS A 51 3.345 -4.188 17.221 1.00 0.00 N ATOM 0 H LYS A 51 1.591 -3.693 12.125 1.00 0.00 H new ATOM 0 HA LYS A 51 0.264 -5.773 13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.055 -2.740 13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.544 -3.899 14.929 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.385 -3.680 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.741 -2.995 15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.080 -5.286 16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.701 -5.978 14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.450 -6.190 16.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.984 -4.992 15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.163 -4.411 17.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.468 -3.242 16.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.478 -4.205 17.795 1.00 0.00 H new ATOM 774 N ARG A 52 -1.473 -3.896 11.471 1.00 0.00 N ATOM 775 CA ARG A 52 -2.739 -3.715 10.789 1.00 0.00 C ATOM 776 C ARG A 52 -2.785 -4.569 9.523 1.00 0.00 C ATOM 777 O ARG A 52 -3.593 -4.316 8.631 1.00 0.00 O ATOM 778 CB ARG A 52 -2.918 -2.242 10.430 1.00 0.00 C ATOM 779 CG ARG A 52 -3.011 -1.406 11.715 1.00 0.00 C ATOM 780 CD ARG A 52 -3.102 0.074 11.349 1.00 0.00 C ATOM 781 NE ARG A 52 -1.850 0.517 10.741 1.00 0.00 N ATOM 782 CZ ARG A 52 -1.733 1.726 10.173 1.00 0.00 C ATOM 783 NH1 ARG A 52 -2.740 2.554 10.197 1.00 0.00 N ATOM 784 NH2 ARG A 52 -0.612 2.080 9.605 1.00 0.00 N ATOM 0 H ARG A 52 -0.719 -3.317 11.103 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.548 -4.028 11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.080 -1.901 9.822 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.820 -2.110 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.885 -1.704 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.138 -1.584 12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.929 0.236 10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.312 0.665 12.240 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.045 -0.109 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.614 2.281 10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.654 3.474 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.179 1.436 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.527 3.001 9.174 1.00 0.00 H new ATOM 798 N ASP A 53 -1.866 -5.539 9.436 1.00 0.00 N ATOM 799 CA ASP A 53 -1.749 -6.431 8.273 1.00 0.00 C ATOM 800 C ASP A 53 -1.900 -5.677 6.951 1.00 0.00 C ATOM 801 O ASP A 53 -2.459 -6.179 5.974 1.00 0.00 O ATOM 802 CB ASP A 53 -2.660 -7.696 8.397 1.00 0.00 C ATOM 803 CG ASP A 53 -3.953 -7.591 7.598 1.00 0.00 C ATOM 804 OD1 ASP A 53 -4.610 -6.587 7.694 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.285 -8.552 6.925 1.00 0.00 O ATOM 0 H ASP A 53 -1.182 -5.728 10.169 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.731 -6.820 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.103 -8.570 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.903 -7.858 9.447 1.00 0.00 H new ATOM 810 N GLY A 54 -1.332 -4.481 6.923 1.00 0.00 N ATOM 811 CA GLY A 54 -1.304 -3.656 5.724 1.00 0.00 C ATOM 812 C GLY A 54 -2.649 -3.014 5.456 1.00 0.00 C ATOM 813 O GLY A 54 -2.751 -2.107 4.623 1.00 0.00 O ATOM 0 H GLY A 54 -0.877 -4.055 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.546 -2.881 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.015 -4.267 4.869 1.00 0.00 H new ATOM 817 N SER A 55 -3.675 -3.464 6.162 1.00 0.00 N ATOM 818 CA SER A 55 -5.019 -2.948 5.971 1.00 0.00 C ATOM 819 C SER A 55 -5.135 -1.499 6.431 1.00 0.00 C ATOM 820 O SER A 55 -5.662 -1.216 7.512 1.00 0.00 O ATOM 821 CB SER A 55 -6.030 -3.830 6.698 1.00 0.00 C ATOM 822 OG SER A 55 -5.923 -5.168 6.201 1.00 0.00 O ATOM 0 H SER A 55 -3.600 -4.189 6.875 1.00 0.00 H new ATOM 0 HA SER A 55 -5.238 -2.968 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.843 -3.811 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.040 -3.451 6.544 1.00 0.00 H new ATOM 0 HG SER A 55 -5.074 -5.559 6.495 1.00 0.00 H new ATOM 828 N LEU A 56 -4.693 -0.586 5.579 1.00 0.00 N ATOM 829 CA LEU A 56 -4.805 0.835 5.856 1.00 0.00 C ATOM 830 C LEU A 56 -6.274 1.192 5.939 1.00 0.00 C ATOM 831 O LEU A 56 -6.693 1.997 6.778 1.00 0.00 O ATOM 832 CB LEU A 56 -4.163 1.654 4.738 1.00 0.00 C ATOM 833 CG LEU A 56 -2.656 1.394 4.684 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.078 2.125 3.483 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.981 1.894 5.964 1.00 0.00 C ATOM 0 H LEU A 56 -4.252 -0.807 4.686 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.295 1.058 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.618 1.395 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.350 2.715 4.903 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.477 0.323 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.004 1.948 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.550 1.757 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.266 3.194 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.910 1.701 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.152 2.965 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.400 1.372 6.824 1.00 0.00 H new ATOM 847 N GLY A 57 -7.048 0.607 5.040 1.00 0.00 N ATOM 848 CA GLY A 57 -8.475 0.851 4.994 1.00 0.00 C ATOM 849 C GLY A 57 -8.795 1.986 4.058 1.00 0.00 C ATOM 850 O GLY A 57 -8.104 2.184 3.052 1.00 0.00 O ATOM 0 H GLY A 57 -6.708 -0.042 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.992 -0.051 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.841 1.085 5.994 1.00 0.00 H new ATOM 854 N TYR A 58 -9.856 2.715 4.359 1.00 0.00 N ATOM 855 CA TYR A 58 -10.254 3.829 3.521 1.00 0.00 C ATOM 856 C TYR A 58 -9.591 5.086 4.035 1.00 0.00 C ATOM 857 O TYR A 58 -9.488 5.286 5.256 1.00 0.00 O ATOM 858 CB TYR A 58 -11.783 4.045 3.525 1.00 0.00 C ATOM 859 CG TYR A 58 -12.526 2.815 4.021 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.178 1.532 3.569 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.566 2.966 4.945 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.875 0.415 4.040 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.261 1.847 5.412 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.915 0.574 4.960 1.00 0.00 C ATOM 865 OH TYR A 58 -14.603 -0.527 5.416 1.00 0.00 O ATOM 0 H TYR A 58 -10.452 2.556 5.171 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.947 3.604 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.028 4.898 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.118 4.290 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.374 1.408 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.833 3.951 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.609 -0.572 3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -15.065 1.968 6.122 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.293 -0.242 6.051 1.00 0.00 H new ATOM 875 N PHE A 59 -9.170 5.937 3.135 1.00 0.00 N ATOM 876 CA PHE A 59 -8.569 7.206 3.504 1.00 0.00 C ATOM 877 C PHE A 59 -8.861 8.264 2.468 1.00 0.00 C ATOM 878 O PHE A 59 -9.094 7.946 1.305 1.00 0.00 O ATOM 879 CB PHE A 59 -7.057 7.047 3.729 1.00 0.00 C ATOM 880 CG PHE A 59 -6.401 6.466 2.495 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.962 7.308 1.469 1.00 0.00 C ATOM 882 CD2 PHE A 59 -6.229 5.079 2.384 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.347 6.765 0.336 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.618 4.538 1.254 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.175 5.377 0.228 1.00 0.00 C ATOM 0 H PHE A 59 -9.231 5.777 2.129 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.014 7.533 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.614 8.015 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.876 6.397 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.097 8.376 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.571 4.428 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.004 7.415 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.487 3.469 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.701 4.957 -0.647 1.00 0.00 H new ATOM 895 N GLY A 60 -8.898 9.514 2.897 1.00 0.00 N ATOM 896 CA GLY A 60 -9.204 10.615 2.004 1.00 0.00 C ATOM 897 C GLY A 60 -7.981 11.030 1.217 1.00 0.00 C ATOM 898 O GLY A 60 -6.852 10.650 1.551 1.00 0.00 O ATOM 0 H GLY A 60 -8.719 9.791 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.000 10.322 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.575 11.463 2.580 1.00 0.00 H new ATOM 902 N ARG A 61 -8.195 11.845 0.208 1.00 0.00 N ATOM 903 CA ARG A 61 -7.121 12.324 -0.624 1.00 0.00 C ATOM 904 C ARG A 61 -6.325 13.377 0.122 1.00 0.00 C ATOM 905 O ARG A 61 -6.896 14.244 0.793 1.00 0.00 O ATOM 906 CB ARG A 61 -7.704 12.928 -1.907 1.00 0.00 C ATOM 907 CG ARG A 61 -8.462 11.843 -2.688 1.00 0.00 C ATOM 908 CD ARG A 61 -9.164 12.471 -3.897 1.00 0.00 C ATOM 909 NE ARG A 61 -8.192 12.985 -4.869 1.00 0.00 N ATOM 910 CZ ARG A 61 -7.742 12.242 -5.888 1.00 0.00 C ATOM 911 NH1 ARG A 61 -8.208 11.037 -6.073 1.00 0.00 N ATOM 912 NH2 ARG A 61 -6.855 12.738 -6.712 1.00 0.00 N ATOM 0 H ARG A 61 -9.117 12.192 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.462 11.494 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.376 13.750 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.905 13.342 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.770 11.069 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.194 11.360 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.803 11.729 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.812 13.282 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.848 13.940 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.915 10.661 -5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.865 10.471 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.509 13.688 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.510 12.175 -7.489 1.00 0.00 H new ATOM 926 N GLY A 62 -5.032 13.341 -0.049 1.00 0.00 N ATOM 927 CA GLY A 62 -4.145 14.328 0.525 1.00 0.00 C ATOM 928 C GLY A 62 -3.510 13.846 1.817 1.00 0.00 C ATOM 929 O GLY A 62 -2.399 14.266 2.160 1.00 0.00 O ATOM 0 H GLY A 62 -4.556 12.622 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.362 14.572 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.701 15.246 0.716 1.00 0.00 H new ATOM 933 N LYS A 63 -4.220 12.988 2.539 1.00 0.00 N ATOM 934 CA LYS A 63 -3.755 12.493 3.836 1.00 0.00 C ATOM 935 C LYS A 63 -2.473 11.676 3.727 1.00 0.00 C ATOM 936 O LYS A 63 -1.596 11.772 4.587 1.00 0.00 O ATOM 937 CB LYS A 63 -4.857 11.691 4.541 1.00 0.00 C ATOM 938 CG LYS A 63 -5.560 12.594 5.570 1.00 0.00 C ATOM 939 CD LYS A 63 -6.360 13.700 4.851 1.00 0.00 C ATOM 940 CE LYS A 63 -6.078 15.067 5.506 1.00 0.00 C ATOM 941 NZ LYS A 63 -5.935 14.903 6.978 1.00 0.00 N ATOM 0 H LYS A 63 -5.125 12.617 2.250 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.519 13.368 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.578 11.321 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.429 10.820 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.228 11.998 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.822 13.043 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.087 13.730 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.426 13.478 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.168 15.499 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.890 15.760 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.216 15.784 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.545 14.125 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.945 14.685 7.208 1.00 0.00 H new ATOM 955 N MET A 64 -2.388 10.854 2.706 1.00 0.00 N ATOM 956 CA MET A 64 -1.229 9.985 2.515 1.00 0.00 C ATOM 957 C MET A 64 -0.100 10.781 1.877 1.00 0.00 C ATOM 958 O MET A 64 -0.347 11.830 1.260 1.00 0.00 O ATOM 959 CB MET A 64 -1.592 8.805 1.601 1.00 0.00 C ATOM 960 CG MET A 64 -3.033 8.359 1.860 1.00 0.00 C ATOM 961 SD MET A 64 -3.178 7.654 3.518 1.00 0.00 S ATOM 962 CE MET A 64 -3.133 5.916 3.016 1.00 0.00 C ATOM 0 H MET A 64 -3.106 10.762 1.988 1.00 0.00 H new ATOM 0 HA MET A 64 -0.913 9.601 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.476 9.095 0.557 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.909 7.974 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.709 9.208 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.333 7.621 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.897 5.360 3.560 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.323 5.841 1.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.152 5.498 3.240 1.00 0.00 H new ATOM 972 N VAL A 65 1.129 10.290 1.984 1.00 0.00 N ATOM 973 CA VAL A 65 2.223 10.982 1.330 1.00 0.00 C ATOM 974 C VAL A 65 1.983 10.956 -0.175 1.00 0.00 C ATOM 975 O VAL A 65 1.459 9.973 -0.716 1.00 0.00 O ATOM 976 CB VAL A 65 3.594 10.381 1.700 1.00 0.00 C ATOM 977 CG1 VAL A 65 3.745 10.343 3.224 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.723 8.965 1.145 1.00 0.00 C ATOM 0 H VAL A 65 1.384 9.447 2.498 1.00 0.00 H new ATOM 0 HA VAL A 65 2.249 12.015 1.677 1.00 0.00 H new ATOM 0 HB VAL A 65 4.376 11.004 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.715 9.918 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.675 11.355 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.953 9.729 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.696 8.556 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.936 8.337 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.628 8.990 0.059 1.00 0.00 H new ATOM 988 N LYS A 66 2.209 12.078 -0.806 1.00 0.00 N ATOM 989 CA LYS A 66 1.849 12.254 -2.205 1.00 0.00 C ATOM 990 C LYS A 66 2.257 11.055 -3.070 1.00 0.00 C ATOM 991 O LYS A 66 1.446 10.556 -3.857 1.00 0.00 O ATOM 992 CB LYS A 66 2.400 13.575 -2.754 1.00 0.00 C ATOM 993 CG LYS A 66 1.323 14.678 -2.621 1.00 0.00 C ATOM 994 CD LYS A 66 1.138 15.094 -1.137 1.00 0.00 C ATOM 995 CE LYS A 66 -0.368 15.197 -0.782 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.743 14.136 0.201 1.00 0.00 N ATOM 0 H LYS A 66 2.644 12.895 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 66 0.761 12.305 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.299 13.862 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.687 13.456 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.611 15.547 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.376 14.318 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.621 14.365 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.625 16.053 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.584 16.181 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.969 15.094 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.403 13.467 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.112 13.628 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.199 14.574 1.027 1.00 0.00 H new ATOM 1010 N PRO A 67 3.473 10.568 -2.935 1.00 0.00 N ATOM 1011 CA PRO A 67 3.921 9.373 -3.722 1.00 0.00 C ATOM 1012 C PRO A 67 2.995 8.188 -3.479 1.00 0.00 C ATOM 1013 O PRO A 67 2.622 7.465 -4.406 1.00 0.00 O ATOM 1014 CB PRO A 67 5.311 9.072 -3.153 1.00 0.00 C ATOM 1015 CG PRO A 67 5.791 10.378 -2.623 1.00 0.00 C ATOM 1016 CD PRO A 67 4.556 11.084 -2.077 1.00 0.00 C ATOM 0 HA PRO A 67 3.920 9.554 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.263 8.319 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.980 8.687 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.536 10.232 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.264 10.968 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.387 10.847 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.646 12.168 -2.148 1.00 0.00 H new ATOM 1024 N PHE A 68 2.592 8.029 -2.227 1.00 0.00 N ATOM 1025 CA PHE A 68 1.684 6.962 -1.849 1.00 0.00 C ATOM 1026 C PHE A 68 0.380 7.120 -2.594 1.00 0.00 C ATOM 1027 O PHE A 68 -0.126 6.169 -3.191 1.00 0.00 O ATOM 1028 CB PHE A 68 1.429 6.990 -0.343 1.00 0.00 C ATOM 1029 CG PHE A 68 0.613 5.796 0.053 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.787 5.859 0.042 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.257 4.620 0.438 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.534 4.741 0.417 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.515 3.513 0.812 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.881 3.565 0.801 1.00 0.00 C ATOM 0 H PHE A 68 2.882 8.629 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 68 2.136 6.004 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.376 6.990 0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.906 7.907 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.286 6.769 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.336 4.573 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.613 4.784 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.017 2.606 1.113 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.456 2.697 1.089 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.133 8.342 -2.606 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.367 8.636 -3.319 1.00 0.00 C ATOM 1046 C GLU A 69 -1.157 8.425 -4.800 1.00 0.00 C ATOM 1047 O GLU A 69 -2.041 7.936 -5.511 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.781 10.083 -3.097 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.176 10.315 -1.648 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.642 11.735 -1.492 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.813 12.588 -1.272 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.817 11.961 -1.623 1.00 0.00 O ATOM 0 H GLU A 69 0.284 9.143 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.146 7.972 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.959 10.746 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.617 10.331 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.968 9.624 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.328 10.122 -0.991 1.00 0.00 H new ATOM 1059 N ASP A 70 0.021 8.808 -5.259 1.00 0.00 N ATOM 1060 CA ASP A 70 0.354 8.721 -6.665 1.00 0.00 C ATOM 1061 C ASP A 70 0.159 7.294 -7.128 1.00 0.00 C ATOM 1062 O ASP A 70 -0.573 7.030 -8.087 1.00 0.00 O ATOM 1063 CB ASP A 70 1.817 9.149 -6.870 1.00 0.00 C ATOM 1064 CG ASP A 70 2.112 9.389 -8.329 1.00 0.00 C ATOM 1065 OD1 ASP A 70 1.395 10.152 -8.936 1.00 0.00 O ATOM 1066 OD2 ASP A 70 3.072 8.842 -8.814 1.00 0.00 O ATOM 0 H ASP A 70 0.766 9.184 -4.672 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.292 9.380 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.017 10.057 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.483 8.377 -6.483 1.00 0.00 H new ATOM 1071 N ALA A 71 0.704 6.372 -6.365 1.00 0.00 N ATOM 1072 CA ALA A 71 0.499 4.956 -6.624 1.00 0.00 C ATOM 1073 C ALA A 71 -0.931 4.525 -6.292 1.00 0.00 C ATOM 1074 O ALA A 71 -1.507 3.672 -6.975 1.00 0.00 O ATOM 1075 CB ALA A 71 1.485 4.124 -5.817 1.00 0.00 C ATOM 0 H ALA A 71 1.294 6.574 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 71 0.667 4.789 -7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.320 3.066 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.503 4.393 -6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.339 4.316 -4.754 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.462 5.043 -5.189 1.00 0.00 N ATOM 1082 CA ALA A 72 -2.770 4.614 -4.689 1.00 0.00 C ATOM 1083 C ALA A 72 -3.876 4.899 -5.686 1.00 0.00 C ATOM 1084 O ALA A 72 -4.816 4.119 -5.823 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.091 5.287 -3.352 1.00 0.00 C ATOM 0 H ALA A 72 -1.009 5.760 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.716 3.535 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.067 4.952 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.331 5.020 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.104 6.369 -3.483 1.00 0.00 H new ATOM 1091 N PHE A 73 -3.805 6.039 -6.332 1.00 0.00 N ATOM 1092 CA PHE A 73 -4.838 6.410 -7.283 1.00 0.00 C ATOM 1093 C PHE A 73 -4.826 5.473 -8.490 1.00 0.00 C ATOM 1094 O PHE A 73 -5.854 5.274 -9.142 1.00 0.00 O ATOM 1095 CB PHE A 73 -4.689 7.866 -7.747 1.00 0.00 C ATOM 1096 CG PHE A 73 -4.950 8.819 -6.594 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -6.068 8.649 -5.766 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -4.068 9.881 -6.362 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -6.295 9.536 -4.708 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -4.300 10.766 -5.306 1.00 0.00 C ATOM 1101 CZ PHE A 73 -5.412 10.595 -4.479 1.00 0.00 C ATOM 0 H PHE A 73 -3.055 6.721 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.795 6.317 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.686 8.028 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.387 8.069 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.754 7.834 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.207 10.016 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.154 9.402 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.618 11.584 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.590 11.280 -3.663 1.00 0.00 H new ATOM 1111 N ARG A 74 -3.638 5.017 -8.870 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.477 4.209 -10.085 1.00 0.00 C ATOM 1113 C ARG A 74 -4.241 2.884 -10.027 1.00 0.00 C ATOM 1114 O ARG A 74 -4.806 2.456 -11.031 1.00 0.00 O ATOM 1115 CB ARG A 74 -1.998 3.906 -10.331 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.245 5.165 -10.779 1.00 0.00 C ATOM 1117 CD ARG A 74 0.237 4.811 -10.911 1.00 0.00 C ATOM 1118 NE ARG A 74 0.413 3.740 -11.901 1.00 0.00 N ATOM 1119 CZ ARG A 74 1.295 2.743 -11.719 1.00 0.00 C ATOM 1120 NH1 ARG A 74 2.032 2.720 -10.650 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.416 1.802 -12.614 1.00 0.00 N ATOM 0 H ARG A 74 -2.772 5.189 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.891 4.803 -10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.547 3.514 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.904 3.132 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.637 5.524 -11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.381 5.968 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.804 5.692 -11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.631 4.493 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.151 3.754 -12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.940 3.458 -9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.702 1.964 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.840 1.821 -13.456 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.087 1.047 -12.472 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.154 2.187 -8.905 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.738 0.839 -8.805 1.00 0.00 C ATOM 1137 C LEU A 75 -6.113 0.829 -8.161 1.00 0.00 C ATOM 1138 O LEU A 75 -6.499 -0.154 -7.516 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.795 -0.150 -8.095 1.00 0.00 C ATOM 1140 CG LEU A 75 -3.814 0.021 -6.554 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.525 -0.527 -5.968 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.966 1.485 -6.136 1.00 0.00 C ATOM 0 H LEU A 75 -3.694 2.517 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.868 0.503 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.084 -1.170 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.779 -0.006 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.676 -0.528 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.538 -0.407 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.434 -1.585 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.676 0.017 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.974 1.554 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.131 2.064 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.901 1.881 -6.532 1.00 0.00 H new ATOM 1154 N GLN A 76 -6.891 1.864 -8.403 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.238 1.899 -7.862 1.00 0.00 C ATOM 1156 C GLN A 76 -9.022 0.667 -8.302 1.00 0.00 C ATOM 1157 O GLN A 76 -9.979 0.258 -7.644 1.00 0.00 O ATOM 1158 CB GLN A 76 -8.965 3.185 -8.248 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.360 4.369 -7.486 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.063 5.652 -7.892 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.122 5.969 -7.358 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.542 6.407 -8.803 1.00 0.00 N ATOM 0 H GLN A 76 -6.624 2.677 -8.958 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.164 1.887 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.884 3.352 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.027 3.097 -8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.460 4.212 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.294 4.444 -7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.662 6.140 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.011 7.269 -9.080 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.562 0.050 -9.373 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.141 -1.178 -9.884 1.00 0.00 C ATOM 1173 C VAL A 77 -9.066 -2.319 -8.850 1.00 0.00 C ATOM 1174 O VAL A 77 -9.920 -3.213 -8.846 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.429 -1.575 -11.196 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.917 -1.736 -10.952 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.000 -2.898 -11.728 1.00 0.00 C ATOM 0 H VAL A 77 -7.769 0.389 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.198 -1.003 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.595 -0.787 -11.931 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.426 -2.016 -11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.504 -0.793 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.750 -2.513 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.491 -3.168 -12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.849 -3.684 -10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.066 -2.782 -11.921 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.045 -2.293 -7.985 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.871 -3.347 -6.974 1.00 0.00 C ATOM 1189 C GLY A 78 -6.526 -4.046 -7.115 1.00 0.00 C ATOM 1190 O GLY A 78 -6.165 -4.918 -6.300 1.00 0.00 O ATOM 0 H GLY A 78 -7.333 -1.563 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.953 -2.913 -5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.673 -4.079 -7.069 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.798 -3.666 -8.145 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.508 -4.250 -8.452 1.00 0.00 C ATOM 1196 C GLU A 79 -3.496 -3.941 -7.347 1.00 0.00 C ATOM 1197 O GLU A 79 -3.710 -3.047 -6.528 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.048 -3.717 -9.840 1.00 0.00 C ATOM 1199 CG GLU A 79 -2.525 -3.655 -9.966 1.00 0.00 C ATOM 1200 CD GLU A 79 -1.955 -5.015 -10.319 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.757 -5.804 -9.428 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.724 -5.253 -11.480 1.00 0.00 O ATOM 0 H GLU A 79 -6.087 -2.938 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.584 -5.336 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.449 -4.360 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.464 -2.722 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.249 -2.931 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.092 -3.307 -9.028 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.372 -4.637 -7.380 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.266 -4.379 -6.485 1.00 0.00 C ATOM 1211 C VAL A 80 -0.304 -3.431 -7.185 1.00 0.00 C ATOM 1212 O VAL A 80 0.085 -3.669 -8.329 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.533 -5.691 -6.152 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.457 -5.468 -5.004 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.533 -6.778 -5.758 1.00 0.00 C ATOM 0 H VAL A 80 -2.204 -5.401 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.635 -3.941 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 80 0.011 -6.013 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.969 -6.403 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.189 -4.715 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.082 -5.127 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.997 -7.698 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.095 -6.455 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.220 -6.957 -6.585 1.00 0.00 H new ATOM 1225 N SER A 81 0.059 -2.368 -6.525 1.00 0.00 N ATOM 1226 CA SER A 81 0.948 -1.386 -7.108 1.00 0.00 C ATOM 1227 C SER A 81 2.379 -1.894 -7.171 1.00 0.00 C ATOM 1228 O SER A 81 2.759 -2.804 -6.425 1.00 0.00 O ATOM 1229 CB SER A 81 0.884 -0.093 -6.297 1.00 0.00 C ATOM 1230 OG SER A 81 0.972 -0.414 -4.912 1.00 0.00 O ATOM 0 H SER A 81 -0.246 -2.153 -5.576 1.00 0.00 H new ATOM 0 HA SER A 81 0.621 -1.195 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.699 0.572 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.046 0.436 -6.503 1.00 0.00 H new ATOM 0 HG SER A 81 0.093 -0.697 -4.585 1.00 0.00 H new ATOM 1236 N GLU A 82 3.189 -1.249 -8.002 1.00 0.00 N ATOM 1237 CA GLU A 82 4.603 -1.538 -8.044 1.00 0.00 C ATOM 1238 C GLU A 82 5.257 -0.818 -6.871 1.00 0.00 C ATOM 1239 O GLU A 82 4.571 -0.144 -6.109 1.00 0.00 O ATOM 1240 CB GLU A 82 5.208 -1.062 -9.380 1.00 0.00 C ATOM 1241 CG GLU A 82 4.226 -1.356 -10.529 1.00 0.00 C ATOM 1242 CD GLU A 82 3.406 -0.127 -10.877 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.181 0.680 -10.004 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.012 0.001 -12.014 1.00 0.00 O ATOM 0 H GLU A 82 2.884 -0.525 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 82 4.776 -2.612 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.420 0.006 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.157 -1.567 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.779 -1.688 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.561 -2.171 -10.243 1.00 0.00 H new ATOM 1251 N PRO A 83 6.544 -0.927 -6.703 1.00 0.00 N ATOM 1252 CA PRO A 83 7.206 -0.237 -5.561 1.00 0.00 C ATOM 1253 C PRO A 83 6.943 1.267 -5.611 1.00 0.00 C ATOM 1254 O PRO A 83 7.089 1.898 -6.666 1.00 0.00 O ATOM 1255 CB PRO A 83 8.691 -0.530 -5.778 1.00 0.00 C ATOM 1256 CG PRO A 83 8.730 -1.827 -6.529 1.00 0.00 C ATOM 1257 CD PRO A 83 7.428 -1.917 -7.339 1.00 0.00 C ATOM 0 HA PRO A 83 6.841 -0.576 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.171 0.268 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.220 -0.609 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.597 -1.865 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.815 -2.668 -5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.595 -1.685 -8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.001 -2.919 -7.298 1.00 0.00 H new ATOM 1265 N VAL A 84 6.577 1.826 -4.476 1.00 0.00 N ATOM 1266 CA VAL A 84 6.276 3.239 -4.362 1.00 0.00 C ATOM 1267 C VAL A 84 7.343 3.923 -3.523 1.00 0.00 C ATOM 1268 O VAL A 84 7.324 3.822 -2.302 1.00 0.00 O ATOM 1269 CB VAL A 84 4.906 3.402 -3.684 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.504 4.881 -3.608 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.846 2.611 -4.461 1.00 0.00 C ATOM 0 H VAL A 84 6.479 1.310 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 84 6.256 3.693 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 84 4.976 3.015 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.531 4.969 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.247 5.431 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.447 5.295 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.877 2.729 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.789 2.985 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.118 1.556 -4.476 1.00 0.00 H new ATOM 1281 N LYS A 85 8.249 4.629 -4.176 1.00 0.00 N ATOM 1282 CA LYS A 85 9.295 5.355 -3.472 1.00 0.00 C ATOM 1283 C LYS A 85 8.697 6.544 -2.738 1.00 0.00 C ATOM 1284 O LYS A 85 7.848 7.253 -3.291 1.00 0.00 O ATOM 1285 CB LYS A 85 10.370 5.836 -4.459 1.00 0.00 C ATOM 1286 CG LYS A 85 11.719 6.007 -3.736 1.00 0.00 C ATOM 1287 CD LYS A 85 11.825 7.424 -3.131 1.00 0.00 C ATOM 1288 CE LYS A 85 13.278 7.711 -2.705 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.041 6.442 -2.615 1.00 0.00 N ATOM 0 H LYS A 85 8.283 4.716 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 85 9.759 4.685 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.474 5.118 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.066 6.783 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.815 5.260 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.538 5.840 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.499 8.165 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.162 7.511 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.751 8.379 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.289 8.221 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.933 6.609 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.478 5.734 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.248 6.093 -3.572 1.00 0.00 H new ATOM 1303 N SER A 86 9.105 6.732 -1.498 1.00 0.00 N ATOM 1304 CA SER A 86 8.592 7.802 -0.670 1.00 0.00 C ATOM 1305 C SER A 86 9.683 8.295 0.252 1.00 0.00 C ATOM 1306 O SER A 86 10.714 7.627 0.418 1.00 0.00 O ATOM 1307 CB SER A 86 7.448 7.272 0.189 1.00 0.00 C ATOM 1308 OG SER A 86 7.997 6.426 1.203 1.00 0.00 O ATOM 0 H SER A 86 9.802 6.146 -1.038 1.00 0.00 H new ATOM 0 HA SER A 86 8.244 8.612 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.899 8.098 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.739 6.717 -0.425 1.00 0.00 H new ATOM 0 HG SER A 86 8.112 5.520 0.847 1.00 0.00 H new ATOM 1314 N GLU A 87 9.398 9.366 0.964 1.00 0.00 N ATOM 1315 CA GLU A 87 10.295 9.826 2.009 1.00 0.00 C ATOM 1316 C GLU A 87 10.445 8.699 3.029 1.00 0.00 C ATOM 1317 O GLU A 87 11.529 8.455 3.562 1.00 0.00 O ATOM 1318 CB GLU A 87 9.726 11.082 2.714 1.00 0.00 C ATOM 1319 CG GLU A 87 8.225 11.267 2.391 1.00 0.00 C ATOM 1320 CD GLU A 87 8.045 11.805 0.983 1.00 0.00 C ATOM 1321 OE1 GLU A 87 8.528 12.878 0.711 1.00 0.00 O ATOM 1322 OE2 GLU A 87 7.427 11.136 0.193 1.00 0.00 O ATOM 0 H GLU A 87 8.559 9.932 0.841 1.00 0.00 H new ATOM 0 HA GLU A 87 11.258 10.090 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.861 10.991 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.281 11.965 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.706 10.314 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.775 11.953 3.109 1.00 0.00 H new ATOM 1329 N PHE A 88 9.343 8.007 3.265 1.00 0.00 N ATOM 1330 CA PHE A 88 9.304 6.863 4.169 1.00 0.00 C ATOM 1331 C PHE A 88 10.148 5.704 3.656 1.00 0.00 C ATOM 1332 O PHE A 88 10.809 5.012 4.435 1.00 0.00 O ATOM 1333 CB PHE A 88 7.855 6.394 4.351 1.00 0.00 C ATOM 1334 CG PHE A 88 7.144 7.285 5.345 1.00 0.00 C ATOM 1335 CD1 PHE A 88 6.692 8.552 4.957 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.936 6.840 6.656 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.036 9.372 5.881 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.279 7.663 7.579 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.828 8.927 7.191 1.00 0.00 C ATOM 0 H PHE A 88 8.444 8.222 2.834 1.00 0.00 H new ATOM 0 HA PHE A 88 9.719 7.185 5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.334 6.415 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.839 5.361 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.850 8.896 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.282 5.862 6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.689 10.350 5.583 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.121 7.321 8.591 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.319 9.561 7.902 1.00 0.00 H new ATOM 1349 N GLY A 89 10.038 5.424 2.374 1.00 0.00 N ATOM 1350 CA GLY A 89 10.700 4.261 1.782 1.00 0.00 C ATOM 1351 C GLY A 89 9.916 3.779 0.585 1.00 0.00 C ATOM 1352 O GLY A 89 9.166 4.550 -0.012 1.00 0.00 O ATOM 0 H GLY A 89 9.497 5.982 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.715 4.523 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.781 3.463 2.520 1.00 0.00 H new ATOM 1356 N TYR A 90 10.001 2.490 0.290 1.00 0.00 N ATOM 1357 CA TYR A 90 9.218 1.935 -0.795 1.00 0.00 C ATOM 1358 C TYR A 90 7.982 1.266 -0.260 1.00 0.00 C ATOM 1359 O TYR A 90 8.065 0.396 0.603 1.00 0.00 O ATOM 1360 CB TYR A 90 10.032 0.924 -1.610 1.00 0.00 C ATOM 1361 CG TYR A 90 11.035 1.641 -2.473 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.650 2.098 -3.735 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.343 1.853 -2.019 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.565 2.761 -4.547 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.263 2.519 -2.834 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.870 2.974 -4.102 1.00 0.00 C ATOM 1367 OH TYR A 90 13.767 3.629 -4.920 1.00 0.00 O ATOM 0 H TYR A 90 10.595 1.821 0.780 1.00 0.00 H new ATOM 0 HA TYR A 90 8.933 2.759 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.545 0.234 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.366 0.327 -2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.640 1.937 -4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.640 1.503 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.264 3.111 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.273 2.683 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 90 14.633 3.699 -4.466 1.00 0.00 H new ATOM 1377 N HIS A 91 6.841 1.618 -0.821 1.00 0.00 N ATOM 1378 CA HIS A 91 5.592 0.998 -0.433 1.00 0.00 C ATOM 1379 C HIS A 91 5.052 0.161 -1.564 1.00 0.00 C ATOM 1380 O HIS A 91 5.122 0.565 -2.715 1.00 0.00 O ATOM 1381 CB HIS A 91 4.521 2.046 -0.071 1.00 0.00 C ATOM 1382 CG HIS A 91 5.068 3.093 0.849 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.540 3.307 2.106 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.074 4.011 0.706 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.217 4.318 2.668 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.162 4.783 1.855 1.00 0.00 N ATOM 0 H HIS A 91 6.755 2.330 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 91 5.804 0.382 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.149 2.518 -0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.672 1.552 0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.702 4.117 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.020 4.706 3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.814 5.546 2.038 1.00 0.00 H new ATOM 1394 N VAL A 92 4.358 -0.890 -1.216 1.00 0.00 N ATOM 1395 CA VAL A 92 3.558 -1.626 -2.169 1.00 0.00 C ATOM 1396 C VAL A 92 2.134 -1.516 -1.712 1.00 0.00 C ATOM 1397 O VAL A 92 1.856 -1.682 -0.524 1.00 0.00 O ATOM 1398 CB VAL A 92 3.985 -3.089 -2.234 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.142 -3.830 -3.282 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.457 -3.165 -2.616 1.00 0.00 C ATOM 0 H VAL A 92 4.329 -1.262 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 92 3.684 -1.216 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 92 3.834 -3.555 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.451 -4.875 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.089 -3.774 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.288 -3.368 -4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.767 -4.209 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.605 -2.698 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.054 -2.643 -1.868 1.00 0.00 H new ATOM 1410 N ILE A 93 1.262 -1.119 -2.591 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.099 -0.858 -2.213 1.00 0.00 C ATOM 1412 C ILE A 93 -1.021 -1.765 -2.972 1.00 0.00 C ATOM 1413 O ILE A 93 -0.998 -1.768 -4.195 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.453 0.609 -2.532 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.471 1.541 -1.750 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.905 0.901 -2.131 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.278 2.973 -2.252 1.00 0.00 C ATOM 0 H ILE A 93 1.468 -0.968 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.212 -1.038 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.331 0.774 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.250 1.483 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.509 1.235 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.144 1.939 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.575 0.243 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.029 0.728 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.934 3.644 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.521 3.022 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.759 3.274 -2.102 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.921 -2.419 -2.270 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.006 -3.117 -2.927 1.00 0.00 C ATOM 1431 C LYS A 94 -4.293 -2.463 -2.525 1.00 0.00 C ATOM 1432 O LYS A 94 -4.424 -1.994 -1.390 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.069 -4.614 -2.607 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.038 -5.258 -3.620 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.116 -6.771 -3.434 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.981 -7.366 -4.565 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.322 -6.713 -4.580 1.00 0.00 N ATOM 0 H LYS A 94 -1.924 -2.482 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.832 -3.049 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.079 -5.065 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.417 -4.775 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.031 -4.824 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.710 -5.031 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.117 -7.206 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.548 -7.010 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.487 -7.222 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.092 -8.441 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.990 -7.303 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.665 -6.602 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.248 -5.778 -5.030 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.224 -2.384 -3.435 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.465 -1.734 -3.130 1.00 0.00 C ATOM 1453 C ARG A 95 -7.363 -2.642 -2.320 1.00 0.00 C ATOM 1454 O ARG A 95 -7.442 -3.849 -2.570 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.193 -1.267 -4.378 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.536 0.218 -4.243 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.911 0.460 -4.841 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.943 -0.156 -4.008 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.180 -0.367 -4.463 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.466 -0.114 -5.715 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.084 -0.857 -3.669 1.00 0.00 N ATOM 0 H ARG A 95 -5.148 -2.757 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.219 -0.851 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.570 -1.429 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.103 -1.850 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.523 0.514 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.790 0.826 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.094 1.531 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.954 0.048 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.711 -0.432 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.744 0.244 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.411 -0.275 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.847 -1.079 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.030 -1.020 -4.013 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.080 -2.034 -1.407 1.00 0.00 N ATOM 1476 CA LEU A 96 -9.042 -2.703 -0.575 1.00 0.00 C ATOM 1477 C LEU A 96 -10.412 -2.519 -1.203 1.00 0.00 C ATOM 1478 O LEU A 96 -10.722 -1.439 -1.722 1.00 0.00 O ATOM 1479 CB LEU A 96 -9.000 -2.096 0.839 1.00 0.00 C ATOM 1480 CG LEU A 96 -10.090 -2.699 1.727 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.791 -4.178 1.987 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -10.118 -1.952 3.062 1.00 0.00 C ATOM 0 H LEU A 96 -8.006 -1.034 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.819 -3.767 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.022 -2.274 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.131 -1.016 0.779 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.054 -2.608 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.571 -4.601 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.762 -4.715 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.827 -4.272 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.893 -2.377 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.150 -2.049 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.331 -0.898 2.885 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.156 -3.590 -1.302 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.432 -3.573 -1.991 1.00 0.00 C ATOM 1496 C GLY A 97 -13.426 -2.677 -1.283 1.00 0.00 C ATOM 1497 O GLY A 97 -13.844 -1.710 -1.869 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.763 -2.972 -0.161 1.00 0.00 O ATOM 0 H GLY A 97 -10.901 -4.497 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.291 -3.226 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.830 -4.586 -2.050 1.00 0.00 H new