USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 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 120 GLN : amide:sc= -0.445 K(o=-0.7,f=-4.6) USER MOD Set 1.2: A 124 HIS :FLIP no HE2:sc= -0.252 F(o=-1.5,f=-0.7) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-6!) USER MOD Set 2.2: A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 29:sc= 0.539 USER MOD Single : A 20 THR OG1 : rot 66:sc= 0.541 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= -0.471 (180deg=-2.39) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 178:sc= 0.181 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.483 K(o=-0.48,f=-4.7!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 46:sc= 0.752 USER MOD Single : A 54 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.37) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-2.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 74:sc= -1.44! USER MOD Single : A 64 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.5!) USER MOD Single : A 69 TYR OH : rot 90:sc= -0.183 USER MOD Single : A 71 CYS SG : rot -160:sc= -2.35 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 80 SER OG : rot 180:sc= -0.191 USER MOD Single : A 84 ASN : amide:sc= -1.13! C(o=-1.1!,f=-3.5!) USER MOD Single : A 87 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.28!) USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= -0.0764 (180deg=-2.19!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.62) USER MOD Single : A 95 THR OG1 : rot 105:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 95:sc= 1.13 USER MOD Single : A 97 TYR OH : rot 165:sc= -0.48 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.6!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 130:sc= -0.463 USER MOD Single : A 109 MET CE :methyl -154:sc= -1.47 (180deg=-2.56!) USER MOD Single : A 110 ASN : amide:sc= 0.0458 K(o=0.046,f=-1.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -36:sc= 1.08 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.363 7.486 6.348 1.00 0.00 N ATOM 94 CA ILE A 10 -2.441 6.669 5.144 1.00 0.00 C ATOM 95 C ILE A 10 -3.591 7.119 4.249 1.00 0.00 C ATOM 96 O ILE A 10 -4.760 7.022 4.625 1.00 0.00 O ATOM 97 CB ILE A 10 -2.624 5.179 5.485 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.513 4.708 6.425 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.640 4.342 4.215 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.906 3.526 7.283 1.00 0.00 C ATOM 0 HA ILE A 10 -1.498 6.798 4.613 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.581 5.053 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.637 4.442 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.221 5.535 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.770 3.291 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.464 4.664 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.698 4.471 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.069 3.247 7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.763 3.794 7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.169 2.684 6.643 1.00 0.00 H new ATOM 112 N LEU A 11 -3.252 7.610 3.062 1.00 0.00 N ATOM 113 CA LEU A 11 -4.256 8.073 2.110 1.00 0.00 C ATOM 114 C LEU A 11 -4.340 7.138 0.908 1.00 0.00 C ATOM 115 O LEU A 11 -5.429 6.828 0.424 1.00 0.00 O ATOM 116 CB LEU A 11 -3.929 9.493 1.644 1.00 0.00 C ATOM 117 CG LEU A 11 -4.209 10.611 2.649 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.566 11.911 2.194 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.708 10.792 2.840 1.00 0.00 C ATOM 0 H LEU A 11 -2.290 7.698 2.736 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.223 8.076 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.874 9.531 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.498 9.696 0.737 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.772 10.331 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.776 12.695 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.488 11.774 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.972 12.198 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.889 11.591 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.168 11.050 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.142 9.864 3.213 1.00 0.00 H new ATOM 131 N PHE A 12 -3.183 6.689 0.432 1.00 0.00 N ATOM 132 CA PHE A 12 -3.126 5.788 -0.712 1.00 0.00 C ATOM 133 C PHE A 12 -2.429 4.481 -0.342 1.00 0.00 C ATOM 134 O PHE A 12 -1.256 4.475 0.031 1.00 0.00 O ATOM 135 CB PHE A 12 -2.394 6.456 -1.878 1.00 0.00 C ATOM 136 CG PHE A 12 -2.557 5.730 -3.183 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.715 4.682 -3.518 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.552 6.096 -4.075 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.862 4.012 -4.718 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.705 5.429 -5.276 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.858 4.386 -5.598 1.00 0.00 C ATOM 0 H PHE A 12 -2.273 6.935 0.821 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.148 5.561 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.761 7.476 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.333 6.524 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.934 4.385 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.216 6.912 -3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.199 3.197 -4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.486 5.723 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.975 3.864 -6.536 1.00 0.00 H new ATOM 151 N ALA A 13 -3.161 3.377 -0.447 1.00 0.00 N ATOM 152 CA ALA A 13 -2.614 2.065 -0.124 1.00 0.00 C ATOM 153 C ALA A 13 -3.051 1.022 -1.147 1.00 0.00 C ATOM 154 O ALA A 13 -4.233 0.690 -1.244 1.00 0.00 O ATOM 155 CB ALA A 13 -3.039 1.646 1.275 1.00 0.00 C ATOM 0 H ALA A 13 -4.134 3.365 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.527 2.134 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.623 0.664 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.672 2.373 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.127 1.600 1.326 1.00 0.00 H new ATOM 161 N VAL A 14 -2.091 0.508 -1.909 1.00 0.00 N ATOM 162 CA VAL A 14 -2.377 -0.498 -2.925 1.00 0.00 C ATOM 163 C VAL A 14 -1.321 -1.598 -2.922 1.00 0.00 C ATOM 164 O VAL A 14 -0.238 -1.431 -2.361 1.00 0.00 O ATOM 165 CB VAL A 14 -2.448 0.127 -4.331 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.293 1.392 -4.310 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.050 0.418 -4.854 1.00 0.00 C ATOM 0 H VAL A 14 -1.108 0.772 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.347 -0.929 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.922 -0.587 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.332 1.820 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.303 1.149 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.850 2.114 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.118 0.859 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.548 1.114 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.481 -0.510 -4.907 1.00 0.00 H new ATOM 177 N VAL A 15 -1.644 -2.722 -3.554 1.00 0.00 N ATOM 178 CA VAL A 15 -0.722 -3.849 -3.626 1.00 0.00 C ATOM 179 C VAL A 15 -0.507 -4.292 -5.069 1.00 0.00 C ATOM 180 O VAL A 15 -1.465 -4.527 -5.806 1.00 0.00 O ATOM 181 CB VAL A 15 -1.234 -5.047 -2.804 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.293 -6.234 -2.945 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.399 -4.658 -1.343 1.00 0.00 C ATOM 0 H VAL A 15 -2.537 -2.876 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 15 0.226 -3.509 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.210 -5.340 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.672 -7.070 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.230 -6.526 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.698 -5.957 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.761 -5.516 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.438 -4.338 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.116 -3.841 -1.263 1.00 0.00 H new ATOM 193 N ALA A 16 0.756 -4.404 -5.466 1.00 0.00 N ATOM 194 CA ALA A 16 1.097 -4.821 -6.821 1.00 0.00 C ATOM 195 C ALA A 16 2.300 -5.759 -6.820 1.00 0.00 C ATOM 196 O ALA A 16 3.217 -5.606 -6.013 1.00 0.00 O ATOM 197 CB ALA A 16 1.373 -3.606 -7.693 1.00 0.00 C ATOM 0 H ALA A 16 1.560 -4.212 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 16 0.246 -5.364 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.626 -3.932 -8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.486 -2.974 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.205 -3.040 -7.275 1.00 0.00 H new ATOM 203 N ARG A 17 2.288 -6.729 -7.728 1.00 0.00 N ATOM 204 CA ARG A 17 3.378 -7.692 -7.831 1.00 0.00 C ATOM 205 C ARG A 17 4.027 -7.634 -9.210 1.00 0.00 C ATOM 206 O ARG A 17 3.551 -8.257 -10.159 1.00 0.00 O ATOM 207 CB ARG A 17 2.863 -9.107 -7.557 1.00 0.00 C ATOM 208 CG ARG A 17 1.567 -9.434 -8.279 1.00 0.00 C ATOM 209 CD ARG A 17 1.466 -10.918 -8.598 1.00 0.00 C ATOM 210 NE ARG A 17 2.056 -11.241 -9.894 1.00 0.00 N ATOM 211 CZ ARG A 17 2.232 -12.482 -10.333 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.864 -13.512 -9.583 1.00 0.00 N ATOM 213 NH2 ARG A 17 2.776 -12.695 -11.524 1.00 0.00 N ATOM 0 H ARG A 17 1.536 -6.869 -8.403 1.00 0.00 H new ATOM 0 HA ARG A 17 4.129 -7.434 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.626 -9.826 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.712 -9.228 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.720 -9.135 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.508 -8.857 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.968 -11.491 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.419 -11.220 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 17 2.349 -10.471 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.445 -13.352 -8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.000 -14.464 -9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.060 -11.905 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.911 -13.649 -11.860 1.00 0.00 H new ATOM 227 N GLY A 18 5.117 -6.880 -9.315 1.00 0.00 N ATOM 228 CA GLY A 18 5.813 -6.754 -10.582 1.00 0.00 C ATOM 229 C GLY A 18 5.026 -5.952 -11.599 1.00 0.00 C ATOM 230 O GLY A 18 4.460 -6.512 -12.539 1.00 0.00 O ATOM 0 H GLY A 18 5.530 -6.354 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.779 -6.277 -10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.013 -7.747 -10.983 1.00 0.00 H new ATOM 234 N THR A 19 4.985 -4.637 -11.411 1.00 0.00 N ATOM 235 CA THR A 19 4.258 -3.757 -12.318 1.00 0.00 C ATOM 236 C THR A 19 2.845 -4.271 -12.567 1.00 0.00 C ATOM 237 O THR A 19 2.262 -4.029 -13.624 1.00 0.00 O ATOM 238 CB THR A 19 4.987 -3.616 -13.667 1.00 0.00 C ATOM 239 OG1 THR A 19 5.269 -4.911 -14.210 1.00 0.00 O ATOM 240 CG2 THR A 19 6.283 -2.836 -13.504 1.00 0.00 C ATOM 0 H THR A 19 5.447 -4.157 -10.638 1.00 0.00 H new ATOM 0 HA THR A 19 4.206 -2.780 -11.838 1.00 0.00 H new ATOM 0 HB THR A 19 4.336 -3.070 -14.350 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.593 -5.550 -13.901 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.780 -2.750 -14.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.062 -1.840 -13.119 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.937 -3.358 -12.805 1.00 0.00 H new ATOM 248 N THR A 20 2.297 -4.982 -11.586 1.00 0.00 N ATOM 249 CA THR A 20 0.952 -5.530 -11.699 1.00 0.00 C ATOM 250 C THR A 20 0.143 -5.270 -10.433 1.00 0.00 C ATOM 251 O THR A 20 0.374 -5.896 -9.399 1.00 0.00 O ATOM 252 CB THR A 20 0.984 -7.046 -11.971 1.00 0.00 C ATOM 253 OG1 THR A 20 1.677 -7.309 -13.196 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.426 -7.612 -12.049 1.00 0.00 C ATOM 0 H THR A 20 2.765 -5.191 -10.704 1.00 0.00 H new ATOM 0 HA THR A 20 0.476 -5.027 -12.541 1.00 0.00 H new ATOM 0 HB THR A 20 1.507 -7.530 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.620 -7.061 -13.098 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.378 -8.684 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.941 -7.436 -11.105 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.970 -7.122 -12.856 1.00 0.00 H new ATOM 262 N ILE A 21 -0.805 -4.343 -10.523 1.00 0.00 N ATOM 263 CA ILE A 21 -1.649 -4.002 -9.384 1.00 0.00 C ATOM 264 C ILE A 21 -2.846 -4.941 -9.287 1.00 0.00 C ATOM 265 O ILE A 21 -3.819 -4.804 -10.030 1.00 0.00 O ATOM 266 CB ILE A 21 -2.155 -2.550 -9.474 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.980 -1.588 -9.659 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.951 -2.190 -8.228 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.385 -0.239 -10.212 1.00 0.00 C ATOM 0 H ILE A 21 -1.008 -3.815 -11.372 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.033 -4.109 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.811 -2.462 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.484 -1.444 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.251 -2.043 -10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.302 -1.161 -8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.806 -2.860 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.315 -2.291 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.502 0.391 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.854 -0.371 -11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.091 0.236 -9.531 1.00 0.00 H new ATOM 281 N LEU A 22 -2.770 -5.894 -8.364 1.00 0.00 N ATOM 282 CA LEU A 22 -3.849 -6.856 -8.167 1.00 0.00 C ATOM 283 C LEU A 22 -5.070 -6.185 -7.546 1.00 0.00 C ATOM 284 O LEU A 22 -6.203 -6.432 -7.958 1.00 0.00 O ATOM 285 CB LEU A 22 -3.377 -8.006 -7.275 1.00 0.00 C ATOM 286 CG LEU A 22 -2.064 -8.675 -7.682 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.494 -9.481 -6.524 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.272 -9.562 -8.900 1.00 0.00 C ATOM 0 H LEU A 22 -1.973 -6.021 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.131 -7.253 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.270 -7.630 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.158 -8.766 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.348 -7.896 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.560 -9.950 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.306 -8.820 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.207 -10.251 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.327 -10.030 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.005 -10.334 -8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.634 -8.958 -9.732 1.00 0.00 H new ATOM 300 N ALA A 23 -4.831 -5.333 -6.555 1.00 0.00 N ATOM 301 CA ALA A 23 -5.911 -4.622 -5.881 1.00 0.00 C ATOM 302 C ALA A 23 -5.450 -3.250 -5.400 1.00 0.00 C ATOM 303 O ALA A 23 -4.422 -3.127 -4.733 1.00 0.00 O ATOM 304 CB ALA A 23 -6.434 -5.444 -4.712 1.00 0.00 C ATOM 0 H ALA A 23 -3.899 -5.118 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.718 -4.474 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.240 -4.902 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.811 -6.399 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.627 -5.621 -4.002 1.00 0.00 H new ATOM 310 N LYS A 24 -6.215 -2.220 -5.744 1.00 0.00 N ATOM 311 CA LYS A 24 -5.886 -0.856 -5.348 1.00 0.00 C ATOM 312 C LYS A 24 -7.103 -0.154 -4.755 1.00 0.00 C ATOM 313 O LYS A 24 -8.213 -0.266 -5.276 1.00 0.00 O ATOM 314 CB LYS A 24 -5.364 -0.066 -6.551 1.00 0.00 C ATOM 315 CG LYS A 24 -6.227 -0.207 -7.793 1.00 0.00 C ATOM 316 CD LYS A 24 -6.011 0.948 -8.756 1.00 0.00 C ATOM 317 CE LYS A 24 -6.930 2.118 -8.438 1.00 0.00 C ATOM 318 NZ LYS A 24 -6.325 3.042 -7.439 1.00 0.00 N ATOM 0 H LYS A 24 -7.068 -2.304 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.108 -0.902 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.299 0.988 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.352 -0.399 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.995 -1.147 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.277 -0.250 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.973 1.276 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.190 0.610 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.150 2.667 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.879 1.741 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.871 3.003 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.343 2.756 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.338 4.013 -7.811 1.00 0.00 H new ATOM 332 N HIS A 25 -6.887 0.573 -3.662 1.00 0.00 N ATOM 333 CA HIS A 25 -7.966 1.296 -2.999 1.00 0.00 C ATOM 334 C HIS A 25 -7.428 2.518 -2.262 1.00 0.00 C ATOM 335 O HIS A 25 -6.762 2.392 -1.235 1.00 0.00 O ATOM 336 CB HIS A 25 -8.698 0.377 -2.021 1.00 0.00 C ATOM 337 CG HIS A 25 -9.617 1.104 -1.089 1.00 0.00 C ATOM 338 ND1 HIS A 25 -9.184 1.724 0.064 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.954 1.311 -1.146 1.00 0.00 C ATOM 340 CE1 HIS A 25 -10.214 2.279 0.677 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.300 2.043 -0.037 1.00 0.00 N ATOM 0 H HIS A 25 -5.975 0.676 -3.218 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.667 1.634 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.273 -0.357 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.963 -0.176 -1.436 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -8.219 1.750 0.392 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.623 0.965 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.175 2.832 1.604 1.00 0.00 H new ATOM 350 N ALA A 26 -7.721 3.700 -2.793 1.00 0.00 N ATOM 351 CA ALA A 26 -7.268 4.945 -2.185 1.00 0.00 C ATOM 352 C ALA A 26 -8.431 5.910 -1.979 1.00 0.00 C ATOM 353 O ALA A 26 -9.514 5.719 -2.532 1.00 0.00 O ATOM 354 CB ALA A 26 -6.190 5.590 -3.043 1.00 0.00 C ATOM 0 H ALA A 26 -8.271 3.822 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.847 4.711 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.861 6.519 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.343 4.910 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.593 5.804 -4.033 1.00 0.00 H new ATOM 360 N TRP A 27 -8.199 6.946 -1.181 1.00 0.00 N ATOM 361 CA TRP A 27 -9.228 7.942 -0.902 1.00 0.00 C ATOM 362 C TRP A 27 -9.473 8.827 -2.119 1.00 0.00 C ATOM 363 O TRP A 27 -8.585 9.011 -2.953 1.00 0.00 O ATOM 364 CB TRP A 27 -8.824 8.801 0.296 1.00 0.00 C ATOM 365 CG TRP A 27 -8.980 8.099 1.611 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.299 6.994 2.036 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.876 8.452 2.670 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.718 6.640 3.296 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.684 7.519 3.707 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.821 9.468 2.844 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.403 7.572 4.899 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.533 9.519 4.027 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.321 8.577 5.042 1.00 0.00 C ATOM 0 H TRP A 27 -7.308 7.119 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.153 7.416 -0.667 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.785 9.110 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.428 9.709 0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.543 6.475 1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.366 5.850 3.837 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.991 10.199 2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.242 6.846 5.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.266 10.299 4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -11.893 8.645 5.955 1.00 0.00 H new ATOM 384 N CYS A 28 -10.681 9.372 -2.215 1.00 0.00 N ATOM 385 CA CYS A 28 -11.042 10.239 -3.332 1.00 0.00 C ATOM 386 C CYS A 28 -10.450 11.632 -3.152 1.00 0.00 C ATOM 387 O CYS A 28 -10.920 12.417 -2.329 1.00 0.00 O ATOM 388 CB CYS A 28 -12.563 10.330 -3.462 1.00 0.00 C ATOM 389 SG CYS A 28 -13.363 8.765 -3.884 1.00 0.00 S ATOM 0 H CYS A 28 -11.427 9.229 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.632 9.806 -4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.976 10.695 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.808 11.068 -4.225 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.648 8.944 -3.969 1.00 0.00 H new ATOM 395 N GLY A 29 -9.412 11.934 -3.927 1.00 0.00 N ATOM 396 CA GLY A 29 -8.771 13.232 -3.837 1.00 0.00 C ATOM 397 C GLY A 29 -7.289 13.171 -4.151 1.00 0.00 C ATOM 398 O GLY A 29 -6.471 12.909 -3.270 1.00 0.00 O ATOM 0 H GLY A 29 -9.004 11.302 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.257 13.922 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.910 13.633 -2.833 1.00 0.00 H new ATOM 402 N GLY A 30 -6.942 13.411 -5.412 1.00 0.00 N ATOM 403 CA GLY A 30 -5.550 13.374 -5.818 1.00 0.00 C ATOM 404 C GLY A 30 -5.224 12.161 -6.666 1.00 0.00 C ATOM 405 O GLY A 30 -5.899 11.136 -6.579 1.00 0.00 O ATOM 0 H GLY A 30 -7.601 13.630 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.314 14.279 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.916 13.374 -4.931 1.00 0.00 H new ATOM 409 N ASN A 31 -4.188 12.277 -7.490 1.00 0.00 N ATOM 410 CA ASN A 31 -3.776 11.181 -8.359 1.00 0.00 C ATOM 411 C ASN A 31 -2.407 10.647 -7.950 1.00 0.00 C ATOM 412 O ASN A 31 -1.378 11.253 -8.248 1.00 0.00 O ATOM 413 CB ASN A 31 -3.740 11.644 -9.817 1.00 0.00 C ATOM 414 CG ASN A 31 -4.931 12.511 -10.178 1.00 0.00 C ATOM 415 OD1 ASN A 31 -4.857 13.739 -10.125 1.00 0.00 O ATOM 416 ND2 ASN A 31 -6.036 11.875 -10.547 1.00 0.00 N ATOM 0 H ASN A 31 -3.618 13.119 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.505 10.377 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.821 12.202 -9.996 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.717 10.773 -10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.869 12.406 -10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.052 10.856 -10.576 1.00 0.00 H new ATOM 423 N PHE A 32 -2.403 9.508 -7.265 1.00 0.00 N ATOM 424 CA PHE A 32 -1.161 8.892 -6.813 1.00 0.00 C ATOM 425 C PHE A 32 -0.807 7.685 -7.677 1.00 0.00 C ATOM 426 O PHE A 32 0.364 7.433 -7.964 1.00 0.00 O ATOM 427 CB PHE A 32 -1.280 8.467 -5.348 1.00 0.00 C ATOM 428 CG PHE A 32 -0.928 9.557 -4.377 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.259 10.261 -4.506 1.00 0.00 C ATOM 430 CD2 PHE A 32 -1.784 9.879 -3.337 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.585 11.264 -3.613 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.463 10.882 -2.441 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.277 11.576 -2.580 1.00 0.00 C ATOM 0 H PHE A 32 -3.246 8.993 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.364 9.630 -6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.301 8.136 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.629 7.611 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.936 10.023 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.713 9.340 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.514 11.804 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.139 11.122 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.024 12.361 -1.883 1.00 0.00 H new ATOM 443 N LEU A 33 -1.828 6.941 -8.090 1.00 0.00 N ATOM 444 CA LEU A 33 -1.626 5.759 -8.921 1.00 0.00 C ATOM 445 C LEU A 33 -0.496 5.983 -9.921 1.00 0.00 C ATOM 446 O LEU A 33 0.285 5.075 -10.202 1.00 0.00 O ATOM 447 CB LEU A 33 -2.917 5.407 -9.663 1.00 0.00 C ATOM 448 CG LEU A 33 -2.958 4.026 -10.319 1.00 0.00 C ATOM 449 CD1 LEU A 33 -3.016 2.934 -9.262 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.147 3.920 -11.263 1.00 0.00 C ATOM 0 H LEU A 33 -2.803 7.135 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.351 4.930 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.747 5.478 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.086 6.159 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.045 3.893 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.045 1.959 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.133 2.997 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.912 3.063 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.161 2.931 -11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.070 4.074 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.063 4.679 -12.041 1.00 0.00 H new ATOM 462 N GLU A 34 -0.417 7.198 -10.454 1.00 0.00 N ATOM 463 CA GLU A 34 0.619 7.541 -11.421 1.00 0.00 C ATOM 464 C GLU A 34 2.009 7.358 -10.819 1.00 0.00 C ATOM 465 O GLU A 34 2.756 6.463 -11.214 1.00 0.00 O ATOM 466 CB GLU A 34 0.444 8.984 -11.899 1.00 0.00 C ATOM 467 CG GLU A 34 -0.342 9.105 -13.194 1.00 0.00 C ATOM 468 CD GLU A 34 0.554 9.159 -14.417 1.00 0.00 C ATOM 469 OE1 GLU A 34 1.157 8.120 -14.757 1.00 0.00 O ATOM 470 OE2 GLU A 34 0.650 10.240 -15.034 1.00 0.00 O ATOM 0 H GLU A 34 -1.057 7.961 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 34 0.521 6.869 -12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.062 9.556 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.427 9.434 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.021 8.257 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.957 10.004 -13.159 1.00 0.00 H new ATOM 477 N VAL A 35 2.349 8.213 -9.860 1.00 0.00 N ATOM 478 CA VAL A 35 3.648 8.147 -9.201 1.00 0.00 C ATOM 479 C VAL A 35 3.892 6.765 -8.606 1.00 0.00 C ATOM 480 O VAL A 35 4.991 6.217 -8.708 1.00 0.00 O ATOM 481 CB VAL A 35 3.767 9.203 -8.086 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.081 8.719 -6.817 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.228 9.534 -7.819 1.00 0.00 C ATOM 0 H VAL A 35 1.742 8.960 -9.522 1.00 0.00 H new ATOM 0 HA VAL A 35 4.400 8.349 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 35 3.267 10.113 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.175 9.478 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.026 8.537 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.550 7.795 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.293 10.282 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.755 8.631 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.684 9.926 -8.728 1.00 0.00 H new ATOM 493 N THR A 36 2.860 6.204 -7.983 1.00 0.00 N ATOM 494 CA THR A 36 2.962 4.886 -7.370 1.00 0.00 C ATOM 495 C THR A 36 3.438 3.846 -8.378 1.00 0.00 C ATOM 496 O THR A 36 4.440 3.166 -8.156 1.00 0.00 O ATOM 497 CB THR A 36 1.612 4.434 -6.782 1.00 0.00 C ATOM 498 OG1 THR A 36 1.286 5.229 -5.636 1.00 0.00 O ATOM 499 CG2 THR A 36 1.658 2.965 -6.390 1.00 0.00 C ATOM 0 H THR A 36 1.944 6.643 -7.890 1.00 0.00 H new ATOM 0 HA THR A 36 3.692 4.968 -6.564 1.00 0.00 H new ATOM 0 HB THR A 36 0.845 4.566 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.413 4.955 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.694 2.668 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.878 2.360 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.436 2.812 -5.642 1.00 0.00 H new ATOM 507 N GLU A 37 2.714 3.728 -9.487 1.00 0.00 N ATOM 508 CA GLU A 37 3.063 2.770 -10.529 1.00 0.00 C ATOM 509 C GLU A 37 4.511 2.955 -10.974 1.00 0.00 C ATOM 510 O GLU A 37 5.299 2.009 -10.965 1.00 0.00 O ATOM 511 CB GLU A 37 2.126 2.923 -11.728 1.00 0.00 C ATOM 512 CG GLU A 37 0.775 2.255 -11.534 1.00 0.00 C ATOM 513 CD GLU A 37 0.100 1.910 -12.847 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.585 2.788 -13.412 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.258 0.761 -13.310 1.00 0.00 O ATOM 0 H GLU A 37 1.882 4.284 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 37 2.953 1.767 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.972 3.984 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.607 2.501 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.905 1.346 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.126 2.916 -10.959 1.00 0.00 H new ATOM 522 N GLN A 38 4.853 4.178 -11.364 1.00 0.00 N ATOM 523 CA GLN A 38 6.205 4.487 -11.814 1.00 0.00 C ATOM 524 C GLN A 38 7.242 3.911 -10.855 1.00 0.00 C ATOM 525 O GLN A 38 8.276 3.395 -11.281 1.00 0.00 O ATOM 526 CB GLN A 38 6.391 6.000 -11.937 1.00 0.00 C ATOM 527 CG GLN A 38 5.640 6.612 -13.108 1.00 0.00 C ATOM 528 CD GLN A 38 6.437 6.574 -14.397 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.809 5.503 -14.879 1.00 0.00 O ATOM 530 NE2 GLN A 38 6.703 7.745 -14.964 1.00 0.00 N ATOM 0 H GLN A 38 4.212 4.972 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 38 6.349 4.030 -12.793 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.058 6.475 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.453 6.220 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.700 6.078 -13.251 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.387 7.646 -12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.375 8.608 -14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.235 7.781 -15.833 1.00 0.00 H new ATOM 539 N ILE A 39 6.960 4.004 -9.560 1.00 0.00 N ATOM 540 CA ILE A 39 7.868 3.492 -8.542 1.00 0.00 C ATOM 541 C ILE A 39 7.878 1.967 -8.530 1.00 0.00 C ATOM 542 O ILE A 39 8.926 1.343 -8.364 1.00 0.00 O ATOM 543 CB ILE A 39 7.487 4.002 -7.140 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.505 5.532 -7.108 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.435 3.434 -6.094 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.885 6.116 -6.904 1.00 0.00 C ATOM 0 H ILE A 39 6.109 4.429 -9.191 1.00 0.00 H new ATOM 0 HA ILE A 39 8.863 3.857 -8.795 1.00 0.00 H new ATOM 0 HB ILE A 39 6.477 3.664 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.093 5.912 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.851 5.878 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.153 3.804 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.377 2.346 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.455 3.745 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.821 7.204 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.292 5.766 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.538 5.800 -7.718 1.00 0.00 H new ATOM 558 N LEU A 40 6.703 1.373 -8.710 1.00 0.00 N ATOM 559 CA LEU A 40 6.576 -0.081 -8.722 1.00 0.00 C ATOM 560 C LEU A 40 7.518 -0.701 -9.748 1.00 0.00 C ATOM 561 O LEU A 40 8.181 -1.701 -9.473 1.00 0.00 O ATOM 562 CB LEU A 40 5.132 -0.483 -9.030 1.00 0.00 C ATOM 563 CG LEU A 40 4.148 -0.395 -7.863 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.737 -0.719 -8.329 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.568 -1.332 -6.739 1.00 0.00 C ATOM 0 H LEU A 40 5.826 1.875 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 40 6.848 -0.454 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.764 0.150 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.133 -1.507 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 40 4.158 0.626 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.051 -0.651 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.436 -0.009 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.712 -1.729 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.856 -1.256 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.588 -2.357 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.561 -1.054 -6.386 1.00 0.00 H new ATOM 577 N ALA A 41 7.574 -0.100 -10.932 1.00 0.00 N ATOM 578 CA ALA A 41 8.439 -0.591 -11.998 1.00 0.00 C ATOM 579 C ALA A 41 9.905 -0.547 -11.580 1.00 0.00 C ATOM 580 O ALA A 41 10.776 -1.066 -12.278 1.00 0.00 O ATOM 581 CB ALA A 41 8.225 0.221 -13.267 1.00 0.00 C ATOM 0 H ALA A 41 7.031 0.728 -11.177 1.00 0.00 H new ATOM 0 HA ALA A 41 8.176 -1.630 -12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.877 -0.156 -14.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.186 0.134 -13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.459 1.268 -13.073 1.00 0.00 H new ATOM 587 N LYS A 42 10.171 0.076 -10.437 1.00 0.00 N ATOM 588 CA LYS A 42 11.531 0.188 -9.925 1.00 0.00 C ATOM 589 C LYS A 42 11.757 -0.776 -8.764 1.00 0.00 C ATOM 590 O LYS A 42 12.870 -1.258 -8.553 1.00 0.00 O ATOM 591 CB LYS A 42 11.811 1.623 -9.472 1.00 0.00 C ATOM 592 CG LYS A 42 12.092 2.579 -10.618 1.00 0.00 C ATOM 593 CD LYS A 42 11.925 4.027 -10.191 1.00 0.00 C ATOM 594 CE LYS A 42 13.207 4.583 -9.590 1.00 0.00 C ATOM 595 NZ LYS A 42 14.171 5.013 -10.641 1.00 0.00 N ATOM 0 H LYS A 42 9.462 0.511 -9.847 1.00 0.00 H new ATOM 0 HA LYS A 42 12.218 -0.073 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.955 1.990 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.665 1.621 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.107 2.421 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.417 2.363 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.634 4.630 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.118 4.102 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.969 5.430 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.671 3.825 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.031 5.386 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.418 4.199 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.738 5.755 -11.227 1.00 0.00 H new ATOM 609 N ILE A 43 10.694 -1.053 -8.017 1.00 0.00 N ATOM 610 CA ILE A 43 10.776 -1.961 -6.879 1.00 0.00 C ATOM 611 C ILE A 43 10.755 -3.416 -7.335 1.00 0.00 C ATOM 612 O ILE A 43 9.841 -3.862 -8.029 1.00 0.00 O ATOM 613 CB ILE A 43 9.621 -1.728 -5.888 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.526 -0.246 -5.520 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.813 -2.579 -4.641 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.367 0.076 -4.602 1.00 0.00 C ATOM 0 H ILE A 43 9.766 -0.662 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 43 11.721 -1.753 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 43 8.687 -2.024 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.455 0.061 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.430 0.341 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.989 -2.403 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.835 -3.633 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.753 -2.312 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.362 1.144 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.431 -0.200 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.472 -0.484 -3.673 1.00 0.00 H new ATOM 628 N PRO A 44 11.785 -4.176 -6.936 1.00 0.00 N ATOM 629 CA PRO A 44 11.907 -5.594 -7.290 1.00 0.00 C ATOM 630 C PRO A 44 10.868 -6.459 -6.585 1.00 0.00 C ATOM 631 O PRO A 44 9.974 -5.947 -5.911 1.00 0.00 O ATOM 632 CB PRO A 44 13.316 -5.958 -6.816 1.00 0.00 C ATOM 633 CG PRO A 44 13.613 -4.985 -5.727 1.00 0.00 C ATOM 634 CD PRO A 44 12.910 -3.711 -6.107 1.00 0.00 C ATOM 0 HA PRO A 44 11.743 -5.764 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.358 -6.985 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.040 -5.877 -7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.257 -5.355 -4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.687 -4.824 -5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.564 -3.166 -5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.566 -3.040 -6.661 1.00 0.00 H new ATOM 642 N SER A 45 10.992 -7.772 -6.744 1.00 0.00 N ATOM 643 CA SER A 45 10.061 -8.709 -6.124 1.00 0.00 C ATOM 644 C SER A 45 10.786 -9.630 -5.148 1.00 0.00 C ATOM 645 O SER A 45 10.296 -10.709 -4.817 1.00 0.00 O ATOM 646 CB SER A 45 9.351 -9.539 -7.196 1.00 0.00 C ATOM 647 OG SER A 45 8.863 -8.715 -8.240 1.00 0.00 O ATOM 0 H SER A 45 11.728 -8.212 -7.297 1.00 0.00 H new ATOM 0 HA SER A 45 9.320 -8.134 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.041 -10.278 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.524 -10.089 -6.746 1.00 0.00 H new ATOM 0 HG SER A 45 8.415 -9.270 -8.913 1.00 0.00 H new ATOM 653 N GLU A 46 11.956 -9.195 -4.691 1.00 0.00 N ATOM 654 CA GLU A 46 12.749 -9.980 -3.753 1.00 0.00 C ATOM 655 C GLU A 46 12.512 -9.517 -2.318 1.00 0.00 C ATOM 656 O GLU A 46 12.219 -8.348 -2.073 1.00 0.00 O ATOM 657 CB GLU A 46 14.236 -9.875 -4.095 1.00 0.00 C ATOM 658 CG GLU A 46 14.824 -8.497 -3.839 1.00 0.00 C ATOM 659 CD GLU A 46 16.016 -8.197 -4.727 1.00 0.00 C ATOM 660 OE1 GLU A 46 15.947 -8.504 -5.935 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.017 -7.654 -4.214 1.00 0.00 O ATOM 0 H GLU A 46 12.375 -8.304 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 46 12.437 -11.021 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.788 -10.611 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.378 -10.132 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.055 -7.742 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.126 -8.423 -2.794 1.00 0.00 H new ATOM 668 N ASN A 47 12.640 -10.444 -1.375 1.00 0.00 N ATOM 669 CA ASN A 47 12.439 -10.132 0.036 1.00 0.00 C ATOM 670 C ASN A 47 13.395 -9.033 0.491 1.00 0.00 C ATOM 671 O ASN A 47 14.539 -9.303 0.853 1.00 0.00 O ATOM 672 CB ASN A 47 12.640 -11.385 0.891 1.00 0.00 C ATOM 673 CG ASN A 47 13.984 -12.042 0.646 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.331 -12.368 -0.489 1.00 0.00 O ATOM 675 ND2 ASN A 47 14.748 -12.240 1.714 1.00 0.00 N ATOM 0 H ASN A 47 12.882 -11.417 -1.562 1.00 0.00 H new ATOM 0 HA ASN A 47 11.417 -9.775 0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.555 -11.120 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.845 -12.099 0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.663 -12.678 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.420 -11.954 2.636 1.00 0.00 H new ATOM 682 N ASN A 48 12.916 -7.794 0.471 1.00 0.00 N ATOM 683 CA ASN A 48 13.727 -6.654 0.882 1.00 0.00 C ATOM 684 C ASN A 48 12.899 -5.373 0.895 1.00 0.00 C ATOM 685 O ASN A 48 12.082 -5.139 0.004 1.00 0.00 O ATOM 686 CB ASN A 48 14.926 -6.490 -0.055 1.00 0.00 C ATOM 687 CG ASN A 48 15.806 -5.317 0.332 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.379 -5.289 1.421 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.916 -4.341 -0.562 1.00 0.00 N ATOM 0 H ASN A 48 11.970 -7.554 0.175 1.00 0.00 H new ATOM 0 HA ASN A 48 14.087 -6.843 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.519 -7.404 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.570 -6.352 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.494 -3.526 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.423 -4.407 -1.452 1.00 0.00 H new ATOM 696 N LYS A 49 13.116 -4.545 1.911 1.00 0.00 N ATOM 697 CA LYS A 49 12.392 -3.286 2.041 1.00 0.00 C ATOM 698 C LYS A 49 13.358 -2.108 2.122 1.00 0.00 C ATOM 699 O LYS A 49 14.525 -2.273 2.482 1.00 0.00 O ATOM 700 CB LYS A 49 11.499 -3.313 3.284 1.00 0.00 C ATOM 701 CG LYS A 49 12.253 -3.613 4.568 1.00 0.00 C ATOM 702 CD LYS A 49 11.312 -3.705 5.758 1.00 0.00 C ATOM 703 CE LYS A 49 11.968 -4.415 6.932 1.00 0.00 C ATOM 704 NZ LYS A 49 11.907 -5.896 6.790 1.00 0.00 N ATOM 0 H LYS A 49 13.788 -4.723 2.657 1.00 0.00 H new ATOM 0 HA LYS A 49 11.769 -3.162 1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.999 -2.350 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.721 -4.063 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.798 -4.551 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.993 -2.833 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.008 -2.703 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.407 -4.239 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.009 -4.100 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.474 -4.118 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.365 -6.343 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.913 -6.199 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.400 -6.182 5.920 1.00 0.00 H new ATOM 718 N LEU A 50 12.866 -0.921 1.786 1.00 0.00 N ATOM 719 CA LEU A 50 13.686 0.285 1.822 1.00 0.00 C ATOM 720 C LEU A 50 12.814 1.535 1.876 1.00 0.00 C ATOM 721 O LEU A 50 11.768 1.605 1.229 1.00 0.00 O ATOM 722 CB LEU A 50 14.601 0.340 0.598 1.00 0.00 C ATOM 723 CG LEU A 50 15.186 1.712 0.258 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.533 1.562 -0.430 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.222 2.499 -0.618 1.00 0.00 C ATOM 0 H LEU A 50 11.903 -0.768 1.486 1.00 0.00 H new ATOM 0 HA LEU A 50 14.297 0.252 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.425 -0.356 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.041 -0.018 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 50 15.335 2.263 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.934 2.548 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.223 1.038 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.410 0.992 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.654 3.472 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.042 1.952 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.279 2.637 -0.089 1.00 0.00 H new ATOM 737 N THR A 51 13.251 2.524 2.650 1.00 0.00 N ATOM 738 CA THR A 51 12.512 3.772 2.787 1.00 0.00 C ATOM 739 C THR A 51 12.807 4.717 1.628 1.00 0.00 C ATOM 740 O THR A 51 13.921 5.226 1.498 1.00 0.00 O ATOM 741 CB THR A 51 12.849 4.482 4.112 1.00 0.00 C ATOM 742 OG1 THR A 51 12.612 3.600 5.214 1.00 0.00 O ATOM 743 CG2 THR A 51 12.015 5.744 4.277 1.00 0.00 C ATOM 0 H THR A 51 14.114 2.484 3.192 1.00 0.00 H new ATOM 0 HA THR A 51 11.453 3.514 2.780 1.00 0.00 H new ATOM 0 HB THR A 51 13.902 4.762 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.830 4.058 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.270 6.228 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.220 6.426 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.957 5.483 4.278 1.00 0.00 H new ATOM 751 N TYR A 52 11.805 4.946 0.787 1.00 0.00 N ATOM 752 CA TYR A 52 11.958 5.829 -0.363 1.00 0.00 C ATOM 753 C TYR A 52 11.277 7.171 -0.114 1.00 0.00 C ATOM 754 O TYR A 52 10.065 7.237 0.089 1.00 0.00 O ATOM 755 CB TYR A 52 11.377 5.174 -1.617 1.00 0.00 C ATOM 756 CG TYR A 52 12.052 5.611 -2.897 1.00 0.00 C ATOM 757 CD1 TYR A 52 12.143 6.956 -3.233 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.597 4.679 -3.771 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.758 7.360 -4.402 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.215 5.074 -4.942 1.00 0.00 C ATOM 761 CZ TYR A 52 13.293 6.415 -5.253 1.00 0.00 C ATOM 762 OH TYR A 52 13.907 6.813 -6.419 1.00 0.00 O ATOM 0 H TYR A 52 10.877 4.532 0.880 1.00 0.00 H new ATOM 0 HA TYR A 52 13.023 6.005 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.461 4.091 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.314 5.407 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.726 7.698 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.537 3.628 -3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.820 8.410 -4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.635 4.336 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 52 14.230 6.025 -6.904 1.00 0.00 H new ATOM 772 N SER A 53 12.066 8.241 -0.134 1.00 0.00 N ATOM 773 CA SER A 53 11.541 9.582 0.093 1.00 0.00 C ATOM 774 C SER A 53 11.297 10.300 -1.231 1.00 0.00 C ATOM 775 O SER A 53 12.227 10.822 -1.848 1.00 0.00 O ATOM 776 CB SER A 53 12.510 10.393 0.955 1.00 0.00 C ATOM 777 OG SER A 53 13.785 10.483 0.343 1.00 0.00 O ATOM 0 H SER A 53 13.071 8.205 -0.305 1.00 0.00 H new ATOM 0 HA SER A 53 10.590 9.490 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.109 11.394 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.606 9.927 1.936 1.00 0.00 H new ATOM 0 HG SER A 53 13.678 10.708 -0.605 1.00 0.00 H new ATOM 783 N HIS A 54 10.040 10.323 -1.662 1.00 0.00 N ATOM 784 CA HIS A 54 9.672 10.978 -2.913 1.00 0.00 C ATOM 785 C HIS A 54 8.795 12.198 -2.650 1.00 0.00 C ATOM 786 O HIS A 54 7.761 12.101 -1.991 1.00 0.00 O ATOM 787 CB HIS A 54 8.941 9.998 -3.830 1.00 0.00 C ATOM 788 CG HIS A 54 9.094 10.312 -5.286 1.00 0.00 C ATOM 789 ND1 HIS A 54 10.290 10.704 -5.850 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.193 10.289 -6.297 1.00 0.00 C ATOM 791 CE1 HIS A 54 10.118 10.910 -7.144 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.855 10.664 -7.440 1.00 0.00 N ATOM 0 H HIS A 54 9.259 9.896 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 54 10.587 11.310 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.314 8.991 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.881 9.998 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.149 10.025 -6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.881 11.226 -7.841 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.438 10.740 -8.368 1.00 0.00 H new ATOM 801 N GLY A 55 9.217 13.347 -3.169 1.00 0.00 N ATOM 802 CA GLY A 55 8.458 14.570 -2.979 1.00 0.00 C ATOM 803 C GLY A 55 8.147 14.838 -1.520 1.00 0.00 C ATOM 804 O GLY A 55 8.902 14.440 -0.634 1.00 0.00 O ATOM 0 H GLY A 55 10.070 13.453 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.020 15.410 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.526 14.506 -3.540 1.00 0.00 H new ATOM 808 N ASN A 56 7.031 15.515 -1.269 1.00 0.00 N ATOM 809 CA ASN A 56 6.623 15.837 0.093 1.00 0.00 C ATOM 810 C ASN A 56 5.809 14.699 0.701 1.00 0.00 C ATOM 811 O ASN A 56 4.856 14.931 1.445 1.00 0.00 O ATOM 812 CB ASN A 56 5.803 17.129 0.110 1.00 0.00 C ATOM 813 CG ASN A 56 6.677 18.368 0.070 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.944 18.919 -0.998 1.00 0.00 O ATOM 815 ND2 ASN A 56 7.128 18.812 1.238 1.00 0.00 N ATOM 0 H ASN A 56 6.394 15.851 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 56 7.523 15.977 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.126 17.138 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.185 17.152 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.721 19.641 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.881 18.324 2.099 1.00 0.00 H new ATOM 822 N TYR A 57 6.193 13.468 0.380 1.00 0.00 N ATOM 823 CA TYR A 57 5.498 12.293 0.893 1.00 0.00 C ATOM 824 C TYR A 57 6.462 11.122 1.062 1.00 0.00 C ATOM 825 O TYR A 57 7.492 11.048 0.390 1.00 0.00 O ATOM 826 CB TYR A 57 4.358 11.898 -0.047 1.00 0.00 C ATOM 827 CG TYR A 57 3.146 12.796 0.060 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.081 13.994 -0.641 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.067 12.448 0.863 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.977 14.819 -0.545 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.958 13.265 0.963 1.00 0.00 C ATOM 832 CZ TYR A 57 0.918 14.449 0.258 1.00 0.00 C ATOM 833 OH TYR A 57 -0.185 15.267 0.356 1.00 0.00 O ATOM 0 H TYR A 57 6.981 13.258 -0.233 1.00 0.00 H new ATOM 0 HA TYR A 57 5.084 12.544 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.723 11.915 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.060 10.872 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.908 14.285 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.096 11.522 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.943 15.748 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.127 12.978 1.590 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.841 14.861 0.960 1.00 0.00 H new ATOM 843 N LEU A 58 6.119 10.208 1.963 1.00 0.00 N ATOM 844 CA LEU A 58 6.951 9.039 2.222 1.00 0.00 C ATOM 845 C LEU A 58 6.415 7.815 1.485 1.00 0.00 C ATOM 846 O LEU A 58 5.220 7.523 1.532 1.00 0.00 O ATOM 847 CB LEU A 58 7.016 8.756 3.724 1.00 0.00 C ATOM 848 CG LEU A 58 7.503 9.909 4.603 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.348 9.559 6.075 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.951 10.249 4.283 1.00 0.00 C ATOM 0 H LEU A 58 5.270 10.254 2.526 1.00 0.00 H new ATOM 0 HA LEU A 58 7.955 9.251 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.022 8.463 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.672 7.901 3.884 1.00 0.00 H new ATOM 0 HG LEU A 58 6.890 10.786 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.699 10.391 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.298 9.366 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.935 8.669 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.280 11.071 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.578 9.376 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.033 10.543 3.237 1.00 0.00 H new ATOM 862 N PHE A 59 7.308 7.101 0.807 1.00 0.00 N ATOM 863 CA PHE A 59 6.925 5.908 0.062 1.00 0.00 C ATOM 864 C PHE A 59 7.485 4.651 0.722 1.00 0.00 C ATOM 865 O PHE A 59 8.640 4.283 0.502 1.00 0.00 O ATOM 866 CB PHE A 59 7.420 6.002 -1.383 1.00 0.00 C ATOM 867 CG PHE A 59 6.575 6.891 -2.250 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.180 8.143 -1.804 1.00 0.00 C ATOM 869 CD2 PHE A 59 6.175 6.475 -3.509 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.401 8.962 -2.599 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.396 7.291 -4.309 1.00 0.00 C ATOM 872 CZ PHE A 59 5.010 8.536 -3.854 1.00 0.00 C ATOM 0 H PHE A 59 8.301 7.328 0.758 1.00 0.00 H new ATOM 0 HA PHE A 59 5.837 5.844 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.444 6.374 -1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.444 5.002 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.484 8.482 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.475 5.502 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.098 9.934 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.090 6.955 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.404 9.176 -4.478 1.00 0.00 H new ATOM 882 N HIS A 60 6.659 3.997 1.532 1.00 0.00 N ATOM 883 CA HIS A 60 7.071 2.781 2.225 1.00 0.00 C ATOM 884 C HIS A 60 6.576 1.541 1.487 1.00 0.00 C ATOM 885 O HIS A 60 5.371 1.322 1.360 1.00 0.00 O ATOM 886 CB HIS A 60 6.540 2.782 3.659 1.00 0.00 C ATOM 887 CG HIS A 60 6.931 3.997 4.442 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.242 4.334 4.704 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.174 4.959 5.020 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.275 5.450 5.411 1.00 0.00 C ATOM 891 NE2 HIS A 60 7.033 5.850 5.616 1.00 0.00 N ATOM 0 H HIS A 60 5.701 4.288 1.725 1.00 0.00 H new ATOM 0 HA HIS A 60 8.160 2.757 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.453 2.710 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.907 1.894 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.095 5.015 5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.166 5.950 5.762 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.757 6.685 6.133 1.00 0.00 H new ATOM 900 N TYR A 61 7.513 0.735 1.001 1.00 0.00 N ATOM 901 CA TYR A 61 7.172 -0.482 0.273 1.00 0.00 C ATOM 902 C TYR A 61 7.756 -1.711 0.962 1.00 0.00 C ATOM 903 O TYR A 61 8.916 -1.712 1.376 1.00 0.00 O ATOM 904 CB TYR A 61 7.683 -0.399 -1.167 1.00 0.00 C ATOM 905 CG TYR A 61 9.097 -0.906 -1.337 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.379 -2.266 -1.296 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.152 -0.024 -1.541 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.669 -2.733 -1.451 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.445 -0.483 -1.698 1.00 0.00 C ATOM 910 CZ TYR A 61 11.699 -1.838 -1.652 1.00 0.00 C ATOM 911 OH TYR A 61 12.986 -2.299 -1.808 1.00 0.00 O ATOM 0 H TYR A 61 8.515 0.902 1.098 1.00 0.00 H new ATOM 0 HA TYR A 61 6.086 -0.577 0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.020 -0.974 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.635 0.637 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.575 -2.970 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.957 1.038 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.870 -3.793 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.253 0.216 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 61 13.591 -1.540 -1.941 1.00 0.00 H new ATOM 921 N ILE A 62 6.944 -2.756 1.081 1.00 0.00 N ATOM 922 CA ILE A 62 7.380 -3.993 1.717 1.00 0.00 C ATOM 923 C ILE A 62 7.261 -5.175 0.761 1.00 0.00 C ATOM 924 O ILE A 62 6.159 -5.638 0.465 1.00 0.00 O ATOM 925 CB ILE A 62 6.562 -4.290 2.988 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.522 -3.059 3.895 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.149 -5.482 3.729 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.565 -3.196 5.058 1.00 0.00 C ATOM 0 H ILE A 62 5.981 -2.771 0.745 1.00 0.00 H new ATOM 0 HA ILE A 62 8.426 -3.856 1.991 1.00 0.00 H new ATOM 0 HB ILE A 62 5.541 -4.535 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.524 -2.869 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.238 -2.190 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.560 -5.679 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.130 -6.359 3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.178 -5.263 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.589 -2.286 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.555 -3.356 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.861 -4.045 5.674 1.00 0.00 H new ATOM 940 N CYS A 63 8.402 -5.660 0.284 1.00 0.00 N ATOM 941 CA CYS A 63 8.426 -6.789 -0.638 1.00 0.00 C ATOM 942 C CYS A 63 8.304 -8.110 0.116 1.00 0.00 C ATOM 943 O CYS A 63 9.034 -8.357 1.075 1.00 0.00 O ATOM 944 CB CYS A 63 9.716 -6.776 -1.460 1.00 0.00 C ATOM 945 SG CYS A 63 9.666 -5.676 -2.894 1.00 0.00 S ATOM 0 H CYS A 63 9.322 -5.289 0.521 1.00 0.00 H new ATOM 0 HA CYS A 63 7.573 -6.695 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.542 -6.477 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.928 -7.790 -1.800 1.00 0.00 H new ATOM 0 HG CYS A 63 9.756 -4.441 -2.497 1.00 0.00 H new ATOM 951 N GLN A 64 7.374 -8.952 -0.323 1.00 0.00 N ATOM 952 CA GLN A 64 7.154 -10.246 0.313 1.00 0.00 C ATOM 953 C GLN A 64 6.333 -11.162 -0.588 1.00 0.00 C ATOM 954 O GLN A 64 5.284 -10.769 -1.099 1.00 0.00 O ATOM 955 CB GLN A 64 6.447 -10.064 1.657 1.00 0.00 C ATOM 956 CG GLN A 64 6.610 -11.248 2.596 1.00 0.00 C ATOM 957 CD GLN A 64 7.968 -11.275 3.270 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.939 -10.718 2.758 1.00 0.00 O ATOM 959 NE2 GLN A 64 8.043 -11.926 4.425 1.00 0.00 N ATOM 0 H GLN A 64 6.761 -8.762 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 64 8.126 -10.710 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.835 -9.169 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.385 -9.895 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.831 -11.213 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.468 -12.173 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.213 -12.373 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.931 -11.979 4.924 1.00 0.00 H new ATOM 968 N ASP A 65 6.816 -12.385 -0.777 1.00 0.00 N ATOM 969 CA ASP A 65 6.126 -13.358 -1.616 1.00 0.00 C ATOM 970 C ASP A 65 5.767 -12.752 -2.969 1.00 0.00 C ATOM 971 O ASP A 65 4.673 -12.974 -3.489 1.00 0.00 O ATOM 972 CB ASP A 65 4.862 -13.860 -0.917 1.00 0.00 C ATOM 973 CG ASP A 65 4.511 -15.283 -1.306 1.00 0.00 C ATOM 974 OD1 ASP A 65 3.830 -15.466 -2.337 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.919 -16.214 -0.580 1.00 0.00 O ATOM 0 H ASP A 65 7.682 -12.726 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 65 6.799 -14.199 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.002 -13.806 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.028 -13.203 -1.164 1.00 0.00 H new ATOM 980 N ARG A 66 6.694 -11.985 -3.533 1.00 0.00 N ATOM 981 CA ARG A 66 6.475 -11.345 -4.824 1.00 0.00 C ATOM 982 C ARG A 66 5.332 -10.337 -4.744 1.00 0.00 C ATOM 983 O ARG A 66 4.617 -10.115 -5.722 1.00 0.00 O ATOM 984 CB ARG A 66 6.168 -12.395 -5.893 1.00 0.00 C ATOM 985 CG ARG A 66 7.329 -13.336 -6.173 1.00 0.00 C ATOM 986 CD ARG A 66 7.227 -13.948 -7.562 1.00 0.00 C ATOM 987 NE ARG A 66 8.023 -15.166 -7.683 1.00 0.00 N ATOM 988 CZ ARG A 66 8.481 -15.633 -8.839 1.00 0.00 C ATOM 989 NH1 ARG A 66 8.222 -14.987 -9.968 1.00 0.00 N ATOM 990 NH2 ARG A 66 9.199 -16.748 -8.868 1.00 0.00 N ATOM 0 H ARG A 66 7.604 -11.792 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 66 7.387 -10.814 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.304 -12.981 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.890 -11.889 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.269 -12.793 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.345 -14.129 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.184 -14.173 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.560 -13.222 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 66 8.239 -15.687 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.670 -14.129 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.575 -15.348 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.400 -17.248 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.550 -17.106 -9.756 1.00 0.00 H new ATOM 1004 N ILE A 67 5.166 -9.730 -3.573 1.00 0.00 N ATOM 1005 CA ILE A 67 4.111 -8.746 -3.366 1.00 0.00 C ATOM 1006 C ILE A 67 4.671 -7.454 -2.781 1.00 0.00 C ATOM 1007 O ILE A 67 5.308 -7.462 -1.727 1.00 0.00 O ATOM 1008 CB ILE A 67 3.013 -9.286 -2.431 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.766 -10.771 -2.703 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.729 -8.489 -2.606 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.393 -11.068 -4.139 1.00 0.00 C ATOM 0 H ILE A 67 5.749 -9.903 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 67 3.675 -8.540 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 67 3.348 -9.176 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.663 -11.334 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.969 -11.124 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.963 -8.883 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.915 -7.442 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.388 -8.571 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.233 -12.139 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.478 -10.533 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.199 -10.746 -4.798 1.00 0.00 H new ATOM 1023 N VAL A 68 4.428 -6.344 -3.471 1.00 0.00 N ATOM 1024 CA VAL A 68 4.906 -5.043 -3.018 1.00 0.00 C ATOM 1025 C VAL A 68 3.766 -4.206 -2.449 1.00 0.00 C ATOM 1026 O VAL A 68 2.799 -3.900 -3.147 1.00 0.00 O ATOM 1027 CB VAL A 68 5.579 -4.263 -4.164 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.099 -2.924 -3.664 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.701 -5.084 -4.780 1.00 0.00 C ATOM 0 H VAL A 68 3.903 -6.320 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 68 5.641 -5.230 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 68 4.835 -4.071 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.571 -2.387 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.269 -2.334 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.830 -3.090 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.165 -4.518 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.448 -5.309 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.295 -6.015 -5.176 1.00 0.00 H new ATOM 1039 N TYR A 69 3.886 -3.840 -1.178 1.00 0.00 N ATOM 1040 CA TYR A 69 2.864 -3.040 -0.514 1.00 0.00 C ATOM 1041 C TYR A 69 3.336 -1.602 -0.323 1.00 0.00 C ATOM 1042 O TYR A 69 4.049 -1.291 0.632 1.00 0.00 O ATOM 1043 CB TYR A 69 2.506 -3.654 0.841 1.00 0.00 C ATOM 1044 CG TYR A 69 1.991 -5.073 0.745 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.866 -6.140 0.584 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.631 -5.345 0.814 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.400 -7.438 0.496 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.156 -6.640 0.727 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.045 -7.683 0.568 1.00 0.00 C ATOM 1050 OH TYR A 69 0.576 -8.974 0.480 1.00 0.00 O ATOM 0 H TYR A 69 4.681 -4.084 -0.587 1.00 0.00 H new ATOM 0 HA TYR A 69 1.977 -3.032 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.388 -3.639 1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.750 -3.034 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.928 -5.952 0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.068 -4.531 0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.094 -8.256 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.905 -6.834 0.783 1.00 0.00 H new ATOM 0 HH TYR A 69 0.530 -9.367 1.377 1.00 0.00 H new ATOM 1060 N LEU A 70 2.933 -0.728 -1.239 1.00 0.00 N ATOM 1061 CA LEU A 70 3.314 0.679 -1.173 1.00 0.00 C ATOM 1062 C LEU A 70 2.235 1.503 -0.477 1.00 0.00 C ATOM 1063 O LEU A 70 1.041 1.273 -0.673 1.00 0.00 O ATOM 1064 CB LEU A 70 3.561 1.227 -2.580 1.00 0.00 C ATOM 1065 CG LEU A 70 4.118 2.649 -2.658 1.00 0.00 C ATOM 1066 CD1 LEU A 70 4.979 2.818 -3.900 1.00 0.00 C ATOM 1067 CD2 LEU A 70 2.986 3.666 -2.650 1.00 0.00 C ATOM 0 H LEU A 70 2.343 -0.968 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 70 4.234 0.754 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.253 0.559 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.621 1.196 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 70 4.743 2.822 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.366 3.836 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.811 2.114 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.378 2.625 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.401 4.672 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.336 3.493 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.410 3.562 -1.731 1.00 0.00 H new ATOM 1079 N CYS A 71 2.664 2.464 0.334 1.00 0.00 N ATOM 1080 CA CYS A 71 1.735 3.323 1.059 1.00 0.00 C ATOM 1081 C CYS A 71 2.312 4.725 1.231 1.00 0.00 C ATOM 1082 O CYS A 71 3.427 4.890 1.727 1.00 0.00 O ATOM 1083 CB CYS A 71 1.410 2.721 2.426 1.00 0.00 C ATOM 1084 SG CYS A 71 0.906 3.935 3.667 1.00 0.00 S ATOM 0 H CYS A 71 3.649 2.668 0.506 1.00 0.00 H new ATOM 0 HA CYS A 71 0.817 3.396 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.613 1.987 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.286 2.185 2.792 1.00 0.00 H new ATOM 0 HG CYS A 71 1.059 3.430 4.855 1.00 0.00 H new ATOM 1090 N ILE A 72 1.547 5.729 0.816 1.00 0.00 N ATOM 1091 CA ILE A 72 1.983 7.116 0.925 1.00 0.00 C ATOM 1092 C ILE A 72 1.550 7.726 2.253 1.00 0.00 C ATOM 1093 O ILE A 72 0.399 7.587 2.668 1.00 0.00 O ATOM 1094 CB ILE A 72 1.426 7.973 -0.227 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.920 7.439 -1.574 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.830 9.428 -0.048 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.976 7.727 -2.720 1.00 0.00 C ATOM 0 H ILE A 72 0.623 5.608 0.401 1.00 0.00 H new ATOM 0 HA ILE A 72 3.072 7.110 0.869 1.00 0.00 H new ATOM 0 HB ILE A 72 0.338 7.914 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.893 7.879 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.067 6.362 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.429 10.021 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.434 9.802 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.917 9.506 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.389 7.320 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.010 7.264 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.848 8.804 -2.824 1.00 0.00 H new ATOM 1109 N THR A 73 2.480 8.405 2.918 1.00 0.00 N ATOM 1110 CA THR A 73 2.195 9.038 4.199 1.00 0.00 C ATOM 1111 C THR A 73 2.936 10.363 4.335 1.00 0.00 C ATOM 1112 O THR A 73 4.019 10.540 3.776 1.00 0.00 O ATOM 1113 CB THR A 73 2.582 8.123 5.376 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.985 7.839 5.335 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.795 6.822 5.333 1.00 0.00 C ATOM 0 H THR A 73 3.438 8.530 2.590 1.00 0.00 H new ATOM 0 HA THR A 73 1.121 9.221 4.229 1.00 0.00 H new ATOM 0 HB THR A 73 2.343 8.642 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.223 7.258 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.086 6.193 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.729 7.040 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.006 6.300 4.400 1.00 0.00 H new ATOM 1123 N ASP A 74 2.347 11.292 5.080 1.00 0.00 N ATOM 1124 CA ASP A 74 2.953 12.601 5.291 1.00 0.00 C ATOM 1125 C ASP A 74 4.197 12.490 6.167 1.00 0.00 C ATOM 1126 O ASP A 74 4.329 11.556 6.959 1.00 0.00 O ATOM 1127 CB ASP A 74 1.945 13.556 5.934 1.00 0.00 C ATOM 1128 CG ASP A 74 2.376 15.006 5.833 1.00 0.00 C ATOM 1129 OD1 ASP A 74 3.298 15.403 6.576 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.791 15.743 5.012 1.00 0.00 O ATOM 0 H ASP A 74 1.450 11.162 5.548 1.00 0.00 H new ATOM 0 HA ASP A 74 3.249 12.997 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.975 13.434 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.816 13.291 6.983 1.00 0.00 H new ATOM 1135 N ASP A 75 5.106 13.447 6.018 1.00 0.00 N ATOM 1136 CA ASP A 75 6.340 13.456 6.796 1.00 0.00 C ATOM 1137 C ASP A 75 6.040 13.412 8.291 1.00 0.00 C ATOM 1138 O ASP A 75 6.786 12.812 9.066 1.00 0.00 O ATOM 1139 CB ASP A 75 7.167 14.700 6.465 1.00 0.00 C ATOM 1140 CG ASP A 75 6.396 15.985 6.695 1.00 0.00 C ATOM 1141 OD1 ASP A 75 5.717 16.446 5.754 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.473 16.531 7.816 1.00 0.00 O ATOM 0 H ASP A 75 5.012 14.226 5.366 1.00 0.00 H new ATOM 0 HA ASP A 75 6.914 12.567 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.069 14.706 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.488 14.653 5.424 1.00 0.00 H new ATOM 1147 N ASP A 76 4.946 14.051 8.689 1.00 0.00 N ATOM 1148 CA ASP A 76 4.548 14.085 10.092 1.00 0.00 C ATOM 1149 C ASP A 76 4.191 12.687 10.589 1.00 0.00 C ATOM 1150 O ASP A 76 4.402 12.360 11.757 1.00 0.00 O ATOM 1151 CB ASP A 76 3.359 15.027 10.284 1.00 0.00 C ATOM 1152 CG ASP A 76 3.495 16.303 9.477 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.587 16.909 9.505 1.00 0.00 O ATOM 1154 OD2 ASP A 76 2.510 16.697 8.817 1.00 0.00 O ATOM 0 H ASP A 76 4.319 14.553 8.060 1.00 0.00 H new ATOM 0 HA ASP A 76 5.392 14.454 10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.442 14.514 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.264 15.277 11.341 1.00 0.00 H new ATOM 1159 N PHE A 77 3.648 11.868 9.695 1.00 0.00 N ATOM 1160 CA PHE A 77 3.259 10.506 10.043 1.00 0.00 C ATOM 1161 C PHE A 77 4.488 9.643 10.319 1.00 0.00 C ATOM 1162 O PHE A 77 5.303 9.406 9.429 1.00 0.00 O ATOM 1163 CB PHE A 77 2.429 9.886 8.917 1.00 0.00 C ATOM 1164 CG PHE A 77 1.621 8.697 9.353 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.560 8.848 10.232 1.00 0.00 C ATOM 1166 CD2 PHE A 77 1.922 7.429 8.884 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.186 7.757 10.635 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.180 6.333 9.283 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.125 6.497 10.160 1.00 0.00 C ATOM 0 H PHE A 77 3.467 12.123 8.724 1.00 0.00 H new ATOM 0 HA PHE A 77 2.655 10.548 10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.757 10.643 8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.095 9.586 8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.313 9.830 10.607 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.746 7.295 8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.011 7.889 11.320 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.425 5.350 8.910 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.456 5.642 10.474 1.00 0.00 H new ATOM 1179 N GLU A 78 4.611 9.179 11.558 1.00 0.00 N ATOM 1180 CA GLU A 78 5.740 8.344 11.952 1.00 0.00 C ATOM 1181 C GLU A 78 5.824 7.095 11.079 1.00 0.00 C ATOM 1182 O GLU A 78 4.815 6.439 10.819 1.00 0.00 O ATOM 1183 CB GLU A 78 5.620 7.945 13.424 1.00 0.00 C ATOM 1184 CG GLU A 78 6.946 7.571 14.064 1.00 0.00 C ATOM 1185 CD GLU A 78 7.671 8.768 14.647 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.915 9.737 13.898 1.00 0.00 O ATOM 1187 OE2 GLU A 78 7.993 8.736 15.853 1.00 0.00 O ATOM 0 H GLU A 78 3.943 9.367 12.306 1.00 0.00 H new ATOM 0 HA GLU A 78 6.653 8.924 11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.178 8.771 13.981 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.935 7.101 13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.771 6.838 14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.582 7.093 13.319 1.00 0.00 H new ATOM 1194 N ARG A 79 7.032 6.774 10.630 1.00 0.00 N ATOM 1195 CA ARG A 79 7.247 5.605 9.785 1.00 0.00 C ATOM 1196 C ARG A 79 6.757 4.337 10.477 1.00 0.00 C ATOM 1197 O ARG A 79 6.083 3.506 9.867 1.00 0.00 O ATOM 1198 CB ARG A 79 8.731 5.468 9.436 1.00 0.00 C ATOM 1199 CG ARG A 79 9.164 6.338 8.268 1.00 0.00 C ATOM 1200 CD ARG A 79 9.623 7.710 8.735 1.00 0.00 C ATOM 1201 NE ARG A 79 10.905 7.650 9.434 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.350 8.611 10.236 1.00 0.00 C ATOM 1203 NH1 ARG A 79 10.621 9.699 10.440 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.527 8.483 10.836 1.00 0.00 N ATOM 0 H ARG A 79 7.877 7.306 10.837 1.00 0.00 H new ATOM 0 HA ARG A 79 6.676 5.741 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.327 5.727 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.946 4.426 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.973 5.847 7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.335 6.449 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.709 8.375 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.870 8.139 9.396 1.00 0.00 H new ATOM 0 HE ARG A 79 11.490 6.825 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.716 9.800 9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.965 10.435 11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.090 7.647 10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.868 9.221 11.452 1.00 0.00 H new ATOM 1218 N SER A 80 7.101 4.194 11.753 1.00 0.00 N ATOM 1219 CA SER A 80 6.699 3.025 12.527 1.00 0.00 C ATOM 1220 C SER A 80 5.247 2.657 12.241 1.00 0.00 C ATOM 1221 O SER A 80 4.938 1.510 11.917 1.00 0.00 O ATOM 1222 CB SER A 80 6.886 3.289 14.022 1.00 0.00 C ATOM 1223 OG SER A 80 6.131 4.413 14.440 1.00 0.00 O ATOM 0 H SER A 80 7.657 4.873 12.273 1.00 0.00 H new ATOM 0 HA SER A 80 7.332 2.188 12.231 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.581 2.410 14.590 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.942 3.456 14.236 1.00 0.00 H new ATOM 0 HG SER A 80 6.266 4.560 15.399 1.00 0.00 H new ATOM 1229 N ARG A 81 4.359 3.639 12.364 1.00 0.00 N ATOM 1230 CA ARG A 81 2.938 3.419 12.120 1.00 0.00 C ATOM 1231 C ARG A 81 2.703 2.902 10.704 1.00 0.00 C ATOM 1232 O ARG A 81 2.149 1.821 10.511 1.00 0.00 O ATOM 1233 CB ARG A 81 2.155 4.715 12.339 1.00 0.00 C ATOM 1234 CG ARG A 81 1.775 4.959 13.790 1.00 0.00 C ATOM 1235 CD ARG A 81 2.875 5.697 14.537 1.00 0.00 C ATOM 1236 NE ARG A 81 2.781 5.501 15.982 1.00 0.00 N ATOM 1237 CZ ARG A 81 3.455 6.227 16.867 1.00 0.00 C ATOM 1238 NH1 ARG A 81 4.268 7.191 16.457 1.00 0.00 N ATOM 1239 NH2 ARG A 81 3.317 5.989 18.165 1.00 0.00 N ATOM 0 H ARG A 81 4.598 4.594 12.631 1.00 0.00 H new ATOM 0 HA ARG A 81 2.586 2.666 12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.752 5.555 11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.248 4.688 11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.853 5.538 13.833 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.577 4.006 14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.847 5.350 14.186 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.816 6.762 14.311 1.00 0.00 H new ATOM 0 HE ARG A 81 2.164 4.767 16.330 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.377 7.377 15.460 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.784 7.747 17.139 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.693 5.248 18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.835 6.547 18.844 1.00 0.00 H new ATOM 1253 N ALA A 82 3.128 3.684 9.717 1.00 0.00 N ATOM 1254 CA ALA A 82 2.965 3.305 8.318 1.00 0.00 C ATOM 1255 C ALA A 82 3.358 1.849 8.095 1.00 0.00 C ATOM 1256 O ALA A 82 2.578 1.059 7.562 1.00 0.00 O ATOM 1257 CB ALA A 82 3.789 4.219 7.424 1.00 0.00 C ATOM 0 H ALA A 82 3.588 4.583 9.860 1.00 0.00 H new ATOM 0 HA ALA A 82 1.912 3.414 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.658 3.924 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.459 5.250 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.842 4.139 7.694 1.00 0.00 H new ATOM 1263 N PHE A 83 4.573 1.499 8.505 1.00 0.00 N ATOM 1264 CA PHE A 83 5.071 0.137 8.348 1.00 0.00 C ATOM 1265 C PHE A 83 4.121 -0.867 8.996 1.00 0.00 C ATOM 1266 O PHE A 83 3.788 -1.892 8.404 1.00 0.00 O ATOM 1267 CB PHE A 83 6.466 0.007 8.962 1.00 0.00 C ATOM 1268 CG PHE A 83 7.565 0.497 8.064 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.729 -0.034 6.795 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.433 1.490 8.488 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.740 0.415 5.966 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.446 1.944 7.663 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.599 1.406 6.400 1.00 0.00 C ATOM 0 H PHE A 83 5.231 2.140 8.949 1.00 0.00 H new ATOM 0 HA PHE A 83 5.130 -0.081 7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.496 0.566 9.897 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.649 -1.039 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.059 -0.808 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.317 1.915 9.474 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.858 -0.009 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.117 2.718 8.006 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.388 1.759 5.753 1.00 0.00 H new ATOM 1283 N ASN A 84 3.691 -0.563 10.216 1.00 0.00 N ATOM 1284 CA ASN A 84 2.781 -1.438 10.946 1.00 0.00 C ATOM 1285 C ASN A 84 1.568 -1.795 10.093 1.00 0.00 C ATOM 1286 O ASN A 84 1.330 -2.964 9.790 1.00 0.00 O ATOM 1287 CB ASN A 84 2.327 -0.768 12.244 1.00 0.00 C ATOM 1288 CG ASN A 84 1.202 -1.526 12.923 1.00 0.00 C ATOM 1289 OD1 ASN A 84 0.835 -2.623 12.501 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.650 -0.943 13.980 1.00 0.00 N ATOM 0 H ASN A 84 3.958 0.283 10.720 1.00 0.00 H new ATOM 0 HA ASN A 84 3.316 -2.357 11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.174 -0.692 12.926 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.999 0.249 12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.111 -1.405 14.478 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.987 -0.033 14.294 1.00 0.00 H new ATOM 1297 N PHE A 85 0.803 -0.778 9.707 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.386 -0.983 8.889 1.00 0.00 C ATOM 1299 C PHE A 85 -0.078 -1.885 7.697 1.00 0.00 C ATOM 1300 O PHE A 85 -0.805 -2.840 7.422 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.932 0.360 8.400 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.829 0.241 7.200 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.168 -0.084 7.350 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.333 0.454 5.924 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -3.995 -0.194 6.248 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.156 0.346 4.819 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.488 0.022 4.981 1.00 0.00 C ATOM 0 H PHE A 85 0.986 0.196 9.948 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.141 -1.471 9.505 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.484 0.836 9.211 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.096 1.016 8.156 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.569 -0.253 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.292 0.707 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.037 -0.449 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.757 0.515 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.133 -0.063 4.119 1.00 0.00 H new ATOM 1317 N LEU A 86 1.005 -1.573 6.992 1.00 0.00 N ATOM 1318 CA LEU A 86 1.411 -2.354 5.829 1.00 0.00 C ATOM 1319 C LEU A 86 1.573 -3.827 6.191 1.00 0.00 C ATOM 1320 O LEU A 86 1.112 -4.708 5.467 1.00 0.00 O ATOM 1321 CB LEU A 86 2.721 -1.810 5.258 1.00 0.00 C ATOM 1322 CG LEU A 86 2.646 -0.433 4.598 1.00 0.00 C ATOM 1323 CD1 LEU A 86 4.039 0.070 4.252 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.771 -0.484 3.355 1.00 0.00 C ATOM 0 H LEU A 86 1.617 -0.785 7.206 1.00 0.00 H new ATOM 0 HA LEU A 86 0.629 -2.269 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.454 -1.765 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.097 -2.522 4.524 1.00 0.00 H new ATOM 0 HG LEU A 86 2.196 0.264 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.965 1.051 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.635 0.146 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.517 -0.626 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.729 0.505 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.191 -1.195 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.765 -0.799 3.631 1.00 0.00 H new ATOM 1336 N ASN A 87 2.228 -4.085 7.318 1.00 0.00 N ATOM 1337 CA ASN A 87 2.450 -5.452 7.777 1.00 0.00 C ATOM 1338 C ASN A 87 1.125 -6.147 8.074 1.00 0.00 C ATOM 1339 O ASN A 87 0.968 -7.340 7.817 1.00 0.00 O ATOM 1340 CB ASN A 87 3.332 -5.455 9.027 1.00 0.00 C ATOM 1341 CG ASN A 87 3.969 -6.807 9.281 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.483 -7.834 8.808 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.065 -6.813 10.032 1.00 0.00 N ATOM 0 H ASN A 87 2.614 -3.366 7.930 1.00 0.00 H new ATOM 0 HA ASN A 87 2.957 -5.999 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.113 -4.703 8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.733 -5.170 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.538 -7.693 10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.433 -5.937 10.404 1.00 0.00 H new ATOM 1350 N GLU A 88 0.174 -5.392 8.615 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.137 -5.936 8.947 1.00 0.00 C ATOM 1352 C GLU A 88 -1.842 -6.456 7.698 1.00 0.00 C ATOM 1353 O GLU A 88 -2.061 -7.659 7.551 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.000 -4.870 9.626 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.640 -4.633 11.083 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.762 -3.976 11.862 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.928 -4.386 11.682 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.476 -3.051 12.650 1.00 0.00 O ATOM 0 H GLU A 88 0.287 -4.402 8.833 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.992 -6.769 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.902 -3.932 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.047 -5.168 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.387 -5.585 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.750 -4.006 11.136 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.195 -5.542 6.801 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.874 -5.908 5.564 1.00 0.00 C ATOM 1367 C ILE A 89 -2.021 -6.855 4.728 1.00 0.00 C ATOM 1368 O ILE A 89 -2.541 -7.730 4.036 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.218 -4.665 4.722 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -1.965 -3.819 4.487 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.298 -3.843 5.407 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.231 -2.547 3.712 1.00 0.00 C ATOM 0 H ILE A 89 -2.022 -4.542 6.907 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.798 -6.411 5.848 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.598 -4.994 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.524 -3.562 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.229 -4.416 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.530 -2.968 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.196 -4.450 5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.944 -3.521 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.298 -1.998 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.644 -2.796 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.943 -1.929 4.260 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.706 -6.676 4.797 1.00 0.00 N ATOM 1385 CA LYS A 90 0.222 -7.516 4.050 1.00 0.00 C ATOM 1386 C LYS A 90 0.002 -8.990 4.373 1.00 0.00 C ATOM 1387 O LYS A 90 -0.306 -9.792 3.491 1.00 0.00 O ATOM 1388 CB LYS A 90 1.666 -7.123 4.366 1.00 0.00 C ATOM 1389 CG LYS A 90 2.697 -8.078 3.789 1.00 0.00 C ATOM 1390 CD LYS A 90 4.113 -7.581 4.028 1.00 0.00 C ATOM 1391 CE LYS A 90 4.621 -7.987 5.403 1.00 0.00 C ATOM 1392 NZ LYS A 90 6.100 -8.163 5.417 1.00 0.00 N ATOM 0 H LYS A 90 -0.259 -5.955 5.364 1.00 0.00 H new ATOM 0 HA LYS A 90 0.036 -7.364 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.854 -6.122 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.792 -7.076 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.575 -9.063 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.527 -8.195 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.775 -7.983 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.139 -6.495 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.338 -7.229 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.141 -8.917 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.331 -9.135 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.480 -7.985 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.523 -7.492 6.090 1.00 0.00 H new ATOM 1406 N LYS A 91 0.162 -9.343 5.644 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.021 -10.720 6.086 1.00 0.00 C ATOM 1408 C LYS A 91 -1.424 -11.217 5.752 1.00 0.00 C ATOM 1409 O LYS A 91 -1.601 -12.351 5.307 1.00 0.00 O ATOM 1410 CB LYS A 91 0.226 -10.831 7.592 1.00 0.00 C ATOM 1411 CG LYS A 91 1.686 -11.033 7.956 1.00 0.00 C ATOM 1412 CD LYS A 91 1.836 -11.803 9.258 1.00 0.00 C ATOM 1413 CE LYS A 91 3.123 -12.613 9.281 1.00 0.00 C ATOM 1414 NZ LYS A 91 4.304 -11.769 9.611 1.00 0.00 N ATOM 0 H LYS A 91 0.418 -8.693 6.387 1.00 0.00 H new ATOM 0 HA LYS A 91 0.701 -11.343 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.139 -9.927 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.357 -11.663 7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.191 -11.572 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.176 -10.064 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.828 -11.107 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.983 -12.469 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.034 -13.415 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.273 -13.084 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.161 -12.358 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.404 -11.018 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.173 -11.340 10.549 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.417 -10.361 5.968 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.804 -10.713 5.689 1.00 0.00 C ATOM 1430 C ARG A 92 -3.975 -11.136 4.233 1.00 0.00 C ATOM 1431 O ARG A 92 -4.646 -12.126 3.938 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.725 -9.532 6.000 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.164 -9.468 7.454 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.539 -8.835 7.594 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.123 -9.079 8.909 1.00 0.00 N ATOM 1436 CZ ARG A 92 -6.699 -8.492 10.023 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -5.692 -7.631 9.979 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -7.282 -8.767 11.183 1.00 0.00 N ATOM 0 H ARG A 92 -2.287 -9.418 6.335 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.075 -11.554 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.212 -8.605 5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.609 -9.594 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.181 -10.473 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.438 -8.894 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.462 -7.761 7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.201 -9.232 6.824 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.900 -9.737 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.241 -7.418 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.368 -7.181 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.057 -9.430 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.956 -8.316 12.038 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.365 -10.380 3.327 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.451 -10.675 1.902 1.00 0.00 C ATOM 1454 C PHE A 93 -2.805 -12.021 1.585 1.00 0.00 C ATOM 1455 O PHE A 93 -3.470 -12.944 1.117 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.776 -9.568 1.088 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.116 -9.607 -0.374 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.412 -9.375 -0.804 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.139 -9.877 -1.319 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.728 -9.409 -2.149 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.449 -9.912 -2.665 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.745 -9.679 -3.081 1.00 0.00 C ATOM 0 H PHE A 93 -2.805 -9.558 3.554 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.505 -10.725 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.067 -8.600 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.695 -9.650 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.185 -9.165 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.124 -10.062 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.742 -9.225 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.678 -10.122 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.989 -9.708 -4.133 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.505 -12.122 1.844 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.769 -13.353 1.585 1.00 0.00 C ATOM 1474 C GLN A 94 -1.428 -14.538 2.283 1.00 0.00 C ATOM 1475 O GLN A 94 -1.268 -15.686 1.866 1.00 0.00 O ATOM 1476 CB GLN A 94 0.681 -13.213 2.053 1.00 0.00 C ATOM 1477 CG GLN A 94 0.814 -12.844 3.521 1.00 0.00 C ATOM 1478 CD GLN A 94 2.254 -12.622 3.939 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.837 -13.437 4.655 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.837 -11.516 3.493 1.00 0.00 N ATOM 0 H GLN A 94 -0.941 -11.366 2.233 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.781 -13.535 0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.204 -14.153 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.177 -12.453 1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.239 -11.939 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.381 -13.636 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.316 -10.868 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.805 -11.314 3.741 1.00 0.00 H new ATOM 1489 N THR A 95 -2.170 -14.254 3.349 1.00 0.00 N ATOM 1490 CA THR A 95 -2.853 -15.296 4.105 1.00 0.00 C ATOM 1491 C THR A 95 -4.270 -15.512 3.588 1.00 0.00 C ATOM 1492 O THR A 95 -4.839 -16.594 3.739 1.00 0.00 O ATOM 1493 CB THR A 95 -2.913 -14.952 5.606 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.598 -14.672 6.098 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.524 -16.098 6.399 1.00 0.00 C ATOM 0 H THR A 95 -2.313 -13.310 3.708 1.00 0.00 H new ATOM 0 HA THR A 95 -2.278 -16.212 3.972 1.00 0.00 H new ATOM 0 HB THR A 95 -3.541 -14.070 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.496 -13.706 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.556 -15.833 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.536 -16.289 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.918 -16.995 6.268 1.00 0.00 H new ATOM 1503 N THR A 96 -4.836 -14.477 2.975 1.00 0.00 N ATOM 1504 CA THR A 96 -6.187 -14.555 2.434 1.00 0.00 C ATOM 1505 C THR A 96 -6.167 -14.878 0.945 1.00 0.00 C ATOM 1506 O THR A 96 -6.616 -15.944 0.525 1.00 0.00 O ATOM 1507 CB THR A 96 -6.955 -13.237 2.652 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.980 -12.908 4.045 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.379 -13.348 2.127 1.00 0.00 C ATOM 0 H THR A 96 -4.379 -13.575 2.841 1.00 0.00 H new ATOM 0 HA THR A 96 -6.696 -15.357 2.969 1.00 0.00 H new ATOM 0 HB THR A 96 -6.441 -12.448 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.243 -12.295 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.902 -12.406 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.357 -13.569 1.060 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.899 -14.149 2.653 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.642 -13.951 0.151 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.564 -14.137 -1.293 1.00 0.00 C ATOM 1519 C TYR A 97 -4.113 -14.219 -1.755 1.00 0.00 C ATOM 1520 O TYR A 97 -3.777 -13.805 -2.864 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.276 -12.991 -2.015 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.551 -12.546 -1.335 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.641 -13.401 -1.230 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.665 -11.271 -0.796 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.808 -12.999 -0.610 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.828 -10.860 -0.172 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.896 -11.727 -0.083 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.057 -11.323 0.537 1.00 0.00 O ATOM 0 H TYR A 97 -5.264 -13.064 0.483 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.058 -15.077 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.597 -12.141 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.507 -13.302 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.575 -14.398 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.831 -10.589 -0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.646 -13.676 -0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.899 -9.866 0.243 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.884 -10.510 1.057 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.254 -14.758 -0.894 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.848 -14.886 -1.230 1.00 0.00 C ATOM 1540 C GLY A 98 -1.612 -15.845 -2.380 1.00 0.00 C ATOM 1541 O GLY A 98 -1.166 -15.440 -3.453 1.00 0.00 O ATOM 0 H GLY A 98 -3.507 -15.108 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.449 -13.906 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.298 -15.231 -0.354 1.00 0.00 H new ATOM 1545 N SER A 99 -1.910 -17.121 -2.155 1.00 0.00 N ATOM 1546 CA SER A 99 -1.723 -18.141 -3.180 1.00 0.00 C ATOM 1547 C SER A 99 -2.243 -17.658 -4.530 1.00 0.00 C ATOM 1548 O SER A 99 -1.489 -17.553 -5.497 1.00 0.00 O ATOM 1549 CB SER A 99 -2.436 -19.434 -2.779 1.00 0.00 C ATOM 1550 OG SER A 99 -2.038 -19.856 -1.486 1.00 0.00 O ATOM 0 H SER A 99 -2.282 -17.473 -1.273 1.00 0.00 H new ATOM 0 HA SER A 99 -0.655 -18.337 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.515 -19.279 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.213 -20.216 -3.505 1.00 0.00 H new ATOM 0 HG SER A 99 -2.509 -20.683 -1.252 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.538 -17.365 -4.587 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.161 -16.894 -5.818 1.00 0.00 C ATOM 1558 C ARG A 100 -3.346 -15.765 -6.443 1.00 0.00 C ATOM 1559 O ARG A 100 -3.236 -15.668 -7.665 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.587 -16.414 -5.542 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.604 -17.541 -5.461 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.887 -17.086 -4.783 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.914 -18.125 -4.802 1.00 0.00 N ATOM 1564 CZ ARG A 100 -10.194 -17.898 -4.529 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.602 -16.675 -4.218 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -11.068 -18.895 -4.566 1.00 0.00 N ATOM 0 H ARG A 100 -4.176 -17.445 -3.795 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.194 -17.727 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.599 -15.857 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.887 -15.721 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.830 -17.902 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.177 -18.379 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.673 -16.807 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.264 -16.194 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.633 -19.077 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.932 -15.906 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.585 -16.503 -4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.757 -19.837 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.051 -18.720 -4.356 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.777 -14.914 -5.596 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.970 -13.794 -6.064 1.00 0.00 C ATOM 1582 C ALA A 101 -0.916 -14.256 -7.064 1.00 0.00 C ATOM 1583 O ALA A 101 -0.556 -13.522 -7.983 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.312 -13.089 -4.887 1.00 0.00 C ATOM 0 H ALA A 101 -2.860 -14.979 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.630 -13.090 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.713 -12.255 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.081 -12.715 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.671 -13.791 -4.355 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.425 -15.478 -6.877 1.00 0.00 N ATOM 1591 CA GLN A 102 0.589 -16.036 -7.763 1.00 0.00 C ATOM 1592 C GLN A 102 -0.052 -16.674 -8.991 1.00 0.00 C ATOM 1593 O GLN A 102 0.557 -16.741 -10.059 1.00 0.00 O ATOM 1594 CB GLN A 102 1.433 -17.072 -7.018 1.00 0.00 C ATOM 1595 CG GLN A 102 2.268 -16.481 -5.893 1.00 0.00 C ATOM 1596 CD GLN A 102 3.200 -15.385 -6.372 1.00 0.00 C ATOM 1597 OE1 GLN A 102 4.348 -15.645 -6.732 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.709 -14.151 -6.379 1.00 0.00 N ATOM 0 H GLN A 102 -0.713 -16.099 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 102 1.234 -15.222 -8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.775 -17.837 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.094 -17.568 -7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.606 -16.080 -5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.854 -17.273 -5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.751 -13.981 -6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.290 -13.373 -6.692 1.00 0.00 H new ATOM 1607 N THR A 103 -1.286 -17.144 -8.832 1.00 0.00 N ATOM 1608 CA THR A 103 -2.010 -17.778 -9.927 1.00 0.00 C ATOM 1609 C THR A 103 -3.342 -17.082 -10.182 1.00 0.00 C ATOM 1610 O THR A 103 -4.361 -17.734 -10.406 1.00 0.00 O ATOM 1611 CB THR A 103 -2.269 -19.269 -9.639 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.111 -19.407 -8.489 1.00 0.00 O ATOM 1613 CG2 THR A 103 -0.961 -20.011 -9.409 1.00 0.00 C ATOM 0 H THR A 103 -1.805 -17.097 -7.955 1.00 0.00 H new ATOM 0 HA THR A 103 -1.383 -17.690 -10.814 1.00 0.00 H new ATOM 0 HB THR A 103 -2.766 -19.703 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.272 -20.358 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.169 -21.062 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.335 -19.929 -10.298 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.440 -19.575 -8.557 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.326 -15.753 -10.146 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.533 -14.969 -10.376 1.00 0.00 C ATOM 1623 C ALA A 104 -4.249 -13.780 -11.288 1.00 0.00 C ATOM 1624 O ALA A 104 -3.192 -13.153 -11.220 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.114 -14.494 -9.053 1.00 0.00 C ATOM 0 H ALA A 104 -2.491 -15.198 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.263 -15.609 -10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.015 -13.910 -9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.363 -15.356 -8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.381 -13.875 -8.535 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.214 -13.462 -12.164 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.090 -12.346 -13.107 1.00 0.00 C ATOM 1633 C PRO A 105 -5.139 -10.990 -12.410 1.00 0.00 C ATOM 1634 O PRO A 105 -5.458 -10.885 -11.226 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.304 -12.520 -14.024 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.298 -13.261 -13.199 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.500 -14.166 -12.301 1.00 0.00 C ATOM 0 HA PRO A 105 -4.135 -12.361 -13.633 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.697 -11.556 -14.347 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.044 -13.076 -14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.910 -12.574 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.977 -13.836 -13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.987 -14.305 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.372 -15.156 -12.739 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.817 -9.926 -13.161 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.818 -8.558 -12.636 1.00 0.00 C ATOM 1647 C PRO A 106 -6.226 -8.049 -12.346 1.00 0.00 C ATOM 1648 O PRO A 106 -7.153 -8.283 -13.121 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.177 -7.745 -13.764 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.446 -8.534 -14.999 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.427 -9.978 -14.580 1.00 0.00 C ATOM 0 HA PRO A 106 -4.289 -8.486 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.611 -6.747 -13.829 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.107 -7.617 -13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.410 -8.266 -15.431 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.690 -8.338 -15.760 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.124 -10.576 -15.167 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.440 -10.421 -14.710 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.379 -7.353 -11.225 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.674 -6.812 -10.832 1.00 0.00 C ATOM 1661 C TYR A 107 -8.689 -7.932 -10.619 1.00 0.00 C ATOM 1662 O TYR A 107 -9.859 -7.801 -10.980 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.188 -5.838 -11.893 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.537 -4.475 -11.828 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.332 -4.227 -12.475 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -8.125 -3.434 -11.120 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.733 -2.983 -12.419 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -7.534 -2.187 -11.059 1.00 0.00 C ATOM 1669 CZ TYR A 107 -6.339 -1.967 -11.710 1.00 0.00 C ATOM 1670 OH TYR A 107 -5.746 -0.726 -11.650 1.00 0.00 O ATOM 0 H TYR A 107 -5.622 -7.150 -10.572 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.545 -6.277 -9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.018 -6.266 -12.881 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.266 -5.723 -11.777 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.855 -5.021 -13.031 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.061 -3.603 -10.608 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.796 -2.807 -12.927 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -8.005 -1.389 -10.505 1.00 0.00 H new ATOM 0 HH TYR A 107 -6.404 -0.038 -11.882 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.233 -9.032 -10.030 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.100 -10.173 -9.767 1.00 0.00 C ATOM 1682 C ALA A 108 -9.712 -10.088 -8.373 1.00 0.00 C ATOM 1683 O ALA A 108 -10.925 -10.215 -8.208 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.325 -11.473 -9.926 1.00 0.00 C ATOM 0 H ALA A 108 -7.267 -9.157 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.912 -10.155 -10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.985 -12.317 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.941 -11.545 -10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.493 -11.489 -9.222 1.00 0.00 H new ATOM 1690 N MET A 109 -8.864 -9.872 -7.372 1.00 0.00 N ATOM 1691 CA MET A 109 -9.323 -9.769 -5.991 1.00 0.00 C ATOM 1692 C MET A 109 -9.254 -8.326 -5.502 1.00 0.00 C ATOM 1693 O MET A 109 -8.889 -8.067 -4.356 1.00 0.00 O ATOM 1694 CB MET A 109 -8.482 -10.669 -5.084 1.00 0.00 C ATOM 1695 CG MET A 109 -8.805 -12.147 -5.226 1.00 0.00 C ATOM 1696 SD MET A 109 -7.836 -12.948 -6.518 1.00 0.00 S ATOM 1697 CE MET A 109 -6.197 -12.894 -5.796 1.00 0.00 C ATOM 0 H MET A 109 -7.857 -9.765 -7.491 1.00 0.00 H new ATOM 0 HA MET A 109 -10.362 -10.097 -5.953 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.427 -10.513 -5.309 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.635 -10.370 -4.047 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.621 -12.648 -4.276 1.00 0.00 H new ATOM 0 HG3 MET A 109 -9.866 -12.264 -5.448 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.449 -12.906 -6.589 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.088 -11.982 -5.209 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.055 -13.761 -5.150 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.607 -7.391 -6.378 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.584 -5.974 -6.034 1.00 0.00 C ATOM 1709 C ASN A 110 -10.798 -5.599 -5.190 1.00 0.00 C ATOM 1710 O ASN A 110 -10.675 -4.906 -4.180 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.548 -5.121 -7.303 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.012 -3.698 -7.057 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -9.269 -2.876 -6.519 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -11.245 -3.401 -7.449 1.00 0.00 N ATOM 0 H ASN A 110 -9.912 -7.589 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.684 -5.782 -5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.532 -5.106 -7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.180 -5.580 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.612 -2.460 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.825 -4.114 -7.891 1.00 0.00 H new ATOM 1721 N SER A 111 -11.971 -6.063 -5.611 1.00 0.00 N ATOM 1722 CA SER A 111 -13.208 -5.774 -4.895 1.00 0.00 C ATOM 1723 C SER A 111 -13.105 -6.204 -3.435 1.00 0.00 C ATOM 1724 O SER A 111 -13.278 -5.394 -2.525 1.00 0.00 O ATOM 1725 CB SER A 111 -14.386 -6.483 -5.565 1.00 0.00 C ATOM 1726 OG SER A 111 -15.530 -6.474 -4.728 1.00 0.00 O ATOM 0 H SER A 111 -12.090 -6.640 -6.444 1.00 0.00 H new ATOM 0 HA SER A 111 -13.374 -4.697 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.619 -5.993 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.110 -7.511 -5.798 1.00 0.00 H new ATOM 0 HG SER A 111 -16.269 -6.932 -5.180 1.00 0.00 H new ATOM 1732 N GLU A 112 -12.821 -7.485 -3.221 1.00 0.00 N ATOM 1733 CA GLU A 112 -12.695 -8.023 -1.871 1.00 0.00 C ATOM 1734 C GLU A 112 -11.695 -7.212 -1.053 1.00 0.00 C ATOM 1735 O GLU A 112 -12.014 -6.723 0.031 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.259 -9.489 -1.921 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.420 -10.468 -1.979 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.135 -10.447 -3.316 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -13.588 -11.009 -4.289 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.240 -9.871 -3.390 1.00 0.00 O ATOM 0 H GLU A 112 -12.674 -8.169 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.670 -7.957 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.623 -9.641 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.653 -9.709 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.051 -11.475 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.131 -10.230 -1.187 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.482 -7.074 -1.579 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.434 -6.323 -0.898 1.00 0.00 C ATOM 1749 C PHE A 113 -9.835 -4.861 -0.728 1.00 0.00 C ATOM 1750 O PHE A 113 -9.427 -4.201 0.228 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.121 -6.417 -1.678 1.00 0.00 C ATOM 1752 CG PHE A 113 -6.900 -6.368 -0.805 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -6.817 -7.150 0.337 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -5.835 -5.542 -1.125 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.695 -7.108 1.142 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -4.710 -5.496 -0.323 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.640 -6.279 0.812 1.00 0.00 C ATOM 0 H PHE A 113 -10.201 -7.473 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.293 -6.759 0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.113 -7.346 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.076 -5.600 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.639 -7.799 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.884 -4.927 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.643 -7.723 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.886 -4.848 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.762 -6.244 1.441 1.00 0.00 H new ATOM 1767 N SER A 114 -10.636 -4.360 -1.663 1.00 0.00 N ATOM 1768 CA SER A 114 -11.089 -2.975 -1.621 1.00 0.00 C ATOM 1769 C SER A 114 -11.891 -2.704 -0.351 1.00 0.00 C ATOM 1770 O SER A 114 -11.691 -1.691 0.319 1.00 0.00 O ATOM 1771 CB SER A 114 -11.938 -2.656 -2.852 1.00 0.00 C ATOM 1772 OG SER A 114 -12.325 -1.292 -2.866 1.00 0.00 O ATOM 0 H SER A 114 -10.985 -4.893 -2.459 1.00 0.00 H new ATOM 0 HA SER A 114 -10.210 -2.331 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.374 -2.887 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.825 -3.289 -2.860 1.00 0.00 H new ATOM 0 HG SER A 114 -12.865 -1.113 -3.664 1.00 0.00 H new ATOM 1778 N SER A 115 -12.800 -3.619 -0.028 1.00 0.00 N ATOM 1779 CA SER A 115 -13.636 -3.478 1.159 1.00 0.00 C ATOM 1780 C SER A 115 -12.808 -3.640 2.430 1.00 0.00 C ATOM 1781 O SER A 115 -12.921 -2.846 3.364 1.00 0.00 O ATOM 1782 CB SER A 115 -14.765 -4.511 1.138 1.00 0.00 C ATOM 1783 OG SER A 115 -14.249 -5.831 1.136 1.00 0.00 O ATOM 0 H SER A 115 -12.976 -4.465 -0.571 1.00 0.00 H new ATOM 0 HA SER A 115 -14.067 -2.477 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.408 -4.370 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.385 -4.358 0.255 1.00 0.00 H new ATOM 0 HG SER A 115 -13.427 -5.860 0.603 1.00 0.00 H new ATOM 1789 N VAL A 116 -11.973 -4.674 2.457 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.124 -4.941 3.612 1.00 0.00 C ATOM 1791 C VAL A 116 -10.182 -3.773 3.882 1.00 0.00 C ATOM 1792 O VAL A 116 -10.123 -3.254 4.998 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.292 -6.222 3.413 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.311 -6.405 4.561 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.203 -7.433 3.281 1.00 0.00 C ATOM 0 H VAL A 116 -11.866 -5.340 1.692 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.786 -5.076 4.467 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.720 -6.124 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.732 -7.315 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.637 -5.549 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.860 -6.482 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.599 -8.329 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.803 -7.537 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.861 -7.301 2.422 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.446 -3.363 2.855 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.506 -2.255 2.980 1.00 0.00 C ATOM 1807 C LEU A 117 -9.213 -0.993 3.464 1.00 0.00 C ATOM 1808 O LEU A 117 -8.746 -0.322 4.384 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.821 -1.987 1.639 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.714 -2.966 1.243 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.374 -2.819 -0.232 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.477 -2.747 2.102 1.00 0.00 C ATOM 0 H LEU A 117 -9.482 -3.782 1.926 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.752 -2.532 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.581 -1.994 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.398 -0.983 1.664 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.075 -3.981 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.585 -3.523 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.260 -3.026 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.033 -1.802 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.700 -3.452 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.114 -1.728 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.730 -2.904 3.151 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.343 -0.678 2.839 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.116 0.501 3.209 1.00 0.00 C ATOM 1826 C ALA A 118 -11.362 0.547 4.713 1.00 0.00 C ATOM 1827 O ALA A 118 -11.090 1.555 5.365 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.438 0.522 2.456 1.00 0.00 C ATOM 0 H ALA A 118 -10.743 -1.222 2.075 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.539 1.384 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.005 1.408 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.245 0.545 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.012 -0.371 2.703 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.878 -0.550 5.258 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.158 -0.634 6.686 1.00 0.00 C ATOM 1836 C ALA A 119 -10.898 -0.388 7.508 1.00 0.00 C ATOM 1837 O ALA A 119 -10.942 0.278 8.542 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.757 -1.991 7.026 1.00 0.00 C ATOM 0 H ALA A 119 -12.110 -1.393 4.732 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.880 0.143 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.961 -2.041 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.686 -2.128 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.053 -2.778 6.754 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.778 -0.930 7.043 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.506 -0.770 7.738 1.00 0.00 C ATOM 1846 C GLN A 120 -8.070 0.692 7.744 1.00 0.00 C ATOM 1847 O GLN A 120 -7.659 1.224 8.776 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.428 -1.633 7.079 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.729 -3.122 7.127 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.724 -3.673 8.540 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -7.380 -2.971 9.491 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.106 -4.937 8.684 1.00 0.00 N ATOM 0 H GLN A 120 -9.725 -1.484 6.188 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.641 -1.095 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.314 -1.327 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.474 -1.447 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.702 -3.307 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.991 -3.657 6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.383 -5.482 7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.122 -5.362 9.611 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.161 1.336 6.586 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.776 2.737 6.457 1.00 0.00 C ATOM 1863 C LEU A 121 -8.528 3.604 7.462 1.00 0.00 C ATOM 1864 O LEU A 121 -7.921 4.296 8.279 1.00 0.00 O ATOM 1865 CB LEU A 121 -8.047 3.233 5.036 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.916 3.028 4.026 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.467 2.983 2.610 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.875 4.129 4.161 1.00 0.00 C ATOM 0 H LEU A 121 -8.498 0.910 5.723 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.709 2.814 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.938 2.730 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.278 4.297 5.082 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.435 2.073 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.648 2.837 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -8.174 2.158 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.974 3.922 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -5.078 3.967 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.343 5.096 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.457 4.113 5.168 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.855 3.559 7.397 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.692 4.337 8.303 1.00 0.00 C ATOM 1882 C LYS A 122 -10.359 4.021 9.757 1.00 0.00 C ATOM 1883 O LYS A 122 -10.024 4.914 10.536 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.171 4.052 8.033 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.085 5.221 8.358 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.527 4.773 8.527 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.396 5.888 9.088 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.238 6.026 10.562 1.00 0.00 N ATOM 0 H LYS A 122 -10.374 2.992 6.726 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.493 5.394 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.295 3.785 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.479 3.187 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.745 5.706 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.025 5.963 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.924 4.451 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.565 3.911 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.135 6.830 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.441 5.688 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -15.847 6.796 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.511 5.136 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.246 6.243 10.786 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.452 2.745 10.117 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.159 2.311 11.479 1.00 0.00 C ATOM 1904 C HIS A 123 -8.796 2.827 11.931 1.00 0.00 C ATOM 1905 O HIS A 123 -8.700 3.612 12.875 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.195 0.785 11.570 1.00 0.00 C ATOM 1907 CG HIS A 123 -11.577 0.227 11.720 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -12.502 0.736 12.606 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -12.189 -0.802 11.088 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -13.623 0.043 12.515 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -13.460 -0.895 11.600 1.00 0.00 N ATOM 0 H HIS A 123 -10.728 1.993 9.485 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.922 2.724 12.138 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.737 0.365 10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.589 0.465 12.418 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.758 -1.432 10.324 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.520 0.214 13.091 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.164 -1.578 11.319 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.744 2.380 11.253 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.386 2.797 11.586 1.00 0.00 C ATOM 1922 C HIS A 124 -6.303 4.314 11.726 1.00 0.00 C ATOM 1923 O HIS A 124 -5.980 4.831 12.795 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.406 2.317 10.515 1.00 0.00 C ATOM 1925 CG HIS A 124 -5.094 0.855 10.601 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -5.897 -0.230 10.500 1.00 0.00 N flip ATOM 1927 CD2 HIS A 124 -3.822 0.368 10.818 1.00 0.00 C flip ATOM 1928 CE1 HIS A 124 -5.104 -1.340 10.655 1.00 0.00 C flip ATOM 1929 NE2 HIS A 124 -3.856 -0.952 10.845 1.00 0.00 N flip ATOM 0 H HIS A 124 -7.805 1.729 10.470 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.117 2.347 12.541 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.821 2.534 9.531 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.479 2.884 10.602 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -6.904 -0.224 10.339 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.936 0.972 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.445 -2.364 10.626 1.00 0.00 H new