USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 54 MET CE :methyl -163:sc= -0.771 (180deg=-1.18) USER MOD Set 1.2: A 58 CYS SG : rot 29:sc= -3.72! USER MOD Set 2.1: A 25 LYS NZ :NH3+ 155:sc= 0.0049 (180deg=0) USER MOD Set 2.2: A 27 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.279 X(o=0.28,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -47:sc= 0.0708 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -0.578 (180deg=-2.41!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.593 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 46 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -7.05! C(o=-7!,f=-10!) USER MOD Single : A 60 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 63 THR OG1 : rot 150:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 71 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.31) USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00982) USER MOD Single : A 80 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 83 GLN : amide:sc= -3.63! C(o=-3.6!,f=-6!) USER MOD Single : A 86 CYS SG : rot 33:sc= -1.11 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -18:sc= 0.414 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 102 CYS SG : rot -139:sc= 0.838 USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0589) USER MOD Single : A 108 THR OG1 : rot 80:sc= 0.398 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 112 SER OG : rot 79:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.713 -2.385 -7.450 1.00 0.00 N ATOM 67 CA PHE A 8 -11.687 -1.660 -6.709 1.00 0.00 C ATOM 68 C PHE A 8 -11.235 -0.421 -7.476 1.00 0.00 C ATOM 69 O PHE A 8 -10.960 -0.486 -8.675 1.00 0.00 O ATOM 70 CB PHE A 8 -10.488 -2.570 -6.434 1.00 0.00 C ATOM 71 CG PHE A 8 -10.874 -3.948 -5.976 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.582 -4.128 -4.799 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.528 -5.062 -6.723 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.937 -5.395 -4.376 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.881 -6.332 -6.305 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.587 -6.498 -5.130 1.00 0.00 C ATOM 0 HA PHE A 8 -12.117 -1.341 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.889 -2.652 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.857 -2.107 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.859 -3.269 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.976 -4.937 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.488 -5.523 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.605 -7.192 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.865 -7.488 -4.801 1.00 0.00 H new ATOM 86 N VAL A 9 -11.160 0.706 -6.777 1.00 0.00 N ATOM 87 CA VAL A 9 -10.740 1.960 -7.391 1.00 0.00 C ATOM 88 C VAL A 9 -9.519 1.755 -8.280 1.00 0.00 C ATOM 89 O VAL A 9 -9.546 2.064 -9.472 1.00 0.00 O ATOM 90 CB VAL A 9 -10.414 3.025 -6.326 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.183 4.379 -6.979 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.527 3.104 -5.293 1.00 0.00 C ATOM 0 H VAL A 9 -11.385 0.777 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.574 2.309 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.496 2.734 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.954 5.119 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.348 4.309 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.081 4.681 -7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.280 3.861 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.462 3.371 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.638 2.137 -4.803 1.00 0.00 H new ATOM 102 N LYS A 10 -8.448 1.232 -7.694 1.00 0.00 N ATOM 103 CA LYS A 10 -7.216 0.983 -8.432 1.00 0.00 C ATOM 104 C LYS A 10 -6.484 -0.234 -7.875 1.00 0.00 C ATOM 105 O LYS A 10 -6.474 -0.464 -6.666 1.00 0.00 O ATOM 106 CB LYS A 10 -6.304 2.210 -8.373 1.00 0.00 C ATOM 107 CG LYS A 10 -4.953 1.998 -9.033 1.00 0.00 C ATOM 108 CD LYS A 10 -4.075 3.232 -8.917 1.00 0.00 C ATOM 109 CE LYS A 10 -2.598 2.873 -8.976 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.168 2.517 -10.356 1.00 0.00 N ATOM 0 H LYS A 10 -8.408 0.972 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.479 0.783 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.806 3.049 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.150 2.487 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.451 1.148 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.096 1.750 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.314 3.927 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.289 3.745 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.005 3.714 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.401 2.035 -8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.156 2.279 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.716 1.698 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.332 3.325 -10.990 1.00 0.00 H new ATOM 124 N SER A 11 -5.873 -1.010 -8.765 1.00 0.00 N ATOM 125 CA SER A 11 -5.140 -2.205 -8.362 1.00 0.00 C ATOM 126 C SER A 11 -3.779 -2.265 -9.048 1.00 0.00 C ATOM 127 O SER A 11 -3.648 -1.928 -10.224 1.00 0.00 O ATOM 128 CB SER A 11 -5.948 -3.460 -8.696 1.00 0.00 C ATOM 129 OG SER A 11 -6.276 -3.505 -10.074 1.00 0.00 O ATOM 0 H SER A 11 -5.871 -0.833 -9.769 1.00 0.00 H new ATOM 0 HA SER A 11 -4.982 -2.159 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.375 -4.347 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.861 -3.477 -8.101 1.00 0.00 H new ATOM 0 HG SER A 11 -6.791 -4.318 -10.261 1.00 0.00 H new ATOM 135 N GLY A 12 -2.766 -2.697 -8.302 1.00 0.00 N ATOM 136 CA GLY A 12 -1.427 -2.793 -8.854 1.00 0.00 C ATOM 137 C GLY A 12 -0.466 -3.502 -7.921 1.00 0.00 C ATOM 138 O GLY A 12 -0.767 -3.705 -6.745 1.00 0.00 O ATOM 0 H GLY A 12 -2.849 -2.982 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.466 -3.326 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.052 -1.792 -9.065 1.00 0.00 H new ATOM 142 N TRP A 13 0.693 -3.882 -8.447 1.00 0.00 N ATOM 143 CA TRP A 13 1.702 -4.575 -7.653 1.00 0.00 C ATOM 144 C TRP A 13 2.467 -3.595 -6.770 1.00 0.00 C ATOM 145 O TRP A 13 2.748 -2.466 -7.177 1.00 0.00 O ATOM 146 CB TRP A 13 2.674 -5.324 -8.566 1.00 0.00 C ATOM 147 CG TRP A 13 2.116 -6.608 -9.101 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.784 -6.881 -10.397 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.823 -7.793 -8.352 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.303 -8.164 -10.499 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.317 -8.745 -9.259 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.940 -8.143 -7.004 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.929 -10.021 -8.859 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.555 -9.410 -6.609 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.055 -10.336 -7.534 1.00 0.00 C ATOM 0 H TRP A 13 0.958 -3.722 -9.419 1.00 0.00 H new ATOM 0 HA TRP A 13 1.192 -5.293 -7.010 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.947 -4.679 -9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.590 -5.536 -8.014 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.885 -6.190 -11.221 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.987 -8.611 -11.359 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.324 -7.436 -6.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.542 -10.736 -9.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.641 -9.691 -5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.763 -11.319 -7.194 1.00 0.00 H new ATOM 166 N LEU A 14 2.803 -4.032 -5.562 1.00 0.00 N ATOM 167 CA LEU A 14 3.537 -3.193 -4.621 1.00 0.00 C ATOM 168 C LEU A 14 4.260 -4.043 -3.581 1.00 0.00 C ATOM 169 O LEU A 14 3.735 -5.057 -3.119 1.00 0.00 O ATOM 170 CB LEU A 14 2.585 -2.218 -3.927 1.00 0.00 C ATOM 171 CG LEU A 14 1.716 -1.359 -4.846 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.662 -0.614 -4.041 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.577 -0.381 -5.633 1.00 0.00 C ATOM 0 H LEU A 14 2.579 -4.963 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 14 4.282 -2.628 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.929 -2.788 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.174 -1.555 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 14 1.208 -2.016 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.053 -0.008 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.026 -1.331 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.151 0.032 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.942 0.222 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.112 0.270 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.294 -0.934 -6.240 1.00 0.00 H new ATOM 185 N LEU A 15 5.466 -3.623 -3.216 1.00 0.00 N ATOM 186 CA LEU A 15 6.261 -4.345 -2.228 1.00 0.00 C ATOM 187 C LEU A 15 5.887 -3.919 -0.812 1.00 0.00 C ATOM 188 O LEU A 15 5.538 -2.763 -0.573 1.00 0.00 O ATOM 189 CB LEU A 15 7.752 -4.104 -2.469 1.00 0.00 C ATOM 190 CG LEU A 15 8.297 -4.569 -3.820 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.637 -3.910 -4.110 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.428 -6.085 -3.849 1.00 0.00 C ATOM 0 H LEU A 15 5.915 -2.787 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 15 6.050 -5.409 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.948 -3.036 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.313 -4.607 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 15 7.593 -4.271 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.010 -4.253 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.513 -2.827 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.350 -4.177 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.817 -6.398 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.111 -6.406 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.450 -6.538 -3.687 1.00 0.00 H new ATOM 204 N ARG A 16 5.966 -4.859 0.124 1.00 0.00 N ATOM 205 CA ARG A 16 5.637 -4.581 1.517 1.00 0.00 C ATOM 206 C ARG A 16 6.664 -5.209 2.454 1.00 0.00 C ATOM 207 O ARG A 16 7.098 -6.341 2.244 1.00 0.00 O ATOM 208 CB ARG A 16 4.239 -5.107 1.848 1.00 0.00 C ATOM 209 CG ARG A 16 3.857 -4.941 3.310 1.00 0.00 C ATOM 210 CD ARG A 16 2.401 -5.308 3.550 1.00 0.00 C ATOM 211 NE ARG A 16 2.227 -6.742 3.768 1.00 0.00 N ATOM 212 CZ ARG A 16 2.384 -7.329 4.949 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.717 -6.610 6.012 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.208 -8.639 5.068 1.00 0.00 N ATOM 0 H ARG A 16 6.255 -5.820 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 16 5.654 -3.500 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.508 -4.587 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.186 -6.163 1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.498 -5.569 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.029 -3.909 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.027 -4.762 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.803 -4.996 2.694 1.00 0.00 H new ATOM 0 HE ARG A 16 1.971 -7.324 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.853 -5.603 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.837 -7.064 6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.952 -9.195 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.329 -9.089 5.975 1.00 0.00 H new ATOM 228 N GLN A 17 7.048 -4.465 3.486 1.00 0.00 N ATOM 229 CA GLN A 17 8.026 -4.949 4.454 1.00 0.00 C ATOM 230 C GLN A 17 7.345 -5.747 5.562 1.00 0.00 C ATOM 231 O GLN A 17 6.742 -5.177 6.471 1.00 0.00 O ATOM 232 CB GLN A 17 8.802 -3.777 5.057 1.00 0.00 C ATOM 233 CG GLN A 17 10.108 -4.187 5.717 1.00 0.00 C ATOM 234 CD GLN A 17 10.855 -3.011 6.314 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.136 -2.983 7.512 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.181 -2.031 5.479 1.00 0.00 N ATOM 0 H GLN A 17 6.697 -3.526 3.674 1.00 0.00 H new ATOM 0 HA GLN A 17 8.722 -5.606 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.014 -3.050 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.174 -3.277 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.901 -4.917 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.743 -4.680 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.928 -2.096 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.684 -1.214 5.824 1.00 0.00 H new ATOM 245 N SER A 18 7.447 -7.070 5.479 1.00 0.00 N ATOM 246 CA SER A 18 6.837 -7.947 6.472 1.00 0.00 C ATOM 247 C SER A 18 7.621 -7.912 7.781 1.00 0.00 C ATOM 248 O SER A 18 8.831 -7.684 7.788 1.00 0.00 O ATOM 249 CB SER A 18 6.769 -9.381 5.943 1.00 0.00 C ATOM 250 OG SER A 18 5.553 -9.613 5.253 1.00 0.00 O ATOM 0 H SER A 18 7.946 -7.558 4.735 1.00 0.00 H new ATOM 0 HA SER A 18 5.825 -7.590 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.611 -9.566 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.860 -10.083 6.772 1.00 0.00 H new ATOM 0 HG SER A 18 5.535 -10.536 4.923 1.00 0.00 H new ATOM 256 N THR A 19 6.921 -8.140 8.888 1.00 0.00 N ATOM 257 CA THR A 19 7.549 -8.134 10.203 1.00 0.00 C ATOM 258 C THR A 19 8.188 -9.482 10.514 1.00 0.00 C ATOM 259 O THR A 19 8.849 -9.645 11.540 1.00 0.00 O ATOM 260 CB THR A 19 6.532 -7.793 11.309 1.00 0.00 C ATOM 261 OG1 THR A 19 7.216 -7.318 12.474 1.00 0.00 O ATOM 262 CG2 THR A 19 5.694 -9.011 11.668 1.00 0.00 C ATOM 0 H THR A 19 5.919 -8.331 8.900 1.00 0.00 H new ATOM 0 HA THR A 19 8.322 -7.366 10.180 1.00 0.00 H new ATOM 0 HB THR A 19 5.869 -7.013 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.970 -7.911 12.675 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.983 -8.746 12.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.152 -9.352 10.786 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.346 -9.809 12.025 1.00 0.00 H new ATOM 270 N ILE A 20 7.987 -10.446 9.622 1.00 0.00 N ATOM 271 CA ILE A 20 8.545 -11.781 9.801 1.00 0.00 C ATOM 272 C ILE A 20 9.813 -11.962 8.974 1.00 0.00 C ATOM 273 O ILE A 20 10.840 -12.414 9.482 1.00 0.00 O ATOM 274 CB ILE A 20 7.531 -12.873 9.412 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.219 -12.676 10.174 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.108 -14.253 9.686 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.225 -11.797 9.449 1.00 0.00 C ATOM 0 H ILE A 20 7.442 -10.328 8.768 1.00 0.00 H new ATOM 0 HA ILE A 20 8.786 -11.882 10.859 1.00 0.00 H new ATOM 0 HB ILE A 20 7.324 -12.793 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.765 -13.650 10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.436 -12.238 11.148 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.380 -15.014 9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.018 -14.389 9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.340 -14.346 10.747 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.319 -11.702 10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.660 -10.810 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.978 -12.244 8.486 1.00 0.00 H new ATOM 289 N LEU A 21 9.736 -11.604 7.697 1.00 0.00 N ATOM 290 CA LEU A 21 10.878 -11.724 6.798 1.00 0.00 C ATOM 291 C LEU A 21 11.707 -10.444 6.795 1.00 0.00 C ATOM 292 O LEU A 21 12.797 -10.397 6.224 1.00 0.00 O ATOM 293 CB LEU A 21 10.404 -12.041 5.378 1.00 0.00 C ATOM 294 CG LEU A 21 9.355 -13.146 5.252 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.619 -13.035 3.926 1.00 0.00 C ATOM 296 CD2 LEU A 21 10.003 -14.516 5.392 1.00 0.00 C ATOM 0 H LEU A 21 8.894 -11.228 7.261 1.00 0.00 H new ATOM 0 HA LEU A 21 11.505 -12.540 7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.997 -11.130 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.272 -12.321 4.781 1.00 0.00 H new ATOM 0 HG LEU A 21 8.630 -13.026 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.876 -13.830 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.121 -12.067 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.331 -13.129 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.241 -15.290 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.750 -14.647 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.483 -14.594 6.368 1.00 0.00 H new ATOM 308 N LYS A 22 11.184 -9.405 7.439 1.00 0.00 N ATOM 309 CA LYS A 22 11.876 -8.124 7.515 1.00 0.00 C ATOM 310 C LYS A 22 12.471 -7.746 6.163 1.00 0.00 C ATOM 311 O LYS A 22 13.584 -7.226 6.087 1.00 0.00 O ATOM 312 CB LYS A 22 12.980 -8.180 8.573 1.00 0.00 C ATOM 313 CG LYS A 22 12.456 -8.284 9.995 1.00 0.00 C ATOM 314 CD LYS A 22 12.102 -9.717 10.354 1.00 0.00 C ATOM 315 CE LYS A 22 13.332 -10.507 10.775 1.00 0.00 C ATOM 316 NZ LYS A 22 13.706 -10.238 12.190 1.00 0.00 N ATOM 0 H LYS A 22 10.283 -9.426 7.916 1.00 0.00 H new ATOM 0 HA LYS A 22 11.149 -7.363 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.624 -9.035 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.599 -7.287 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.208 -7.909 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.575 -7.652 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.372 -9.721 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.632 -10.202 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.141 -11.572 10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.168 -10.252 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.548 -10.795 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.913 -9.226 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.918 -10.505 12.814 1.00 0.00 H new ATOM 330 N ARG A 23 11.721 -8.009 5.097 1.00 0.00 N ATOM 331 CA ARG A 23 12.175 -7.696 3.747 1.00 0.00 C ATOM 332 C ARG A 23 11.009 -7.244 2.873 1.00 0.00 C ATOM 333 O ARG A 23 9.847 -7.358 3.263 1.00 0.00 O ATOM 334 CB ARG A 23 12.856 -8.914 3.120 1.00 0.00 C ATOM 335 CG ARG A 23 11.892 -10.033 2.762 1.00 0.00 C ATOM 336 CD ARG A 23 12.609 -11.190 2.084 1.00 0.00 C ATOM 337 NE ARG A 23 13.205 -10.794 0.810 1.00 0.00 N ATOM 338 CZ ARG A 23 14.404 -10.234 0.703 1.00 0.00 C ATOM 339 NH1 ARG A 23 15.133 -10.006 1.787 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.878 -9.902 -0.491 1.00 0.00 N ATOM 0 H ARG A 23 10.797 -8.438 5.142 1.00 0.00 H new ATOM 0 HA ARG A 23 12.895 -6.880 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.386 -8.601 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.604 -9.298 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.396 -10.390 3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.115 -9.648 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.387 -11.572 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.905 -12.005 1.917 1.00 0.00 H new ATOM 0 HE ARG A 23 12.671 -10.957 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.773 -10.261 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.054 -9.576 1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.321 -10.077 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.799 -9.472 -0.572 1.00 0.00 H new ATOM 354 N TRP A 24 11.328 -6.732 1.690 1.00 0.00 N ATOM 355 CA TRP A 24 10.307 -6.263 0.760 1.00 0.00 C ATOM 356 C TRP A 24 9.829 -7.396 -0.141 1.00 0.00 C ATOM 357 O TRP A 24 10.614 -7.982 -0.888 1.00 0.00 O ATOM 358 CB TRP A 24 10.851 -5.113 -0.089 1.00 0.00 C ATOM 359 CG TRP A 24 11.262 -3.920 0.719 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.505 -3.657 1.219 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.426 -2.829 1.122 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.493 -2.469 1.909 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.230 -1.940 1.863 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.079 -2.515 0.927 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.728 -0.762 2.409 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.582 -1.345 1.469 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.405 -0.480 2.202 1.00 0.00 C ATOM 0 H TRP A 24 12.285 -6.631 1.352 1.00 0.00 H new ATOM 0 HA TRP A 24 9.458 -5.905 1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.708 -5.468 -0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.090 -4.811 -0.808 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.371 -4.290 1.091 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.295 -2.049 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.437 -3.175 0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.360 -0.094 2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.542 -1.093 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.987 0.428 2.612 1.00 0.00 H new ATOM 378 N LYS A 25 8.538 -7.700 -0.068 1.00 0.00 N ATOM 379 CA LYS A 25 7.955 -8.763 -0.879 1.00 0.00 C ATOM 380 C LYS A 25 6.798 -8.232 -1.720 1.00 0.00 C ATOM 381 O LYS A 25 5.935 -7.509 -1.222 1.00 0.00 O ATOM 382 CB LYS A 25 7.468 -9.905 0.015 1.00 0.00 C ATOM 383 CG LYS A 25 6.404 -9.485 1.013 1.00 0.00 C ATOM 384 CD LYS A 25 5.812 -10.684 1.736 1.00 0.00 C ATOM 385 CE LYS A 25 5.337 -11.746 0.757 1.00 0.00 C ATOM 386 NZ LYS A 25 4.190 -12.526 1.298 1.00 0.00 N ATOM 0 H LYS A 25 7.875 -7.225 0.545 1.00 0.00 H new ATOM 0 HA LYS A 25 8.727 -9.140 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.071 -10.702 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.319 -10.319 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.837 -8.798 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.612 -8.944 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.559 -11.112 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.977 -10.360 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.044 -11.271 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.160 -12.423 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.634 -12.918 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.547 -13.303 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.586 -11.903 1.872 1.00 0.00 H new ATOM 400 N LYS A 26 6.786 -8.598 -2.998 1.00 0.00 N ATOM 401 CA LYS A 26 5.734 -8.162 -3.908 1.00 0.00 C ATOM 402 C LYS A 26 4.369 -8.660 -3.442 1.00 0.00 C ATOM 403 O LYS A 26 4.193 -9.846 -3.167 1.00 0.00 O ATOM 404 CB LYS A 26 6.016 -8.666 -5.325 1.00 0.00 C ATOM 405 CG LYS A 26 5.285 -7.887 -6.405 1.00 0.00 C ATOM 406 CD LYS A 26 6.025 -6.610 -6.768 1.00 0.00 C ATOM 407 CE LYS A 26 5.528 -5.427 -5.951 1.00 0.00 C ATOM 408 NZ LYS A 26 5.798 -4.130 -6.631 1.00 0.00 N ATOM 0 H LYS A 26 7.493 -9.195 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 26 5.721 -7.072 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.088 -8.613 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.732 -9.716 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.175 -8.510 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.280 -7.641 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.093 -6.747 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.894 -6.401 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.457 -5.530 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.011 -5.432 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.018 -3.404 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.606 -4.238 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.958 -3.840 -7.172 1.00 0.00 H new ATOM 422 N ASN A 27 3.408 -7.747 -3.358 1.00 0.00 N ATOM 423 CA ASN A 27 2.059 -8.095 -2.926 1.00 0.00 C ATOM 424 C ASN A 27 1.014 -7.426 -3.814 1.00 0.00 C ATOM 425 O ASN A 27 1.322 -6.497 -4.561 1.00 0.00 O ATOM 426 CB ASN A 27 1.845 -7.682 -1.468 1.00 0.00 C ATOM 427 CG ASN A 27 2.782 -8.404 -0.519 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.649 -7.790 0.103 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.612 -9.716 -0.404 1.00 0.00 N ATOM 0 H ASN A 27 3.538 -6.761 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 27 1.945 -9.176 -3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.993 -6.606 -1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.813 -7.888 -1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.213 -10.255 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.880 -10.184 -0.939 1.00 0.00 H new ATOM 436 N TRP A 28 -0.222 -7.904 -3.726 1.00 0.00 N ATOM 437 CA TRP A 28 -1.313 -7.352 -4.521 1.00 0.00 C ATOM 438 C TRP A 28 -2.226 -6.483 -3.663 1.00 0.00 C ATOM 439 O TRP A 28 -2.757 -6.936 -2.649 1.00 0.00 O ATOM 440 CB TRP A 28 -2.121 -8.479 -5.168 1.00 0.00 C ATOM 441 CG TRP A 28 -3.130 -7.991 -6.162 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.489 -8.072 -6.057 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.860 -7.348 -7.413 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.080 -7.518 -7.167 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.103 -7.066 -8.013 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.690 -6.982 -8.083 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.205 -6.437 -9.251 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.793 -6.357 -9.311 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.043 -6.089 -9.885 1.00 0.00 C ATOM 0 H TRP A 28 -0.494 -8.672 -3.112 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.880 -6.729 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.437 -9.168 -5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.633 -9.043 -4.388 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.021 -8.507 -5.224 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.084 -7.454 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.722 -7.184 -7.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.167 -6.231 -9.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.895 -6.070 -9.837 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.090 -5.598 -10.846 1.00 0.00 H new ATOM 460 N PHE A 29 -2.404 -5.233 -4.077 1.00 0.00 N ATOM 461 CA PHE A 29 -3.253 -4.299 -3.345 1.00 0.00 C ATOM 462 C PHE A 29 -4.492 -3.938 -4.159 1.00 0.00 C ATOM 463 O PHE A 29 -4.483 -4.008 -5.388 1.00 0.00 O ATOM 464 CB PHE A 29 -2.471 -3.032 -2.996 1.00 0.00 C ATOM 465 CG PHE A 29 -1.446 -3.238 -1.918 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.259 -3.899 -2.189 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.670 -2.770 -0.633 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.686 -4.090 -1.199 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.727 -2.958 0.361 1.00 0.00 C ATOM 470 CZ PHE A 29 0.451 -3.619 0.078 1.00 0.00 C ATOM 0 H PHE A 29 -1.972 -4.843 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.574 -4.784 -2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.974 -2.663 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.171 -2.259 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.070 -4.269 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.591 -2.253 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.607 -4.607 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.912 -2.588 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.188 -3.768 0.854 1.00 0.00 H new ATOM 480 N ASP A 30 -5.557 -3.552 -3.465 1.00 0.00 N ATOM 481 CA ASP A 30 -6.804 -3.179 -4.122 1.00 0.00 C ATOM 482 C ASP A 30 -7.639 -2.269 -3.227 1.00 0.00 C ATOM 483 O ASP A 30 -8.023 -2.651 -2.120 1.00 0.00 O ATOM 484 CB ASP A 30 -7.606 -4.429 -4.489 1.00 0.00 C ATOM 485 CG ASP A 30 -6.905 -5.283 -5.528 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.960 -6.012 -5.158 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.301 -5.222 -6.710 1.00 0.00 O ATOM 0 H ASP A 30 -5.582 -3.489 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.557 -2.635 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.779 -5.023 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.584 -4.131 -4.867 1.00 0.00 H new ATOM 492 N LEU A 31 -7.916 -1.064 -3.711 1.00 0.00 N ATOM 493 CA LEU A 31 -8.705 -0.098 -2.955 1.00 0.00 C ATOM 494 C LEU A 31 -10.181 -0.185 -3.331 1.00 0.00 C ATOM 495 O LEU A 31 -10.523 -0.366 -4.500 1.00 0.00 O ATOM 496 CB LEU A 31 -8.187 1.320 -3.203 1.00 0.00 C ATOM 497 CG LEU A 31 -8.591 2.373 -2.171 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.726 2.260 -0.925 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.492 3.770 -2.767 1.00 0.00 C ATOM 0 H LEU A 31 -7.606 -0.732 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.605 -0.335 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.099 1.285 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.537 1.647 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.628 2.194 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.029 3.018 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.848 1.270 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.680 2.411 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.783 4.507 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.466 3.959 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.156 3.846 -3.628 1.00 0.00 H new ATOM 511 N TRP A 32 -11.049 -0.054 -2.335 1.00 0.00 N ATOM 512 CA TRP A 32 -12.488 -0.116 -2.563 1.00 0.00 C ATOM 513 C TRP A 32 -13.072 1.281 -2.737 1.00 0.00 C ATOM 514 O TRP A 32 -12.384 2.282 -2.534 1.00 0.00 O ATOM 515 CB TRP A 32 -13.179 -0.830 -1.399 1.00 0.00 C ATOM 516 CG TRP A 32 -12.853 -2.291 -1.321 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.617 -2.861 -1.424 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.779 -3.365 -1.126 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.718 -4.227 -1.305 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.033 -4.561 -1.120 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.164 -3.435 -0.953 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.629 -5.808 -0.950 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.753 -4.673 -0.785 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.986 -5.846 -0.783 1.00 0.00 C ATOM 0 H TRP A 32 -10.782 0.096 -1.362 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.662 -0.679 -3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.889 -0.350 -0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.258 -0.710 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.695 -2.319 -1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.940 -4.885 -1.348 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.763 -2.537 -0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.040 -6.713 -0.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.823 -4.738 -0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.476 -6.799 -0.647 1.00 0.00 H new ATOM 535 N SER A 33 -14.346 1.343 -3.114 1.00 0.00 N ATOM 536 CA SER A 33 -15.021 2.619 -3.318 1.00 0.00 C ATOM 537 C SER A 33 -15.350 3.280 -1.983 1.00 0.00 C ATOM 538 O SER A 33 -15.513 4.498 -1.904 1.00 0.00 O ATOM 539 CB SER A 33 -16.302 2.418 -4.129 1.00 0.00 C ATOM 540 OG SER A 33 -17.274 1.709 -3.380 1.00 0.00 O ATOM 0 H SER A 33 -14.931 0.525 -3.284 1.00 0.00 H new ATOM 0 HA SER A 33 -14.347 3.273 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.703 3.387 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.075 1.872 -5.045 1.00 0.00 H new ATOM 0 HG SER A 33 -18.084 1.595 -3.920 1.00 0.00 H new ATOM 546 N ASP A 34 -15.445 2.469 -0.936 1.00 0.00 N ATOM 547 CA ASP A 34 -15.753 2.973 0.397 1.00 0.00 C ATOM 548 C ASP A 34 -14.478 3.354 1.142 1.00 0.00 C ATOM 549 O ASP A 34 -14.526 3.807 2.285 1.00 0.00 O ATOM 550 CB ASP A 34 -16.531 1.925 1.195 1.00 0.00 C ATOM 551 CG ASP A 34 -16.160 0.508 0.806 1.00 0.00 C ATOM 552 OD1 ASP A 34 -15.029 0.303 0.318 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.001 -0.397 0.990 1.00 0.00 O ATOM 0 H ASP A 34 -15.313 1.459 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.369 3.866 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.341 2.068 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.600 2.073 1.039 1.00 0.00 H new ATOM 558 N GLY A 35 -13.336 3.166 0.486 1.00 0.00 N ATOM 559 CA GLY A 35 -12.064 3.493 1.103 1.00 0.00 C ATOM 560 C GLY A 35 -11.331 2.266 1.606 1.00 0.00 C ATOM 561 O GLY A 35 -10.101 2.253 1.676 1.00 0.00 O ATOM 0 H GLY A 35 -13.270 2.793 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.437 4.016 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.232 4.178 1.934 1.00 0.00 H new ATOM 565 N HIS A 36 -12.086 1.231 1.960 1.00 0.00 N ATOM 566 CA HIS A 36 -11.500 -0.007 2.462 1.00 0.00 C ATOM 567 C HIS A 36 -10.423 -0.522 1.512 1.00 0.00 C ATOM 568 O HIS A 36 -10.609 -0.537 0.294 1.00 0.00 O ATOM 569 CB HIS A 36 -12.583 -1.070 2.648 1.00 0.00 C ATOM 570 CG HIS A 36 -13.209 -1.056 4.009 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.427 -0.467 4.270 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.778 -1.565 5.186 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.718 -0.612 5.551 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.734 -1.276 6.129 1.00 0.00 N ATOM 0 H HIS A 36 -13.105 1.225 1.909 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.039 0.203 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.360 -0.920 1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.150 -2.054 2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.854 -2.099 5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.609 -0.249 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.691 -1.533 7.115 1.00 0.00 H new ATOM 583 N LEU A 37 -9.296 -0.943 2.076 1.00 0.00 N ATOM 584 CA LEU A 37 -8.188 -1.458 1.279 1.00 0.00 C ATOM 585 C LEU A 37 -7.893 -2.912 1.632 1.00 0.00 C ATOM 586 O LEU A 37 -7.745 -3.258 2.805 1.00 0.00 O ATOM 587 CB LEU A 37 -6.937 -0.605 1.497 1.00 0.00 C ATOM 588 CG LEU A 37 -5.638 -1.155 0.908 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.683 -1.119 -0.612 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.442 -0.370 1.426 1.00 0.00 C ATOM 0 H LEU A 37 -9.126 -0.938 3.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.475 -1.409 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.116 0.382 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.797 -0.469 2.569 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.530 -2.193 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.750 -1.514 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.516 -1.726 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.815 -0.091 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.526 -0.776 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.543 0.677 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.398 -0.448 2.512 1.00 0.00 H new ATOM 602 N ILE A 38 -7.807 -3.758 0.611 1.00 0.00 N ATOM 603 CA ILE A 38 -7.527 -5.174 0.815 1.00 0.00 C ATOM 604 C ILE A 38 -6.467 -5.670 -0.163 1.00 0.00 C ATOM 605 O ILE A 38 -6.540 -5.403 -1.363 1.00 0.00 O ATOM 606 CB ILE A 38 -8.798 -6.029 0.654 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.958 -5.407 1.434 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.541 -7.453 1.121 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.263 -6.155 1.273 1.00 0.00 C ATOM 0 H ILE A 38 -7.927 -3.488 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.156 -5.279 1.835 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.068 -6.058 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.697 -5.372 2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.096 -4.377 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.449 -8.045 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.740 -7.892 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.250 -7.444 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.041 -5.659 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.547 -6.168 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.142 -7.178 1.629 1.00 0.00 H new ATOM 621 N TYR A 39 -5.483 -6.396 0.357 1.00 0.00 N ATOM 622 CA TYR A 39 -4.408 -6.930 -0.470 1.00 0.00 C ATOM 623 C TYR A 39 -4.351 -8.451 -0.374 1.00 0.00 C ATOM 624 O TYR A 39 -4.878 -9.046 0.566 1.00 0.00 O ATOM 625 CB TYR A 39 -3.065 -6.331 -0.047 1.00 0.00 C ATOM 626 CG TYR A 39 -2.999 -5.970 1.420 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.832 -4.995 1.955 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.103 -6.606 2.272 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.773 -4.663 3.295 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.039 -6.281 3.613 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.876 -5.308 4.119 1.00 0.00 C ATOM 632 OH TYR A 39 -2.816 -4.981 5.455 1.00 0.00 O ATOM 0 H TYR A 39 -5.408 -6.628 1.347 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.611 -6.656 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.271 -7.043 -0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.871 -5.438 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.537 -4.488 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.446 -7.367 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.427 -3.902 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.338 -6.786 4.261 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.699 -4.684 5.759 1.00 0.00 H new ATOM 642 N TYR A 40 -3.708 -9.075 -1.355 1.00 0.00 N ATOM 643 CA TYR A 40 -3.583 -10.528 -1.384 1.00 0.00 C ATOM 644 C TYR A 40 -2.129 -10.945 -1.585 1.00 0.00 C ATOM 645 O TYR A 40 -1.302 -10.155 -2.039 1.00 0.00 O ATOM 646 CB TYR A 40 -4.452 -11.113 -2.498 1.00 0.00 C ATOM 647 CG TYR A 40 -5.894 -10.662 -2.441 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.253 -9.370 -2.803 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.898 -11.530 -2.027 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.570 -8.954 -2.751 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.217 -11.123 -1.974 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.547 -9.834 -2.337 1.00 0.00 C ATOM 653 OH TYR A 40 -9.860 -9.423 -2.286 1.00 0.00 O ATOM 0 H TYR A 40 -3.265 -8.598 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.924 -10.917 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.030 -10.831 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.418 -12.201 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.490 -8.679 -3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.642 -12.540 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.832 -7.945 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.985 -11.810 -1.650 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.422 -10.163 -1.975 1.00 0.00 H new ATOM 663 N ASP A 41 -1.827 -12.193 -1.243 1.00 0.00 N ATOM 664 CA ASP A 41 -0.474 -12.718 -1.387 1.00 0.00 C ATOM 665 C ASP A 41 0.003 -12.604 -2.832 1.00 0.00 C ATOM 666 O ASP A 41 1.153 -12.250 -3.090 1.00 0.00 O ATOM 667 CB ASP A 41 -0.420 -14.178 -0.933 1.00 0.00 C ATOM 668 CG ASP A 41 0.982 -14.752 -0.995 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.945 -13.996 -0.746 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.116 -15.957 -1.292 1.00 0.00 O ATOM 0 H ASP A 41 -2.500 -12.859 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 41 0.188 -12.124 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.795 -14.252 0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.082 -14.775 -1.560 1.00 0.00 H new ATOM 675 N ASP A 42 -0.889 -12.908 -3.769 1.00 0.00 N ATOM 676 CA ASP A 42 -0.559 -12.839 -5.188 1.00 0.00 C ATOM 677 C ASP A 42 -1.807 -12.570 -6.023 1.00 0.00 C ATOM 678 O ASP A 42 -2.895 -12.369 -5.483 1.00 0.00 O ATOM 679 CB ASP A 42 0.103 -14.141 -5.643 1.00 0.00 C ATOM 680 CG ASP A 42 0.953 -14.768 -4.556 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.151 -14.425 -4.467 1.00 0.00 O ATOM 682 OD2 ASP A 42 0.421 -15.603 -3.794 1.00 0.00 O ATOM 0 H ASP A 42 -1.845 -13.204 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 42 0.139 -12.015 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.667 -14.848 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.724 -13.944 -6.517 1.00 0.00 H new ATOM 687 N GLN A 43 -1.641 -12.566 -7.341 1.00 0.00 N ATOM 688 CA GLN A 43 -2.755 -12.320 -8.250 1.00 0.00 C ATOM 689 C GLN A 43 -3.824 -13.397 -8.106 1.00 0.00 C ATOM 690 O GLN A 43 -4.974 -13.204 -8.502 1.00 0.00 O ATOM 691 CB GLN A 43 -2.258 -12.268 -9.696 1.00 0.00 C ATOM 692 CG GLN A 43 -1.755 -13.605 -10.215 1.00 0.00 C ATOM 693 CD GLN A 43 -0.296 -13.849 -9.882 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.543 -12.959 -10.028 1.00 0.00 O ATOM 695 NE2 GLN A 43 0.014 -15.059 -9.432 1.00 0.00 N ATOM 0 H GLN A 43 -0.747 -12.730 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.198 -11.358 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.068 -11.920 -10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.455 -11.534 -9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.360 -14.406 -9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.888 -13.644 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.714 -15.766 -9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.980 -15.282 -9.192 1.00 0.00 H new ATOM 704 N THR A 44 -3.439 -14.535 -7.536 1.00 0.00 N ATOM 705 CA THR A 44 -4.364 -15.644 -7.340 1.00 0.00 C ATOM 706 C THR A 44 -5.459 -15.278 -6.345 1.00 0.00 C ATOM 707 O THR A 44 -6.585 -15.766 -6.439 1.00 0.00 O ATOM 708 CB THR A 44 -3.632 -16.904 -6.841 1.00 0.00 C ATOM 709 OG1 THR A 44 -2.745 -16.563 -5.769 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.846 -17.556 -7.968 1.00 0.00 C ATOM 0 H THR A 44 -2.492 -14.712 -7.202 1.00 0.00 H new ATOM 0 HA THR A 44 -4.815 -15.855 -8.310 1.00 0.00 H new ATOM 0 HB THR A 44 -4.379 -17.613 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.285 -17.370 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.338 -18.444 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.528 -17.841 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.108 -16.851 -8.352 1.00 0.00 H new ATOM 718 N ARG A 45 -5.121 -14.415 -5.392 1.00 0.00 N ATOM 719 CA ARG A 45 -6.077 -13.984 -4.379 1.00 0.00 C ATOM 720 C ARG A 45 -6.635 -15.180 -3.614 1.00 0.00 C ATOM 721 O ARG A 45 -7.843 -15.282 -3.399 1.00 0.00 O ATOM 722 CB ARG A 45 -7.220 -13.200 -5.026 1.00 0.00 C ATOM 723 CG ARG A 45 -6.750 -12.104 -5.968 1.00 0.00 C ATOM 724 CD ARG A 45 -7.780 -10.992 -6.088 1.00 0.00 C ATOM 725 NE ARG A 45 -7.731 -10.338 -7.393 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.011 -10.955 -8.535 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.358 -12.234 -8.533 1.00 0.00 N ATOM 728 NH2 ARG A 45 -7.943 -10.292 -9.683 1.00 0.00 N ATOM 0 H ARG A 45 -4.193 -14.001 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.555 -13.336 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.858 -13.892 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.834 -12.755 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.808 -11.691 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.555 -12.528 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.777 -11.402 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.608 -10.253 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.467 -9.353 -7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.411 -12.747 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.573 -12.706 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.675 -9.308 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.158 -10.767 -10.560 1.00 0.00 H new ATOM 742 N GLN A 46 -5.748 -16.083 -3.207 1.00 0.00 N ATOM 743 CA GLN A 46 -6.154 -17.272 -2.468 1.00 0.00 C ATOM 744 C GLN A 46 -5.951 -17.077 -0.969 1.00 0.00 C ATOM 745 O GLN A 46 -6.600 -17.732 -0.154 1.00 0.00 O ATOM 746 CB GLN A 46 -5.363 -18.491 -2.948 1.00 0.00 C ATOM 747 CG GLN A 46 -5.927 -19.124 -4.209 1.00 0.00 C ATOM 748 CD GLN A 46 -5.630 -20.608 -4.300 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.063 -21.197 -3.379 1.00 0.00 O ATOM 750 NE2 GLN A 46 -6.013 -21.221 -5.414 1.00 0.00 N ATOM 0 H GLN A 46 -4.745 -16.013 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.215 -17.440 -2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.330 -18.194 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.344 -19.237 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.006 -18.971 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.511 -18.620 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.480 -20.694 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.840 -22.219 -5.532 1.00 0.00 H new ATOM 759 N SER A 47 -5.044 -16.173 -0.612 1.00 0.00 N ATOM 760 CA SER A 47 -4.752 -15.895 0.789 1.00 0.00 C ATOM 761 C SER A 47 -4.789 -14.394 1.064 1.00 0.00 C ATOM 762 O SER A 47 -3.847 -13.670 0.741 1.00 0.00 O ATOM 763 CB SER A 47 -3.383 -16.461 1.169 1.00 0.00 C ATOM 764 OG SER A 47 -3.324 -16.768 2.551 1.00 0.00 O ATOM 0 H SER A 47 -4.499 -15.621 -1.274 1.00 0.00 H new ATOM 0 HA SER A 47 -5.518 -16.377 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.182 -17.359 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.606 -15.739 0.920 1.00 0.00 H new ATOM 0 HG SER A 47 -2.440 -17.130 2.768 1.00 0.00 H new ATOM 770 N ILE A 48 -5.883 -13.935 1.662 1.00 0.00 N ATOM 771 CA ILE A 48 -6.042 -12.522 1.982 1.00 0.00 C ATOM 772 C ILE A 48 -5.006 -12.070 3.006 1.00 0.00 C ATOM 773 O ILE A 48 -5.156 -12.313 4.203 1.00 0.00 O ATOM 774 CB ILE A 48 -7.451 -12.224 2.528 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.515 -12.639 1.509 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.585 -10.747 2.869 1.00 0.00 C ATOM 777 CD1 ILE A 48 -9.929 -12.538 2.037 1.00 0.00 C ATOM 0 H ILE A 48 -6.672 -14.521 1.935 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.896 -11.970 1.054 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.602 -12.803 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.421 -12.012 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.325 -13.666 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.586 -10.552 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.847 -10.480 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.418 -10.150 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.630 -12.847 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.040 -13.186 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.137 -11.507 2.324 1.00 0.00 H new ATOM 789 N GLU A 49 -3.957 -11.409 2.526 1.00 0.00 N ATOM 790 CA GLU A 49 -2.897 -10.922 3.400 1.00 0.00 C ATOM 791 C GLU A 49 -3.480 -10.224 4.625 1.00 0.00 C ATOM 792 O GLU A 49 -3.417 -10.744 5.739 1.00 0.00 O ATOM 793 CB GLU A 49 -1.980 -9.962 2.640 1.00 0.00 C ATOM 794 CG GLU A 49 -0.809 -10.650 1.958 1.00 0.00 C ATOM 795 CD GLU A 49 0.304 -11.003 2.925 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.174 -12.022 3.634 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.307 -10.259 2.971 1.00 0.00 O ATOM 0 H GLU A 49 -3.819 -11.199 1.537 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.314 -11.780 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.566 -9.431 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.597 -9.213 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.161 -11.558 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.414 -9.999 1.178 1.00 0.00 H new ATOM 804 N ASP A 50 -4.047 -9.042 4.411 1.00 0.00 N ATOM 805 CA ASP A 50 -4.642 -8.271 5.496 1.00 0.00 C ATOM 806 C ASP A 50 -5.558 -7.180 4.950 1.00 0.00 C ATOM 807 O ASP A 50 -5.462 -6.801 3.782 1.00 0.00 O ATOM 808 CB ASP A 50 -3.550 -7.648 6.367 1.00 0.00 C ATOM 809 CG ASP A 50 -3.085 -8.581 7.468 1.00 0.00 C ATOM 810 OD1 ASP A 50 -3.879 -9.451 7.883 1.00 0.00 O ATOM 811 OD2 ASP A 50 -1.927 -8.442 7.915 1.00 0.00 O ATOM 0 H ASP A 50 -4.107 -8.597 3.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.239 -8.950 6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.700 -7.378 5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.925 -6.726 6.811 1.00 0.00 H new ATOM 816 N LYS A 51 -6.445 -6.678 5.801 1.00 0.00 N ATOM 817 CA LYS A 51 -7.379 -5.630 5.405 1.00 0.00 C ATOM 818 C LYS A 51 -7.267 -4.424 6.332 1.00 0.00 C ATOM 819 O LYS A 51 -7.086 -4.571 7.541 1.00 0.00 O ATOM 820 CB LYS A 51 -8.813 -6.165 5.417 1.00 0.00 C ATOM 821 CG LYS A 51 -9.868 -5.077 5.312 1.00 0.00 C ATOM 822 CD LYS A 51 -11.204 -5.639 4.857 1.00 0.00 C ATOM 823 CE LYS A 51 -11.797 -6.579 5.896 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.285 -6.597 5.844 1.00 0.00 N ATOM 0 H LYS A 51 -6.537 -6.980 6.771 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.125 -5.314 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.939 -6.863 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.974 -6.729 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.988 -4.590 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.535 -4.313 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.898 -4.821 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.074 -6.172 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.416 -7.587 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.472 -6.272 6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.650 -7.249 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.650 -5.640 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.596 -6.914 4.904 1.00 0.00 H new ATOM 838 N VAL A 52 -7.379 -3.230 5.758 1.00 0.00 N ATOM 839 CA VAL A 52 -7.293 -1.998 6.533 1.00 0.00 C ATOM 840 C VAL A 52 -7.955 -0.838 5.797 1.00 0.00 C ATOM 841 O VAL A 52 -7.768 -0.666 4.593 1.00 0.00 O ATOM 842 CB VAL A 52 -5.830 -1.628 6.840 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.724 -0.170 7.259 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.264 -2.543 7.916 1.00 0.00 C ATOM 0 H VAL A 52 -7.529 -3.090 4.759 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.819 -2.177 7.471 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.241 -1.764 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.683 0.073 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.088 0.468 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.325 -0.004 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.229 -2.268 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.854 -2.441 8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.303 -3.577 7.572 1.00 0.00 H new ATOM 854 N HIS A 53 -8.731 -0.045 6.530 1.00 0.00 N ATOM 855 CA HIS A 53 -9.421 1.100 5.947 1.00 0.00 C ATOM 856 C HIS A 53 -8.472 2.286 5.794 1.00 0.00 C ATOM 857 O HIS A 53 -7.372 2.287 6.345 1.00 0.00 O ATOM 858 CB HIS A 53 -10.617 1.497 6.813 1.00 0.00 C ATOM 859 CG HIS A 53 -11.783 2.008 6.025 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.999 2.320 6.596 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.915 2.262 4.702 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.828 2.743 5.659 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.195 2.717 4.500 1.00 0.00 N ATOM 0 H HIS A 53 -8.897 -0.175 7.528 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.778 0.813 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.934 0.634 7.398 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.304 2.264 7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.155 2.131 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.850 3.057 5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.592 2.990 3.601 1.00 0.00 H new ATOM 872 N MET A 54 -8.907 3.292 5.043 1.00 0.00 N ATOM 873 CA MET A 54 -8.097 4.484 4.819 1.00 0.00 C ATOM 874 C MET A 54 -8.604 5.652 5.659 1.00 0.00 C ATOM 875 O MET A 54 -7.962 6.084 6.617 1.00 0.00 O ATOM 876 CB MET A 54 -8.108 4.863 3.337 1.00 0.00 C ATOM 877 CG MET A 54 -6.925 4.311 2.559 1.00 0.00 C ATOM 878 SD MET A 54 -5.343 4.909 3.185 1.00 0.00 S ATOM 879 CE MET A 54 -5.499 6.666 2.877 1.00 0.00 C ATOM 0 H MET A 54 -9.815 3.306 4.579 1.00 0.00 H new ATOM 0 HA MET A 54 -7.074 4.260 5.121 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.031 4.500 2.885 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.115 5.949 3.248 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.941 3.222 2.604 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.024 4.588 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.515 7.132 2.922 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.931 6.825 1.889 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.146 7.112 3.632 1.00 0.00 H new ATOM 889 N PRO A 55 -9.782 6.177 5.293 1.00 0.00 N ATOM 890 CA PRO A 55 -10.401 7.303 6.000 1.00 0.00 C ATOM 891 C PRO A 55 -10.894 6.913 7.390 1.00 0.00 C ATOM 892 O PRO A 55 -11.481 7.728 8.102 1.00 0.00 O ATOM 893 CB PRO A 55 -11.580 7.682 5.101 1.00 0.00 C ATOM 894 CG PRO A 55 -11.908 6.432 4.359 1.00 0.00 C ATOM 895 CD PRO A 55 -10.602 5.713 4.162 1.00 0.00 C ATOM 0 HA PRO A 55 -9.696 8.117 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.430 8.028 5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.314 8.489 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.611 5.817 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.377 6.658 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.733 4.631 4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.145 5.965 3.205 1.00 0.00 H new ATOM 903 N VAL A 56 -10.653 5.663 7.770 1.00 0.00 N ATOM 904 CA VAL A 56 -11.071 5.166 9.075 1.00 0.00 C ATOM 905 C VAL A 56 -9.878 4.664 9.881 1.00 0.00 C ATOM 906 O VAL A 56 -9.719 5.007 11.052 1.00 0.00 O ATOM 907 CB VAL A 56 -12.100 4.027 8.939 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.193 3.234 10.233 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.460 4.583 8.545 1.00 0.00 C ATOM 0 H VAL A 56 -10.170 4.975 7.192 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.533 6.003 9.598 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.767 3.352 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.924 2.434 10.118 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.219 2.804 10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.502 3.894 11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.175 3.765 8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.803 5.281 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.378 5.102 7.590 1.00 0.00 H new ATOM 919 N ASP A 57 -9.042 3.851 9.245 1.00 0.00 N ATOM 920 CA ASP A 57 -7.861 3.302 9.902 1.00 0.00 C ATOM 921 C ASP A 57 -6.646 4.194 9.668 1.00 0.00 C ATOM 922 O ASP A 57 -5.908 4.513 10.601 1.00 0.00 O ATOM 923 CB ASP A 57 -7.578 1.889 9.392 1.00 0.00 C ATOM 924 CG ASP A 57 -8.240 0.823 10.242 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.637 0.414 11.256 1.00 0.00 O ATOM 926 OD2 ASP A 57 -9.361 0.397 9.893 1.00 0.00 O ATOM 0 H ASP A 57 -9.160 3.557 8.275 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.058 3.260 10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.929 1.800 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.501 1.720 9.377 1.00 0.00 H new ATOM 931 N CYS A 58 -6.443 4.593 8.417 1.00 0.00 N ATOM 932 CA CYS A 58 -5.316 5.446 8.060 1.00 0.00 C ATOM 933 C CYS A 58 -5.595 6.899 8.430 1.00 0.00 C ATOM 934 O CYS A 58 -6.554 7.500 7.945 1.00 0.00 O ATOM 935 CB CYS A 58 -5.021 5.337 6.563 1.00 0.00 C ATOM 936 SG CYS A 58 -3.688 6.418 5.992 1.00 0.00 S ATOM 0 H CYS A 58 -7.045 4.339 7.633 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.445 5.108 8.621 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.762 4.304 6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.928 5.572 6.007 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.848 6.621 6.963 1.00 0.00 H new ATOM 942 N ILE A 59 -4.753 7.456 9.294 1.00 0.00 N ATOM 943 CA ILE A 59 -4.910 8.838 9.730 1.00 0.00 C ATOM 944 C ILE A 59 -3.931 9.757 9.007 1.00 0.00 C ATOM 945 O ILE A 59 -4.210 10.937 8.798 1.00 0.00 O ATOM 946 CB ILE A 59 -4.700 8.976 11.250 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.414 8.265 11.676 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.897 8.415 12.003 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.946 8.643 13.063 1.00 0.00 C ATOM 0 H ILE A 59 -3.955 6.972 9.706 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.930 9.133 9.484 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.605 10.034 11.494 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.574 7.188 11.636 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.626 8.497 10.960 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.734 8.520 13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.795 8.962 11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.021 7.361 11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.030 8.101 13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.754 9.715 13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.716 8.386 13.790 1.00 0.00 H new ATOM 961 N ASN A 60 -2.782 9.207 8.627 1.00 0.00 N ATOM 962 CA ASN A 60 -1.761 9.977 7.926 1.00 0.00 C ATOM 963 C ASN A 60 -1.088 9.134 6.848 1.00 0.00 C ATOM 964 O ASN A 60 -1.296 7.922 6.773 1.00 0.00 O ATOM 965 CB ASN A 60 -0.713 10.493 8.914 1.00 0.00 C ATOM 966 CG ASN A 60 -1.053 11.870 9.451 1.00 0.00 C ATOM 967 OD1 ASN A 60 -1.354 12.031 10.634 1.00 0.00 O ATOM 968 ND2 ASN A 60 -1.007 12.872 8.581 1.00 0.00 N ATOM 0 H ASN A 60 -2.535 8.231 8.793 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.248 10.826 7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.626 9.793 9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.259 10.527 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.226 13.821 8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.752 12.693 7.610 1.00 0.00 H new ATOM 975 N ILE A 61 -0.279 9.782 6.016 1.00 0.00 N ATOM 976 CA ILE A 61 0.426 9.091 4.944 1.00 0.00 C ATOM 977 C ILE A 61 1.855 9.604 4.806 1.00 0.00 C ATOM 978 O ILE A 61 2.079 10.753 4.424 1.00 0.00 O ATOM 979 CB ILE A 61 -0.299 9.256 3.595 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.767 8.843 3.727 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.393 8.434 2.518 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.638 9.340 2.594 1.00 0.00 C ATOM 0 H ILE A 61 -0.096 10.784 6.064 1.00 0.00 H new ATOM 0 HA ILE A 61 0.446 8.034 5.210 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.261 10.306 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.828 7.756 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.160 9.223 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.131 8.561 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.424 8.770 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.382 7.381 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.665 9.010 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.607 10.429 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.270 8.939 1.650 1.00 0.00 H new ATOM 994 N ARG A 62 2.820 8.744 5.118 1.00 0.00 N ATOM 995 CA ARG A 62 4.228 9.110 5.028 1.00 0.00 C ATOM 996 C ARG A 62 4.850 8.569 3.744 1.00 0.00 C ATOM 997 O ARG A 62 4.917 7.357 3.536 1.00 0.00 O ATOM 998 CB ARG A 62 4.993 8.579 6.242 1.00 0.00 C ATOM 999 CG ARG A 62 4.584 9.230 7.553 1.00 0.00 C ATOM 1000 CD ARG A 62 5.381 8.675 8.723 1.00 0.00 C ATOM 1001 NE ARG A 62 4.818 9.079 10.009 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.088 8.464 11.155 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.909 7.423 11.175 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.538 8.891 12.284 1.00 0.00 N ATOM 0 H ARG A 62 2.652 7.789 5.435 1.00 0.00 H new ATOM 0 HA ARG A 62 4.295 10.198 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.837 7.503 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.060 8.736 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.734 10.308 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.520 9.066 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.403 7.587 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.413 9.019 8.655 1.00 0.00 H new ATOM 0 HE ARG A 62 4.183 9.877 10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.335 7.093 10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.115 6.953 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.907 9.692 12.273 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.746 8.418 13.163 1.00 0.00 H new ATOM 1018 N THR A 63 5.304 9.476 2.884 1.00 0.00 N ATOM 1019 CA THR A 63 5.918 9.090 1.620 1.00 0.00 C ATOM 1020 C THR A 63 7.214 9.857 1.382 1.00 0.00 C ATOM 1021 O THR A 63 7.418 10.937 1.936 1.00 0.00 O ATOM 1022 CB THR A 63 4.965 9.334 0.435 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.678 10.732 0.317 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.669 8.558 0.614 1.00 0.00 C ATOM 0 H THR A 63 5.258 10.483 3.040 1.00 0.00 H new ATOM 0 HA THR A 63 6.137 8.024 1.687 1.00 0.00 H new ATOM 0 HB THR A 63 5.455 8.986 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.508 10.953 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.012 8.746 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.888 7.492 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.177 8.879 1.532 1.00 0.00 H new ATOM 1032 N GLY A 64 8.087 9.292 0.554 1.00 0.00 N ATOM 1033 CA GLY A 64 9.352 9.938 0.257 1.00 0.00 C ATOM 1034 C GLY A 64 10.363 9.775 1.375 1.00 0.00 C ATOM 1035 O GLY A 64 10.826 8.666 1.646 1.00 0.00 O ATOM 0 H GLY A 64 7.941 8.399 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.762 9.521 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.181 10.999 0.078 1.00 0.00 H new ATOM 1039 N HIS A 65 10.708 10.882 2.025 1.00 0.00 N ATOM 1040 CA HIS A 65 11.672 10.857 3.119 1.00 0.00 C ATOM 1041 C HIS A 65 10.965 10.701 4.462 1.00 0.00 C ATOM 1042 O HIS A 65 11.584 10.338 5.461 1.00 0.00 O ATOM 1043 CB HIS A 65 12.512 12.134 3.117 1.00 0.00 C ATOM 1044 CG HIS A 65 13.434 12.242 1.941 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.086 11.830 0.672 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.696 12.721 1.847 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.096 12.049 -0.152 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.085 12.590 0.537 1.00 0.00 N ATOM 0 H HIS A 65 10.334 11.807 1.813 1.00 0.00 H new ATOM 0 HA HIS A 65 12.329 10.000 2.972 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.846 12.997 3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.100 12.174 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.287 13.130 2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.110 11.824 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.991 12.866 0.157 1.00 0.00 H new ATOM 1057 N GLU A 66 9.665 10.981 4.478 1.00 0.00 N ATOM 1058 CA GLU A 66 8.876 10.873 5.699 1.00 0.00 C ATOM 1059 C GLU A 66 9.183 9.571 6.433 1.00 0.00 C ATOM 1060 O GLU A 66 9.495 9.577 7.624 1.00 0.00 O ATOM 1061 CB GLU A 66 7.382 10.949 5.375 1.00 0.00 C ATOM 1062 CG GLU A 66 6.959 12.271 4.756 1.00 0.00 C ATOM 1063 CD GLU A 66 5.477 12.546 4.923 1.00 0.00 C ATOM 1064 OE1 GLU A 66 4.977 12.432 6.061 1.00 0.00 O ATOM 1065 OE2 GLU A 66 4.819 12.875 3.915 1.00 0.00 O ATOM 0 H GLU A 66 9.137 11.284 3.660 1.00 0.00 H new ATOM 0 HA GLU A 66 9.143 11.707 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.125 10.139 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.812 10.787 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.529 13.080 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.206 12.267 3.694 1.00 0.00 H new ATOM 1138 N GLN A 71 13.411 1.174 5.418 1.00 0.00 N ATOM 1139 CA GLN A 71 14.530 1.334 4.497 1.00 0.00 C ATOM 1140 C GLN A 71 14.141 0.899 3.088 1.00 0.00 C ATOM 1141 O GLN A 71 13.546 -0.159 2.880 1.00 0.00 O ATOM 1142 CB GLN A 71 15.735 0.525 4.979 1.00 0.00 C ATOM 1143 CG GLN A 71 16.009 0.670 6.467 1.00 0.00 C ATOM 1144 CD GLN A 71 16.796 1.923 6.797 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.813 2.215 6.167 1.00 0.00 O ATOM 1146 NE2 GLN A 71 16.327 2.673 7.787 1.00 0.00 N ATOM 0 HA GLN A 71 14.798 2.390 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.571 -0.528 4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.619 0.839 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.062 0.688 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.559 -0.203 6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.480 2.393 8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.813 3.529 8.052 1.00 0.00 H new ATOM 1155 N PRO A 72 14.484 1.733 2.095 1.00 0.00 N ATOM 1156 CA PRO A 72 14.180 1.455 0.688 1.00 0.00 C ATOM 1157 C PRO A 72 15.006 0.300 0.134 1.00 0.00 C ATOM 1158 O PRO A 72 16.191 0.151 0.436 1.00 0.00 O ATOM 1159 CB PRO A 72 14.548 2.763 -0.019 1.00 0.00 C ATOM 1160 CG PRO A 72 15.566 3.397 0.864 1.00 0.00 C ATOM 1161 CD PRO A 72 15.194 3.011 2.269 1.00 0.00 C ATOM 0 HA PRO A 72 13.142 1.155 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.949 2.575 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.676 3.405 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.569 3.049 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.566 4.480 0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.075 2.899 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.559 3.763 2.738 1.00 0.00 H new ATOM 1169 N PRO A 73 14.370 -0.539 -0.697 1.00 0.00 N ATOM 1170 CA PRO A 73 15.028 -1.696 -1.311 1.00 0.00 C ATOM 1171 C PRO A 73 16.060 -1.288 -2.357 1.00 0.00 C ATOM 1172 O PRO A 73 15.780 -0.469 -3.232 1.00 0.00 O ATOM 1173 CB PRO A 73 13.871 -2.454 -1.968 1.00 0.00 C ATOM 1174 CG PRO A 73 12.834 -1.416 -2.223 1.00 0.00 C ATOM 1175 CD PRO A 73 12.958 -0.423 -1.101 1.00 0.00 C ATOM 0 HA PRO A 73 15.582 -2.286 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.187 -2.933 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.492 -3.240 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.992 -0.936 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.837 -1.857 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.716 0.588 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.284 -0.660 -0.278 1.00 0.00 H new ATOM 1183 N ASP A 74 17.253 -1.865 -2.260 1.00 0.00 N ATOM 1184 CA ASP A 74 18.326 -1.563 -3.199 1.00 0.00 C ATOM 1185 C ASP A 74 17.795 -1.488 -4.627 1.00 0.00 C ATOM 1186 O ASP A 74 17.001 -2.328 -5.049 1.00 0.00 O ATOM 1187 CB ASP A 74 19.427 -2.621 -3.106 1.00 0.00 C ATOM 1188 CG ASP A 74 20.490 -2.446 -4.173 1.00 0.00 C ATOM 1189 OD1 ASP A 74 21.214 -1.429 -4.129 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.599 -3.326 -5.051 1.00 0.00 O ATOM 0 H ASP A 74 17.501 -2.544 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 74 18.743 -0.591 -2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.893 -2.571 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.983 -3.612 -3.199 1.00 0.00 H new ATOM 1195 N GLY A 75 18.239 -0.476 -5.367 1.00 0.00 N ATOM 1196 CA GLY A 75 17.796 -0.310 -6.739 1.00 0.00 C ATOM 1197 C GLY A 75 16.552 0.549 -6.847 1.00 0.00 C ATOM 1198 O GLY A 75 16.062 0.811 -7.945 1.00 0.00 O ATOM 0 H GLY A 75 18.897 0.231 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.597 0.141 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.596 -1.289 -7.174 1.00 0.00 H new ATOM 1202 N LYS A 76 16.037 0.987 -5.703 1.00 0.00 N ATOM 1203 CA LYS A 76 14.841 1.822 -5.672 1.00 0.00 C ATOM 1204 C LYS A 76 15.105 3.122 -4.920 1.00 0.00 C ATOM 1205 O LYS A 76 15.774 3.145 -3.886 1.00 0.00 O ATOM 1206 CB LYS A 76 13.684 1.066 -5.016 1.00 0.00 C ATOM 1207 CG LYS A 76 13.310 -0.219 -5.735 1.00 0.00 C ATOM 1208 CD LYS A 76 12.664 0.064 -7.081 1.00 0.00 C ATOM 1209 CE LYS A 76 11.988 -1.176 -7.646 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.967 -2.263 -7.923 1.00 0.00 N ATOM 0 H LYS A 76 16.429 0.778 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 76 14.571 2.066 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.952 0.831 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.811 1.718 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.202 -0.829 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.625 -0.798 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.930 0.863 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.420 0.419 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.238 -1.534 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.463 -0.917 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.478 -3.065 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.707 -1.909 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.401 -2.575 -7.031 1.00 0.00 H new ATOM 1224 N PRO A 77 14.566 4.232 -5.447 1.00 0.00 N ATOM 1225 CA PRO A 77 14.728 5.556 -4.840 1.00 0.00 C ATOM 1226 C PRO A 77 13.962 5.690 -3.528 1.00 0.00 C ATOM 1227 O PRO A 77 13.540 4.694 -2.941 1.00 0.00 O ATOM 1228 CB PRO A 77 14.151 6.503 -5.895 1.00 0.00 C ATOM 1229 CG PRO A 77 13.186 5.669 -6.665 1.00 0.00 C ATOM 1230 CD PRO A 77 13.757 4.279 -6.676 1.00 0.00 C ATOM 0 HA PRO A 77 15.767 5.763 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.655 7.356 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.934 6.901 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.201 5.682 -6.199 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.064 6.049 -7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.972 3.522 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.364 4.101 -7.564 1.00 0.00 H new ATOM 1238 N ARG A 78 13.787 6.926 -3.074 1.00 0.00 N ATOM 1239 CA ARG A 78 13.072 7.190 -1.831 1.00 0.00 C ATOM 1240 C ARG A 78 11.621 7.573 -2.109 1.00 0.00 C ATOM 1241 O ARG A 78 10.707 7.128 -1.414 1.00 0.00 O ATOM 1242 CB ARG A 78 13.764 8.306 -1.047 1.00 0.00 C ATOM 1243 CG ARG A 78 14.821 7.803 -0.076 1.00 0.00 C ATOM 1244 CD ARG A 78 14.949 8.719 1.131 1.00 0.00 C ATOM 1245 NE ARG A 78 14.053 8.324 2.215 1.00 0.00 N ATOM 1246 CZ ARG A 78 14.269 8.620 3.492 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.345 9.312 3.842 1.00 0.00 N ATOM 1248 NH2 ARG A 78 13.408 8.226 4.421 1.00 0.00 N ATOM 0 H ARG A 78 14.131 7.761 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 78 13.081 6.277 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.228 8.998 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.013 8.869 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.563 6.797 0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.782 7.735 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.979 8.706 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.728 9.744 0.833 1.00 0.00 H new ATOM 0 HE ARG A 78 13.216 7.792 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.008 9.618 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.509 9.538 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.579 7.695 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.575 8.454 5.401 1.00 0.00 H new ATOM 1262 N ASP A 79 11.418 8.401 -3.128 1.00 0.00 N ATOM 1263 CA ASP A 79 10.079 8.844 -3.498 1.00 0.00 C ATOM 1264 C ASP A 79 9.173 7.651 -3.786 1.00 0.00 C ATOM 1265 O ASP A 79 7.947 7.765 -3.740 1.00 0.00 O ATOM 1266 CB ASP A 79 10.142 9.760 -4.721 1.00 0.00 C ATOM 1267 CG ASP A 79 10.742 11.114 -4.399 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.344 11.254 -3.314 1.00 0.00 O ATOM 1269 OD2 ASP A 79 10.610 12.035 -5.233 1.00 0.00 O ATOM 0 H ASP A 79 12.164 8.779 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 79 9.661 9.400 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.733 9.280 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.137 9.897 -5.121 1.00 0.00 H new ATOM 1274 N CYS A 80 9.782 6.510 -4.085 1.00 0.00 N ATOM 1275 CA CYS A 80 9.030 5.296 -4.383 1.00 0.00 C ATOM 1276 C CYS A 80 8.597 4.596 -3.099 1.00 0.00 C ATOM 1277 O CYS A 80 8.199 3.430 -3.119 1.00 0.00 O ATOM 1278 CB CYS A 80 9.872 4.347 -5.237 1.00 0.00 C ATOM 1279 SG CYS A 80 9.836 4.718 -7.006 1.00 0.00 S ATOM 0 H CYS A 80 10.795 6.399 -4.128 1.00 0.00 H new ATOM 0 HA CYS A 80 8.137 5.578 -4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.905 4.383 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.519 3.327 -5.083 1.00 0.00 H new ATOM 0 HG CYS A 80 10.579 3.863 -7.644 1.00 0.00 H new ATOM 1285 N LEU A 81 8.680 5.313 -1.983 1.00 0.00 N ATOM 1286 CA LEU A 81 8.298 4.760 -0.689 1.00 0.00 C ATOM 1287 C LEU A 81 6.900 5.223 -0.290 1.00 0.00 C ATOM 1288 O LEU A 81 6.599 6.417 -0.317 1.00 0.00 O ATOM 1289 CB LEU A 81 9.309 5.172 0.382 1.00 0.00 C ATOM 1290 CG LEU A 81 10.651 4.440 0.355 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.605 5.036 1.379 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.453 2.953 0.611 1.00 0.00 C ATOM 0 H LEU A 81 9.008 6.278 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 81 8.290 3.673 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.499 6.241 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.854 5.019 1.361 1.00 0.00 H new ATOM 0 HG LEU A 81 11.090 4.563 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.555 4.502 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.772 6.089 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.173 4.945 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.419 2.448 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.992 2.810 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.806 2.534 -0.160 1.00 0.00 H new ATOM 1304 N LEU A 82 6.052 4.271 0.083 1.00 0.00 N ATOM 1305 CA LEU A 82 4.686 4.581 0.491 1.00 0.00 C ATOM 1306 C LEU A 82 4.367 3.958 1.846 1.00 0.00 C ATOM 1307 O LEU A 82 4.549 2.757 2.045 1.00 0.00 O ATOM 1308 CB LEU A 82 3.693 4.081 -0.559 1.00 0.00 C ATOM 1309 CG LEU A 82 2.274 4.642 -0.463 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.154 5.930 -1.263 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.260 3.616 -0.947 1.00 0.00 C ATOM 0 H LEU A 82 6.286 3.279 0.111 1.00 0.00 H new ATOM 0 HA LEU A 82 4.597 5.664 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.089 4.318 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.638 2.995 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 82 2.063 4.866 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.137 6.315 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.853 6.668 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.385 5.731 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.256 4.033 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.469 3.360 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.328 2.719 -0.331 1.00 0.00 H new ATOM 1323 N GLN A 83 3.889 4.782 2.773 1.00 0.00 N ATOM 1324 CA GLN A 83 3.543 4.310 4.109 1.00 0.00 C ATOM 1325 C GLN A 83 2.119 4.714 4.477 1.00 0.00 C ATOM 1326 O GLN A 83 1.608 5.726 3.999 1.00 0.00 O ATOM 1327 CB GLN A 83 4.527 4.867 5.139 1.00 0.00 C ATOM 1328 CG GLN A 83 4.717 3.966 6.348 1.00 0.00 C ATOM 1329 CD GLN A 83 5.957 4.314 7.147 1.00 0.00 C ATOM 1330 OE1 GLN A 83 5.868 4.745 8.298 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.124 4.130 6.540 1.00 0.00 N ATOM 0 H GLN A 83 3.733 5.779 2.624 1.00 0.00 H new ATOM 0 HA GLN A 83 3.604 3.222 4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.493 5.025 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.175 5.842 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.841 4.041 6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.782 2.929 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.151 3.771 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.993 4.348 7.028 1.00 0.00 H new ATOM 1340 N ILE A 84 1.485 3.915 5.329 1.00 0.00 N ATOM 1341 CA ILE A 84 0.121 4.190 5.761 1.00 0.00 C ATOM 1342 C ILE A 84 -0.003 4.106 7.279 1.00 0.00 C ATOM 1343 O ILE A 84 -0.141 3.021 7.843 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.881 3.210 5.122 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.612 3.079 3.621 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.308 3.674 5.371 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -1.015 4.301 2.826 1.00 0.00 C ATOM 0 H ILE A 84 1.894 3.073 5.733 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.114 5.203 5.434 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.753 2.230 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.450 2.888 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.151 2.212 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.004 2.971 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.493 3.721 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.451 4.662 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.796 4.137 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.083 4.481 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.457 5.167 3.182 1.00 0.00 H new ATOM 1359 N VAL A 85 0.048 5.261 7.936 1.00 0.00 N ATOM 1360 CA VAL A 85 -0.061 5.319 9.389 1.00 0.00 C ATOM 1361 C VAL A 85 -1.494 5.063 9.843 1.00 0.00 C ATOM 1362 O VAL A 85 -2.368 5.915 9.684 1.00 0.00 O ATOM 1363 CB VAL A 85 0.401 6.684 9.932 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.270 6.729 11.446 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.833 6.971 9.503 1.00 0.00 C ATOM 0 H VAL A 85 0.164 6.169 7.485 1.00 0.00 H new ATOM 0 HA VAL A 85 0.588 4.539 9.787 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.242 7.458 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.601 7.701 11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.772 6.572 11.726 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.886 5.946 11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.143 7.939 9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.492 6.194 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.891 6.985 8.415 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.726 3.884 10.409 1.00 0.00 N ATOM 1376 CA CYS A 86 -3.054 3.514 10.888 1.00 0.00 C ATOM 1377 C CYS A 86 -3.232 3.901 12.352 1.00 0.00 C ATOM 1378 O CYS A 86 -2.535 3.390 13.229 1.00 0.00 O ATOM 1379 CB CYS A 86 -3.281 2.012 10.714 1.00 0.00 C ATOM 1380 SG CYS A 86 -4.808 1.404 11.467 1.00 0.00 S ATOM 0 H CYS A 86 -1.013 3.168 10.548 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.791 4.057 10.296 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.296 1.779 9.649 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.437 1.475 11.146 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.719 2.329 11.407 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.168 4.809 12.609 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.435 5.267 13.967 1.00 0.00 C ATOM 1388 C ARG A 87 -3.151 5.304 14.791 1.00 0.00 C ATOM 1389 O ARG A 87 -3.160 5.008 15.986 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.462 4.356 14.643 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.903 4.751 14.364 1.00 0.00 C ATOM 1392 CD ARG A 87 -7.824 3.541 14.379 1.00 0.00 C ATOM 1393 NE ARG A 87 -7.711 2.783 15.622 1.00 0.00 N ATOM 1394 CZ ARG A 87 -8.586 1.857 16.000 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -9.632 1.577 15.235 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -8.415 1.210 17.146 1.00 0.00 N ATOM 0 H ARG A 87 -4.754 5.242 11.895 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.839 6.278 13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.303 3.331 14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.293 4.368 15.720 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.235 5.472 15.111 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.965 5.245 13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.855 3.869 14.247 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.585 2.893 13.536 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.917 2.975 16.233 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.767 2.073 14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.302 0.866 15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.612 1.423 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.087 0.499 17.436 1.00 0.00 H new ATOM 1410 N ASP A 88 -2.050 5.669 14.144 1.00 0.00 N ATOM 1411 CA ASP A 88 -0.758 5.745 14.817 1.00 0.00 C ATOM 1412 C ASP A 88 -0.509 4.497 15.659 1.00 0.00 C ATOM 1413 O ASP A 88 -0.211 4.588 16.849 1.00 0.00 O ATOM 1414 CB ASP A 88 -0.691 6.992 15.700 1.00 0.00 C ATOM 1415 CG ASP A 88 -0.325 8.237 14.915 1.00 0.00 C ATOM 1416 OD1 ASP A 88 0.670 8.193 14.162 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -1.034 9.255 15.055 1.00 0.00 O ATOM 0 H ASP A 88 -2.026 5.917 13.155 1.00 0.00 H new ATOM 0 HA ASP A 88 0.018 5.807 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.655 7.142 16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.043 6.835 16.490 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.636 3.331 15.032 1.00 0.00 N ATOM 1423 CA GLY A 89 -0.423 2.082 15.739 1.00 0.00 C ATOM 1424 C GLY A 89 0.180 1.010 14.853 1.00 0.00 C ATOM 1425 O GLY A 89 1.188 0.398 15.205 1.00 0.00 O ATOM 0 H GLY A 89 -0.883 3.230 14.047 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.235 2.258 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.373 1.727 16.138 1.00 0.00 H new ATOM 1429 N LYS A 90 -0.439 0.780 13.700 1.00 0.00 N ATOM 1430 CA LYS A 90 0.042 -0.225 12.760 1.00 0.00 C ATOM 1431 C LYS A 90 0.489 0.421 11.453 1.00 0.00 C ATOM 1432 O LYS A 90 -0.308 0.595 10.530 1.00 0.00 O ATOM 1433 CB LYS A 90 -1.052 -1.259 12.483 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.636 -2.335 11.495 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.783 -3.282 11.187 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.530 -4.067 9.909 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.445 -5.235 9.785 1.00 0.00 N ATOM 0 H LYS A 90 -1.276 1.277 13.394 1.00 0.00 H new ATOM 0 HA LYS A 90 0.900 -0.725 13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.340 -1.732 13.422 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.935 -0.748 12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.290 -1.869 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.203 -2.899 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.919 -3.973 12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.709 -2.715 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.660 -3.411 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.496 -4.412 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.241 -5.744 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.303 -5.874 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.431 -4.904 9.774 1.00 0.00 H new ATOM 1451 N THR A 91 1.768 0.775 11.379 1.00 0.00 N ATOM 1452 CA THR A 91 2.320 1.402 10.185 1.00 0.00 C ATOM 1453 C THR A 91 2.615 0.366 9.107 1.00 0.00 C ATOM 1454 O THR A 91 3.211 -0.676 9.381 1.00 0.00 O ATOM 1455 CB THR A 91 3.613 2.177 10.504 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.346 3.197 11.472 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.192 2.805 9.245 1.00 0.00 C ATOM 0 H THR A 91 2.441 0.638 12.133 1.00 0.00 H new ATOM 0 HA THR A 91 1.568 2.100 9.818 1.00 0.00 H new ATOM 0 HB THR A 91 4.341 1.474 10.909 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.173 3.684 11.671 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.104 3.347 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.421 2.023 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.466 3.496 8.816 1.00 0.00 H new ATOM 1465 N ILE A 92 2.195 0.659 7.881 1.00 0.00 N ATOM 1466 CA ILE A 92 2.417 -0.248 6.761 1.00 0.00 C ATOM 1467 C ILE A 92 3.475 0.301 5.810 1.00 0.00 C ATOM 1468 O ILE A 92 3.282 1.343 5.185 1.00 0.00 O ATOM 1469 CB ILE A 92 1.117 -0.499 5.974 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.026 -1.031 6.905 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.368 -1.473 4.833 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.354 -1.028 6.284 1.00 0.00 C ATOM 0 H ILE A 92 1.699 1.517 7.638 1.00 0.00 H new ATOM 0 HA ILE A 92 2.765 -1.191 7.183 1.00 0.00 H new ATOM 0 HB ILE A 92 0.778 0.447 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.279 -2.048 7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.008 -0.428 7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.440 -1.640 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.117 -1.058 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.728 -2.420 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.076 -1.418 7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.628 -0.009 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.353 -1.655 5.392 1.00 0.00 H new ATOM 1484 N SER A 93 4.594 -0.410 5.705 1.00 0.00 N ATOM 1485 CA SER A 93 5.685 0.007 4.832 1.00 0.00 C ATOM 1486 C SER A 93 5.526 -0.595 3.440 1.00 0.00 C ATOM 1487 O SER A 93 5.571 -1.814 3.268 1.00 0.00 O ATOM 1488 CB SER A 93 7.031 -0.408 5.429 1.00 0.00 C ATOM 1489 OG SER A 93 6.988 -0.388 6.846 1.00 0.00 O ATOM 0 H SER A 93 4.768 -1.277 6.213 1.00 0.00 H new ATOM 0 HA SER A 93 5.654 1.093 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.293 -1.408 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.812 0.265 5.076 1.00 0.00 H new ATOM 0 HG SER A 93 7.859 -0.659 7.204 1.00 0.00 H new ATOM 1495 N LEU A 94 5.340 0.268 2.447 1.00 0.00 N ATOM 1496 CA LEU A 94 5.175 -0.177 1.067 1.00 0.00 C ATOM 1497 C LEU A 94 6.220 0.463 0.159 1.00 0.00 C ATOM 1498 O LEU A 94 6.916 1.397 0.560 1.00 0.00 O ATOM 1499 CB LEU A 94 3.770 0.163 0.566 1.00 0.00 C ATOM 1500 CG LEU A 94 2.612 -0.281 1.462 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.327 0.425 1.060 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.436 -1.791 1.397 1.00 0.00 C ATOM 0 H LEU A 94 5.300 1.280 2.571 1.00 0.00 H new ATOM 0 HA LEU A 94 5.312 -1.258 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.705 1.243 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.637 -0.289 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 94 2.847 -0.007 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.514 0.097 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.458 1.503 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.087 0.182 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.608 -2.089 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.223 -2.089 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.351 -2.279 1.734 1.00 0.00 H new ATOM 1514 N CYS A 95 6.322 -0.043 -1.065 1.00 0.00 N ATOM 1515 CA CYS A 95 7.282 0.481 -2.031 1.00 0.00 C ATOM 1516 C CYS A 95 6.842 0.169 -3.457 1.00 0.00 C ATOM 1517 O CYS A 95 6.580 -0.984 -3.799 1.00 0.00 O ATOM 1518 CB CYS A 95 8.670 -0.107 -1.772 1.00 0.00 C ATOM 1519 SG CYS A 95 9.835 0.124 -3.135 1.00 0.00 S ATOM 0 H CYS A 95 5.753 -0.815 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 95 7.327 1.564 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.084 0.349 -0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.569 -1.174 -1.571 1.00 0.00 H new ATOM 0 HG CYS A 95 9.180 0.398 -4.224 1.00 0.00 H new ATOM 1525 N ALA A 96 6.761 1.205 -4.286 1.00 0.00 N ATOM 1526 CA ALA A 96 6.353 1.041 -5.676 1.00 0.00 C ATOM 1527 C ALA A 96 7.550 0.723 -6.565 1.00 0.00 C ATOM 1528 O ALA A 96 8.688 0.686 -6.099 1.00 0.00 O ATOM 1529 CB ALA A 96 5.645 2.295 -6.169 1.00 0.00 C ATOM 0 H ALA A 96 6.973 2.166 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 96 5.661 0.201 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.346 2.159 -7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.761 2.478 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.320 3.147 -6.094 1.00 0.00 H new ATOM 1535 N GLU A 97 7.284 0.492 -7.847 1.00 0.00 N ATOM 1536 CA GLU A 97 8.341 0.175 -8.801 1.00 0.00 C ATOM 1537 C GLU A 97 8.911 1.446 -9.423 1.00 0.00 C ATOM 1538 O GLU A 97 10.127 1.632 -9.476 1.00 0.00 O ATOM 1539 CB GLU A 97 7.807 -0.748 -9.898 1.00 0.00 C ATOM 1540 CG GLU A 97 8.880 -1.610 -10.543 1.00 0.00 C ATOM 1541 CD GLU A 97 8.469 -2.129 -11.907 1.00 0.00 C ATOM 1542 OE1 GLU A 97 8.275 -1.303 -12.823 1.00 0.00 O ATOM 1543 OE2 GLU A 97 8.342 -3.363 -12.058 1.00 0.00 O ATOM 0 H GLU A 97 6.347 0.518 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 97 9.140 -0.335 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.039 -1.395 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.327 -0.144 -10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.797 -1.029 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.105 -2.453 -9.890 1.00 0.00 H new ATOM 1550 N SER A 98 8.025 2.317 -9.894 1.00 0.00 N ATOM 1551 CA SER A 98 8.439 3.568 -10.517 1.00 0.00 C ATOM 1552 C SER A 98 7.803 4.763 -9.813 1.00 0.00 C ATOM 1553 O SER A 98 6.669 4.687 -9.338 1.00 0.00 O ATOM 1554 CB SER A 98 8.061 3.575 -12.000 1.00 0.00 C ATOM 1555 OG SER A 98 9.017 2.871 -12.773 1.00 0.00 O ATOM 0 H SER A 98 7.015 2.179 -9.856 1.00 0.00 H new ATOM 0 HA SER A 98 9.522 3.649 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.078 3.122 -12.130 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.987 4.603 -12.355 1.00 0.00 H new ATOM 0 HG SER A 98 8.752 2.889 -13.716 1.00 0.00 H new ATOM 1561 N THR A 99 8.541 5.867 -9.749 1.00 0.00 N ATOM 1562 CA THR A 99 8.051 7.077 -9.103 1.00 0.00 C ATOM 1563 C THR A 99 6.577 7.310 -9.416 1.00 0.00 C ATOM 1564 O THR A 99 5.788 7.634 -8.528 1.00 0.00 O ATOM 1565 CB THR A 99 8.858 8.314 -9.540 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.261 8.032 -9.476 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.536 9.511 -8.658 1.00 0.00 C ATOM 0 H THR A 99 9.481 5.947 -10.137 1.00 0.00 H new ATOM 0 HA THR A 99 8.173 6.933 -8.030 1.00 0.00 H new ATOM 0 HB THR A 99 8.582 8.555 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.767 8.823 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.118 10.372 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.473 9.742 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.785 9.278 -7.623 1.00 0.00 H new ATOM 1575 N ASP A 100 6.213 7.142 -10.682 1.00 0.00 N ATOM 1576 CA ASP A 100 4.832 7.332 -11.112 1.00 0.00 C ATOM 1577 C ASP A 100 3.899 6.371 -10.382 1.00 0.00 C ATOM 1578 O ASP A 100 2.804 6.750 -9.965 1.00 0.00 O ATOM 1579 CB ASP A 100 4.713 7.129 -12.623 1.00 0.00 C ATOM 1580 CG ASP A 100 3.337 6.645 -13.036 1.00 0.00 C ATOM 1581 OD1 ASP A 100 2.338 7.263 -12.612 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.259 5.649 -13.785 1.00 0.00 O ATOM 0 H ASP A 100 6.854 6.875 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 100 4.538 8.353 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.932 8.068 -13.131 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.462 6.407 -12.950 1.00 0.00 H new ATOM 1587 N ASP A 101 4.338 5.127 -10.233 1.00 0.00 N ATOM 1588 CA ASP A 101 3.542 4.111 -9.554 1.00 0.00 C ATOM 1589 C ASP A 101 3.282 4.504 -8.103 1.00 0.00 C ATOM 1590 O ASP A 101 2.155 4.409 -7.617 1.00 0.00 O ATOM 1591 CB ASP A 101 4.250 2.756 -9.609 1.00 0.00 C ATOM 1592 CG ASP A 101 3.883 1.960 -10.846 1.00 0.00 C ATOM 1593 OD1 ASP A 101 4.363 2.314 -11.944 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.116 0.984 -10.716 1.00 0.00 O ATOM 0 H ASP A 101 5.241 4.797 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 101 2.584 4.033 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.329 2.912 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.994 2.179 -8.720 1.00 0.00 H new ATOM 1599 N CYS A 102 4.331 4.945 -7.418 1.00 0.00 N ATOM 1600 CA CYS A 102 4.217 5.351 -6.022 1.00 0.00 C ATOM 1601 C CYS A 102 3.285 6.550 -5.879 1.00 0.00 C ATOM 1602 O CYS A 102 2.337 6.524 -5.093 1.00 0.00 O ATOM 1603 CB CYS A 102 5.595 5.691 -5.454 1.00 0.00 C ATOM 1604 SG CYS A 102 5.603 6.005 -3.673 1.00 0.00 S ATOM 0 H CYS A 102 5.270 5.031 -7.807 1.00 0.00 H new ATOM 0 HA CYS A 102 3.796 4.517 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.278 4.869 -5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.981 6.571 -5.969 1.00 0.00 H new ATOM 0 HG CYS A 102 6.383 7.012 -3.413 1.00 0.00 H new ATOM 1610 N LEU A 103 3.562 7.602 -6.642 1.00 0.00 N ATOM 1611 CA LEU A 103 2.749 8.813 -6.600 1.00 0.00 C ATOM 1612 C LEU A 103 1.287 8.498 -6.898 1.00 0.00 C ATOM 1613 O LEU A 103 0.399 8.824 -6.112 1.00 0.00 O ATOM 1614 CB LEU A 103 3.277 9.840 -7.604 1.00 0.00 C ATOM 1615 CG LEU A 103 4.528 10.611 -7.181 1.00 0.00 C ATOM 1616 CD1 LEU A 103 5.207 11.232 -8.392 1.00 0.00 C ATOM 1617 CD2 LEU A 103 4.174 11.680 -6.158 1.00 0.00 C ATOM 0 H LEU A 103 4.343 7.641 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 103 2.814 9.230 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.491 9.326 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.484 10.559 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 103 5.225 9.911 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.095 11.777 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.495 10.446 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.518 11.919 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.076 12.219 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.459 12.378 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.733 11.210 -5.279 1.00 0.00 H new ATOM 1629 N ALA A 104 1.045 7.860 -8.039 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.309 7.497 -8.439 1.00 0.00 C ATOM 1631 C ALA A 104 -1.120 7.003 -7.246 1.00 0.00 C ATOM 1632 O ALA A 104 -2.249 7.441 -7.027 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.271 6.437 -9.530 1.00 0.00 C ATOM 0 H ALA A 104 1.769 7.584 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.797 8.389 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.289 6.176 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.264 6.826 -10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.240 5.549 -9.157 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.537 6.088 -6.479 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.207 5.533 -5.309 1.00 0.00 C ATOM 1641 C TRP A 105 -1.485 6.619 -4.275 1.00 0.00 C ATOM 1642 O TRP A 105 -2.625 6.811 -3.851 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.357 4.425 -4.686 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.654 3.065 -5.242 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.177 2.290 -6.000 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.867 2.322 -5.085 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.447 1.109 -6.323 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.702 1.104 -5.773 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.077 2.565 -4.429 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.701 0.136 -5.823 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.068 1.604 -4.479 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.875 0.401 -5.172 1.00 0.00 C ATOM 0 H TRP A 105 0.398 5.715 -6.646 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.159 5.112 -5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.697 4.653 -4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.521 4.413 -3.609 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.177 2.565 -6.301 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.042 0.358 -6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.235 3.489 -3.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.555 -0.791 -6.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.007 1.782 -3.976 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.669 -0.331 -5.193 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.436 7.328 -3.872 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.566 8.397 -2.888 1.00 0.00 C ATOM 1665 C LYS A 106 -1.778 9.272 -3.193 1.00 0.00 C ATOM 1666 O LYS A 106 -2.690 9.393 -2.375 1.00 0.00 O ATOM 1667 CB LYS A 106 0.702 9.253 -2.864 1.00 0.00 C ATOM 1668 CG LYS A 106 0.539 10.559 -2.106 1.00 0.00 C ATOM 1669 CD LYS A 106 1.883 11.138 -1.698 1.00 0.00 C ATOM 1670 CE LYS A 106 1.754 12.586 -1.251 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.556 13.507 -2.405 1.00 0.00 N ATOM 0 H LYS A 106 0.515 7.182 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.707 7.940 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.510 8.678 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.002 9.472 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.006 11.278 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.071 10.392 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.306 10.543 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.577 11.075 -2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.914 12.680 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.650 12.878 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.625 14.492 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.288 13.328 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.617 13.345 -2.821 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.782 9.878 -4.375 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.882 10.742 -4.788 1.00 0.00 C ATOM 1687 C PHE A 107 -4.228 10.100 -4.464 1.00 0.00 C ATOM 1688 O PHE A 107 -5.090 10.717 -3.838 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.792 11.037 -6.287 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.479 11.634 -6.703 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -0.811 12.519 -5.871 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.911 11.310 -7.924 1.00 0.00 C ATOM 1693 CE1 PHE A 107 0.398 13.071 -6.252 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.298 11.858 -8.310 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.953 12.739 -7.472 1.00 0.00 C ATOM 0 H PHE A 107 -1.036 9.787 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.803 11.678 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.953 10.112 -6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.596 11.719 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.240 12.780 -4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.419 10.621 -8.582 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.908 13.761 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.730 11.598 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.898 13.168 -7.771 1.00 0.00 H new ATOM 1705 N THR A 108 -4.403 8.855 -4.897 1.00 0.00 N ATOM 1706 CA THR A 108 -5.643 8.128 -4.656 1.00 0.00 C ATOM 1707 C THR A 108 -5.914 7.984 -3.162 1.00 0.00 C ATOM 1708 O THR A 108 -7.052 8.120 -2.712 1.00 0.00 O ATOM 1709 CB THR A 108 -5.608 6.728 -5.297 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.183 6.825 -6.661 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.978 6.070 -5.233 1.00 0.00 C ATOM 0 H THR A 108 -3.701 8.329 -5.417 1.00 0.00 H new ATOM 0 HA THR A 108 -6.444 8.709 -5.114 1.00 0.00 H new ATOM 0 HB THR A 108 -4.901 6.114 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.208 6.916 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.929 5.082 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.286 5.972 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.702 6.684 -5.769 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.862 7.709 -2.399 1.00 0.00 N ATOM 1720 CA LEU A 109 -4.987 7.547 -0.955 1.00 0.00 C ATOM 1721 C LEU A 109 -5.445 8.846 -0.298 1.00 0.00 C ATOM 1722 O LEU A 109 -6.446 8.870 0.417 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.652 7.102 -0.354 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.130 5.740 -0.813 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.654 5.594 -0.481 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -3.936 4.618 -0.176 1.00 0.00 C ATOM 0 H LEU A 109 -3.914 7.594 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.738 6.780 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.901 7.855 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.753 7.083 0.731 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.245 5.674 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.301 4.619 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.088 6.377 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.513 5.681 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.551 3.656 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.853 4.681 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.983 4.712 -0.466 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.707 9.922 -0.550 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.039 11.224 0.015 1.00 0.00 C ATOM 1740 C GLN A 110 -6.513 11.552 -0.201 1.00 0.00 C ATOM 1741 O GLN A 110 -7.184 12.059 0.697 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.165 12.313 -0.610 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.831 12.502 0.095 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.168 13.819 -0.254 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.594 14.517 -1.175 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.118 14.168 0.481 1.00 0.00 N ATOM 0 H GLN A 110 -3.876 9.918 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.848 11.186 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.982 12.065 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.710 13.257 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.984 12.451 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.164 11.682 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.798 13.560 1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.631 15.044 0.292 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.009 11.260 -1.398 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.404 11.523 -1.733 1.00 0.00 C ATOM 1757 C ASP A 111 -9.336 10.651 -0.898 1.00 0.00 C ATOM 1758 O ASP A 111 -10.196 11.158 -0.177 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.649 11.274 -3.222 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.839 12.049 -3.750 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.744 13.291 -3.844 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.866 11.415 -4.071 1.00 0.00 O ATOM 0 H ASP A 111 -6.466 10.841 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.616 12.568 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.759 11.553 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.810 10.209 -3.388 1.00 0.00 H new ATOM 1767 N SER A 112 -9.161 9.338 -1.002 1.00 0.00 N ATOM 1768 CA SER A 112 -9.990 8.395 -0.260 1.00 0.00 C ATOM 1769 C SER A 112 -10.318 8.935 1.129 1.00 0.00 C ATOM 1770 O SER A 112 -11.425 8.748 1.634 1.00 0.00 O ATOM 1771 CB SER A 112 -9.282 7.044 -0.140 1.00 0.00 C ATOM 1772 OG SER A 112 -8.709 6.657 -1.377 1.00 0.00 O ATOM 0 H SER A 112 -8.453 8.903 -1.593 1.00 0.00 H new ATOM 0 HA SER A 112 -10.922 8.261 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.505 7.104 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.992 6.285 0.188 1.00 0.00 H new ATOM 0 HG SER A 112 -7.867 7.140 -1.513 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.347 9.606 1.740 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.531 10.173 3.070 1.00 0.00 C ATOM 1780 C ARG A 113 -10.849 10.937 3.159 1.00 0.00 C ATOM 1781 O ARG A 113 -11.748 10.561 3.912 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.366 11.102 3.417 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.003 10.440 3.300 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.893 11.360 3.783 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.083 11.765 5.173 1.00 0.00 N ATOM 1786 CZ ARG A 113 -6.839 12.792 5.542 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -7.473 13.515 4.630 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -6.963 13.098 6.828 1.00 0.00 N ATOM 0 H ARG A 113 -8.425 9.770 1.335 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.558 9.352 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.396 11.970 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.496 11.469 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.993 9.519 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -6.820 10.162 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.933 10.854 3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.855 12.246 3.149 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.609 11.230 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.381 13.283 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.053 14.303 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.477 12.544 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.544 13.887 7.111 1.00 0.00 H new