USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 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 -156:sc= -5.18! (180deg=-6.51!) USER MOD Set 1.2: A 58 CYS SG : rot 55:sc= -2.04 USER MOD Set 1.3: A 112 SER OG : rot -59:sc= 0.389 USER MOD Set 2.1: A 83 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.68) USER MOD Set 2.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 150:sc= 0.251 (180deg=-2.36) USER MOD Set 3.2: A 27 ASN : amide:sc= -0.322 K(o=-0.071,f=-15!) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00359) USER MOD Single : A 11 SER OG : rot 25:sc= 0.0237 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.0064) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.723 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.42! C(o=-3.4!,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 15:sc= -1.26 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) 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= -5.74! C(o=-5.7!,f=-8.2!) USER MOD Single : A 60 ASN : amide:sc= -0.691 K(o=-0.69,f=-0.18) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-5.1!) USER MOD Single : A 71 GLN : amide:sc=-0.00125 K(o=-0.0013,f=-0.97) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 86 CYS SG : rot 180:sc=-0.00793 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 95 CYS SG : rot -51:sc= 0.124 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 102 CYS SG : rot -162:sc= 0.507 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.706 USER MOD Single : A 110 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.975 -2.227 -7.398 1.00 0.00 N ATOM 67 CA PHE A 8 -11.739 -1.696 -6.835 1.00 0.00 C ATOM 68 C PHE A 8 -11.278 -0.462 -7.605 1.00 0.00 C ATOM 69 O PHE A 8 -11.184 -0.480 -8.832 1.00 0.00 O ATOM 70 CB PHE A 8 -10.643 -2.764 -6.857 1.00 0.00 C ATOM 71 CG PHE A 8 -11.086 -4.088 -6.304 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.617 -4.178 -5.027 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.972 -5.243 -7.061 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.024 -5.396 -4.516 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.378 -6.464 -6.555 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.905 -6.540 -5.281 1.00 0.00 C ATOM 0 HA PHE A 8 -11.934 -1.407 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.303 -2.903 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.788 -2.407 -6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.714 -3.287 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.561 -5.189 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.435 -5.453 -3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.283 -7.357 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.224 -7.492 -4.883 1.00 0.00 H new ATOM 86 N VAL A 9 -10.991 0.611 -6.874 1.00 0.00 N ATOM 87 CA VAL A 9 -10.539 1.855 -7.486 1.00 0.00 C ATOM 88 C VAL A 9 -9.305 1.624 -8.351 1.00 0.00 C ATOM 89 O VAL A 9 -9.321 1.879 -9.555 1.00 0.00 O ATOM 90 CB VAL A 9 -10.214 2.919 -6.420 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.807 4.228 -7.080 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.404 3.126 -5.495 1.00 0.00 C ATOM 0 H VAL A 9 -11.064 0.644 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.355 2.216 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.375 2.565 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.581 4.968 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.924 4.065 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.624 4.590 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.157 3.881 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.264 3.459 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.645 2.187 -4.996 1.00 0.00 H new ATOM 102 N LYS A 10 -8.235 1.140 -7.729 1.00 0.00 N ATOM 103 CA LYS A 10 -6.991 0.873 -8.441 1.00 0.00 C ATOM 104 C LYS A 10 -6.327 -0.397 -7.919 1.00 0.00 C ATOM 105 O LYS A 10 -6.389 -0.696 -6.726 1.00 0.00 O ATOM 106 CB LYS A 10 -6.033 2.058 -8.298 1.00 0.00 C ATOM 107 CG LYS A 10 -4.661 1.806 -8.899 1.00 0.00 C ATOM 108 CD LYS A 10 -3.750 3.011 -8.733 1.00 0.00 C ATOM 109 CE LYS A 10 -2.285 2.604 -8.706 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.850 2.013 -10.002 1.00 0.00 N ATOM 0 H LYS A 10 -8.205 0.925 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.228 0.731 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.475 2.932 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.919 2.297 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.208 0.937 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.764 1.570 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.919 3.711 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.001 3.533 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.670 3.475 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.123 1.882 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.838 1.780 -9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.396 1.148 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.012 2.698 -10.768 1.00 0.00 H new ATOM 124 N SER A 11 -5.693 -1.141 -8.820 1.00 0.00 N ATOM 125 CA SER A 11 -5.019 -2.380 -8.450 1.00 0.00 C ATOM 126 C SER A 11 -3.656 -2.481 -9.127 1.00 0.00 C ATOM 127 O SER A 11 -3.532 -2.272 -10.333 1.00 0.00 O ATOM 128 CB SER A 11 -5.880 -3.586 -8.830 1.00 0.00 C ATOM 129 OG SER A 11 -6.205 -3.566 -10.209 1.00 0.00 O ATOM 0 H SER A 11 -5.632 -0.907 -9.811 1.00 0.00 H new ATOM 0 HA SER A 11 -4.869 -2.374 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.347 -4.507 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.795 -3.585 -8.237 1.00 0.00 H new ATOM 0 HG SER A 11 -5.528 -3.053 -10.697 1.00 0.00 H new ATOM 135 N GLY A 12 -2.633 -2.803 -8.340 1.00 0.00 N ATOM 136 CA GLY A 12 -1.292 -2.926 -8.880 1.00 0.00 C ATOM 137 C GLY A 12 -0.378 -3.736 -7.983 1.00 0.00 C ATOM 138 O GLY A 12 -0.801 -4.228 -6.937 1.00 0.00 O ATOM 0 H GLY A 12 -2.710 -2.981 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.341 -3.395 -9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.868 -1.932 -9.022 1.00 0.00 H new ATOM 142 N TRP A 13 0.878 -3.876 -8.392 1.00 0.00 N ATOM 143 CA TRP A 13 1.854 -4.634 -7.618 1.00 0.00 C ATOM 144 C TRP A 13 2.691 -3.709 -6.741 1.00 0.00 C ATOM 145 O TRP A 13 3.248 -2.720 -7.220 1.00 0.00 O ATOM 146 CB TRP A 13 2.764 -5.435 -8.550 1.00 0.00 C ATOM 147 CG TRP A 13 2.156 -6.724 -9.011 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.717 -7.020 -10.270 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.917 -7.892 -8.217 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.220 -8.300 -10.306 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.332 -8.857 -9.060 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.143 -8.216 -6.876 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.970 -10.121 -8.604 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.783 -9.472 -6.425 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.202 -10.412 -7.287 1.00 0.00 C ATOM 0 H TRP A 13 1.244 -3.475 -9.255 1.00 0.00 H new ATOM 0 HA TRP A 13 1.311 -5.323 -6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.008 -4.825 -9.420 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.702 -5.647 -8.036 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.755 -6.347 -11.113 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.830 -8.761 -11.128 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.591 -7.498 -6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.522 -10.847 -9.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.952 -9.733 -5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.932 -11.385 -6.904 1.00 0.00 H new ATOM 166 N LEU A 14 2.777 -4.035 -5.457 1.00 0.00 N ATOM 167 CA LEU A 14 3.547 -3.233 -4.513 1.00 0.00 C ATOM 168 C LEU A 14 4.225 -4.118 -3.472 1.00 0.00 C ATOM 169 O LEU A 14 3.708 -5.175 -3.108 1.00 0.00 O ATOM 170 CB LEU A 14 2.640 -2.215 -3.820 1.00 0.00 C ATOM 171 CG LEU A 14 1.859 -1.275 -4.740 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.850 -0.464 -3.942 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.809 -0.356 -5.493 1.00 0.00 C ATOM 0 H LEU A 14 2.323 -4.850 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 14 4.319 -2.703 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.927 -2.757 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.252 -1.610 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 14 1.315 -1.878 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.304 0.199 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.150 -1.138 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.372 0.129 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.236 0.306 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.380 0.240 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.492 -0.954 -6.096 1.00 0.00 H new ATOM 185 N LEU A 15 5.385 -3.679 -2.995 1.00 0.00 N ATOM 186 CA LEU A 15 6.134 -4.430 -1.994 1.00 0.00 C ATOM 187 C LEU A 15 5.729 -4.012 -0.584 1.00 0.00 C ATOM 188 O LEU A 15 5.382 -2.855 -0.344 1.00 0.00 O ATOM 189 CB LEU A 15 7.636 -4.220 -2.188 1.00 0.00 C ATOM 190 CG LEU A 15 8.164 -4.425 -3.609 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.374 -3.539 -3.862 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.514 -5.887 -3.842 1.00 0.00 C ATOM 0 H LEU A 15 5.827 -2.807 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 15 5.902 -5.487 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.885 -3.207 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.167 -4.901 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 15 7.380 -4.143 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.736 -3.699 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.092 -2.494 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.163 -3.789 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.888 -6.014 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.281 -6.195 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.624 -6.501 -3.703 1.00 0.00 H new ATOM 204 N ARG A 16 5.777 -4.961 0.346 1.00 0.00 N ATOM 205 CA ARG A 16 5.416 -4.691 1.732 1.00 0.00 C ATOM 206 C ARG A 16 6.450 -5.278 2.688 1.00 0.00 C ATOM 207 O ARG A 16 6.818 -6.447 2.575 1.00 0.00 O ATOM 208 CB ARG A 16 4.033 -5.267 2.043 1.00 0.00 C ATOM 209 CG ARG A 16 3.546 -4.956 3.449 1.00 0.00 C ATOM 210 CD ARG A 16 2.102 -5.391 3.647 1.00 0.00 C ATOM 211 NE ARG A 16 2.001 -6.796 4.030 1.00 0.00 N ATOM 212 CZ ARG A 16 2.322 -7.254 5.235 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.761 -6.422 6.168 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.203 -8.548 5.507 1.00 0.00 N ATOM 0 H ARG A 16 6.062 -5.923 0.164 1.00 0.00 H new ATOM 0 HA ARG A 16 5.391 -3.610 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.315 -4.874 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.060 -6.348 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.182 -5.461 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.634 -3.886 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.639 -4.772 4.415 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.544 -5.226 2.725 1.00 0.00 H new ATOM 0 HE ARG A 16 1.666 -7.462 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.853 -5.427 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.007 -6.776 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.865 -9.191 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.450 -8.899 6.432 1.00 0.00 H new ATOM 228 N GLN A 17 6.914 -4.459 3.626 1.00 0.00 N ATOM 229 CA GLN A 17 7.906 -4.898 4.600 1.00 0.00 C ATOM 230 C GLN A 17 7.270 -5.790 5.661 1.00 0.00 C ATOM 231 O GLN A 17 6.269 -5.424 6.275 1.00 0.00 O ATOM 232 CB GLN A 17 8.570 -3.690 5.263 1.00 0.00 C ATOM 233 CG GLN A 17 9.813 -4.043 6.065 1.00 0.00 C ATOM 234 CD GLN A 17 10.404 -2.845 6.781 1.00 0.00 C ATOM 235 OE1 GLN A 17 9.989 -2.503 7.889 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.379 -2.200 6.152 1.00 0.00 N ATOM 0 H GLN A 17 6.619 -3.488 3.732 1.00 0.00 H new ATOM 0 HA GLN A 17 8.665 -5.477 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.838 -2.965 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.849 -3.205 5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.563 -4.812 6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.562 -4.469 5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.692 -2.518 5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.815 -1.387 6.586 1.00 0.00 H new ATOM 245 N SER A 18 7.859 -6.964 5.871 1.00 0.00 N ATOM 246 CA SER A 18 7.347 -7.910 6.855 1.00 0.00 C ATOM 247 C SER A 18 8.031 -7.714 8.205 1.00 0.00 C ATOM 248 O SER A 18 8.968 -6.925 8.331 1.00 0.00 O ATOM 249 CB SER A 18 7.555 -9.346 6.369 1.00 0.00 C ATOM 250 OG SER A 18 6.565 -10.212 6.897 1.00 0.00 O ATOM 0 H SER A 18 8.690 -7.282 5.373 1.00 0.00 H new ATOM 0 HA SER A 18 6.280 -7.726 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.523 -9.373 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.544 -9.694 6.667 1.00 0.00 H new ATOM 0 HG SER A 18 6.719 -11.123 6.570 1.00 0.00 H new ATOM 256 N THR A 19 7.555 -8.438 9.213 1.00 0.00 N ATOM 257 CA THR A 19 8.119 -8.344 10.554 1.00 0.00 C ATOM 258 C THR A 19 8.916 -9.595 10.905 1.00 0.00 C ATOM 259 O THR A 19 9.771 -9.569 11.790 1.00 0.00 O ATOM 260 CB THR A 19 7.019 -8.136 11.612 1.00 0.00 C ATOM 261 OG1 THR A 19 6.152 -9.275 11.647 1.00 0.00 O ATOM 262 CG2 THR A 19 6.208 -6.884 11.311 1.00 0.00 C ATOM 0 H THR A 19 6.780 -9.096 9.126 1.00 0.00 H new ATOM 0 HA THR A 19 8.784 -7.481 10.557 1.00 0.00 H new ATOM 0 HB THR A 19 7.498 -8.014 12.583 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.456 -9.136 12.323 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.437 -6.758 12.072 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.866 -6.015 11.314 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.739 -6.981 10.332 1.00 0.00 H new ATOM 270 N ILE A 20 8.630 -10.688 10.206 1.00 0.00 N ATOM 271 CA ILE A 20 9.322 -11.949 10.443 1.00 0.00 C ATOM 272 C ILE A 20 10.442 -12.160 9.430 1.00 0.00 C ATOM 273 O ILE A 20 11.522 -12.642 9.774 1.00 0.00 O ATOM 274 CB ILE A 20 8.353 -13.144 10.377 1.00 0.00 C ATOM 275 CG1 ILE A 20 7.300 -13.037 11.483 1.00 0.00 C ATOM 276 CG2 ILE A 20 9.119 -14.454 10.493 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.281 -14.155 11.457 1.00 0.00 C ATOM 0 H ILE A 20 7.924 -10.726 9.471 1.00 0.00 H new ATOM 0 HA ILE A 20 9.748 -11.892 11.445 1.00 0.00 H new ATOM 0 HB ILE A 20 7.844 -13.127 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.801 -13.035 12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.782 -12.082 11.390 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.421 -15.289 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.834 -14.531 9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.652 -14.481 11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.566 -14.015 12.268 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.754 -14.145 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.788 -15.112 11.581 1.00 0.00 H new ATOM 289 N LEU A 21 10.178 -11.795 8.181 1.00 0.00 N ATOM 290 CA LEU A 21 11.165 -11.942 7.116 1.00 0.00 C ATOM 291 C LEU A 21 12.041 -10.698 7.009 1.00 0.00 C ATOM 292 O LEU A 21 12.974 -10.650 6.208 1.00 0.00 O ATOM 293 CB LEU A 21 10.467 -12.205 5.780 1.00 0.00 C ATOM 294 CG LEU A 21 9.938 -13.624 5.567 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.685 -13.857 6.397 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.657 -13.873 4.093 1.00 0.00 C ATOM 0 H LEU A 21 9.289 -11.395 7.880 1.00 0.00 H new ATOM 0 HA LEU A 21 11.802 -12.792 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.633 -11.510 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.166 -11.975 4.976 1.00 0.00 H new ATOM 0 HG LEU A 21 10.702 -14.329 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.323 -14.872 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.918 -13.722 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.915 -13.145 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.281 -14.888 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.911 -13.161 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.577 -13.749 3.521 1.00 0.00 H new ATOM 308 N LYS A 22 11.735 -9.694 7.824 1.00 0.00 N ATOM 309 CA LYS A 22 12.495 -8.450 7.824 1.00 0.00 C ATOM 310 C LYS A 22 12.978 -8.107 6.419 1.00 0.00 C ATOM 311 O LYS A 22 14.157 -7.824 6.209 1.00 0.00 O ATOM 312 CB LYS A 22 13.691 -8.560 8.773 1.00 0.00 C ATOM 313 CG LYS A 22 13.307 -8.531 10.242 1.00 0.00 C ATOM 314 CD LYS A 22 12.979 -7.121 10.705 1.00 0.00 C ATOM 315 CE LYS A 22 12.579 -7.095 12.172 1.00 0.00 C ATOM 316 NZ LYS A 22 11.761 -5.895 12.502 1.00 0.00 N ATOM 0 H LYS A 22 10.966 -9.718 8.493 1.00 0.00 H new ATOM 0 HA LYS A 22 11.837 -7.652 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.226 -9.487 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.381 -7.741 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.446 -9.179 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.125 -8.930 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.844 -6.476 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.168 -6.717 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.014 -7.996 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.475 -7.106 12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.508 -5.914 13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.309 -5.035 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.894 -5.897 11.928 1.00 0.00 H new ATOM 330 N ARG A 23 12.058 -8.131 5.460 1.00 0.00 N ATOM 331 CA ARG A 23 12.390 -7.822 4.074 1.00 0.00 C ATOM 332 C ARG A 23 11.145 -7.403 3.297 1.00 0.00 C ATOM 333 O ARG A 23 10.029 -7.474 3.810 1.00 0.00 O ATOM 334 CB ARG A 23 13.041 -9.032 3.401 1.00 0.00 C ATOM 335 CG ARG A 23 12.041 -10.008 2.804 1.00 0.00 C ATOM 336 CD ARG A 23 12.735 -11.087 1.987 1.00 0.00 C ATOM 337 NE ARG A 23 13.239 -12.170 2.828 1.00 0.00 N ATOM 338 CZ ARG A 23 14.407 -12.128 3.459 1.00 0.00 C ATOM 339 NH1 ARG A 23 15.188 -11.062 3.345 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.797 -13.153 4.205 1.00 0.00 N ATOM 0 H ARG A 23 11.077 -8.361 5.617 1.00 0.00 H new ATOM 0 HA ARG A 23 13.095 -6.991 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.710 -8.683 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.656 -9.557 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.462 -10.471 3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.337 -9.468 2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.037 -11.492 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.562 -10.645 1.430 1.00 0.00 H new ATOM 0 HE ARG A 23 12.662 -13.004 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.892 -10.272 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.084 -11.032 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.200 -13.975 4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.694 -13.119 4.689 1.00 0.00 H new ATOM 354 N TRP A 24 11.347 -6.967 2.059 1.00 0.00 N ATOM 355 CA TRP A 24 10.240 -6.536 1.212 1.00 0.00 C ATOM 356 C TRP A 24 9.760 -7.677 0.322 1.00 0.00 C ATOM 357 O TRP A 24 10.557 -8.332 -0.351 1.00 0.00 O ATOM 358 CB TRP A 24 10.665 -5.345 0.350 1.00 0.00 C ATOM 359 CG TRP A 24 11.006 -4.125 1.151 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.170 -3.884 1.822 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.173 -2.980 1.364 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.111 -2.658 2.440 1.00 0.00 N ATOM 363 CE2 TRP A 24 10.897 -2.083 2.174 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.887 -2.624 0.949 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.376 -0.857 2.576 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.371 -1.406 1.349 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.114 -0.534 2.155 1.00 0.00 C ATOM 0 H TRP A 24 12.265 -6.902 1.620 1.00 0.00 H new ATOM 0 HA TRP A 24 9.416 -6.233 1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.529 -5.630 -0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.860 -5.102 -0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.013 -4.558 1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.852 -2.243 3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.307 -3.289 0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.947 -0.184 3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.378 -1.122 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.683 0.411 2.450 1.00 0.00 H new ATOM 378 N LYS A 25 8.452 -7.911 0.322 1.00 0.00 N ATOM 379 CA LYS A 25 7.864 -8.973 -0.486 1.00 0.00 C ATOM 380 C LYS A 25 6.773 -8.421 -1.399 1.00 0.00 C ATOM 381 O LYS A 25 5.983 -7.568 -0.994 1.00 0.00 O ATOM 382 CB LYS A 25 7.286 -10.067 0.414 1.00 0.00 C ATOM 383 CG LYS A 25 6.145 -9.589 1.296 1.00 0.00 C ATOM 384 CD LYS A 25 5.310 -10.751 1.806 1.00 0.00 C ATOM 385 CE LYS A 25 4.418 -10.330 2.965 1.00 0.00 C ATOM 386 NZ LYS A 25 3.985 -8.911 2.844 1.00 0.00 N ATOM 0 H LYS A 25 7.778 -7.379 0.873 1.00 0.00 H new ATOM 0 HA LYS A 25 8.651 -9.401 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.933 -10.889 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.081 -10.464 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.547 -9.030 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.511 -8.904 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.695 -11.142 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.967 -11.560 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.541 -10.976 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.954 -10.467 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.052 -8.794 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.675 -8.296 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.926 -8.651 1.839 1.00 0.00 H new ATOM 400 N LYS A 26 6.734 -8.914 -2.632 1.00 0.00 N ATOM 401 CA LYS A 26 5.738 -8.473 -3.602 1.00 0.00 C ATOM 402 C LYS A 26 4.337 -8.902 -3.176 1.00 0.00 C ATOM 403 O LYS A 26 4.107 -10.065 -2.847 1.00 0.00 O ATOM 404 CB LYS A 26 6.058 -9.041 -4.986 1.00 0.00 C ATOM 405 CG LYS A 26 5.455 -8.240 -6.127 1.00 0.00 C ATOM 406 CD LYS A 26 6.140 -8.547 -7.448 1.00 0.00 C ATOM 407 CE LYS A 26 5.370 -7.966 -8.624 1.00 0.00 C ATOM 408 NZ LYS A 26 6.023 -8.281 -9.924 1.00 0.00 N ATOM 0 H LYS A 26 7.381 -9.620 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 26 5.768 -7.384 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.140 -9.079 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.694 -10.067 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.391 -8.464 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.541 -7.175 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.151 -8.141 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.231 -9.626 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.354 -8.360 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.293 -6.885 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.468 -7.868 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.984 -7.883 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.074 -9.313 -10.046 1.00 0.00 H new ATOM 422 N ASN A 27 3.405 -7.955 -3.187 1.00 0.00 N ATOM 423 CA ASN A 27 2.026 -8.235 -2.803 1.00 0.00 C ATOM 424 C ASN A 27 1.047 -7.562 -3.761 1.00 0.00 C ATOM 425 O ASN A 27 1.423 -6.674 -4.526 1.00 0.00 O ATOM 426 CB ASN A 27 1.766 -7.759 -1.372 1.00 0.00 C ATOM 427 CG ASN A 27 2.610 -8.501 -0.354 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.522 -7.933 0.246 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.308 -9.779 -0.154 1.00 0.00 N ATOM 0 H ASN A 27 3.579 -6.987 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 27 1.873 -9.313 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.974 -6.691 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.711 -7.894 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.841 -10.330 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.543 -10.210 -0.674 1.00 0.00 H new ATOM 436 N TRP A 28 -0.209 -7.991 -3.711 1.00 0.00 N ATOM 437 CA TRP A 28 -1.242 -7.430 -4.574 1.00 0.00 C ATOM 438 C TRP A 28 -2.211 -6.568 -3.772 1.00 0.00 C ATOM 439 O TRP A 28 -2.936 -7.068 -2.912 1.00 0.00 O ATOM 440 CB TRP A 28 -2.004 -8.548 -5.286 1.00 0.00 C ATOM 441 CG TRP A 28 -2.922 -8.051 -6.362 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.271 -8.248 -6.444 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.557 -7.275 -7.509 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.766 -7.642 -7.573 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.735 -7.038 -8.243 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.350 -6.757 -7.986 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.739 -6.306 -9.427 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.356 -6.031 -9.162 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.544 -5.810 -9.871 1.00 0.00 C ATOM 0 H TRP A 28 -0.536 -8.725 -3.083 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.756 -6.801 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.288 -9.245 -5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.585 -9.106 -4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.861 -8.799 -5.727 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.743 -7.642 -7.865 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.429 -6.921 -7.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.653 -6.136 -9.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.429 -5.627 -9.541 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.516 -5.237 -10.786 1.00 0.00 H new ATOM 460 N PHE A 29 -2.220 -5.271 -4.060 1.00 0.00 N ATOM 461 CA PHE A 29 -3.101 -4.339 -3.365 1.00 0.00 C ATOM 462 C PHE A 29 -4.323 -4.008 -4.216 1.00 0.00 C ATOM 463 O PHE A 29 -4.276 -4.081 -5.444 1.00 0.00 O ATOM 464 CB PHE A 29 -2.346 -3.055 -3.015 1.00 0.00 C ATOM 465 CG PHE A 29 -1.306 -3.243 -1.947 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.064 -3.772 -2.257 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.572 -2.891 -0.634 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.895 -3.946 -1.277 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.617 -3.062 0.350 1.00 0.00 C ATOM 470 CZ PHE A 29 0.618 -3.591 0.029 1.00 0.00 C ATOM 0 H PHE A 29 -1.627 -4.841 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.439 -4.816 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.866 -2.669 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.061 -2.301 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.158 -4.052 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.536 -2.478 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.860 -4.359 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.836 -2.782 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.365 -3.727 0.797 1.00 0.00 H new ATOM 480 N ASP A 30 -5.416 -3.645 -3.554 1.00 0.00 N ATOM 481 CA ASP A 30 -6.652 -3.302 -4.249 1.00 0.00 C ATOM 482 C ASP A 30 -7.536 -2.415 -3.378 1.00 0.00 C ATOM 483 O ASP A 30 -8.062 -2.856 -2.355 1.00 0.00 O ATOM 484 CB ASP A 30 -7.410 -4.571 -4.642 1.00 0.00 C ATOM 485 CG ASP A 30 -6.641 -5.421 -5.633 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.776 -6.209 -5.194 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.904 -5.301 -6.847 1.00 0.00 O ATOM 0 H ASP A 30 -5.472 -3.581 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.392 -2.750 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.617 -5.159 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.373 -4.297 -5.073 1.00 0.00 H new ATOM 492 N LEU A 31 -7.696 -1.162 -3.789 1.00 0.00 N ATOM 493 CA LEU A 31 -8.516 -0.211 -3.047 1.00 0.00 C ATOM 494 C LEU A 31 -9.984 -0.330 -3.445 1.00 0.00 C ATOM 495 O LEU A 31 -10.303 -0.558 -4.612 1.00 0.00 O ATOM 496 CB LEU A 31 -8.024 1.217 -3.290 1.00 0.00 C ATOM 497 CG LEU A 31 -8.584 2.288 -2.354 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.855 2.266 -1.020 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.481 3.664 -2.997 1.00 0.00 C ATOM 0 H LEU A 31 -7.268 -0.781 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.426 -0.444 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.937 1.224 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.269 1.495 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.637 2.070 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.268 3.035 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.980 1.289 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.794 2.458 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.884 4.414 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.436 3.890 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.049 3.674 -3.927 1.00 0.00 H new ATOM 511 N TRP A 32 -10.871 -0.172 -2.470 1.00 0.00 N ATOM 512 CA TRP A 32 -12.305 -0.260 -2.720 1.00 0.00 C ATOM 513 C TRP A 32 -12.909 1.126 -2.916 1.00 0.00 C ATOM 514 O TRP A 32 -12.228 2.139 -2.755 1.00 0.00 O ATOM 515 CB TRP A 32 -13.003 -0.974 -1.561 1.00 0.00 C ATOM 516 CG TRP A 32 -12.687 -2.438 -1.489 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.458 -3.019 -1.623 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.616 -3.505 -1.268 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.567 -4.383 -1.499 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.880 -4.706 -1.280 1.00 0.00 C ATOM 521 CE3 TRP A 32 -14.996 -3.563 -1.060 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.481 -5.948 -1.092 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.591 -4.796 -0.874 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.834 -5.975 -0.890 1.00 0.00 C ATOM 0 H TRP A 32 -10.623 0.018 -1.499 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.455 -0.834 -3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.712 -0.500 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.081 -0.847 -1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.536 -2.485 -1.800 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.795 -5.047 -1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.588 -2.660 -1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.900 -6.858 -1.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.658 -4.852 -0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.328 -6.924 -0.740 1.00 0.00 H new ATOM 535 N SER A 33 -14.191 1.165 -3.264 1.00 0.00 N ATOM 536 CA SER A 33 -14.886 2.428 -3.486 1.00 0.00 C ATOM 537 C SER A 33 -15.202 3.113 -2.160 1.00 0.00 C ATOM 538 O SER A 33 -15.261 4.341 -2.082 1.00 0.00 O ATOM 539 CB SER A 33 -16.177 2.193 -4.273 1.00 0.00 C ATOM 540 OG SER A 33 -17.013 3.336 -4.233 1.00 0.00 O ATOM 0 H SER A 33 -14.770 0.336 -3.398 1.00 0.00 H new ATOM 0 HA SER A 33 -14.231 3.079 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.937 1.950 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.708 1.335 -3.860 1.00 0.00 H new ATOM 0 HG SER A 33 -17.831 3.161 -4.744 1.00 0.00 H new ATOM 546 N ASP A 34 -15.406 2.312 -1.121 1.00 0.00 N ATOM 547 CA ASP A 34 -15.716 2.840 0.203 1.00 0.00 C ATOM 548 C ASP A 34 -14.439 3.192 0.960 1.00 0.00 C ATOM 549 O ASP A 34 -14.486 3.614 2.114 1.00 0.00 O ATOM 550 CB ASP A 34 -16.533 1.824 1.002 1.00 0.00 C ATOM 551 CG ASP A 34 -18.026 1.987 0.791 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.612 2.911 1.393 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.607 1.191 0.024 1.00 0.00 O ATOM 0 H ASP A 34 -15.362 1.294 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.304 3.749 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.236 0.816 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.305 1.932 2.062 1.00 0.00 H new ATOM 558 N GLY A 35 -13.298 3.015 0.300 1.00 0.00 N ATOM 559 CA GLY A 35 -12.024 3.318 0.927 1.00 0.00 C ATOM 560 C GLY A 35 -11.309 2.075 1.416 1.00 0.00 C ATOM 561 O GLY A 35 -10.082 1.989 1.349 1.00 0.00 O ATOM 0 H GLY A 35 -13.233 2.668 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.388 3.843 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.187 3.994 1.767 1.00 0.00 H new ATOM 565 N HIS A 36 -12.076 1.108 1.911 1.00 0.00 N ATOM 566 CA HIS A 36 -11.507 -0.137 2.415 1.00 0.00 C ATOM 567 C HIS A 36 -10.425 -0.660 1.475 1.00 0.00 C ATOM 568 O HIS A 36 -10.604 -0.680 0.256 1.00 0.00 O ATOM 569 CB HIS A 36 -12.602 -1.189 2.587 1.00 0.00 C ATOM 570 CG HIS A 36 -13.282 -1.134 3.921 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.531 -0.579 4.106 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.881 -1.570 5.138 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.867 -0.675 5.380 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.883 -1.272 6.028 1.00 0.00 N ATOM 0 H HIS A 36 -13.093 1.163 1.974 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.053 0.066 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.347 -1.057 1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.168 -2.179 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.947 -2.061 5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.790 -0.325 5.818 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.870 -1.478 7.027 1.00 0.00 H new ATOM 583 N LEU A 37 -9.303 -1.081 2.048 1.00 0.00 N ATOM 584 CA LEU A 37 -8.191 -1.603 1.261 1.00 0.00 C ATOM 585 C LEU A 37 -7.912 -3.061 1.614 1.00 0.00 C ATOM 586 O LEU A 37 -7.780 -3.412 2.787 1.00 0.00 O ATOM 587 CB LEU A 37 -6.936 -0.761 1.494 1.00 0.00 C ATOM 588 CG LEU A 37 -5.664 -1.246 0.796 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.823 -1.174 -0.714 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.463 -0.427 1.248 1.00 0.00 C ATOM 0 H LEU A 37 -9.139 -1.071 3.055 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.466 -1.549 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.140 0.258 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.745 -0.719 2.566 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.494 -2.286 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.908 -1.523 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.657 -1.804 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.018 -0.143 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.567 -0.785 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.624 0.622 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.337 -0.531 2.326 1.00 0.00 H new ATOM 602 N ILE A 38 -7.822 -3.905 0.591 1.00 0.00 N ATOM 603 CA ILE A 38 -7.555 -5.323 0.793 1.00 0.00 C ATOM 604 C ILE A 38 -6.521 -5.836 -0.204 1.00 0.00 C ATOM 605 O ILE A 38 -6.657 -5.638 -1.411 1.00 0.00 O ATOM 606 CB ILE A 38 -8.840 -6.162 0.660 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.966 -5.546 1.493 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.581 -7.599 1.089 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.317 -6.180 1.246 1.00 0.00 C ATOM 0 H ILE A 38 -7.930 -3.631 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.164 -5.429 1.805 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.148 -6.165 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.718 -5.639 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.028 -4.480 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.498 -8.179 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.806 -8.033 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.253 -7.615 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.067 -5.694 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.587 -6.063 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.272 -7.241 1.493 1.00 0.00 H new ATOM 621 N TYR A 39 -5.489 -6.496 0.310 1.00 0.00 N ATOM 622 CA TYR A 39 -4.431 -7.037 -0.535 1.00 0.00 C ATOM 623 C TYR A 39 -4.400 -8.560 -0.461 1.00 0.00 C ATOM 624 O TYR A 39 -4.981 -9.161 0.443 1.00 0.00 O ATOM 625 CB TYR A 39 -3.075 -6.467 -0.117 1.00 0.00 C ATOM 626 CG TYR A 39 -2.980 -6.148 1.358 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.670 -5.071 1.901 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.203 -6.924 2.208 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.586 -4.775 3.248 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.114 -6.636 3.557 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.807 -5.561 4.072 1.00 0.00 C ATOM 632 OH TYR A 39 -2.722 -5.270 5.414 1.00 0.00 O ATOM 0 H TYR A 39 -5.363 -6.669 1.307 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.638 -6.746 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.294 -7.182 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.880 -5.560 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.282 -4.455 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.659 -7.767 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.127 -3.933 3.654 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.505 -7.250 4.204 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.557 -4.851 5.711 1.00 0.00 H new ATOM 642 N TYR A 40 -3.718 -9.179 -1.418 1.00 0.00 N ATOM 643 CA TYR A 40 -3.612 -10.632 -1.464 1.00 0.00 C ATOM 644 C TYR A 40 -2.164 -11.066 -1.673 1.00 0.00 C ATOM 645 O TYR A 40 -1.323 -10.276 -2.102 1.00 0.00 O ATOM 646 CB TYR A 40 -4.491 -11.194 -2.583 1.00 0.00 C ATOM 647 CG TYR A 40 -5.913 -10.682 -2.551 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.228 -9.416 -3.029 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.942 -11.465 -2.042 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.526 -8.944 -3.000 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.243 -11.002 -2.011 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.530 -9.741 -2.491 1.00 0.00 C ATOM 653 OH TYR A 40 -9.825 -9.275 -2.462 1.00 0.00 O ATOM 0 H TYR A 40 -3.230 -8.697 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.957 -11.026 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.045 -10.942 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.504 -12.282 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.445 -8.790 -3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.721 -12.452 -1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.753 -7.957 -3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.031 -11.624 -1.613 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.410 -9.959 -2.074 1.00 0.00 H new ATOM 663 N ASP A 41 -1.882 -12.328 -1.367 1.00 0.00 N ATOM 664 CA ASP A 41 -0.537 -12.869 -1.522 1.00 0.00 C ATOM 665 C ASP A 41 -0.091 -12.807 -2.980 1.00 0.00 C ATOM 666 O ASP A 41 1.026 -12.385 -3.280 1.00 0.00 O ATOM 667 CB ASP A 41 -0.484 -14.313 -1.021 1.00 0.00 C ATOM 668 CG ASP A 41 0.821 -15.001 -1.370 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.885 -14.507 -0.942 1.00 0.00 O ATOM 670 OD2 ASP A 41 0.778 -16.033 -2.071 1.00 0.00 O ATOM 0 H ASP A 41 -2.567 -12.995 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 41 0.143 -12.261 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.619 -14.324 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.313 -14.874 -1.451 1.00 0.00 H new ATOM 675 N ASP A 42 -0.970 -13.232 -3.881 1.00 0.00 N ATOM 676 CA ASP A 42 -0.667 -13.225 -5.307 1.00 0.00 C ATOM 677 C ASP A 42 -1.827 -12.640 -6.106 1.00 0.00 C ATOM 678 O ASP A 42 -2.813 -12.175 -5.536 1.00 0.00 O ATOM 679 CB ASP A 42 -0.361 -14.643 -5.792 1.00 0.00 C ATOM 680 CG ASP A 42 -1.143 -15.696 -5.032 1.00 0.00 C ATOM 681 OD1 ASP A 42 -2.143 -15.335 -4.377 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.754 -16.882 -5.091 1.00 0.00 O ATOM 0 H ASP A 42 -1.898 -13.586 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 42 0.211 -12.598 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.593 -14.719 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.706 -14.839 -5.684 1.00 0.00 H new ATOM 687 N GLN A 43 -1.701 -12.666 -7.429 1.00 0.00 N ATOM 688 CA GLN A 43 -2.739 -12.136 -8.306 1.00 0.00 C ATOM 689 C GLN A 43 -3.989 -13.008 -8.258 1.00 0.00 C ATOM 690 O GLN A 43 -5.056 -12.610 -8.727 1.00 0.00 O ATOM 691 CB GLN A 43 -2.223 -12.042 -9.743 1.00 0.00 C ATOM 692 CG GLN A 43 -1.878 -13.391 -10.355 1.00 0.00 C ATOM 693 CD GLN A 43 -0.522 -13.903 -9.910 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.509 -13.290 -10.190 1.00 0.00 O ATOM 695 NE2 GLN A 43 -0.515 -15.033 -9.213 1.00 0.00 N ATOM 0 H GLN A 43 -0.891 -13.048 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.001 -11.138 -7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.978 -11.555 -10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.337 -11.407 -9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.644 -14.117 -10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.892 -13.307 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.393 -15.508 -9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.368 -15.426 -8.887 1.00 0.00 H new ATOM 704 N THR A 44 -3.851 -14.201 -7.688 1.00 0.00 N ATOM 705 CA THR A 44 -4.969 -15.130 -7.580 1.00 0.00 C ATOM 706 C THR A 44 -6.003 -14.633 -6.576 1.00 0.00 C ATOM 707 O THR A 44 -7.141 -15.101 -6.559 1.00 0.00 O ATOM 708 CB THR A 44 -4.494 -16.534 -7.158 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.603 -16.434 -6.042 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.795 -17.238 -8.311 1.00 0.00 C ATOM 0 H THR A 44 -2.976 -14.547 -7.294 1.00 0.00 H new ATOM 0 HA THR A 44 -5.426 -15.190 -8.568 1.00 0.00 H new ATOM 0 HB THR A 44 -5.368 -17.119 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.670 -15.539 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.469 -18.227 -7.989 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.486 -17.338 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.929 -16.654 -8.623 1.00 0.00 H new ATOM 718 N ARG A 45 -5.599 -13.681 -5.740 1.00 0.00 N ATOM 719 CA ARG A 45 -6.491 -13.121 -4.733 1.00 0.00 C ATOM 720 C ARG A 45 -7.334 -14.214 -4.084 1.00 0.00 C ATOM 721 O ARG A 45 -8.505 -14.004 -3.770 1.00 0.00 O ATOM 722 CB ARG A 45 -7.403 -12.064 -5.359 1.00 0.00 C ATOM 723 CG ARG A 45 -6.657 -10.839 -5.865 1.00 0.00 C ATOM 724 CD ARG A 45 -7.601 -9.670 -6.098 1.00 0.00 C ATOM 725 NE ARG A 45 -8.192 -9.700 -7.433 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.812 -8.664 -7.986 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.921 -7.521 -7.322 1.00 0.00 N ATOM 728 NH2 ARG A 45 -9.324 -8.769 -9.206 1.00 0.00 N ATOM 0 H ARG A 45 -4.660 -13.282 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.878 -12.653 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.951 -12.513 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.142 -11.750 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.893 -10.553 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.142 -11.083 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.394 -9.690 -5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.059 -8.734 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.125 -10.564 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.528 -7.436 -6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.398 -6.727 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.242 -9.646 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.800 -7.973 -9.630 1.00 0.00 H new ATOM 742 N GLN A 46 -6.729 -15.382 -3.886 1.00 0.00 N ATOM 743 CA GLN A 46 -7.425 -16.508 -3.276 1.00 0.00 C ATOM 744 C GLN A 46 -7.166 -16.559 -1.774 1.00 0.00 C ATOM 745 O GLN A 46 -7.950 -17.133 -1.018 1.00 0.00 O ATOM 746 CB GLN A 46 -6.983 -17.821 -3.926 1.00 0.00 C ATOM 747 CG GLN A 46 -7.657 -18.096 -5.260 1.00 0.00 C ATOM 748 CD GLN A 46 -7.548 -19.548 -5.681 1.00 0.00 C ATOM 749 OE1 GLN A 46 -8.503 -20.316 -5.557 1.00 0.00 O ATOM 750 NE2 GLN A 46 -6.380 -19.934 -6.181 1.00 0.00 N ATOM 0 H GLN A 46 -5.759 -15.572 -4.139 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.494 -16.372 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.903 -17.799 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.196 -18.644 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.709 -17.819 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.208 -17.465 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.615 -19.264 -6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.248 -20.900 -6.480 1.00 0.00 H new ATOM 759 N SER A 47 -6.062 -15.954 -1.348 1.00 0.00 N ATOM 760 CA SER A 47 -5.698 -15.934 0.064 1.00 0.00 C ATOM 761 C SER A 47 -5.582 -14.501 0.575 1.00 0.00 C ATOM 762 O SER A 47 -4.501 -13.911 0.563 1.00 0.00 O ATOM 763 CB SER A 47 -4.376 -16.673 0.282 1.00 0.00 C ATOM 764 OG SER A 47 -4.595 -18.057 0.491 1.00 0.00 O ATOM 0 H SER A 47 -5.404 -15.471 -1.960 1.00 0.00 H new ATOM 0 HA SER A 47 -6.485 -16.439 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.729 -16.530 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.856 -16.250 1.142 1.00 0.00 H new ATOM 0 HG SER A 47 -3.735 -18.508 0.626 1.00 0.00 H new ATOM 770 N ILE A 48 -6.704 -13.946 1.022 1.00 0.00 N ATOM 771 CA ILE A 48 -6.729 -12.583 1.538 1.00 0.00 C ATOM 772 C ILE A 48 -5.651 -12.376 2.595 1.00 0.00 C ATOM 773 O ILE A 48 -5.800 -12.804 3.739 1.00 0.00 O ATOM 774 CB ILE A 48 -8.102 -12.236 2.145 1.00 0.00 C ATOM 775 CG1 ILE A 48 -9.173 -12.206 1.053 1.00 0.00 C ATOM 776 CG2 ILE A 48 -8.037 -10.900 2.870 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.568 -12.484 1.569 1.00 0.00 C ATOM 0 H ILE A 48 -7.607 -14.419 1.037 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.537 -11.922 0.693 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.370 -13.006 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.161 -11.229 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.923 -12.943 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.014 -10.668 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.299 -10.956 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.752 -10.118 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.276 -12.447 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.596 -13.473 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.838 -11.733 2.311 1.00 0.00 H new ATOM 789 N GLU A 49 -4.566 -11.715 2.205 1.00 0.00 N ATOM 790 CA GLU A 49 -3.462 -11.449 3.120 1.00 0.00 C ATOM 791 C GLU A 49 -3.955 -10.725 4.370 1.00 0.00 C ATOM 792 O GLU A 49 -3.727 -11.176 5.492 1.00 0.00 O ATOM 793 CB GLU A 49 -2.383 -10.616 2.426 1.00 0.00 C ATOM 794 CG GLU A 49 -1.332 -11.452 1.716 1.00 0.00 C ATOM 795 CD GLU A 49 -0.553 -12.341 2.667 1.00 0.00 C ATOM 796 OE1 GLU A 49 -1.060 -13.427 3.015 1.00 0.00 O ATOM 797 OE2 GLU A 49 0.565 -11.949 3.062 1.00 0.00 O ATOM 0 H GLU A 49 -4.428 -11.354 1.261 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.034 -12.405 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.857 -9.953 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.893 -9.983 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.815 -12.071 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.640 -10.792 1.193 1.00 0.00 H new ATOM 804 N ASP A 50 -4.629 -9.598 4.166 1.00 0.00 N ATOM 805 CA ASP A 50 -5.155 -8.810 5.275 1.00 0.00 C ATOM 806 C ASP A 50 -6.053 -7.688 4.766 1.00 0.00 C ATOM 807 O ASP A 50 -6.174 -7.473 3.559 1.00 0.00 O ATOM 808 CB ASP A 50 -4.008 -8.227 6.102 1.00 0.00 C ATOM 809 CG ASP A 50 -4.391 -8.015 7.554 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.117 -7.040 7.839 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.964 -8.824 8.405 1.00 0.00 O ATOM 0 H ASP A 50 -4.824 -9.210 3.243 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.751 -9.469 5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.149 -8.896 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.698 -7.276 5.668 1.00 0.00 H new ATOM 816 N LYS A 51 -6.682 -6.974 5.693 1.00 0.00 N ATOM 817 CA LYS A 51 -7.570 -5.872 5.340 1.00 0.00 C ATOM 818 C LYS A 51 -7.336 -4.671 6.251 1.00 0.00 C ATOM 819 O LYS A 51 -7.062 -4.826 7.441 1.00 0.00 O ATOM 820 CB LYS A 51 -9.031 -6.318 5.431 1.00 0.00 C ATOM 821 CG LYS A 51 -10.022 -5.167 5.400 1.00 0.00 C ATOM 822 CD LYS A 51 -11.417 -5.621 5.795 1.00 0.00 C ATOM 823 CE LYS A 51 -12.127 -6.310 4.640 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.320 -7.074 5.098 1.00 0.00 N ATOM 0 H LYS A 51 -6.593 -7.139 6.696 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.350 -5.576 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.247 -6.995 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.173 -6.884 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.689 -4.381 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.049 -4.736 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.352 -6.303 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.002 -4.761 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.433 -5.565 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.434 -6.986 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.776 -7.529 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.025 -7.802 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.994 -6.426 5.554 1.00 0.00 H new ATOM 838 N VAL A 52 -7.447 -3.474 5.684 1.00 0.00 N ATOM 839 CA VAL A 52 -7.251 -2.247 6.446 1.00 0.00 C ATOM 840 C VAL A 52 -7.891 -1.055 5.743 1.00 0.00 C ATOM 841 O VAL A 52 -7.664 -0.826 4.555 1.00 0.00 O ATOM 842 CB VAL A 52 -5.754 -1.956 6.666 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.545 -0.504 7.068 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.177 -2.896 7.713 1.00 0.00 C ATOM 0 H VAL A 52 -7.672 -3.328 4.700 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.731 -2.395 7.413 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.227 -2.127 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.482 -0.318 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.920 0.149 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.084 -0.302 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.119 -2.676 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.706 -2.759 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.292 -3.927 7.379 1.00 0.00 H new ATOM 854 N HIS A 53 -8.691 -0.297 6.486 1.00 0.00 N ATOM 855 CA HIS A 53 -9.364 0.874 5.934 1.00 0.00 C ATOM 856 C HIS A 53 -8.386 2.032 5.761 1.00 0.00 C ATOM 857 O HIS A 53 -7.271 1.997 6.280 1.00 0.00 O ATOM 858 CB HIS A 53 -10.520 1.298 6.840 1.00 0.00 C ATOM 859 CG HIS A 53 -11.693 1.856 6.094 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.877 2.208 6.707 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.859 2.123 4.777 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.721 2.666 5.799 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.127 2.625 4.620 1.00 0.00 N ATOM 0 H HIS A 53 -8.889 -0.472 7.471 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.760 0.607 4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.847 0.438 7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.161 2.046 7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.130 1.970 3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.725 3.014 5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.543 2.919 3.736 1.00 0.00 H new ATOM 872 N MET A 54 -8.811 3.055 5.027 1.00 0.00 N ATOM 873 CA MET A 54 -7.973 4.223 4.786 1.00 0.00 C ATOM 874 C MET A 54 -8.416 5.399 5.652 1.00 0.00 C ATOM 875 O MET A 54 -7.732 5.800 6.594 1.00 0.00 O ATOM 876 CB MET A 54 -8.020 4.616 3.309 1.00 0.00 C ATOM 877 CG MET A 54 -6.876 4.041 2.490 1.00 0.00 C ATOM 878 SD MET A 54 -5.261 4.607 3.058 1.00 0.00 S ATOM 879 CE MET A 54 -5.454 6.382 2.909 1.00 0.00 C ATOM 0 H MET A 54 -9.731 3.098 4.589 1.00 0.00 H new ATOM 0 HA MET A 54 -6.948 3.964 5.053 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.965 4.281 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.002 5.703 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.912 2.953 2.537 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.007 4.320 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.474 6.847 2.803 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.061 6.610 2.033 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.945 6.771 3.801 1.00 0.00 H new ATOM 889 N PRO A 55 -9.588 5.965 5.326 1.00 0.00 N ATOM 890 CA PRO A 55 -10.148 7.103 6.062 1.00 0.00 C ATOM 891 C PRO A 55 -10.612 6.716 7.462 1.00 0.00 C ATOM 892 O PRO A 55 -11.157 7.540 8.196 1.00 0.00 O ATOM 893 CB PRO A 55 -11.341 7.528 5.202 1.00 0.00 C ATOM 894 CG PRO A 55 -11.731 6.297 4.459 1.00 0.00 C ATOM 895 CD PRO A 55 -10.455 5.539 4.216 1.00 0.00 C ATOM 0 HA PRO A 55 -9.412 7.892 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.162 7.895 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.070 8.333 4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.436 5.699 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.221 6.548 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.620 4.462 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.019 5.786 3.248 1.00 0.00 H new ATOM 903 N VAL A 56 -10.393 5.456 7.826 1.00 0.00 N ATOM 904 CA VAL A 56 -10.788 4.960 9.139 1.00 0.00 C ATOM 905 C VAL A 56 -9.591 4.392 9.894 1.00 0.00 C ATOM 906 O VAL A 56 -9.383 4.698 11.068 1.00 0.00 O ATOM 907 CB VAL A 56 -11.873 3.873 9.025 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.029 3.135 10.346 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.195 4.484 8.587 1.00 0.00 C ATOM 0 H VAL A 56 -9.944 4.760 7.230 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.192 5.809 9.690 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.564 3.153 8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.800 2.371 10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.083 2.664 10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.316 3.841 11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.950 3.702 8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.513 5.226 9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.070 4.963 7.616 1.00 0.00 H new ATOM 919 N ASP A 57 -8.808 3.564 9.212 1.00 0.00 N ATOM 920 CA ASP A 57 -7.630 2.954 9.818 1.00 0.00 C ATOM 921 C ASP A 57 -6.413 3.863 9.677 1.00 0.00 C ATOM 922 O ASP A 57 -5.669 4.074 10.635 1.00 0.00 O ATOM 923 CB ASP A 57 -7.345 1.596 9.175 1.00 0.00 C ATOM 924 CG ASP A 57 -6.730 0.611 10.149 1.00 0.00 C ATOM 925 OD1 ASP A 57 -6.073 1.060 11.111 1.00 0.00 O ATOM 926 OD2 ASP A 57 -6.904 -0.610 9.949 1.00 0.00 O ATOM 0 H ASP A 57 -8.967 3.300 8.240 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.832 2.810 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.273 1.182 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.673 1.732 8.328 1.00 0.00 H new ATOM 931 N CYS A 58 -6.217 4.397 8.477 1.00 0.00 N ATOM 932 CA CYS A 58 -5.089 5.283 8.210 1.00 0.00 C ATOM 933 C CYS A 58 -5.418 6.718 8.606 1.00 0.00 C ATOM 934 O CYS A 58 -6.531 7.194 8.380 1.00 0.00 O ATOM 935 CB CYS A 58 -4.707 5.224 6.730 1.00 0.00 C ATOM 936 SG CYS A 58 -3.567 6.527 6.209 1.00 0.00 S ATOM 0 H CYS A 58 -6.824 4.232 7.674 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.244 4.945 8.810 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.254 4.255 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.614 5.288 6.129 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.513 6.511 6.969 1.00 0.00 H new ATOM 942 N ILE A 59 -4.445 7.401 9.198 1.00 0.00 N ATOM 943 CA ILE A 59 -4.632 8.782 9.626 1.00 0.00 C ATOM 944 C ILE A 59 -3.628 9.709 8.949 1.00 0.00 C ATOM 945 O ILE A 59 -3.865 10.908 8.818 1.00 0.00 O ATOM 946 CB ILE A 59 -4.495 8.922 11.153 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.390 8.000 11.674 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.818 8.610 11.835 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.715 8.513 12.926 1.00 0.00 C ATOM 0 H ILE A 59 -3.519 7.021 9.392 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.642 9.069 9.333 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.223 9.952 11.386 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.814 7.017 11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.640 7.869 10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.704 8.713 12.914 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.582 9.303 11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.118 7.589 11.598 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.943 7.809 13.238 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.261 9.483 12.723 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.454 8.617 13.721 1.00 0.00 H new ATOM 961 N ASN A 60 -2.505 9.142 8.519 1.00 0.00 N ATOM 962 CA ASN A 60 -1.464 9.917 7.854 1.00 0.00 C ATOM 963 C ASN A 60 -0.819 9.111 6.731 1.00 0.00 C ATOM 964 O ASN A 60 -0.878 7.881 6.723 1.00 0.00 O ATOM 965 CB ASN A 60 -0.397 10.349 8.863 1.00 0.00 C ATOM 966 CG ASN A 60 0.507 11.437 8.318 1.00 0.00 C ATOM 967 OD1 ASN A 60 0.115 12.602 8.235 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.724 11.062 7.943 1.00 0.00 N ATOM 0 H ASN A 60 -2.293 8.149 8.619 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.927 10.804 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.883 10.705 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.206 9.485 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.377 11.750 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.006 10.086 8.030 1.00 0.00 H new ATOM 975 N ILE A 61 -0.205 9.812 5.784 1.00 0.00 N ATOM 976 CA ILE A 61 0.452 9.162 4.657 1.00 0.00 C ATOM 977 C ILE A 61 1.829 9.764 4.401 1.00 0.00 C ATOM 978 O ILE A 61 1.946 10.897 3.935 1.00 0.00 O ATOM 979 CB ILE A 61 -0.391 9.275 3.373 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.744 8.586 3.563 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.356 8.670 2.194 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.745 8.909 2.475 1.00 0.00 C ATOM 0 H ILE A 61 -0.149 10.830 5.775 1.00 0.00 H new ATOM 0 HA ILE A 61 0.561 8.110 4.920 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.568 10.330 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.592 7.507 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.160 8.879 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.253 8.757 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.297 9.200 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.560 7.618 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.681 8.386 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.927 9.984 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.350 8.590 1.511 1.00 0.00 H new ATOM 994 N ARG A 62 2.870 8.996 4.708 1.00 0.00 N ATOM 995 CA ARG A 62 4.241 9.453 4.511 1.00 0.00 C ATOM 996 C ARG A 62 4.807 8.924 3.197 1.00 0.00 C ATOM 997 O ARG A 62 4.483 7.815 2.770 1.00 0.00 O ATOM 998 CB ARG A 62 5.123 9.003 5.677 1.00 0.00 C ATOM 999 CG ARG A 62 4.375 8.876 6.994 1.00 0.00 C ATOM 1000 CD ARG A 62 5.332 8.791 8.172 1.00 0.00 C ATOM 1001 NE ARG A 62 5.840 10.104 8.560 1.00 0.00 N ATOM 1002 CZ ARG A 62 6.652 10.303 9.592 1.00 0.00 C ATOM 1003 NH1 ARG A 62 7.046 9.279 10.337 1.00 0.00 N ATOM 1004 NH2 ARG A 62 7.072 11.528 9.882 1.00 0.00 N ATOM 0 H ARG A 62 2.790 8.055 5.094 1.00 0.00 H new ATOM 0 HA ARG A 62 4.232 10.542 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.573 8.041 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.939 9.715 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.714 9.733 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.744 7.987 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.823 8.334 9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.168 8.141 7.914 1.00 0.00 H new ATOM 0 HE ARG A 62 5.555 10.913 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.725 8.336 10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.670 9.435 11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.771 12.319 9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.696 11.679 10.675 1.00 0.00 H new ATOM 1018 N THR A 63 5.654 9.724 2.558 1.00 0.00 N ATOM 1019 CA THR A 63 6.264 9.338 1.292 1.00 0.00 C ATOM 1020 C THR A 63 7.679 9.892 1.172 1.00 0.00 C ATOM 1021 O THR A 63 7.936 11.045 1.515 1.00 0.00 O ATOM 1022 CB THR A 63 5.429 9.828 0.094 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.016 11.182 0.306 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.207 8.946 -0.111 1.00 0.00 C ATOM 0 H THR A 63 5.934 10.645 2.897 1.00 0.00 H new ATOM 0 HA THR A 63 6.301 8.249 1.278 1.00 0.00 H new ATOM 0 HB THR A 63 6.050 9.774 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.487 11.487 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.633 9.312 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.526 7.921 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.585 8.972 0.784 1.00 0.00 H new ATOM 1032 N GLY A 64 8.595 9.062 0.681 1.00 0.00 N ATOM 1033 CA GLY A 64 9.973 9.488 0.523 1.00 0.00 C ATOM 1034 C GLY A 64 10.744 9.453 1.828 1.00 0.00 C ATOM 1035 O GLY A 64 10.927 8.390 2.421 1.00 0.00 O ATOM 0 H GLY A 64 8.407 8.103 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.468 8.845 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.993 10.500 0.120 1.00 0.00 H new ATOM 1039 N HIS A 65 11.197 10.619 2.277 1.00 0.00 N ATOM 1040 CA HIS A 65 11.953 10.718 3.521 1.00 0.00 C ATOM 1041 C HIS A 65 11.017 10.891 4.713 1.00 0.00 C ATOM 1042 O HIS A 65 11.411 10.673 5.859 1.00 0.00 O ATOM 1043 CB HIS A 65 12.935 11.889 3.454 1.00 0.00 C ATOM 1044 CG HIS A 65 13.887 11.807 2.301 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.486 11.904 0.985 1.00 0.00 N ATOM 1046 CD2 HIS A 65 15.229 11.638 2.272 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.540 11.797 0.196 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.611 11.634 0.952 1.00 0.00 N ATOM 0 H HIS A 65 11.054 11.508 1.798 1.00 0.00 H new ATOM 0 HA HIS A 65 12.512 9.792 3.652 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.373 12.820 3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.504 11.929 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.879 11.527 3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.528 11.836 -0.883 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.566 11.523 0.611 1.00 0.00 H new ATOM 1057 N GLU A 66 9.778 11.284 4.435 1.00 0.00 N ATOM 1058 CA GLU A 66 8.788 11.487 5.486 1.00 0.00 C ATOM 1059 C GLU A 66 8.551 10.197 6.267 1.00 0.00 C ATOM 1060 O GLU A 66 8.078 10.225 7.404 1.00 0.00 O ATOM 1061 CB GLU A 66 7.471 11.984 4.887 1.00 0.00 C ATOM 1062 CG GLU A 66 7.438 13.484 4.647 1.00 0.00 C ATOM 1063 CD GLU A 66 6.987 14.260 5.869 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.785 14.193 6.203 1.00 0.00 O ATOM 1065 OE2 GLU A 66 7.834 14.935 6.490 1.00 0.00 O ATOM 0 H GLU A 66 9.436 11.468 3.492 1.00 0.00 H new ATOM 0 HA GLU A 66 9.173 12.241 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.295 11.470 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.653 11.714 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.431 13.823 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.767 13.701 3.816 1.00 0.00 H new ATOM 1138 N GLN A 71 14.113 2.348 5.135 1.00 0.00 N ATOM 1139 CA GLN A 71 14.971 2.234 3.961 1.00 0.00 C ATOM 1140 C GLN A 71 14.302 1.396 2.877 1.00 0.00 C ATOM 1141 O GLN A 71 13.758 0.322 3.136 1.00 0.00 O ATOM 1142 CB GLN A 71 16.316 1.615 4.344 1.00 0.00 C ATOM 1143 CG GLN A 71 16.189 0.287 5.072 1.00 0.00 C ATOM 1144 CD GLN A 71 17.531 -0.375 5.318 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.499 -0.129 4.598 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.596 -1.220 6.340 1.00 0.00 N ATOM 0 HA GLN A 71 15.140 3.236 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.910 1.470 3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.862 2.315 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.687 0.447 6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.559 -0.384 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.769 -1.394 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.473 -1.695 6.554 1.00 0.00 H new ATOM 1155 N PRO A 72 14.342 1.895 1.633 1.00 0.00 N ATOM 1156 CA PRO A 72 13.744 1.207 0.484 1.00 0.00 C ATOM 1157 C PRO A 72 14.506 -0.058 0.106 1.00 0.00 C ATOM 1158 O PRO A 72 15.669 -0.242 0.465 1.00 0.00 O ATOM 1159 CB PRO A 72 13.838 2.244 -0.638 1.00 0.00 C ATOM 1160 CG PRO A 72 14.981 3.118 -0.252 1.00 0.00 C ATOM 1161 CD PRO A 72 14.974 3.169 1.251 1.00 0.00 C ATOM 0 HA PRO A 72 12.727 0.875 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.012 1.768 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.914 2.816 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.923 2.716 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.870 4.116 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.983 3.254 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.409 4.025 1.621 1.00 0.00 H new ATOM 1169 N PRO A 73 13.838 -0.952 -0.638 1.00 0.00 N ATOM 1170 CA PRO A 73 14.434 -2.216 -1.082 1.00 0.00 C ATOM 1171 C PRO A 73 15.519 -2.007 -2.132 1.00 0.00 C ATOM 1172 O PRO A 73 15.319 -1.285 -3.110 1.00 0.00 O ATOM 1173 CB PRO A 73 13.248 -2.976 -1.681 1.00 0.00 C ATOM 1174 CG PRO A 73 12.289 -1.914 -2.097 1.00 0.00 C ATOM 1175 CD PRO A 73 12.449 -0.798 -1.102 1.00 0.00 C ATOM 0 HA PRO A 73 14.927 -2.744 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.557 -3.586 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.800 -3.650 -0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.504 -1.569 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.266 -2.291 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.284 0.177 -1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.738 -0.887 -0.280 1.00 0.00 H new ATOM 1183 N ASP A 74 16.666 -2.644 -1.925 1.00 0.00 N ATOM 1184 CA ASP A 74 17.783 -2.529 -2.856 1.00 0.00 C ATOM 1185 C ASP A 74 17.290 -2.536 -4.300 1.00 0.00 C ATOM 1186 O ASP A 74 16.716 -3.519 -4.766 1.00 0.00 O ATOM 1187 CB ASP A 74 18.776 -3.671 -2.638 1.00 0.00 C ATOM 1188 CG ASP A 74 18.208 -5.018 -3.041 1.00 0.00 C ATOM 1189 OD1 ASP A 74 18.230 -5.334 -4.249 1.00 0.00 O ATOM 1190 OD2 ASP A 74 17.740 -5.755 -2.149 1.00 0.00 O ATOM 0 H ASP A 74 16.847 -3.245 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 74 18.285 -1.580 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.682 -3.476 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.065 -3.702 -1.587 1.00 0.00 H new ATOM 1195 N GLY A 75 17.518 -1.430 -5.003 1.00 0.00 N ATOM 1196 CA GLY A 75 17.089 -1.329 -6.386 1.00 0.00 C ATOM 1197 C GLY A 75 16.042 -0.254 -6.591 1.00 0.00 C ATOM 1198 O GLY A 75 15.956 0.344 -7.664 1.00 0.00 O ATOM 0 H GLY A 75 17.992 -0.603 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.952 -1.116 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.687 -2.289 -6.710 1.00 0.00 H new ATOM 1202 N LYS A 76 15.240 -0.006 -5.560 1.00 0.00 N ATOM 1203 CA LYS A 76 14.192 1.005 -5.631 1.00 0.00 C ATOM 1204 C LYS A 76 14.610 2.275 -4.898 1.00 0.00 C ATOM 1205 O LYS A 76 15.276 2.232 -3.863 1.00 0.00 O ATOM 1206 CB LYS A 76 12.891 0.463 -5.034 1.00 0.00 C ATOM 1207 CG LYS A 76 12.349 -0.755 -5.761 1.00 0.00 C ATOM 1208 CD LYS A 76 11.658 -0.369 -7.058 1.00 0.00 C ATOM 1209 CE LYS A 76 11.270 -1.595 -7.870 1.00 0.00 C ATOM 1210 NZ LYS A 76 12.408 -2.104 -8.684 1.00 0.00 N ATOM 0 H LYS A 76 15.296 -0.492 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 76 14.029 1.250 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.060 0.206 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.138 1.251 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.165 -1.446 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.646 -1.282 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.767 0.218 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.319 0.265 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.924 -2.381 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.436 -1.347 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.103 -2.940 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.722 -1.363 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.195 -2.365 -8.056 1.00 0.00 H new ATOM 1224 N PRO A 77 14.210 3.433 -5.443 1.00 0.00 N ATOM 1225 CA PRO A 77 14.531 4.738 -4.856 1.00 0.00 C ATOM 1226 C PRO A 77 13.785 4.983 -3.548 1.00 0.00 C ATOM 1227 O PRO A 77 13.214 4.061 -2.966 1.00 0.00 O ATOM 1228 CB PRO A 77 14.073 5.731 -5.926 1.00 0.00 C ATOM 1229 CG PRO A 77 13.015 5.009 -6.686 1.00 0.00 C ATOM 1230 CD PRO A 77 13.414 3.559 -6.676 1.00 0.00 C ATOM 0 HA PRO A 77 15.588 4.822 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.684 6.645 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.899 6.021 -6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.038 5.148 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.941 5.386 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.544 2.903 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 77 13.997 3.296 -7.559 1.00 0.00 H new ATOM 1238 N ARG A 78 13.796 6.231 -3.092 1.00 0.00 N ATOM 1239 CA ARG A 78 13.121 6.597 -1.852 1.00 0.00 C ATOM 1240 C ARG A 78 11.755 7.214 -2.138 1.00 0.00 C ATOM 1241 O ARG A 78 10.789 6.972 -1.414 1.00 0.00 O ATOM 1242 CB ARG A 78 13.978 7.579 -1.051 1.00 0.00 C ATOM 1243 CG ARG A 78 13.679 7.572 0.439 1.00 0.00 C ATOM 1244 CD ARG A 78 14.333 8.751 1.144 1.00 0.00 C ATOM 1245 NE ARG A 78 14.648 8.449 2.537 1.00 0.00 N ATOM 1246 CZ ARG A 78 15.525 7.522 2.908 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.169 6.811 1.993 1.00 0.00 N ATOM 1248 NH2 ARG A 78 15.758 7.305 4.196 1.00 0.00 N ATOM 0 H ARG A 78 14.264 7.006 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 78 12.975 5.690 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.030 7.338 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.822 8.585 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.601 7.606 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.036 6.640 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.247 9.027 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.668 9.613 1.101 1.00 0.00 H new ATOM 0 HE ARG A 78 14.169 8.978 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.992 6.975 1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.842 6.100 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.264 7.850 4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.431 6.593 4.480 1.00 0.00 H new ATOM 1262 N ASP A 79 11.682 8.011 -3.198 1.00 0.00 N ATOM 1263 CA ASP A 79 10.434 8.662 -3.581 1.00 0.00 C ATOM 1264 C ASP A 79 9.355 7.630 -3.889 1.00 0.00 C ATOM 1265 O ASP A 79 8.167 7.953 -3.929 1.00 0.00 O ATOM 1266 CB ASP A 79 10.657 9.564 -4.796 1.00 0.00 C ATOM 1267 CG ASP A 79 11.667 10.662 -4.526 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.606 11.269 -3.436 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.518 10.913 -5.404 1.00 0.00 O ATOM 0 H ASP A 79 12.472 8.222 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 79 10.098 9.272 -2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.999 8.959 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.708 10.012 -5.091 1.00 0.00 H new ATOM 1274 N CYS A 80 9.775 6.389 -4.106 1.00 0.00 N ATOM 1275 CA CYS A 80 8.844 5.309 -4.412 1.00 0.00 C ATOM 1276 C CYS A 80 8.350 4.638 -3.134 1.00 0.00 C ATOM 1277 O CYS A 80 7.610 3.654 -3.183 1.00 0.00 O ATOM 1278 CB CYS A 80 9.510 4.275 -5.320 1.00 0.00 C ATOM 1279 SG CYS A 80 9.561 4.748 -7.065 1.00 0.00 S ATOM 0 H CYS A 80 10.754 6.106 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 80 7.987 5.738 -4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.528 4.103 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.977 3.329 -5.227 1.00 0.00 H new ATOM 0 HG CYS A 80 10.145 3.811 -7.752 1.00 0.00 H new ATOM 1285 N LEU A 81 8.765 5.174 -1.992 1.00 0.00 N ATOM 1286 CA LEU A 81 8.367 4.627 -0.700 1.00 0.00 C ATOM 1287 C LEU A 81 7.020 5.192 -0.261 1.00 0.00 C ATOM 1288 O LEU A 81 6.793 6.402 -0.320 1.00 0.00 O ATOM 1289 CB LEU A 81 9.430 4.934 0.356 1.00 0.00 C ATOM 1290 CG LEU A 81 10.725 4.126 0.260 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.802 4.737 1.142 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.477 2.674 0.645 1.00 0.00 C ATOM 0 H LEU A 81 9.378 5.988 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 81 8.270 3.546 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.681 5.993 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.994 4.768 1.341 1.00 0.00 H new ATOM 0 HG LEU A 81 11.072 4.153 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.716 4.149 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.999 5.760 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.464 4.741 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.409 2.114 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.106 2.627 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.738 2.240 -0.029 1.00 0.00 H new ATOM 1304 N LEU A 82 6.130 4.310 0.180 1.00 0.00 N ATOM 1305 CA LEU A 82 4.805 4.721 0.632 1.00 0.00 C ATOM 1306 C LEU A 82 4.466 4.085 1.976 1.00 0.00 C ATOM 1307 O LEU A 82 4.384 2.863 2.091 1.00 0.00 O ATOM 1308 CB LEU A 82 3.749 4.339 -0.407 1.00 0.00 C ATOM 1309 CG LEU A 82 2.350 4.916 -0.186 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.210 6.258 -0.888 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.288 3.943 -0.676 1.00 0.00 C ATOM 0 H LEU A 82 6.301 3.306 0.234 1.00 0.00 H new ATOM 0 HA LEU A 82 4.810 5.804 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.101 4.658 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.672 3.252 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 82 2.206 5.071 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.208 6.654 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.947 6.955 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.374 6.128 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.299 4.370 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.429 3.756 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.374 3.005 -0.128 1.00 0.00 H new ATOM 1323 N GLN A 83 4.269 4.923 2.988 1.00 0.00 N ATOM 1324 CA GLN A 83 3.937 4.442 4.324 1.00 0.00 C ATOM 1325 C GLN A 83 2.525 4.862 4.719 1.00 0.00 C ATOM 1326 O GLN A 83 2.057 5.935 4.337 1.00 0.00 O ATOM 1327 CB GLN A 83 4.945 4.973 5.345 1.00 0.00 C ATOM 1328 CG GLN A 83 5.160 4.043 6.529 1.00 0.00 C ATOM 1329 CD GLN A 83 6.286 4.501 7.434 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.179 5.525 8.108 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.376 3.741 7.453 1.00 0.00 N ATOM 0 H GLN A 83 4.333 5.938 2.909 1.00 0.00 H new ATOM 0 HA GLN A 83 3.982 3.353 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.900 5.140 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.603 5.941 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.238 3.978 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.378 3.040 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.421 2.900 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.167 3.999 8.043 1.00 0.00 H new ATOM 1340 N ILE A 84 1.853 4.010 5.486 1.00 0.00 N ATOM 1341 CA ILE A 84 0.495 4.294 5.932 1.00 0.00 C ATOM 1342 C ILE A 84 0.387 4.211 7.451 1.00 0.00 C ATOM 1343 O ILE A 84 0.439 3.126 8.031 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.520 3.320 5.304 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.240 3.152 3.809 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.940 3.816 5.530 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.853 4.238 2.954 1.00 0.00 C ATOM 0 H ILE A 84 2.227 3.118 5.811 1.00 0.00 H new ATOM 0 HA ILE A 84 0.262 5.308 5.607 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.415 2.348 5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.838 3.140 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.622 2.185 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.645 3.117 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.134 3.889 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.060 4.798 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.614 4.055 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.935 4.237 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.452 5.206 3.254 1.00 0.00 H new ATOM 1359 N VAL A 85 0.236 5.366 8.092 1.00 0.00 N ATOM 1360 CA VAL A 85 0.118 5.426 9.544 1.00 0.00 C ATOM 1361 C VAL A 85 -1.299 5.087 9.994 1.00 0.00 C ATOM 1362 O VAL A 85 -2.251 5.797 9.669 1.00 0.00 O ATOM 1363 CB VAL A 85 0.497 6.819 10.081 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.497 6.822 11.602 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.851 7.248 9.538 1.00 0.00 C ATOM 0 H VAL A 85 0.193 6.273 7.628 1.00 0.00 H new ATOM 0 HA VAL A 85 0.811 4.689 9.949 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.249 7.537 9.740 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.767 7.814 11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.497 6.561 11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.221 6.093 11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.103 8.234 9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.611 6.530 9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.811 7.287 8.449 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.430 3.999 10.745 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.732 3.566 11.241 1.00 0.00 C ATOM 1377 C CYS A 86 -3.031 4.189 12.600 1.00 0.00 C ATOM 1378 O CYS A 86 -2.257 5.002 13.105 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.779 2.040 11.344 1.00 0.00 C ATOM 1380 SG CYS A 86 -3.190 1.208 9.793 1.00 0.00 S ATOM 0 H CYS A 86 -0.652 3.401 11.024 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.492 3.899 10.534 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.811 1.680 11.691 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.513 1.760 12.100 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.203 -0.078 9.981 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.159 3.804 13.187 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.563 4.327 14.487 1.00 0.00 C ATOM 1388 C ARG A 87 -3.906 3.540 15.617 1.00 0.00 C ATOM 1389 O ARG A 87 -3.396 4.120 16.576 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.085 4.275 14.631 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.819 5.215 13.689 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.309 4.914 13.652 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.581 3.550 13.207 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.744 2.935 13.394 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.736 3.559 14.013 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.915 1.693 12.960 1.00 0.00 N ATOM 0 H ARG A 87 -4.810 3.131 12.783 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.235 5.364 14.552 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.424 3.255 14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.353 4.522 15.658 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.663 6.246 14.007 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.403 5.124 12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.734 5.063 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.805 5.619 12.984 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.838 3.042 12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.608 4.514 14.347 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.627 3.084 14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.154 1.210 12.483 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.808 1.221 13.104 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.923 2.217 15.497 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.329 1.350 16.508 1.00 0.00 C ATOM 1412 C ASP A 88 -1.809 1.328 16.380 1.00 0.00 C ATOM 1413 O ASP A 88 -1.207 0.269 16.204 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.885 -0.069 16.384 1.00 0.00 C ATOM 1415 CG ASP A 88 -5.302 -0.184 16.911 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.471 -0.285 18.145 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -6.243 -0.172 16.090 1.00 0.00 O ATOM 0 H ASP A 88 -4.342 1.722 14.710 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.587 1.748 17.490 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.864 -0.374 15.338 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.240 -0.758 16.930 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.195 2.504 16.468 1.00 0.00 N ATOM 1423 CA GLY A 89 0.249 2.596 16.358 1.00 0.00 C ATOM 1424 C GLY A 89 0.818 1.615 15.352 1.00 0.00 C ATOM 1425 O GLY A 89 1.948 1.148 15.499 1.00 0.00 O ATOM 0 H GLY A 89 -1.672 3.394 16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.524 3.610 16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.697 2.411 17.334 1.00 0.00 H new ATOM 1429 N LYS A 90 0.034 1.301 14.326 1.00 0.00 N ATOM 1430 CA LYS A 90 0.465 0.368 13.291 1.00 0.00 C ATOM 1431 C LYS A 90 0.946 1.116 12.052 1.00 0.00 C ATOM 1432 O LYS A 90 0.347 2.110 11.642 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.680 -0.576 12.918 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.401 -1.409 11.679 1.00 0.00 C ATOM 1435 CD LYS A 90 0.404 -2.653 12.013 1.00 0.00 C ATOM 1436 CE LYS A 90 0.107 -3.787 11.043 1.00 0.00 C ATOM 1437 NZ LYS A 90 1.215 -4.780 10.995 1.00 0.00 N ATOM 0 H LYS A 90 -0.903 1.679 14.189 1.00 0.00 H new ATOM 0 HA LYS A 90 1.295 -0.217 13.686 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.878 -1.243 13.757 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.585 0.010 12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.344 -1.698 11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.142 -0.808 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.468 -2.418 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.176 -2.973 13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.815 -4.286 11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.058 -3.378 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.974 -5.536 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.090 -4.309 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.356 -5.189 11.941 1.00 0.00 H new ATOM 1451 N THR A 91 2.032 0.630 11.458 1.00 0.00 N ATOM 1452 CA THR A 91 2.593 1.252 10.265 1.00 0.00 C ATOM 1453 C THR A 91 2.928 0.208 9.206 1.00 0.00 C ATOM 1454 O THR A 91 3.468 -0.854 9.517 1.00 0.00 O ATOM 1455 CB THR A 91 3.865 2.057 10.596 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.630 2.900 11.730 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.294 2.904 9.408 1.00 0.00 C ATOM 0 H THR A 91 2.540 -0.192 11.784 1.00 0.00 H new ATOM 0 HA THR A 91 1.833 1.930 9.876 1.00 0.00 H new ATOM 0 HB THR A 91 4.664 1.353 10.827 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.443 3.407 11.935 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.194 3.463 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.500 2.257 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.496 3.600 9.150 1.00 0.00 H new ATOM 1465 N ILE A 92 2.604 0.516 7.955 1.00 0.00 N ATOM 1466 CA ILE A 92 2.872 -0.396 6.850 1.00 0.00 C ATOM 1467 C ILE A 92 3.806 0.241 5.826 1.00 0.00 C ATOM 1468 O ILE A 92 3.470 1.251 5.208 1.00 0.00 O ATOM 1469 CB ILE A 92 1.572 -0.824 6.145 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.668 -1.589 7.115 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.887 -1.675 4.924 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.803 -1.487 6.778 1.00 0.00 C ATOM 0 H ILE A 92 2.155 1.390 7.681 1.00 0.00 H new ATOM 0 HA ILE A 92 3.351 -1.277 7.277 1.00 0.00 H new ATOM 0 HB ILE A 92 1.044 0.070 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.960 -2.639 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.828 -1.210 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.958 -1.970 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.496 -1.100 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.433 -2.566 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.383 -2.053 7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.110 -0.441 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.977 -1.893 5.782 1.00 0.00 H new ATOM 1484 N SER A 93 4.980 -0.359 5.651 1.00 0.00 N ATOM 1485 CA SER A 93 5.964 0.151 4.703 1.00 0.00 C ATOM 1486 C SER A 93 5.736 -0.439 3.314 1.00 0.00 C ATOM 1487 O SER A 93 5.876 -1.645 3.108 1.00 0.00 O ATOM 1488 CB SER A 93 7.380 -0.175 5.181 1.00 0.00 C ATOM 1489 OG SER A 93 7.521 0.082 6.568 1.00 0.00 O ATOM 0 H SER A 93 5.272 -1.198 6.153 1.00 0.00 H new ATOM 0 HA SER A 93 5.848 1.233 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.604 -1.222 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.102 0.420 4.622 1.00 0.00 H new ATOM 0 HG SER A 93 8.434 -0.136 6.850 1.00 0.00 H new ATOM 1495 N LEU A 94 5.384 0.420 2.364 1.00 0.00 N ATOM 1496 CA LEU A 94 5.136 -0.013 0.994 1.00 0.00 C ATOM 1497 C LEU A 94 6.133 0.625 0.032 1.00 0.00 C ATOM 1498 O LEU A 94 6.783 1.617 0.364 1.00 0.00 O ATOM 1499 CB LEU A 94 3.708 0.341 0.576 1.00 0.00 C ATOM 1500 CG LEU A 94 2.592 -0.218 1.458 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.244 0.347 1.037 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.577 -1.739 1.399 1.00 0.00 C ATOM 0 H LEU A 94 5.264 1.421 2.518 1.00 0.00 H new ATOM 0 HA LEU A 94 5.262 -1.095 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.616 1.427 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.551 -0.014 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 94 2.783 0.084 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.462 -0.063 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.259 1.433 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.044 0.076 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.776 -2.120 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.411 -2.062 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.533 -2.126 1.751 1.00 0.00 H new ATOM 1514 N CYS A 95 6.247 0.051 -1.161 1.00 0.00 N ATOM 1515 CA CYS A 95 7.164 0.565 -2.172 1.00 0.00 C ATOM 1516 C CYS A 95 6.620 0.318 -3.575 1.00 0.00 C ATOM 1517 O CYS A 95 6.164 -0.781 -3.890 1.00 0.00 O ATOM 1518 CB CYS A 95 8.539 -0.087 -2.023 1.00 0.00 C ATOM 1519 SG CYS A 95 9.812 0.619 -3.095 1.00 0.00 S ATOM 0 H CYS A 95 5.716 -0.770 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 95 7.263 1.640 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.862 0.004 -0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.449 -1.152 -2.237 1.00 0.00 H new ATOM 0 HG CYS A 95 9.377 0.656 -4.319 1.00 0.00 H new ATOM 1525 N ALA A 96 6.670 1.347 -4.414 1.00 0.00 N ATOM 1526 CA ALA A 96 6.182 1.242 -5.783 1.00 0.00 C ATOM 1527 C ALA A 96 7.291 0.787 -6.727 1.00 0.00 C ATOM 1528 O ALA A 96 8.422 0.556 -6.303 1.00 0.00 O ATOM 1529 CB ALA A 96 5.608 2.573 -6.244 1.00 0.00 C ATOM 0 H ALA A 96 7.044 2.264 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 96 5.391 0.492 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.248 2.479 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.781 2.858 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.383 3.338 -6.201 1.00 0.00 H new ATOM 1535 N GLU A 97 6.957 0.660 -8.007 1.00 0.00 N ATOM 1536 CA GLU A 97 7.925 0.231 -9.010 1.00 0.00 C ATOM 1537 C GLU A 97 8.525 1.432 -9.735 1.00 0.00 C ATOM 1538 O GLU A 97 9.666 1.386 -10.197 1.00 0.00 O ATOM 1539 CB GLU A 97 7.264 -0.710 -10.019 1.00 0.00 C ATOM 1540 CG GLU A 97 8.237 -1.309 -11.021 1.00 0.00 C ATOM 1541 CD GLU A 97 7.537 -1.950 -12.203 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.741 -1.257 -12.869 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.786 -3.147 -12.461 1.00 0.00 O ATOM 0 H GLU A 97 6.024 0.848 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 97 8.727 -0.301 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.768 -1.517 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.490 -0.165 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.908 -0.529 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.854 -2.055 -10.521 1.00 0.00 H new ATOM 1550 N SER A 98 7.749 2.507 -9.832 1.00 0.00 N ATOM 1551 CA SER A 98 8.201 3.719 -10.505 1.00 0.00 C ATOM 1552 C SER A 98 7.630 4.961 -9.828 1.00 0.00 C ATOM 1553 O SER A 98 6.511 4.945 -9.315 1.00 0.00 O ATOM 1554 CB SER A 98 7.791 3.693 -11.978 1.00 0.00 C ATOM 1555 OG SER A 98 7.818 4.995 -12.538 1.00 0.00 O ATOM 0 H SER A 98 6.804 2.563 -9.453 1.00 0.00 H new ATOM 0 HA SER A 98 9.288 3.758 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.464 3.040 -12.534 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.789 3.274 -12.073 1.00 0.00 H new ATOM 0 HG SER A 98 7.554 4.951 -13.481 1.00 0.00 H new ATOM 1561 N THR A 99 8.409 6.039 -9.829 1.00 0.00 N ATOM 1562 CA THR A 99 7.983 7.290 -9.215 1.00 0.00 C ATOM 1563 C THR A 99 6.520 7.584 -9.523 1.00 0.00 C ATOM 1564 O THR A 99 5.752 7.961 -8.637 1.00 0.00 O ATOM 1565 CB THR A 99 8.845 8.473 -9.694 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.225 8.091 -9.730 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.670 9.676 -8.780 1.00 0.00 C ATOM 0 H THR A 99 9.338 6.070 -10.248 1.00 0.00 H new ATOM 0 HA THR A 99 8.108 7.172 -8.139 1.00 0.00 H new ATOM 0 HB THR A 99 8.519 8.749 -10.697 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.766 8.848 -10.037 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.289 10.499 -9.139 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.624 9.983 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.972 9.410 -7.767 1.00 0.00 H new ATOM 1575 N ASP A 100 6.140 7.410 -10.784 1.00 0.00 N ATOM 1576 CA ASP A 100 4.766 7.656 -11.210 1.00 0.00 C ATOM 1577 C ASP A 100 3.792 6.777 -10.432 1.00 0.00 C ATOM 1578 O ASP A 100 2.759 7.248 -9.957 1.00 0.00 O ATOM 1579 CB ASP A 100 4.621 7.397 -12.710 1.00 0.00 C ATOM 1580 CG ASP A 100 5.353 8.426 -13.549 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.602 8.444 -13.510 1.00 0.00 O ATOM 1582 OD2 ASP A 100 4.678 9.213 -14.245 1.00 0.00 O ATOM 0 H ASP A 100 6.763 7.100 -11.529 1.00 0.00 H new ATOM 0 HA ASP A 100 4.528 8.700 -11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.004 6.404 -12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.564 7.401 -12.976 1.00 0.00 H new ATOM 1587 N ASP A 101 4.126 5.497 -10.309 1.00 0.00 N ATOM 1588 CA ASP A 101 3.281 4.552 -9.589 1.00 0.00 C ATOM 1589 C ASP A 101 3.054 5.010 -8.152 1.00 0.00 C ATOM 1590 O ASP A 101 1.921 5.038 -7.670 1.00 0.00 O ATOM 1591 CB ASP A 101 3.912 3.159 -9.600 1.00 0.00 C ATOM 1592 CG ASP A 101 3.506 2.348 -10.815 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.701 2.838 -11.947 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.994 1.224 -10.633 1.00 0.00 O ATOM 0 H ASP A 101 4.976 5.090 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 101 2.316 4.509 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.998 3.255 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.620 2.624 -8.696 1.00 0.00 H new ATOM 1599 N CYS A 102 4.138 5.367 -7.472 1.00 0.00 N ATOM 1600 CA CYS A 102 4.058 5.822 -6.089 1.00 0.00 C ATOM 1601 C CYS A 102 3.120 7.018 -5.964 1.00 0.00 C ATOM 1602 O CYS A 102 2.188 7.008 -5.158 1.00 0.00 O ATOM 1603 CB CYS A 102 5.448 6.193 -5.571 1.00 0.00 C ATOM 1604 SG CYS A 102 5.536 6.402 -3.777 1.00 0.00 S ATOM 0 H CYS A 102 5.083 5.350 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 102 3.660 5.006 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.154 5.419 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.767 7.119 -6.050 1.00 0.00 H new ATOM 0 HG CYS A 102 6.611 7.066 -3.470 1.00 0.00 H new ATOM 1610 N LEU A 103 3.373 8.048 -6.764 1.00 0.00 N ATOM 1611 CA LEU A 103 2.552 9.254 -6.742 1.00 0.00 C ATOM 1612 C LEU A 103 1.075 8.910 -6.905 1.00 0.00 C ATOM 1613 O LEU A 103 0.235 9.346 -6.118 1.00 0.00 O ATOM 1614 CB LEU A 103 2.989 10.213 -7.850 1.00 0.00 C ATOM 1615 CG LEU A 103 4.119 11.179 -7.494 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.841 11.642 -8.750 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.577 12.371 -6.720 1.00 0.00 C ATOM 0 H LEU A 103 4.140 8.072 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 103 2.689 9.739 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.300 9.623 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.123 10.797 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 103 4.834 10.654 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.642 12.329 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.263 10.780 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.136 12.150 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.395 13.048 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.841 12.896 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.106 12.024 -5.801 1.00 0.00 H new ATOM 1629 N ALA A 104 0.765 8.123 -7.930 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.609 7.716 -8.194 1.00 0.00 C ATOM 1631 C ALA A 104 -1.280 7.195 -6.927 1.00 0.00 C ATOM 1632 O ALA A 104 -2.333 7.688 -6.523 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.647 6.659 -9.287 1.00 0.00 C ATOM 0 H ALA A 104 1.448 7.754 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.162 8.592 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.680 6.365 -9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.215 7.066 -10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.073 5.788 -8.971 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.664 6.196 -6.306 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.203 5.607 -5.085 1.00 0.00 C ATOM 1641 C TRP A 105 -1.469 6.680 -4.035 1.00 0.00 C ATOM 1642 O TRP A 105 -2.564 6.763 -3.479 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.237 4.560 -4.529 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.478 3.183 -5.070 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.408 2.408 -5.763 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.685 2.420 -4.965 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.176 1.209 -6.094 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.459 1.191 -5.616 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.933 2.655 -4.383 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.436 0.203 -5.700 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.903 1.673 -4.468 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.650 0.460 -5.121 1.00 0.00 C ATOM 0 H TRP A 105 0.209 5.777 -6.627 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.148 5.123 -5.331 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.785 4.860 -4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.324 4.536 -3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.418 2.695 -6.014 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.274 0.454 -6.612 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.137 3.587 -3.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.243 -0.733 -6.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.872 1.844 -4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.428 -0.288 -5.169 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.459 7.501 -3.766 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.583 8.571 -2.783 1.00 0.00 C ATOM 1665 C LYS A 106 -1.780 9.463 -3.097 1.00 0.00 C ATOM 1666 O LYS A 106 -2.621 9.717 -2.235 1.00 0.00 O ATOM 1667 CB LYS A 106 0.696 9.410 -2.747 1.00 0.00 C ATOM 1668 CG LYS A 106 0.555 10.702 -1.962 1.00 0.00 C ATOM 1669 CD LYS A 106 1.899 11.198 -1.457 1.00 0.00 C ATOM 1670 CE LYS A 106 1.763 12.519 -0.715 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.465 12.316 0.729 1.00 0.00 N ATOM 0 H LYS A 106 0.455 7.446 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.739 8.115 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.498 8.815 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.994 9.646 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.099 11.464 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.116 10.544 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.338 10.451 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.582 11.320 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.686 13.090 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.969 13.111 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.380 13.240 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.572 11.793 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.235 11.773 1.169 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.851 9.934 -4.338 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.946 10.797 -4.766 1.00 0.00 C ATOM 1687 C PHE A 107 -4.295 10.123 -4.529 1.00 0.00 C ATOM 1688 O PHE A 107 -5.232 10.744 -4.025 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.794 11.152 -6.246 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.629 12.057 -6.529 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.390 13.169 -5.739 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.772 11.794 -7.586 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.319 14.003 -5.998 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.301 12.624 -7.849 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.529 13.730 -7.053 1.00 0.00 C ATOM 0 H PHE A 107 -1.164 9.733 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.908 11.711 -4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.679 10.234 -6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.709 11.632 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.048 13.387 -4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.945 10.931 -8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.145 14.868 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.961 12.408 -8.676 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.368 14.379 -7.255 1.00 0.00 H new ATOM 1705 N THR A 108 -4.385 8.849 -4.895 1.00 0.00 N ATOM 1706 CA THR A 108 -5.618 8.090 -4.725 1.00 0.00 C ATOM 1707 C THR A 108 -6.035 8.041 -3.259 1.00 0.00 C ATOM 1708 O THR A 108 -7.182 8.337 -2.919 1.00 0.00 O ATOM 1709 CB THR A 108 -5.470 6.651 -5.253 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.061 6.673 -6.625 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.780 5.889 -5.121 1.00 0.00 C ATOM 0 H THR A 108 -3.618 8.320 -5.311 1.00 0.00 H new ATOM 0 HA THR A 108 -6.387 8.603 -5.302 1.00 0.00 H new ATOM 0 HB THR A 108 -4.712 6.144 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.131 6.977 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.651 4.875 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.074 5.849 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.555 6.396 -5.696 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.098 7.667 -2.395 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.369 7.581 -0.964 1.00 0.00 C ATOM 1721 C LEU A 109 -5.768 8.941 -0.401 1.00 0.00 C ATOM 1722 O LEU A 109 -6.853 9.097 0.158 1.00 0.00 O ATOM 1723 CB LEU A 109 -4.139 7.051 -0.224 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.573 5.723 -0.727 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.081 5.638 -0.445 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.306 4.554 -0.087 1.00 0.00 C ATOM 0 H LEU A 109 -4.145 7.419 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.200 6.891 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.353 7.803 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.394 6.938 0.830 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.722 5.672 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.695 4.686 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.568 6.455 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.909 5.712 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.890 3.617 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.190 4.600 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.365 4.606 -0.341 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.885 9.922 -0.556 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.148 11.270 -0.065 1.00 0.00 C ATOM 1740 C GLN A 110 -6.567 11.708 -0.408 1.00 0.00 C ATOM 1741 O GLN A 110 -7.149 12.552 0.273 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.140 12.256 -0.657 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.883 12.420 0.183 1.00 0.00 C ATOM 1744 CD GLN A 110 -3.051 13.440 1.292 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.329 14.612 1.035 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -2.883 12.999 2.533 1.00 0.00 N ATOM 0 H GLN A 110 -3.982 9.809 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.043 11.261 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.859 11.920 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.620 13.228 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.613 11.458 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.057 12.722 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.653 12.019 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.984 13.640 3.320 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.120 11.129 -1.469 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.472 11.459 -1.903 1.00 0.00 C ATOM 1757 C ASP A 111 -9.503 10.621 -1.152 1.00 0.00 C ATOM 1758 O ASP A 111 -10.560 11.120 -0.765 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.616 11.237 -3.409 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.781 12.006 -3.999 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.093 13.100 -3.482 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.381 11.516 -4.978 1.00 0.00 O ATOM 0 H ASP A 111 -6.652 10.429 -2.044 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.652 12.511 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.695 11.540 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.750 10.173 -3.605 1.00 0.00 H new ATOM 1767 N SER A 112 -9.188 9.345 -0.951 1.00 0.00 N ATOM 1768 CA SER A 112 -10.089 8.437 -0.251 1.00 0.00 C ATOM 1769 C SER A 112 -10.377 8.938 1.161 1.00 0.00 C ATOM 1770 O SER A 112 -11.294 8.457 1.827 1.00 0.00 O ATOM 1771 CB SER A 112 -9.487 7.032 -0.194 1.00 0.00 C ATOM 1772 OG SER A 112 -8.670 6.874 0.954 1.00 0.00 O ATOM 0 H SER A 112 -8.316 8.917 -1.263 1.00 0.00 H new ATOM 0 HA SER A 112 -11.029 8.400 -0.802 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.286 6.291 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.897 6.849 -1.092 1.00 0.00 H new ATOM 0 HG SER A 112 -7.944 7.532 0.932 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.586 9.907 1.611 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.754 10.473 2.944 1.00 0.00 C ATOM 1780 C ARG A 113 -11.040 11.290 3.030 1.00 0.00 C ATOM 1781 O ARG A 113 -11.741 11.260 4.042 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.554 11.352 3.302 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.218 10.637 3.181 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.055 11.587 3.420 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.201 12.831 2.669 1.00 0.00 N ATOM 1786 CZ ARG A 113 -6.884 13.881 3.112 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -7.479 13.837 4.296 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -6.971 14.978 2.370 1.00 0.00 N ATOM 0 H ARG A 113 -8.823 10.316 1.072 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.819 9.650 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.548 12.227 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.671 11.714 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.175 9.819 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.130 10.194 2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.984 11.812 4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.123 11.098 3.135 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.754 12.897 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.413 12.996 4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.003 14.644 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.513 15.015 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.495 15.784 2.711 1.00 0.00 H new