USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 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 79 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.3) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 CYS SG : rot 110:sc= 0.663 USER MOD Set 2.2: A 28 CYS SG : rot 44:sc= 1.23 USER MOD Set 2.3: A 53 CYS SG : rot 129:sc= -1.2 USER MOD Set 2.4: A 58 CYS SG : rot 104:sc= 0.765 USER MOD Set 3.1: A 8 CYS SG : rot 156:sc= 0.248 USER MOD Set 3.2: A 11 CYS SG : rot -45:sc= 0.4 USER MOD Set 3.3: A 15 TYR OH : rot 169:sc= 0.211 USER MOD Set 3.4: A 31 CYS SG : rot -39:sc= 0.159 USER MOD Set 3.5: A 34 CYS SG : rot 82:sc= 1.22 USER MOD Single : A 6 SER OG : rot 169:sc= -3.52! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -5.72! C(o=-5.7!,f=-15!) USER MOD Single : A 20 MET CE :methyl -171:sc= -0.22 (180deg=-0.323) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 25 GLN : amide:sc= -0.564 K(o=-0.56,f=-4!) USER MOD Single : A 27 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.96) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 38 TYR OH : rot -168:sc= 1.13 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00368 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.5) USER MOD Single : A 67 ASN : amide:sc= -7.81! C(o=-7.8!,f=-15!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 165:sc= -1.87 (180deg=-2.21) USER MOD Single : A 78 MET CE :methyl 167:sc= -1.6 (180deg=-1.8) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.159 K(o=0.16,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.356 -15.609 -5.036 1.00 0.00 N ATOM 49 CA SER A 6 -10.054 -15.541 -5.690 1.00 0.00 C ATOM 50 C SER A 6 -8.968 -16.146 -4.805 1.00 0.00 C ATOM 51 O SER A 6 -7.925 -16.580 -5.293 1.00 0.00 O ATOM 52 CB SER A 6 -9.704 -14.090 -6.024 1.00 0.00 C ATOM 53 OG SER A 6 -8.888 -14.016 -7.181 1.00 0.00 O ATOM 0 HA SER A 6 -10.109 -16.117 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.619 -13.519 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.186 -13.634 -5.180 1.00 0.00 H new ATOM 0 HG SER A 6 -8.824 -13.084 -7.477 1.00 0.00 H new ATOM 59 N GLY A 7 -9.223 -16.173 -3.501 1.00 0.00 N ATOM 60 CA GLY A 7 -8.260 -16.727 -2.568 1.00 0.00 C ATOM 61 C GLY A 7 -7.074 -15.810 -2.347 1.00 0.00 C ATOM 62 O GLY A 7 -6.485 -15.302 -3.302 1.00 0.00 O ATOM 0 H GLY A 7 -10.080 -15.821 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.751 -16.917 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.908 -17.688 -2.942 1.00 0.00 H new ATOM 66 N CYS A 8 -6.721 -15.595 -1.084 1.00 0.00 N ATOM 67 CA CYS A 8 -5.598 -14.731 -0.738 1.00 0.00 C ATOM 68 C CYS A 8 -4.291 -15.518 -0.724 1.00 0.00 C ATOM 69 O CYS A 8 -4.293 -16.749 -0.726 1.00 0.00 O ATOM 70 CB CYS A 8 -5.829 -14.080 0.627 1.00 0.00 C ATOM 71 SG CYS A 8 -4.682 -12.717 1.005 1.00 0.00 S ATOM 0 H CYS A 8 -7.197 -16.008 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.525 -13.952 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.851 -13.703 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.738 -14.842 1.401 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.226 -11.921 1.877 1.00 0.00 H new ATOM 76 N LYS A 9 -3.174 -14.798 -0.710 1.00 0.00 N ATOM 77 CA LYS A 9 -1.858 -15.426 -0.694 1.00 0.00 C ATOM 78 C LYS A 9 -1.251 -15.383 0.704 1.00 0.00 C ATOM 79 O LYS A 9 -0.588 -16.327 1.134 1.00 0.00 O ATOM 80 CB LYS A 9 -0.926 -14.730 -1.689 1.00 0.00 C ATOM 81 CG LYS A 9 -1.487 -14.653 -3.098 1.00 0.00 C ATOM 82 CD LYS A 9 -1.475 -16.012 -3.778 1.00 0.00 C ATOM 83 CE LYS A 9 -0.057 -16.481 -4.059 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.035 -17.692 -4.927 1.00 0.00 N ATOM 0 H LYS A 9 -3.154 -13.778 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.977 -16.469 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.718 -13.720 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.026 -15.261 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.507 -14.271 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.901 -13.946 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.982 -16.741 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.033 -15.957 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.502 -15.679 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.447 -16.700 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.950 -17.981 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.547 -18.466 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.493 -17.476 -5.836 1.00 0.00 H new ATOM 98 N LEU A 10 -1.483 -14.282 1.410 1.00 0.00 N ATOM 99 CA LEU A 10 -0.961 -14.115 2.762 1.00 0.00 C ATOM 100 C LEU A 10 -1.707 -15.009 3.749 1.00 0.00 C ATOM 101 O LEU A 10 -1.188 -16.034 4.189 1.00 0.00 O ATOM 102 CB LEU A 10 -1.071 -12.653 3.197 1.00 0.00 C ATOM 103 CG LEU A 10 -0.295 -11.642 2.354 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.577 -10.224 2.827 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.197 -11.936 2.406 1.00 0.00 C ATOM 0 H LEU A 10 -2.029 -13.491 1.069 1.00 0.00 H new ATOM 0 HA LEU A 10 0.089 -14.407 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.124 -12.371 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.728 -12.575 4.229 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.626 -11.731 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.016 -9.518 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.643 -10.015 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.275 -10.121 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.733 -11.206 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.544 -11.876 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.384 -12.937 2.018 1.00 0.00 H new ATOM 117 N CYS A 11 -2.929 -14.613 4.089 1.00 0.00 N ATOM 118 CA CYS A 11 -3.749 -15.378 5.022 1.00 0.00 C ATOM 119 C CYS A 11 -4.257 -16.661 4.372 1.00 0.00 C ATOM 120 O CYS A 11 -4.565 -17.637 5.057 1.00 0.00 O ATOM 121 CB CYS A 11 -4.930 -14.534 5.506 1.00 0.00 C ATOM 122 SG CYS A 11 -6.047 -13.987 4.174 1.00 0.00 S ATOM 0 H CYS A 11 -3.374 -13.767 3.733 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.129 -15.646 5.878 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.503 -15.112 6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.547 -13.657 6.028 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.345 -13.541 3.175 1.00 0.00 H new ATOM 127 N LEU A 12 -4.344 -16.652 3.047 1.00 0.00 N ATOM 128 CA LEU A 12 -4.815 -17.815 2.303 1.00 0.00 C ATOM 129 C LEU A 12 -6.249 -18.166 2.691 1.00 0.00 C ATOM 130 O LEU A 12 -6.583 -19.334 2.881 1.00 0.00 O ATOM 131 CB LEU A 12 -3.899 -19.014 2.556 1.00 0.00 C ATOM 132 CG LEU A 12 -2.397 -18.736 2.488 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.637 -19.680 3.408 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.895 -18.867 1.057 1.00 0.00 C ATOM 0 H LEU A 12 -4.095 -15.852 2.465 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.795 -17.568 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.129 -19.420 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.138 -19.789 1.828 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.221 -17.714 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.570 -19.467 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.976 -19.539 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.820 -20.710 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.824 -18.666 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.084 -19.878 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.416 -18.151 0.422 1.00 0.00 H new ATOM 146 N GLY A 13 -7.092 -17.144 2.803 1.00 0.00 N ATOM 147 CA GLY A 13 -8.480 -17.364 3.166 1.00 0.00 C ATOM 148 C GLY A 13 -9.421 -17.184 1.991 1.00 0.00 C ATOM 149 O GLY A 13 -9.202 -16.325 1.139 1.00 0.00 O ATOM 0 H GLY A 13 -6.839 -16.168 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.592 -18.371 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.759 -16.672 3.961 1.00 0.00 H new ATOM 153 N GLU A 14 -10.472 -17.996 1.947 1.00 0.00 N ATOM 154 CA GLU A 14 -11.449 -17.923 0.867 1.00 0.00 C ATOM 155 C GLU A 14 -12.403 -16.749 1.075 1.00 0.00 C ATOM 156 O GLU A 14 -13.184 -16.732 2.026 1.00 0.00 O ATOM 157 CB GLU A 14 -12.241 -19.229 0.776 1.00 0.00 C ATOM 158 CG GLU A 14 -11.503 -20.339 0.046 1.00 0.00 C ATOM 159 CD GLU A 14 -12.232 -21.666 0.114 1.00 0.00 C ATOM 160 OE1 GLU A 14 -13.422 -21.709 -0.261 1.00 0.00 O ATOM 161 OE2 GLU A 14 -11.613 -22.662 0.543 1.00 0.00 O ATOM 0 H GLU A 14 -10.669 -18.712 2.646 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.909 -17.769 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.484 -19.567 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.186 -19.037 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.369 -20.056 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.508 -20.453 0.476 1.00 0.00 H new ATOM 168 N TYR A 15 -12.333 -15.772 0.178 1.00 0.00 N ATOM 169 CA TYR A 15 -13.187 -14.593 0.264 1.00 0.00 C ATOM 170 C TYR A 15 -13.767 -14.241 -1.103 1.00 0.00 C ATOM 171 O TYR A 15 -13.184 -14.530 -2.147 1.00 0.00 O ATOM 172 CB TYR A 15 -12.399 -13.405 0.818 1.00 0.00 C ATOM 173 CG TYR A 15 -11.563 -13.745 2.032 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.121 -14.405 3.120 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.217 -13.409 2.089 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.362 -14.716 4.232 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.450 -13.717 3.197 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.028 -14.371 4.265 1.00 0.00 C ATOM 179 OH TYR A 15 -9.268 -14.681 5.370 1.00 0.00 O ATOM 0 H TYR A 15 -11.694 -15.773 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.011 -14.820 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.747 -13.016 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.095 -12.608 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.165 -14.679 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.762 -12.898 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.812 -15.227 5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.405 -13.447 3.226 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.321 -14.530 5.169 1.00 0.00 H new ATOM 189 N PRO A 16 -14.946 -13.599 -1.096 1.00 0.00 N ATOM 190 CA PRO A 16 -15.631 -13.191 -2.325 1.00 0.00 C ATOM 191 C PRO A 16 -14.907 -12.058 -3.044 1.00 0.00 C ATOM 192 O PRO A 16 -14.388 -11.139 -2.412 1.00 0.00 O ATOM 193 CB PRO A 16 -17.000 -12.720 -1.828 1.00 0.00 C ATOM 194 CG PRO A 16 -16.768 -12.308 -0.415 1.00 0.00 C ATOM 195 CD PRO A 16 -15.697 -13.221 0.113 1.00 0.00 C ATOM 0 HA PRO A 16 -15.681 -14.002 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.374 -11.889 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.740 -13.518 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.454 -11.266 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.682 -12.398 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.061 -12.716 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.121 -14.092 0.612 1.00 0.00 H new ATOM 203 N VAL A 17 -14.876 -12.130 -4.371 1.00 0.00 N ATOM 204 CA VAL A 17 -14.216 -11.110 -5.178 1.00 0.00 C ATOM 205 C VAL A 17 -14.563 -9.709 -4.683 1.00 0.00 C ATOM 206 O VAL A 17 -13.799 -8.766 -4.877 1.00 0.00 O ATOM 207 CB VAL A 17 -14.606 -11.229 -6.663 1.00 0.00 C ATOM 208 CG1 VAL A 17 -13.992 -12.476 -7.278 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.120 -11.239 -6.816 1.00 0.00 C ATOM 0 H VAL A 17 -15.301 -12.885 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.143 -11.273 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.215 -10.361 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.279 -12.543 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.906 -12.423 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.350 -13.358 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.378 -11.324 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.535 -12.087 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.532 -10.313 -6.415 1.00 0.00 H new ATOM 219 N GLU A 18 -15.720 -9.585 -4.041 1.00 0.00 N ATOM 220 CA GLU A 18 -16.169 -8.299 -3.519 1.00 0.00 C ATOM 221 C GLU A 18 -15.143 -7.719 -2.548 1.00 0.00 C ATOM 222 O GLU A 18 -14.771 -6.550 -2.648 1.00 0.00 O ATOM 223 CB GLU A 18 -17.521 -8.450 -2.820 1.00 0.00 C ATOM 224 CG GLU A 18 -18.705 -8.423 -3.771 1.00 0.00 C ATOM 225 CD GLU A 18 -19.069 -9.802 -4.289 1.00 0.00 C ATOM 226 OE1 GLU A 18 -19.404 -10.676 -3.462 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.019 -10.006 -5.519 1.00 0.00 O ATOM 0 H GLU A 18 -16.363 -10.358 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.278 -7.613 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.532 -9.389 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.634 -7.649 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.566 -7.992 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.474 -7.771 -4.614 1.00 0.00 H new ATOM 234 N GLN A 19 -14.694 -8.545 -1.609 1.00 0.00 N ATOM 235 CA GLN A 19 -13.713 -8.115 -0.619 1.00 0.00 C ATOM 236 C GLN A 19 -12.294 -8.415 -1.091 1.00 0.00 C ATOM 237 O GLN A 19 -11.425 -8.766 -0.294 1.00 0.00 O ATOM 238 CB GLN A 19 -13.974 -8.804 0.721 1.00 0.00 C ATOM 239 CG GLN A 19 -15.193 -8.268 1.455 1.00 0.00 C ATOM 240 CD GLN A 19 -16.434 -8.244 0.584 1.00 0.00 C ATOM 241 OE1 GLN A 19 -16.629 -9.118 -0.262 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.280 -7.241 0.786 1.00 0.00 N ATOM 0 H GLN A 19 -14.993 -9.515 -1.513 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.813 -7.037 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.104 -9.873 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.097 -8.687 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.383 -8.883 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.984 -7.259 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.078 -6.539 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.132 -7.172 0.229 1.00 0.00 H new ATOM 251 N MET A 20 -12.067 -8.276 -2.394 1.00 0.00 N ATOM 252 CA MET A 20 -10.753 -8.532 -2.972 1.00 0.00 C ATOM 253 C MET A 20 -10.382 -7.448 -3.979 1.00 0.00 C ATOM 254 O MET A 20 -11.251 -6.755 -4.512 1.00 0.00 O ATOM 255 CB MET A 20 -10.729 -9.904 -3.650 1.00 0.00 C ATOM 256 CG MET A 20 -11.327 -11.012 -2.799 1.00 0.00 C ATOM 257 SD MET A 20 -10.165 -11.656 -1.580 1.00 0.00 S ATOM 258 CE MET A 20 -9.287 -12.872 -2.559 1.00 0.00 C ATOM 0 H MET A 20 -12.776 -7.988 -3.069 1.00 0.00 H new ATOM 0 HA MET A 20 -10.020 -8.520 -2.165 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.275 -9.845 -4.591 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.699 -10.161 -3.895 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.212 -10.634 -2.287 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.656 -11.825 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.645 -13.468 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.004 -13.524 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 20 -8.676 -12.365 -3.306 1.00 0.00 H new ATOM 268 N THR A 21 -9.086 -7.304 -4.235 1.00 0.00 N ATOM 269 CA THR A 21 -8.599 -6.303 -5.176 1.00 0.00 C ATOM 270 C THR A 21 -7.598 -6.908 -6.154 1.00 0.00 C ATOM 271 O THR A 21 -6.635 -7.561 -5.749 1.00 0.00 O ATOM 272 CB THR A 21 -7.935 -5.120 -4.446 1.00 0.00 C ATOM 273 OG1 THR A 21 -8.910 -4.418 -3.666 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.289 -4.166 -5.439 1.00 0.00 C ATOM 0 H THR A 21 -8.354 -7.868 -3.804 1.00 0.00 H new ATOM 0 HA THR A 21 -9.467 -5.939 -5.726 1.00 0.00 H new ATOM 0 HB THR A 21 -7.160 -5.514 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.481 -3.668 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.827 -3.339 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.528 -4.697 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.049 -3.778 -6.118 1.00 0.00 H new ATOM 282 N THR A 22 -7.830 -6.687 -7.444 1.00 0.00 N ATOM 283 CA THR A 22 -6.949 -7.212 -8.480 1.00 0.00 C ATOM 284 C THR A 22 -5.952 -6.155 -8.939 1.00 0.00 C ATOM 285 O THR A 22 -6.316 -5.000 -9.164 1.00 0.00 O ATOM 286 CB THR A 22 -7.748 -7.711 -9.699 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.639 -8.760 -9.303 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.815 -8.216 -10.788 1.00 0.00 C ATOM 0 H THR A 22 -8.621 -6.148 -7.796 1.00 0.00 H new ATOM 0 HA THR A 22 -6.410 -8.051 -8.041 1.00 0.00 H new ATOM 0 HB THR A 22 -8.324 -6.875 -10.096 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.145 -9.071 -10.083 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.402 -8.563 -11.638 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.157 -7.408 -11.107 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.216 -9.040 -10.401 1.00 0.00 H new ATOM 296 N ILE A 23 -4.692 -6.556 -9.078 1.00 0.00 N ATOM 297 CA ILE A 23 -3.643 -5.642 -9.513 1.00 0.00 C ATOM 298 C ILE A 23 -3.444 -5.713 -11.023 1.00 0.00 C ATOM 299 O ILE A 23 -3.573 -6.777 -11.628 1.00 0.00 O ATOM 300 CB ILE A 23 -2.304 -5.950 -8.816 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.534 -6.251 -7.334 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.342 -4.785 -8.981 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.264 -6.579 -6.580 1.00 0.00 C ATOM 0 H ILE A 23 -4.373 -7.508 -8.896 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.965 -4.638 -9.238 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.862 -6.830 -9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.012 -5.390 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.226 -7.088 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.400 -5.017 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.159 -4.612 -10.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.776 -3.889 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.503 -6.781 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.795 -7.458 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.578 -5.734 -6.638 1.00 0.00 H new ATOM 315 N ALA A 24 -3.130 -4.571 -11.627 1.00 0.00 N ATOM 316 CA ALA A 24 -2.910 -4.503 -13.066 1.00 0.00 C ATOM 317 C ALA A 24 -1.427 -4.622 -13.401 1.00 0.00 C ATOM 318 O ALA A 24 -1.029 -4.475 -14.555 1.00 0.00 O ATOM 319 CB ALA A 24 -3.476 -3.207 -13.626 1.00 0.00 C ATOM 0 H ALA A 24 -3.022 -3.680 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.429 -5.343 -13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.304 -3.170 -14.702 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.547 -3.162 -13.428 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.983 -2.359 -13.151 1.00 0.00 H new ATOM 325 N GLN A 25 -0.615 -4.889 -12.382 1.00 0.00 N ATOM 326 CA GLN A 25 0.824 -5.026 -12.570 1.00 0.00 C ATOM 327 C GLN A 25 1.217 -6.492 -12.720 1.00 0.00 C ATOM 328 O GLN A 25 2.005 -6.848 -13.597 1.00 0.00 O ATOM 329 CB GLN A 25 1.576 -4.403 -11.392 1.00 0.00 C ATOM 330 CG GLN A 25 1.920 -2.937 -11.597 1.00 0.00 C ATOM 331 CD GLN A 25 3.060 -2.736 -12.575 1.00 0.00 C ATOM 332 OE1 GLN A 25 3.031 -3.248 -13.695 1.00 0.00 O ATOM 333 NE2 GLN A 25 4.075 -1.989 -12.157 1.00 0.00 N ATOM 0 H GLN A 25 -0.929 -5.014 -11.420 1.00 0.00 H new ATOM 0 HA GLN A 25 1.096 -4.500 -13.485 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.970 -4.503 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.495 -4.963 -11.222 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.038 -2.408 -11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.187 -2.493 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.058 -1.584 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.871 -1.820 -12.772 1.00 0.00 H new ATOM 342 N CYS A 26 0.663 -7.339 -11.859 1.00 0.00 N ATOM 343 CA CYS A 26 0.955 -8.767 -11.894 1.00 0.00 C ATOM 344 C CYS A 26 -0.332 -9.586 -11.845 1.00 0.00 C ATOM 345 O CYS A 26 -0.330 -10.737 -11.408 1.00 0.00 O ATOM 346 CB CYS A 26 1.863 -9.153 -10.725 1.00 0.00 C ATOM 347 SG CYS A 26 1.307 -8.515 -9.111 1.00 0.00 S ATOM 0 H CYS A 26 0.009 -7.061 -11.128 1.00 0.00 H new ATOM 0 HA CYS A 26 1.469 -8.984 -12.830 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.927 -10.240 -10.672 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.869 -8.784 -10.923 1.00 0.00 H new ATOM 0 HG CYS A 26 0.879 -9.500 -8.379 1.00 0.00 H new ATOM 352 N GLN A 27 -1.428 -8.985 -12.298 1.00 0.00 N ATOM 353 CA GLN A 27 -2.721 -9.659 -12.305 1.00 0.00 C ATOM 354 C GLN A 27 -2.897 -10.512 -11.053 1.00 0.00 C ATOM 355 O GLN A 27 -3.358 -11.651 -11.124 1.00 0.00 O ATOM 356 CB GLN A 27 -2.856 -10.532 -13.554 1.00 0.00 C ATOM 357 CG GLN A 27 -3.454 -9.801 -14.745 1.00 0.00 C ATOM 358 CD GLN A 27 -2.855 -8.422 -14.945 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.636 -8.272 -15.043 1.00 0.00 O ATOM 360 NE2 GLN A 27 -3.709 -7.408 -15.005 1.00 0.00 N ATOM 0 H GLN A 27 -1.446 -8.033 -12.665 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.500 -8.897 -12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.873 -10.913 -13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.478 -11.395 -13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.299 -10.394 -15.646 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.531 -9.708 -14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.711 -7.579 -14.919 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.364 -6.457 -15.137 1.00 0.00 H new ATOM 369 N CYS A 28 -2.527 -9.951 -9.906 1.00 0.00 N ATOM 370 CA CYS A 28 -2.644 -10.660 -8.637 1.00 0.00 C ATOM 371 C CYS A 28 -3.888 -10.211 -7.875 1.00 0.00 C ATOM 372 O CYS A 28 -4.524 -9.220 -8.235 1.00 0.00 O ATOM 373 CB CYS A 28 -1.398 -10.425 -7.781 1.00 0.00 C ATOM 374 SG CYS A 28 0.067 -11.360 -8.330 1.00 0.00 S ATOM 0 H CYS A 28 -2.144 -9.009 -9.829 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.735 -11.725 -8.852 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.161 -9.361 -7.788 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.623 -10.695 -6.749 1.00 0.00 H new ATOM 0 HG CYS A 28 0.170 -11.285 -9.624 1.00 0.00 H new ATOM 379 N ILE A 29 -4.228 -10.946 -6.822 1.00 0.00 N ATOM 380 CA ILE A 29 -5.395 -10.623 -6.010 1.00 0.00 C ATOM 381 C ILE A 29 -5.108 -10.837 -4.528 1.00 0.00 C ATOM 382 O ILE A 29 -4.352 -11.734 -4.154 1.00 0.00 O ATOM 383 CB ILE A 29 -6.615 -11.472 -6.414 1.00 0.00 C ATOM 384 CG1 ILE A 29 -7.868 -10.983 -5.684 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.360 -12.942 -6.114 1.00 0.00 C ATOM 386 CD1 ILE A 29 -8.546 -9.814 -6.364 1.00 0.00 C ATOM 0 H ILE A 29 -3.712 -11.769 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.621 -9.571 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.776 -11.363 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.577 -11.807 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.598 -10.695 -4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.231 -13.529 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.489 -13.282 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.177 -13.069 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.426 -9.521 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.853 -8.974 -6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.848 -10.104 -7.371 1.00 0.00 H new ATOM 398 N PHE A 30 -5.720 -10.009 -3.687 1.00 0.00 N ATOM 399 CA PHE A 30 -5.532 -10.109 -2.244 1.00 0.00 C ATOM 400 C PHE A 30 -6.747 -9.563 -1.499 1.00 0.00 C ATOM 401 O PHE A 30 -7.499 -8.746 -2.029 1.00 0.00 O ATOM 402 CB PHE A 30 -4.274 -9.348 -1.819 1.00 0.00 C ATOM 403 CG PHE A 30 -3.034 -9.786 -2.547 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.669 -9.187 -3.742 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.235 -10.794 -2.036 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.530 -9.587 -4.413 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.094 -11.200 -2.703 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.741 -10.594 -3.893 1.00 0.00 C ATOM 0 H PHE A 30 -6.350 -9.262 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.415 -11.162 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.429 -8.283 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.123 -9.481 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.282 -8.399 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.506 -11.269 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.257 -9.112 -5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.480 -11.989 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.151 -10.907 -4.416 1.00 0.00 H new ATOM 418 N CYS A 31 -6.930 -10.021 -0.265 1.00 0.00 N ATOM 419 CA CYS A 31 -8.053 -9.580 0.554 1.00 0.00 C ATOM 420 C CYS A 31 -7.795 -8.191 1.130 1.00 0.00 C ATOM 421 O CYS A 31 -6.781 -7.958 1.789 1.00 0.00 O ATOM 422 CB CYS A 31 -8.305 -10.575 1.689 1.00 0.00 C ATOM 423 SG CYS A 31 -7.110 -10.458 3.060 1.00 0.00 S ATOM 0 H CYS A 31 -6.316 -10.697 0.189 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.937 -9.532 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.309 -10.415 2.082 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.279 -11.586 1.284 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.921 -10.242 2.582 1.00 0.00 H new ATOM 428 N THR A 32 -8.719 -7.270 0.876 1.00 0.00 N ATOM 429 CA THR A 32 -8.592 -5.904 1.367 1.00 0.00 C ATOM 430 C THR A 32 -7.864 -5.866 2.706 1.00 0.00 C ATOM 431 O THR A 32 -6.872 -5.154 2.865 1.00 0.00 O ATOM 432 CB THR A 32 -9.969 -5.232 1.525 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.605 -5.113 0.247 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.832 -3.856 2.158 1.00 0.00 C ATOM 0 H THR A 32 -9.564 -7.446 0.333 1.00 0.00 H new ATOM 0 HA THR A 32 -8.012 -5.355 0.625 1.00 0.00 H new ATOM 0 HB THR A 32 -10.579 -5.855 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.481 -4.686 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.818 -3.402 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.374 -3.952 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.205 -3.226 1.527 1.00 0.00 H new ATOM 442 N LEU A 33 -8.363 -6.636 3.667 1.00 0.00 N ATOM 443 CA LEU A 33 -7.760 -6.692 4.994 1.00 0.00 C ATOM 444 C LEU A 33 -6.240 -6.608 4.905 1.00 0.00 C ATOM 445 O LEU A 33 -5.633 -5.642 5.368 1.00 0.00 O ATOM 446 CB LEU A 33 -8.170 -7.981 5.709 1.00 0.00 C ATOM 447 CG LEU A 33 -9.571 -7.993 6.318 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.891 -9.365 6.894 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.697 -6.921 7.390 1.00 0.00 C ATOM 0 H LEU A 33 -9.184 -7.230 3.552 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.120 -5.837 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.097 -8.805 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.449 -8.178 6.502 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.291 -7.775 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.893 -9.355 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.843 -10.112 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.166 -9.612 7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.702 -6.945 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.968 -7.107 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.512 -5.942 6.949 1.00 0.00 H new ATOM 461 N CYS A 34 -5.630 -7.624 4.304 1.00 0.00 N ATOM 462 CA CYS A 34 -4.181 -7.665 4.152 1.00 0.00 C ATOM 463 C CYS A 34 -3.676 -6.429 3.413 1.00 0.00 C ATOM 464 O CYS A 34 -3.031 -5.561 4.001 1.00 0.00 O ATOM 465 CB CYS A 34 -3.762 -8.930 3.399 1.00 0.00 C ATOM 466 SG CYS A 34 -4.133 -10.478 4.283 1.00 0.00 S ATOM 0 H CYS A 34 -6.117 -8.431 3.914 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.736 -7.678 5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.264 -8.947 2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.691 -8.885 3.202 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.380 -10.794 4.099 1.00 0.00 H new ATOM 471 N LEU A 35 -3.974 -6.357 2.120 1.00 0.00 N ATOM 472 CA LEU A 35 -3.552 -5.228 1.299 1.00 0.00 C ATOM 473 C LEU A 35 -3.603 -3.927 2.094 1.00 0.00 C ATOM 474 O LEU A 35 -2.771 -3.039 1.910 1.00 0.00 O ATOM 475 CB LEU A 35 -4.437 -5.115 0.057 1.00 0.00 C ATOM 476 CG LEU A 35 -3.928 -5.827 -1.197 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.038 -5.947 -2.229 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.732 -5.089 -1.780 1.00 0.00 C ATOM 0 H LEU A 35 -4.506 -7.067 1.618 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.522 -5.402 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.423 -5.511 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.567 -4.058 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.609 -6.831 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.658 -6.456 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.865 -6.519 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.388 -4.952 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.383 -5.609 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.025 -4.073 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.930 -5.055 -1.042 1.00 0.00 H new ATOM 490 N LYS A 36 -4.586 -3.822 2.983 1.00 0.00 N ATOM 491 CA LYS A 36 -4.746 -2.632 3.810 1.00 0.00 C ATOM 492 C LYS A 36 -3.545 -2.445 4.733 1.00 0.00 C ATOM 493 O LYS A 36 -2.776 -1.497 4.580 1.00 0.00 O ATOM 494 CB LYS A 36 -6.029 -2.730 4.639 1.00 0.00 C ATOM 495 CG LYS A 36 -6.419 -1.426 5.312 1.00 0.00 C ATOM 496 CD LYS A 36 -7.865 -1.451 5.781 1.00 0.00 C ATOM 497 CE LYS A 36 -8.355 -0.060 6.152 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.094 0.258 7.583 1.00 0.00 N ATOM 0 H LYS A 36 -5.284 -4.547 3.149 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.813 -1.768 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.845 -3.054 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.901 -3.499 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.763 -1.244 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.275 -0.599 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.497 -1.862 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.958 -2.112 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.862 0.679 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.424 0.013 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.443 1.214 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.585 -0.432 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.071 0.214 7.768 1.00 0.00 H new ATOM 512 N GLN A 37 -3.391 -3.356 5.688 1.00 0.00 N ATOM 513 CA GLN A 37 -2.284 -3.291 6.634 1.00 0.00 C ATOM 514 C GLN A 37 -0.944 -3.326 5.906 1.00 0.00 C ATOM 515 O GLN A 37 0.044 -2.764 6.379 1.00 0.00 O ATOM 516 CB GLN A 37 -2.367 -4.450 7.629 1.00 0.00 C ATOM 517 CG GLN A 37 -3.283 -4.172 8.811 1.00 0.00 C ATOM 518 CD GLN A 37 -3.927 -5.431 9.357 1.00 0.00 C ATOM 519 OE1 GLN A 37 -3.297 -6.486 9.425 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.192 -5.325 9.751 1.00 0.00 N ATOM 0 H GLN A 37 -4.019 -4.148 5.827 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.358 -2.349 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.719 -5.341 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.366 -4.672 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.712 -3.688 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.062 -3.473 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.676 -4.430 9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.679 -6.138 10.128 1.00 0.00 H new ATOM 529 N TYR A 38 -0.918 -3.988 4.756 1.00 0.00 N ATOM 530 CA TYR A 38 0.300 -4.098 3.964 1.00 0.00 C ATOM 531 C TYR A 38 0.790 -2.723 3.523 1.00 0.00 C ATOM 532 O TYR A 38 1.792 -2.215 4.027 1.00 0.00 O ATOM 533 CB TYR A 38 0.061 -4.983 2.739 1.00 0.00 C ATOM 534 CG TYR A 38 1.254 -5.077 1.816 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.408 -5.746 2.207 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.230 -4.495 0.555 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.502 -5.833 1.367 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.318 -4.580 -0.291 1.00 0.00 C ATOM 539 CZ TYR A 38 3.452 -5.250 0.119 1.00 0.00 C ATOM 540 OH TYR A 38 4.539 -5.335 -0.721 1.00 0.00 O ATOM 0 H TYR A 38 -1.728 -4.457 4.351 1.00 0.00 H new ATOM 0 HA TYR A 38 1.068 -4.554 4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.209 -5.985 3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.790 -4.593 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.450 -6.205 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.345 -3.967 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.392 -6.355 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.281 -4.124 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 38 4.420 -4.719 -1.474 1.00 0.00 H new ATOM 550 N VAL A 39 0.074 -2.122 2.577 1.00 0.00 N ATOM 551 CA VAL A 39 0.434 -0.804 2.067 1.00 0.00 C ATOM 552 C VAL A 39 0.509 0.219 3.195 1.00 0.00 C ATOM 553 O VAL A 39 1.204 1.228 3.085 1.00 0.00 O ATOM 554 CB VAL A 39 -0.577 -0.316 1.012 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.803 -1.385 -0.046 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.890 0.078 1.674 1.00 0.00 C ATOM 0 H VAL A 39 -0.758 -2.527 2.149 1.00 0.00 H new ATOM 0 HA VAL A 39 1.415 -0.901 1.602 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.166 0.566 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.520 -1.022 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.141 -1.613 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.192 -2.287 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.592 0.420 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.309 -0.784 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.710 0.880 2.390 1.00 0.00 H new ATOM 566 N GLU A 40 -0.212 -0.049 4.279 1.00 0.00 N ATOM 567 CA GLU A 40 -0.227 0.848 5.428 1.00 0.00 C ATOM 568 C GLU A 40 1.096 0.787 6.184 1.00 0.00 C ATOM 569 O GLU A 40 1.749 1.809 6.401 1.00 0.00 O ATOM 570 CB GLU A 40 -1.381 0.493 6.367 1.00 0.00 C ATOM 571 CG GLU A 40 -2.664 1.250 6.070 1.00 0.00 C ATOM 572 CD GLU A 40 -3.708 1.077 7.156 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.355 1.214 8.346 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.879 0.803 6.816 1.00 0.00 O ATOM 0 H GLU A 40 -0.793 -0.880 4.385 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.368 1.864 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.577 -0.577 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.078 0.697 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.438 2.310 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.073 0.906 5.120 1.00 0.00 H new ATOM 581 N LEU A 41 1.487 -0.418 6.583 1.00 0.00 N ATOM 582 CA LEU A 41 2.733 -0.615 7.316 1.00 0.00 C ATOM 583 C LEU A 41 3.932 -0.181 6.478 1.00 0.00 C ATOM 584 O LEU A 41 4.890 0.394 6.996 1.00 0.00 O ATOM 585 CB LEU A 41 2.884 -2.081 7.721 1.00 0.00 C ATOM 586 CG LEU A 41 1.922 -2.583 8.800 1.00 0.00 C ATOM 587 CD1 LEU A 41 2.559 -3.705 9.604 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.505 -1.440 9.714 1.00 0.00 C ATOM 0 H LEU A 41 0.959 -1.274 6.411 1.00 0.00 H new ATOM 0 HA LEU A 41 2.698 0.001 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.754 -2.698 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.904 -2.237 8.071 1.00 0.00 H new ATOM 0 HG LEU A 41 1.031 -2.976 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.860 -4.049 10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.808 -4.533 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.467 -3.339 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.821 -1.814 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.388 -1.018 10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.007 -0.668 9.127 1.00 0.00 H new ATOM 600 N LEU A 42 3.872 -0.460 5.180 1.00 0.00 N ATOM 601 CA LEU A 42 4.951 -0.096 4.270 1.00 0.00 C ATOM 602 C LEU A 42 5.083 1.420 4.158 1.00 0.00 C ATOM 603 O LEU A 42 6.161 1.975 4.372 1.00 0.00 O ATOM 604 CB LEU A 42 4.703 -0.701 2.887 1.00 0.00 C ATOM 605 CG LEU A 42 5.246 -2.114 2.665 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.719 -2.689 1.359 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.767 -2.108 2.671 1.00 0.00 C ATOM 0 H LEU A 42 3.088 -0.937 4.735 1.00 0.00 H new ATOM 0 HA LEU A 42 5.882 -0.494 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.628 -0.714 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.145 -0.042 2.140 1.00 0.00 H new ATOM 0 HG LEU A 42 4.902 -2.747 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.116 -3.694 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.630 -2.730 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.033 -2.055 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.135 -3.121 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.131 -1.460 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.126 -1.738 3.632 1.00 0.00 H new ATOM 619 N ILE A 43 3.981 2.081 3.824 1.00 0.00 N ATOM 620 CA ILE A 43 3.973 3.532 3.688 1.00 0.00 C ATOM 621 C ILE A 43 4.407 4.208 4.984 1.00 0.00 C ATOM 622 O ILE A 43 5.184 5.163 4.969 1.00 0.00 O ATOM 623 CB ILE A 43 2.578 4.053 3.293 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.226 3.605 1.874 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.528 5.569 3.404 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.739 3.595 1.595 1.00 0.00 C ATOM 0 H ILE A 43 3.082 1.635 3.642 1.00 0.00 H new ATOM 0 HA ILE A 43 4.681 3.778 2.897 1.00 0.00 H new ATOM 0 HB ILE A 43 1.842 3.634 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.717 4.267 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.625 2.605 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.536 5.922 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.740 5.866 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.272 6.007 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.563 3.267 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.244 2.911 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.337 4.599 1.729 1.00 0.00 H new ATOM 638 N LYS A 44 3.903 3.706 6.105 1.00 0.00 N ATOM 639 CA LYS A 44 4.240 4.257 7.412 1.00 0.00 C ATOM 640 C LYS A 44 5.748 4.235 7.639 1.00 0.00 C ATOM 641 O LYS A 44 6.287 5.061 8.376 1.00 0.00 O ATOM 642 CB LYS A 44 3.536 3.470 8.519 1.00 0.00 C ATOM 643 CG LYS A 44 2.073 3.840 8.692 1.00 0.00 C ATOM 644 CD LYS A 44 1.390 2.950 9.717 1.00 0.00 C ATOM 645 CE LYS A 44 1.674 3.416 11.136 1.00 0.00 C ATOM 646 NZ LYS A 44 1.674 2.284 12.103 1.00 0.00 N ATOM 0 H LYS A 44 3.258 2.916 6.135 1.00 0.00 H new ATOM 0 HA LYS A 44 3.900 5.292 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.609 2.405 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.058 3.638 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.995 4.882 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.559 3.754 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.314 2.950 9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.733 1.923 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.640 3.919 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.924 4.148 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.871 2.644 13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.744 1.819 12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.407 1.597 11.833 1.00 0.00 H new ATOM 660 N GLU A 45 6.425 3.285 6.999 1.00 0.00 N ATOM 661 CA GLU A 45 7.871 3.158 7.133 1.00 0.00 C ATOM 662 C GLU A 45 8.585 4.319 6.449 1.00 0.00 C ATOM 663 O GLU A 45 9.167 5.179 7.108 1.00 0.00 O ATOM 664 CB GLU A 45 8.345 1.831 6.535 1.00 0.00 C ATOM 665 CG GLU A 45 9.787 1.491 6.876 1.00 0.00 C ATOM 666 CD GLU A 45 9.987 1.211 8.352 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.805 2.142 9.164 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.326 0.059 8.696 1.00 0.00 O ATOM 0 H GLU A 45 5.995 2.594 6.384 1.00 0.00 H new ATOM 0 HA GLU A 45 8.115 3.179 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.698 1.030 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.236 1.871 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.097 0.619 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.432 2.317 6.576 1.00 0.00 H new ATOM 675 N GLY A 46 8.536 4.338 5.120 1.00 0.00 N ATOM 676 CA GLY A 46 9.183 5.397 4.368 1.00 0.00 C ATOM 677 C GLY A 46 10.371 4.900 3.569 1.00 0.00 C ATOM 678 O GLY A 46 10.674 5.427 2.498 1.00 0.00 O ATOM 0 H GLY A 46 8.059 3.638 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.459 5.852 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.512 6.177 5.055 1.00 0.00 H new ATOM 682 N LEU A 47 11.048 3.883 4.091 1.00 0.00 N ATOM 683 CA LEU A 47 12.213 3.315 3.421 1.00 0.00 C ATOM 684 C LEU A 47 11.883 2.941 1.980 1.00 0.00 C ATOM 685 O LEU A 47 12.757 2.943 1.113 1.00 0.00 O ATOM 686 CB LEU A 47 12.711 2.084 4.179 1.00 0.00 C ATOM 687 CG LEU A 47 12.128 0.741 3.736 1.00 0.00 C ATOM 688 CD1 LEU A 47 12.992 0.115 2.653 1.00 0.00 C ATOM 689 CD2 LEU A 47 11.994 -0.201 4.923 1.00 0.00 C ATOM 0 H LEU A 47 10.810 3.435 4.976 1.00 0.00 H new ATOM 0 HA LEU A 47 13.000 4.069 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.796 2.036 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.492 2.221 5.238 1.00 0.00 H new ATOM 0 HG LEU A 47 11.135 0.917 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.561 -0.840 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.036 0.782 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.999 -0.047 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.578 -1.151 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.976 -0.371 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.333 0.243 5.667 1.00 0.00 H new ATOM 701 N GLU A 48 10.616 2.622 1.731 1.00 0.00 N ATOM 702 CA GLU A 48 10.171 2.248 0.394 1.00 0.00 C ATOM 703 C GLU A 48 9.207 3.286 -0.169 1.00 0.00 C ATOM 704 O GLU A 48 8.382 3.844 0.556 1.00 0.00 O ATOM 705 CB GLU A 48 9.498 0.874 0.424 1.00 0.00 C ATOM 706 CG GLU A 48 9.424 0.204 -0.939 1.00 0.00 C ATOM 707 CD GLU A 48 9.045 -1.262 -0.848 1.00 0.00 C ATOM 708 OE1 GLU A 48 7.968 -1.562 -0.291 1.00 0.00 O ATOM 709 OE2 GLU A 48 9.824 -2.106 -1.335 1.00 0.00 O ATOM 0 H GLU A 48 9.881 2.615 2.438 1.00 0.00 H new ATOM 0 HA GLU A 48 11.047 2.203 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.044 0.226 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.489 0.981 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.694 0.726 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.389 0.296 -1.438 1.00 0.00 H new ATOM 716 N THR A 49 9.316 3.544 -1.469 1.00 0.00 N ATOM 717 CA THR A 49 8.456 4.515 -2.131 1.00 0.00 C ATOM 718 C THR A 49 7.436 3.826 -3.030 1.00 0.00 C ATOM 719 O THR A 49 6.355 4.359 -3.282 1.00 0.00 O ATOM 720 CB THR A 49 9.277 5.510 -2.973 1.00 0.00 C ATOM 721 OG1 THR A 49 10.165 4.799 -3.843 1.00 0.00 O ATOM 722 CG2 THR A 49 10.075 6.447 -2.080 1.00 0.00 C ATOM 0 H THR A 49 9.993 3.093 -2.084 1.00 0.00 H new ATOM 0 HA THR A 49 7.933 5.060 -1.345 1.00 0.00 H new ATOM 0 HB THR A 49 8.585 6.105 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.682 5.438 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.646 7.140 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.394 7.008 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.758 5.866 -1.461 1.00 0.00 H new ATOM 730 N ALA A 50 7.786 2.638 -3.511 1.00 0.00 N ATOM 731 CA ALA A 50 6.899 1.874 -4.380 1.00 0.00 C ATOM 732 C ALA A 50 6.373 0.630 -3.670 1.00 0.00 C ATOM 733 O ALA A 50 7.149 -0.195 -3.187 1.00 0.00 O ATOM 734 CB ALA A 50 7.622 1.487 -5.661 1.00 0.00 C ATOM 0 H ALA A 50 8.678 2.183 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 50 6.046 2.504 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.948 0.917 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.943 2.388 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.493 0.878 -5.418 1.00 0.00 H new ATOM 740 N ILE A 51 5.052 0.502 -3.613 1.00 0.00 N ATOM 741 CA ILE A 51 4.424 -0.641 -2.964 1.00 0.00 C ATOM 742 C ILE A 51 4.474 -1.878 -3.856 1.00 0.00 C ATOM 743 O ILE A 51 3.684 -2.013 -4.790 1.00 0.00 O ATOM 744 CB ILE A 51 2.957 -0.346 -2.597 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.867 0.925 -1.750 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.348 -1.527 -1.857 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.464 0.774 -0.368 1.00 0.00 C ATOM 0 H ILE A 51 4.396 1.176 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 51 4.987 -0.832 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 51 2.392 -0.189 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.377 1.736 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.821 1.215 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.312 -1.303 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.384 -2.412 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.912 -1.714 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.365 1.713 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.939 -0.014 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.519 0.514 -0.454 1.00 0.00 H new ATOM 759 N SER A 52 5.408 -2.776 -3.562 1.00 0.00 N ATOM 760 CA SER A 52 5.563 -4.000 -4.339 1.00 0.00 C ATOM 761 C SER A 52 4.493 -5.020 -3.963 1.00 0.00 C ATOM 762 O SER A 52 3.761 -4.840 -2.990 1.00 0.00 O ATOM 763 CB SER A 52 6.954 -4.597 -4.117 1.00 0.00 C ATOM 764 OG SER A 52 7.268 -5.546 -5.121 1.00 0.00 O ATOM 0 H SER A 52 6.069 -2.679 -2.791 1.00 0.00 H new ATOM 0 HA SER A 52 5.447 -3.750 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.699 -3.801 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.997 -5.072 -3.137 1.00 0.00 H new ATOM 0 HG SER A 52 8.162 -5.911 -4.957 1.00 0.00 H new ATOM 770 N CYS A 53 4.409 -6.094 -4.743 1.00 0.00 N ATOM 771 CA CYS A 53 3.430 -7.145 -4.495 1.00 0.00 C ATOM 772 C CYS A 53 3.711 -7.850 -3.171 1.00 0.00 C ATOM 773 O CYS A 53 4.832 -8.273 -2.891 1.00 0.00 O ATOM 774 CB CYS A 53 3.440 -8.161 -5.639 1.00 0.00 C ATOM 775 SG CYS A 53 2.155 -9.445 -5.504 1.00 0.00 S ATOM 0 H CYS A 53 5.008 -6.258 -5.552 1.00 0.00 H new ATOM 0 HA CYS A 53 2.445 -6.682 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.311 -7.631 -6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.417 -8.642 -5.675 1.00 0.00 H new ATOM 0 HG CYS A 53 1.501 -9.524 -6.625 1.00 0.00 H new ATOM 780 N PRO A 54 2.669 -7.979 -2.336 1.00 0.00 N ATOM 781 CA PRO A 54 2.779 -8.632 -1.029 1.00 0.00 C ATOM 782 C PRO A 54 2.995 -10.138 -1.149 1.00 0.00 C ATOM 783 O PRO A 54 3.109 -10.839 -0.144 1.00 0.00 O ATOM 784 CB PRO A 54 1.429 -8.337 -0.370 1.00 0.00 C ATOM 785 CG PRO A 54 0.490 -8.127 -1.507 1.00 0.00 C ATOM 786 CD PRO A 54 1.304 -7.498 -2.605 1.00 0.00 C ATOM 0 HA PRO A 54 3.635 -8.266 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.107 -9.165 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.484 -7.454 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.056 -9.072 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.338 -7.481 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.956 -7.807 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.248 -6.410 -2.574 1.00 0.00 H new ATOM 794 N ASP A 55 3.051 -10.625 -2.383 1.00 0.00 N ATOM 795 CA ASP A 55 3.254 -12.047 -2.635 1.00 0.00 C ATOM 796 C ASP A 55 4.741 -12.370 -2.751 1.00 0.00 C ATOM 797 O ASP A 55 5.527 -11.555 -3.233 1.00 0.00 O ATOM 798 CB ASP A 55 2.525 -12.471 -3.911 1.00 0.00 C ATOM 799 CG ASP A 55 2.708 -13.944 -4.220 1.00 0.00 C ATOM 800 OD1 ASP A 55 3.086 -14.700 -3.301 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.472 -14.340 -5.380 1.00 0.00 O ATOM 0 H ASP A 55 2.959 -10.056 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 55 2.844 -12.603 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.462 -12.254 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.892 -11.879 -4.749 1.00 0.00 H new ATOM 806 N ALA A 56 5.118 -13.564 -2.308 1.00 0.00 N ATOM 807 CA ALA A 56 6.510 -13.995 -2.363 1.00 0.00 C ATOM 808 C ALA A 56 6.760 -14.884 -3.578 1.00 0.00 C ATOM 809 O ALA A 56 7.836 -14.847 -4.174 1.00 0.00 O ATOM 810 CB ALA A 56 6.888 -14.727 -1.084 1.00 0.00 C ATOM 0 H ALA A 56 4.479 -14.251 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 56 7.136 -13.108 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.930 -15.043 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.756 -14.061 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.250 -15.602 -0.963 1.00 0.00 H new ATOM 816 N ALA A 57 5.761 -15.682 -3.937 1.00 0.00 N ATOM 817 CA ALA A 57 5.874 -16.580 -5.080 1.00 0.00 C ATOM 818 C ALA A 57 5.388 -15.904 -6.358 1.00 0.00 C ATOM 819 O ALA A 57 4.873 -16.561 -7.263 1.00 0.00 O ATOM 820 CB ALA A 57 5.090 -17.859 -4.826 1.00 0.00 C ATOM 0 H ALA A 57 4.864 -15.725 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 57 6.926 -16.832 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.183 -18.520 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.485 -18.358 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.039 -17.616 -4.667 1.00 0.00 H new ATOM 826 N CYS A 58 5.554 -14.587 -6.425 1.00 0.00 N ATOM 827 CA CYS A 58 5.130 -13.821 -7.591 1.00 0.00 C ATOM 828 C CYS A 58 6.275 -13.675 -8.590 1.00 0.00 C ATOM 829 O CYS A 58 7.228 -12.925 -8.374 1.00 0.00 O ATOM 830 CB CYS A 58 4.630 -12.440 -7.166 1.00 0.00 C ATOM 831 SG CYS A 58 3.834 -11.493 -8.504 1.00 0.00 S ATOM 0 H CYS A 58 5.979 -14.028 -5.685 1.00 0.00 H new ATOM 0 HA CYS A 58 4.316 -14.361 -8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.920 -12.558 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.471 -11.864 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 58 2.544 -11.517 -8.344 1.00 0.00 H new ATOM 836 N PRO A 59 6.181 -14.407 -9.710 1.00 0.00 N ATOM 837 CA PRO A 59 7.198 -14.375 -10.765 1.00 0.00 C ATOM 838 C PRO A 59 7.213 -13.048 -11.516 1.00 0.00 C ATOM 839 O PRO A 59 8.164 -12.740 -12.236 1.00 0.00 O ATOM 840 CB PRO A 59 6.777 -15.513 -11.698 1.00 0.00 C ATOM 841 CG PRO A 59 5.312 -15.660 -11.479 1.00 0.00 C ATOM 842 CD PRO A 59 5.072 -15.320 -10.033 1.00 0.00 C ATOM 0 HA PRO A 59 8.205 -14.485 -10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.000 -15.275 -12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.307 -16.436 -11.461 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.751 -14.994 -12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.984 -16.676 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.103 -14.843 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.087 -16.209 -9.403 1.00 0.00 H new ATOM 850 N LYS A 60 6.154 -12.264 -11.344 1.00 0.00 N ATOM 851 CA LYS A 60 6.045 -10.969 -12.004 1.00 0.00 C ATOM 852 C LYS A 60 6.581 -9.855 -11.110 1.00 0.00 C ATOM 853 O LYS A 60 7.088 -8.846 -11.598 1.00 0.00 O ATOM 854 CB LYS A 60 4.588 -10.683 -12.375 1.00 0.00 C ATOM 855 CG LYS A 60 4.422 -9.508 -13.323 1.00 0.00 C ATOM 856 CD LYS A 60 4.647 -9.920 -14.767 1.00 0.00 C ATOM 857 CE LYS A 60 3.899 -9.009 -15.730 1.00 0.00 C ATOM 858 NZ LYS A 60 2.511 -9.484 -15.979 1.00 0.00 N ATOM 0 H LYS A 60 5.358 -12.504 -10.752 1.00 0.00 H new ATOM 0 HA LYS A 60 6.645 -11.002 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.157 -11.573 -12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.021 -10.488 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.421 -9.091 -13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.126 -8.721 -13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.713 -9.893 -14.992 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.318 -10.949 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.869 -7.998 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.440 -8.957 -16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.036 -8.836 -16.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.539 -10.439 -16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.986 -9.509 -15.081 1.00 0.00 H new ATOM 872 N GLN A 61 6.465 -10.047 -9.800 1.00 0.00 N ATOM 873 CA GLN A 61 6.939 -9.059 -8.838 1.00 0.00 C ATOM 874 C GLN A 61 6.416 -7.669 -9.184 1.00 0.00 C ATOM 875 O GLN A 61 7.183 -6.714 -9.287 1.00 0.00 O ATOM 876 CB GLN A 61 8.469 -9.047 -8.800 1.00 0.00 C ATOM 877 CG GLN A 61 9.080 -10.396 -8.459 1.00 0.00 C ATOM 878 CD GLN A 61 10.590 -10.338 -8.338 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.154 -10.675 -7.296 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.254 -9.912 -9.406 1.00 0.00 N ATOM 0 H GLN A 61 6.047 -10.877 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 61 6.560 -9.335 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.846 -8.722 -9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.800 -8.312 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.658 -10.755 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.808 -11.119 -9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.746 -9.643 -10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.272 -9.854 -9.384 1.00 0.00 H new ATOM 889 N GLY A 62 5.102 -7.564 -9.363 1.00 0.00 N ATOM 890 CA GLY A 62 4.498 -6.287 -9.695 1.00 0.00 C ATOM 891 C GLY A 62 4.309 -5.401 -8.479 1.00 0.00 C ATOM 892 O GLY A 62 4.692 -5.769 -7.369 1.00 0.00 O ATOM 0 H GLY A 62 4.446 -8.341 -9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.124 -5.771 -10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.532 -6.458 -10.170 1.00 0.00 H new ATOM 896 N HIS A 63 3.717 -4.230 -8.689 1.00 0.00 N ATOM 897 CA HIS A 63 3.479 -3.288 -7.602 1.00 0.00 C ATOM 898 C HIS A 63 2.022 -2.835 -7.585 1.00 0.00 C ATOM 899 O HIS A 63 1.209 -3.292 -8.390 1.00 0.00 O ATOM 900 CB HIS A 63 4.400 -2.076 -7.738 1.00 0.00 C ATOM 901 CG HIS A 63 5.823 -2.435 -8.040 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.235 -2.903 -9.269 1.00 0.00 N ATOM 903 CD2 HIS A 63 6.931 -2.390 -7.264 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.537 -3.133 -9.236 1.00 0.00 C ATOM 905 NE2 HIS A 63 7.982 -2.830 -8.030 1.00 0.00 N ATOM 0 H HIS A 63 3.393 -3.911 -9.602 1.00 0.00 H new ATOM 0 HA HIS A 63 3.695 -3.795 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.021 -1.429 -8.530 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.368 -1.500 -6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.979 -2.068 -6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.134 -3.505 -10.055 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.950 -2.910 -7.718 1.00 0.00 H new ATOM 913 N LEU A 64 1.698 -1.935 -6.663 1.00 0.00 N ATOM 914 CA LEU A 64 0.339 -1.421 -6.541 1.00 0.00 C ATOM 915 C LEU A 64 0.247 0.008 -7.067 1.00 0.00 C ATOM 916 O LEU A 64 1.138 0.824 -6.831 1.00 0.00 O ATOM 917 CB LEU A 64 -0.116 -1.469 -5.081 1.00 0.00 C ATOM 918 CG LEU A 64 -0.791 -2.765 -4.630 1.00 0.00 C ATOM 919 CD1 LEU A 64 -2.157 -2.912 -5.282 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.089 -3.964 -4.955 1.00 0.00 C ATOM 0 H LEU A 64 2.358 -1.546 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.317 -2.052 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.752 -1.295 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.808 -0.644 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.931 -2.723 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.621 -3.840 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.788 -2.069 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.043 -2.932 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.406 -4.878 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.260 -4.009 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.044 -3.864 -4.440 1.00 0.00 H new ATOM 932 N GLN A 65 -0.836 0.303 -7.779 1.00 0.00 N ATOM 933 CA GLN A 65 -1.043 1.635 -8.337 1.00 0.00 C ATOM 934 C GLN A 65 -1.688 2.560 -7.311 1.00 0.00 C ATOM 935 O GLN A 65 -1.944 2.160 -6.175 1.00 0.00 O ATOM 936 CB GLN A 65 -1.918 1.555 -9.589 1.00 0.00 C ATOM 937 CG GLN A 65 -1.451 0.512 -10.593 1.00 0.00 C ATOM 938 CD GLN A 65 -0.465 1.071 -11.598 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.013 2.210 -11.476 1.00 0.00 O ATOM 940 NE2 GLN A 65 -0.125 0.271 -12.603 1.00 0.00 N ATOM 0 H GLN A 65 -1.583 -0.361 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.070 2.044 -8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.942 1.329 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.935 2.531 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.989 -0.319 -10.060 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.315 0.110 -11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.523 -0.666 -12.666 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.534 0.594 -13.311 1.00 0.00 H new ATOM 949 N GLU A 66 -1.946 3.799 -7.718 1.00 0.00 N ATOM 950 CA GLU A 66 -2.559 4.782 -6.832 1.00 0.00 C ATOM 951 C GLU A 66 -4.051 4.511 -6.669 1.00 0.00 C ATOM 952 O GLU A 66 -4.587 4.569 -5.563 1.00 0.00 O ATOM 953 CB GLU A 66 -2.343 6.196 -7.375 1.00 0.00 C ATOM 954 CG GLU A 66 -2.682 7.290 -6.377 1.00 0.00 C ATOM 955 CD GLU A 66 -3.098 8.584 -7.048 1.00 0.00 C ATOM 956 OE1 GLU A 66 -2.452 8.969 -8.045 1.00 0.00 O ATOM 957 OE2 GLU A 66 -4.068 9.212 -6.577 1.00 0.00 O ATOM 0 H GLU A 66 -1.740 4.146 -8.655 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.083 4.699 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.302 6.304 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.952 6.330 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.487 6.947 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.817 7.477 -5.741 1.00 0.00 H new ATOM 964 N ASN A 67 -4.717 4.214 -7.780 1.00 0.00 N ATOM 965 CA ASN A 67 -6.150 3.935 -7.761 1.00 0.00 C ATOM 966 C ASN A 67 -6.528 3.113 -6.533 1.00 0.00 C ATOM 967 O ASN A 67 -7.522 3.398 -5.866 1.00 0.00 O ATOM 968 CB ASN A 67 -6.561 3.190 -9.032 1.00 0.00 C ATOM 969 CG ASN A 67 -6.104 1.744 -9.029 1.00 0.00 C ATOM 970 OD1 ASN A 67 -6.631 0.916 -8.286 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.119 1.433 -9.863 1.00 0.00 N ATOM 0 H ASN A 67 -4.289 4.160 -8.704 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.680 4.887 -7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.646 3.225 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.141 3.699 -9.900 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.770 0.476 -9.906 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.711 2.152 -10.461 1.00 0.00 H new ATOM 978 N GLU A 68 -5.727 2.095 -6.239 1.00 0.00 N ATOM 979 CA GLU A 68 -5.977 1.232 -5.090 1.00 0.00 C ATOM 980 C GLU A 68 -5.662 1.959 -3.785 1.00 0.00 C ATOM 981 O GLU A 68 -6.565 2.324 -3.033 1.00 0.00 O ATOM 982 CB GLU A 68 -5.142 -0.045 -5.191 1.00 0.00 C ATOM 983 CG GLU A 68 -5.365 -0.819 -6.478 1.00 0.00 C ATOM 984 CD GLU A 68 -4.447 -0.366 -7.598 1.00 0.00 C ATOM 985 OE1 GLU A 68 -3.621 0.539 -7.357 1.00 0.00 O ATOM 986 OE2 GLU A 68 -4.554 -0.917 -8.713 1.00 0.00 O ATOM 0 H GLU A 68 -4.899 1.847 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.034 0.966 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.086 0.214 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.376 -0.690 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.207 -1.881 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.402 -0.702 -6.793 1.00 0.00 H new ATOM 993 N ILE A 69 -4.375 2.163 -3.526 1.00 0.00 N ATOM 994 CA ILE A 69 -3.941 2.846 -2.313 1.00 0.00 C ATOM 995 C ILE A 69 -4.922 3.946 -1.920 1.00 0.00 C ATOM 996 O ILE A 69 -5.284 4.078 -0.752 1.00 0.00 O ATOM 997 CB ILE A 69 -2.539 3.461 -2.485 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.525 2.376 -2.853 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.116 4.178 -1.211 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.156 2.921 -3.198 1.00 0.00 C ATOM 0 H ILE A 69 -3.615 1.866 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.906 2.095 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.574 4.190 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.431 1.680 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.905 1.807 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.123 4.607 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.828 4.973 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.093 3.468 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.511 2.096 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.237 3.594 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.245 3.465 -2.343 1.00 0.00 H new ATOM 1012 N GLU A 70 -5.347 4.731 -2.904 1.00 0.00 N ATOM 1013 CA GLU A 70 -6.287 5.820 -2.660 1.00 0.00 C ATOM 1014 C GLU A 70 -7.371 5.391 -1.677 1.00 0.00 C ATOM 1015 O GLU A 70 -7.448 5.903 -0.559 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.925 6.276 -3.974 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.334 7.739 -3.976 1.00 0.00 C ATOM 1018 CD GLU A 70 -8.539 8.009 -3.097 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -9.677 7.885 -3.596 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.345 8.347 -1.911 1.00 0.00 O ATOM 0 H GLU A 70 -5.056 4.634 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.735 6.653 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.222 6.103 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.803 5.662 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.496 8.347 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.557 8.049 -4.997 1.00 0.00 H new ATOM 1027 N CYS A 71 -8.208 4.451 -2.100 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.290 3.953 -1.258 1.00 0.00 C ATOM 1029 C CYS A 71 -8.751 3.045 -0.159 1.00 0.00 C ATOM 1030 O CYS A 71 -9.204 3.099 0.983 1.00 0.00 O ATOM 1031 CB CYS A 71 -10.317 3.197 -2.104 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.715 2.548 -1.160 1.00 0.00 S ATOM 0 H CYS A 71 -8.158 4.018 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.776 4.809 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.694 3.863 -2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.818 2.370 -2.609 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.529 1.927 -1.961 1.00 0.00 H new ATOM 1038 N MET A 72 -7.779 2.210 -0.513 1.00 0.00 N ATOM 1039 CA MET A 72 -7.177 1.289 0.445 1.00 0.00 C ATOM 1040 C MET A 72 -6.943 1.976 1.787 1.00 0.00 C ATOM 1041 O MET A 72 -7.333 1.461 2.835 1.00 0.00 O ATOM 1042 CB MET A 72 -5.855 0.745 -0.100 1.00 0.00 C ATOM 1043 CG MET A 72 -5.394 -0.530 0.587 1.00 0.00 C ATOM 1044 SD MET A 72 -3.990 -1.298 -0.246 1.00 0.00 S ATOM 1045 CE MET A 72 -4.756 -1.842 -1.770 1.00 0.00 C ATOM 0 H MET A 72 -7.392 2.152 -1.455 1.00 0.00 H new ATOM 0 HA MET A 72 -7.868 0.460 0.597 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.963 0.554 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.084 1.507 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.121 -0.305 1.618 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.222 -1.238 0.624 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.983 -2.092 -2.497 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.369 -2.722 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.383 -1.044 -2.167 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.304 3.140 1.747 1.00 0.00 N ATOM 1056 CA VAL A 73 -6.019 3.898 2.960 1.00 0.00 C ATOM 1057 C VAL A 73 -6.800 5.207 2.987 1.00 0.00 C ATOM 1058 O VAL A 73 -7.405 5.601 1.990 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.516 4.207 3.089 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.691 2.950 2.855 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.113 5.307 2.118 1.00 0.00 C ATOM 0 H VAL A 73 -5.974 3.579 0.888 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.328 3.277 3.801 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.320 4.558 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.631 3.187 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.961 2.195 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.888 2.566 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.048 5.513 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.322 4.986 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.680 6.212 2.337 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.782 5.877 4.134 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.486 7.144 4.290 1.00 0.00 C ATOM 1073 C ALA A 74 -6.588 8.320 3.922 1.00 0.00 C ATOM 1074 O ALA A 74 -5.363 8.201 3.921 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.996 7.292 5.717 1.00 0.00 C ATOM 0 H ALA A 74 -6.288 5.564 4.969 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.338 7.145 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.520 8.242 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.680 6.474 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.154 7.265 6.409 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.206 9.455 3.610 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.461 10.653 3.242 1.00 0.00 C ATOM 1083 C ALA A 75 -5.234 10.830 4.128 1.00 0.00 C ATOM 1084 O ALA A 75 -4.113 10.952 3.635 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.359 11.879 3.327 1.00 0.00 C ATOM 0 H ALA A 75 -8.220 9.570 3.605 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.119 10.537 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.790 12.767 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.202 11.761 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.729 11.989 4.346 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.453 10.846 5.439 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.364 11.012 6.394 1.00 0.00 C ATOM 1093 C GLU A 76 -3.164 10.154 6.003 1.00 0.00 C ATOM 1094 O GLU A 76 -2.024 10.621 6.011 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.830 10.643 7.804 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.945 9.611 7.825 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.324 10.240 7.820 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.531 11.207 7.057 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.196 9.767 8.578 1.00 0.00 O ATOM 0 H GLU A 76 -6.375 10.746 5.864 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.061 12.059 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.981 10.260 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.171 11.545 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.845 8.957 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.839 8.985 8.711 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.428 8.897 5.663 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.371 7.974 5.269 1.00 0.00 C ATOM 1108 C ILE A 77 -1.887 8.265 3.852 1.00 0.00 C ATOM 1109 O ILE A 77 -0.702 8.511 3.628 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.844 6.510 5.348 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.263 6.163 6.778 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.745 5.573 4.870 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.220 6.515 7.815 1.00 0.00 C ATOM 0 H ILE A 77 -4.365 8.494 5.652 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.548 8.119 5.968 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.709 6.387 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.189 6.687 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.476 5.096 6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.094 4.542 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.490 5.809 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.863 5.696 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.585 6.241 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.299 5.971 7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.023 7.587 7.784 1.00 0.00 H new ATOM 1125 N MET A 78 -2.813 8.237 2.899 1.00 0.00 N ATOM 1126 CA MET A 78 -2.481 8.500 1.504 1.00 0.00 C ATOM 1127 C MET A 78 -1.454 9.622 1.392 1.00 0.00 C ATOM 1128 O MET A 78 -0.446 9.486 0.699 1.00 0.00 O ATOM 1129 CB MET A 78 -3.742 8.866 0.718 1.00 0.00 C ATOM 1130 CG MET A 78 -3.527 8.914 -0.786 1.00 0.00 C ATOM 1131 SD MET A 78 -3.364 7.274 -1.517 1.00 0.00 S ATOM 1132 CE MET A 78 -1.771 7.420 -2.324 1.00 0.00 C ATOM 0 H MET A 78 -3.798 8.035 3.067 1.00 0.00 H new ATOM 0 HA MET A 78 -2.049 7.593 1.082 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.524 8.140 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.102 9.837 1.057 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.364 9.434 -1.252 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.630 9.495 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.422 6.431 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.867 8.053 -3.206 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.053 7.865 -1.635 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.716 10.729 2.079 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.814 11.874 2.055 1.00 0.00 C ATOM 1144 C GLN A 79 0.634 11.430 2.231 1.00 0.00 C ATOM 1145 O GLN A 79 1.522 11.871 1.501 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.192 12.871 3.152 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.686 14.281 2.895 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.257 14.883 1.625 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -0.768 14.622 0.525 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.298 15.693 1.771 1.00 0.00 N ATOM 0 H GLN A 79 -2.545 10.857 2.659 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.910 12.360 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.277 12.896 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.794 12.519 4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.945 14.916 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.402 14.266 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.671 15.881 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.725 16.127 0.953 1.00 0.00 H new ATOM 1159 N ARG A 80 0.865 10.557 3.205 1.00 0.00 N ATOM 1160 CA ARG A 80 2.207 10.054 3.479 1.00 0.00 C ATOM 1161 C ARG A 80 2.837 9.472 2.216 1.00 0.00 C ATOM 1162 O ARG A 80 3.955 9.833 1.845 1.00 0.00 O ATOM 1163 CB ARG A 80 2.161 8.989 4.575 1.00 0.00 C ATOM 1164 CG ARG A 80 1.665 9.514 5.913 1.00 0.00 C ATOM 1165 CD ARG A 80 1.451 8.385 6.910 1.00 0.00 C ATOM 1166 NE ARG A 80 0.466 8.735 7.930 1.00 0.00 N ATOM 1167 CZ ARG A 80 0.696 9.608 8.905 1.00 0.00 C ATOM 1168 NH1 ARG A 80 1.871 10.217 8.990 1.00 0.00 N ATOM 1169 NH2 ARG A 80 -0.251 9.873 9.796 1.00 0.00 N ATOM 0 H ARG A 80 0.141 10.183 3.818 1.00 0.00 H new ATOM 0 HA ARG A 80 2.819 10.889 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.514 8.174 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.159 8.571 4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.386 10.225 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.730 10.056 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.122 7.491 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.399 8.141 7.390 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.448 8.285 7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.600 10.016 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.045 10.887 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.156 9.406 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.074 10.543 10.544 1.00 0.00 H new ATOM 1183 N TYR A 81 2.114 8.571 1.562 1.00 0.00 N ATOM 1184 CA TYR A 81 2.603 7.938 0.343 1.00 0.00 C ATOM 1185 C TYR A 81 3.013 8.984 -0.689 1.00 0.00 C ATOM 1186 O TYR A 81 4.159 9.017 -1.136 1.00 0.00 O ATOM 1187 CB TYR A 81 1.531 7.018 -0.245 1.00 0.00 C ATOM 1188 CG TYR A 81 1.965 6.312 -1.508 1.00 0.00 C ATOM 1189 CD1 TYR A 81 2.953 5.334 -1.477 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.390 6.621 -2.735 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.354 4.686 -2.629 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.783 5.977 -3.891 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.766 5.011 -3.834 1.00 0.00 C ATOM 1194 OH TYR A 81 3.162 4.368 -4.984 1.00 0.00 O ATOM 0 H TYR A 81 1.187 8.262 1.855 1.00 0.00 H new ATOM 0 HA TYR A 81 3.481 7.345 0.600 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.255 6.273 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.637 7.605 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.415 5.077 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.622 7.379 -2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.123 3.929 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.323 6.228 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 81 2.649 4.713 -5.745 1.00 0.00 H new ATOM 1204 N LYS A 82 2.066 9.839 -1.063 1.00 0.00 N ATOM 1205 CA LYS A 82 2.326 10.889 -2.039 1.00 0.00 C ATOM 1206 C LYS A 82 3.534 11.726 -1.631 1.00 0.00 C ATOM 1207 O LYS A 82 4.305 12.178 -2.477 1.00 0.00 O ATOM 1208 CB LYS A 82 1.097 11.788 -2.192 1.00 0.00 C ATOM 1209 CG LYS A 82 0.087 11.273 -3.202 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.003 12.295 -3.471 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.982 12.386 -2.311 1.00 0.00 C ATOM 1212 NZ LYS A 82 -2.588 13.742 -2.201 1.00 0.00 N ATOM 0 H LYS A 82 1.111 9.824 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 82 2.543 10.414 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.609 11.890 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.422 12.785 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.596 11.029 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.361 10.351 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.552 13.272 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.539 12.025 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.771 11.645 -2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.467 12.142 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.249 13.763 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.838 14.446 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.101 13.965 -3.078 1.00 0.00 H new ATOM 1226 N LYS A 83 3.694 11.928 -0.327 1.00 0.00 N ATOM 1227 CA LYS A 83 4.809 12.708 0.195 1.00 0.00 C ATOM 1228 C LYS A 83 6.137 12.004 -0.069 1.00 0.00 C ATOM 1229 O LYS A 83 7.151 12.651 -0.336 1.00 0.00 O ATOM 1230 CB LYS A 83 4.636 12.942 1.698 1.00 0.00 C ATOM 1231 CG LYS A 83 5.835 13.606 2.353 1.00 0.00 C ATOM 1232 CD LYS A 83 5.531 14.020 3.783 1.00 0.00 C ATOM 1233 CE LYS A 83 6.505 15.079 4.276 1.00 0.00 C ATOM 1234 NZ LYS A 83 7.855 14.508 4.542 1.00 0.00 N ATOM 0 H LYS A 83 3.065 11.562 0.387 1.00 0.00 H new ATOM 0 HA LYS A 83 4.818 13.669 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.754 13.561 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.449 11.986 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.682 12.920 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.128 14.482 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.513 14.405 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.581 13.147 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.586 15.872 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.117 15.534 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.490 15.260 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.782 13.768 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.236 14.096 3.666 1.00 0.00 H new ATOM 1248 N LEU A 84 6.123 10.678 0.004 1.00 0.00 N ATOM 1249 CA LEU A 84 7.326 9.886 -0.230 1.00 0.00 C ATOM 1250 C LEU A 84 7.843 10.087 -1.651 1.00 0.00 C ATOM 1251 O LEU A 84 9.005 10.435 -1.854 1.00 0.00 O ATOM 1252 CB LEU A 84 7.041 8.404 0.016 1.00 0.00 C ATOM 1253 CG LEU A 84 7.284 7.901 1.439 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.677 6.519 1.628 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.773 7.877 1.749 1.00 0.00 C ATOM 0 H LEU A 84 5.292 10.128 0.223 1.00 0.00 H new ATOM 0 HA LEU A 84 8.093 10.223 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.001 8.206 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.658 7.818 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 84 6.799 8.587 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.860 6.177 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.603 6.566 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.133 5.822 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.927 7.516 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.280 7.214 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.180 8.884 1.655 1.00 0.00 H new ATOM 1267 N GLN A 85 6.971 9.868 -2.629 1.00 0.00 N ATOM 1268 CA GLN A 85 7.339 10.026 -4.030 1.00 0.00 C ATOM 1269 C GLN A 85 7.841 11.439 -4.305 1.00 0.00 C ATOM 1270 O GLN A 85 8.989 11.636 -4.703 1.00 0.00 O ATOM 1271 CB GLN A 85 6.144 9.713 -4.933 1.00 0.00 C ATOM 1272 CG GLN A 85 5.738 8.249 -4.917 1.00 0.00 C ATOM 1273 CD GLN A 85 6.604 7.393 -5.821 1.00 0.00 C ATOM 1274 OE1 GLN A 85 7.309 7.905 -6.690 1.00 0.00 O ATOM 1275 NE2 GLN A 85 6.556 6.082 -5.618 1.00 0.00 N ATOM 0 H GLN A 85 6.004 9.581 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 85 8.144 9.324 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.294 10.321 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.386 10.003 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.799 7.870 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.697 8.161 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.957 5.701 -4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.118 5.456 -6.194 1.00 0.00 H new ATOM 1284 N PHE A 86 6.973 12.423 -4.089 1.00 0.00 N ATOM 1285 CA PHE A 86 7.328 13.820 -4.314 1.00 0.00 C ATOM 1286 C PHE A 86 8.789 14.074 -3.955 1.00 0.00 C ATOM 1287 O PHE A 86 9.568 14.550 -4.780 1.00 0.00 O ATOM 1288 CB PHE A 86 6.422 14.737 -3.491 1.00 0.00 C ATOM 1289 CG PHE A 86 6.836 16.181 -3.531 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.969 16.609 -2.860 1.00 0.00 C ATOM 1291 CD2 PHE A 86 6.091 17.109 -4.241 1.00 0.00 C ATOM 1292 CE1 PHE A 86 8.351 17.937 -2.894 1.00 0.00 C ATOM 1293 CE2 PHE A 86 6.468 18.438 -4.279 1.00 0.00 C ATOM 1294 CZ PHE A 86 7.601 18.852 -3.606 1.00 0.00 C ATOM 0 H PHE A 86 6.019 12.279 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 86 7.189 14.039 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.400 14.650 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.418 14.397 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.561 15.897 -2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.206 16.790 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.235 18.259 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.878 19.152 -4.834 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.900 19.889 -3.637 1.00 0.00 H new