USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 901 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 22 LYS NZ :NH3+ -155:sc= 1.31 (180deg=-0.175) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.726 K(o=0.58,f=-9.7!) USER MOD Set 2.1: A 85 LYS NZ :NH3+ -132:sc= 0.585 (180deg=0) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.522 USER MOD Set 3.1: A 79 CYS SG : rot -150:sc= -1.54 USER MOD Set 3.2: A 83 ASN : amide:sc= 0.0427 X(o=-1.5,f=-1.9) USER MOD Set 4.1: A 56 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Set 4.2: A 62 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 20 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.0019) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 14 LYS NZ :NH3+ 180:sc=-0.00608 (180deg=0) USER MOD Set 6.2: A 106 GLN : amide:sc= -2.63! C(o=-2.8!,f=-5.4!) USER MOD Set 6.3: A 110 GLN : amide:sc= -0.168 X(o=-2.8,f=-2.7) USER MOD Single : A 6 SER OG : rot -27:sc= 0.246 USER MOD Single : A 15 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 18 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -5.48! C(o=-5.5!,f=-6.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.818 X(o=-0.82,f=-0.54) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 143:sc= -0.305 (180deg=-1.04) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -118:sc= -4.75! (180deg=-12.9!) USER MOD Single : A 54 LYS NZ :NH3+ 141:sc= 0.309 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.28) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.55 K(o=-2.6,f=-6.7!) USER MOD Single : A 73 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.98) USER MOD Single : A 77 SER OG : rot 180:sc= -0.929 USER MOD Single : A 78 ASN : amide:sc= -1 K(o=-1,f=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -0.0113 (180deg=-0.763) USER MOD Single : A 82 TYR OH : rot 18:sc= -0.217 USER MOD Single : A 87 THR OG1 : rot -60:sc= -0.712 USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0488) USER MOD Single : A 114 MET CE :methyl 178:sc= -2.09 (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.918 20.338 2.171 1.00 0.00 N ATOM 49 CA SER A 6 -0.613 19.527 3.344 1.00 0.00 C ATOM 50 C SER A 6 -1.723 18.516 3.610 1.00 0.00 C ATOM 51 O SER A 6 -1.481 17.310 3.661 1.00 0.00 O ATOM 52 CB SER A 6 -0.416 20.420 4.570 1.00 0.00 C ATOM 53 OG SER A 6 -1.442 21.393 4.663 1.00 0.00 O ATOM 0 HA SER A 6 0.310 18.982 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.408 19.808 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.554 20.914 4.512 1.00 0.00 H new ATOM 0 HG SER A 6 -1.794 21.584 3.768 1.00 0.00 H new ATOM 59 N GLY A 7 -2.943 19.017 3.779 1.00 0.00 N ATOM 60 CA GLY A 7 -4.073 18.144 4.038 1.00 0.00 C ATOM 61 C GLY A 7 -3.958 16.817 3.317 1.00 0.00 C ATOM 62 O GLY A 7 -4.228 15.763 3.893 1.00 0.00 O ATOM 0 H GLY A 7 -3.169 20.011 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.152 17.966 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.992 18.643 3.730 1.00 0.00 H new ATOM 66 N PHE A 8 -3.558 16.866 2.050 1.00 0.00 N ATOM 67 CA PHE A 8 -3.411 15.657 1.247 1.00 0.00 C ATOM 68 C PHE A 8 -2.423 14.692 1.895 1.00 0.00 C ATOM 69 O PHE A 8 -2.675 13.488 1.973 1.00 0.00 O ATOM 70 CB PHE A 8 -2.945 16.013 -0.165 1.00 0.00 C ATOM 71 CG PHE A 8 -2.742 14.814 -1.048 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.827 14.116 -1.552 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.464 14.387 -1.376 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.642 13.013 -2.363 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.275 13.285 -2.188 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.365 12.597 -2.683 1.00 0.00 C ATOM 0 H PHE A 8 -3.330 17.730 1.558 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.383 15.167 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.679 16.674 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.010 16.570 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.829 14.438 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.607 14.921 -0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.497 12.476 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.275 12.962 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.219 11.736 -3.319 1.00 0.00 H new ATOM 86 N LEU A 9 -1.298 15.227 2.354 1.00 0.00 N ATOM 87 CA LEU A 9 -0.269 14.414 2.994 1.00 0.00 C ATOM 88 C LEU A 9 -0.824 13.704 4.225 1.00 0.00 C ATOM 89 O LEU A 9 -0.526 12.534 4.466 1.00 0.00 O ATOM 90 CB LEU A 9 0.925 15.284 3.388 1.00 0.00 C ATOM 91 CG LEU A 9 1.553 16.110 2.265 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.701 16.953 2.801 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.034 15.204 1.142 1.00 0.00 C ATOM 0 H LEU A 9 -1.074 16.220 2.295 1.00 0.00 H new ATOM 0 HA LEU A 9 0.060 13.660 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.608 15.964 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.695 14.639 3.812 1.00 0.00 H new ATOM 0 HG LEU A 9 0.793 16.780 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.136 17.534 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.328 17.629 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.463 16.301 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.478 15.809 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.779 14.509 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.190 14.644 0.740 1.00 0.00 H new ATOM 105 N ILE A 10 -1.634 14.419 4.998 1.00 0.00 N ATOM 106 CA ILE A 10 -2.233 13.856 6.202 1.00 0.00 C ATOM 107 C ILE A 10 -3.258 12.781 5.855 1.00 0.00 C ATOM 108 O ILE A 10 -3.295 11.718 6.478 1.00 0.00 O ATOM 109 CB ILE A 10 -2.915 14.943 7.053 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.871 15.910 7.617 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.719 14.309 8.178 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.541 17.053 6.684 1.00 0.00 C ATOM 0 H ILE A 10 -1.891 15.389 4.812 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.422 13.410 6.778 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.598 15.506 6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.235 16.316 8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.958 15.357 7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.195 15.091 8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.484 13.657 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.055 13.724 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.795 17.698 7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.146 16.657 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.444 17.630 6.482 1.00 0.00 H new ATOM 124 N LEU A 11 -4.087 13.062 4.857 1.00 0.00 N ATOM 125 CA LEU A 11 -5.113 12.119 4.425 1.00 0.00 C ATOM 126 C LEU A 11 -4.504 10.752 4.127 1.00 0.00 C ATOM 127 O LEU A 11 -5.085 9.716 4.456 1.00 0.00 O ATOM 128 CB LEU A 11 -5.832 12.650 3.184 1.00 0.00 C ATOM 129 CG LEU A 11 -6.622 11.621 2.373 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.932 11.285 3.071 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.882 12.136 0.966 1.00 0.00 C ATOM 0 H LEU A 11 -4.069 13.936 4.331 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.834 12.008 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.516 13.440 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.092 13.109 2.528 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.028 10.710 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.481 10.552 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.723 10.873 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.531 12.190 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.445 11.391 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.456 13.061 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.932 12.326 0.467 1.00 0.00 H new ATOM 143 N LEU A 12 -3.330 10.755 3.506 1.00 0.00 N ATOM 144 CA LEU A 12 -2.640 9.515 3.166 1.00 0.00 C ATOM 145 C LEU A 12 -2.136 8.811 4.422 1.00 0.00 C ATOM 146 O LEU A 12 -2.412 7.630 4.637 1.00 0.00 O ATOM 147 CB LEU A 12 -1.470 9.801 2.223 1.00 0.00 C ATOM 148 CG LEU A 12 -1.812 10.558 0.940 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.544 10.977 0.213 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.689 9.704 0.035 1.00 0.00 C ATOM 0 H LEU A 12 -2.835 11.602 3.227 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.350 8.858 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.720 10.373 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.010 8.852 1.949 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.367 11.457 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.808 11.515 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.048 11.626 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.038 10.092 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.923 10.259 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.159 8.788 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.614 9.454 0.555 1.00 0.00 H new ATOM 162 N ARG A 13 -1.399 9.544 5.250 1.00 0.00 N ATOM 163 CA ARG A 13 -0.857 8.990 6.484 1.00 0.00 C ATOM 164 C ARG A 13 -1.935 8.239 7.262 1.00 0.00 C ATOM 165 O ARG A 13 -1.699 7.142 7.768 1.00 0.00 O ATOM 166 CB ARG A 13 -0.269 10.103 7.353 1.00 0.00 C ATOM 167 CG ARG A 13 0.977 10.742 6.763 1.00 0.00 C ATOM 168 CD ARG A 13 1.289 12.073 7.429 1.00 0.00 C ATOM 169 NE ARG A 13 2.210 12.880 6.632 1.00 0.00 N ATOM 170 CZ ARG A 13 2.685 14.057 7.026 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.330 14.560 8.200 1.00 0.00 N ATOM 172 NH2 ARG A 13 3.518 14.732 6.245 1.00 0.00 N ATOM 0 H ARG A 13 -1.164 10.523 5.088 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.066 8.288 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.026 10.873 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.028 9.697 8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.825 10.067 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.838 10.893 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.363 12.627 7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.722 11.894 8.413 1.00 0.00 H new ATOM 0 HE ARG A 13 2.504 12.521 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.691 14.043 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.696 15.464 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.794 14.348 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.882 15.635 6.548 1.00 0.00 H new ATOM 186 N LYS A 14 -3.117 8.838 7.354 1.00 0.00 N ATOM 187 CA LYS A 14 -4.232 8.227 8.068 1.00 0.00 C ATOM 188 C LYS A 14 -4.780 7.029 7.300 1.00 0.00 C ATOM 189 O LYS A 14 -5.072 5.984 7.883 1.00 0.00 O ATOM 190 CB LYS A 14 -5.344 9.255 8.293 1.00 0.00 C ATOM 191 CG LYS A 14 -6.665 8.637 8.720 1.00 0.00 C ATOM 192 CD LYS A 14 -7.535 8.298 7.521 1.00 0.00 C ATOM 193 CE LYS A 14 -8.260 9.528 6.994 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.203 9.186 5.893 1.00 0.00 N ATOM 0 H LYS A 14 -3.328 9.747 6.943 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.866 7.879 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.022 9.966 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.497 9.820 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.475 7.734 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.197 9.329 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.917 7.872 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.263 7.537 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.808 10.003 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.530 10.254 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.677 10.050 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.676 8.756 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.915 8.513 6.242 1.00 0.00 H new ATOM 208 N THR A 15 -4.915 7.186 5.986 1.00 0.00 N ATOM 209 CA THR A 15 -5.427 6.117 5.138 1.00 0.00 C ATOM 210 C THR A 15 -4.570 4.862 5.256 1.00 0.00 C ATOM 211 O THR A 15 -5.085 3.764 5.467 1.00 0.00 O ATOM 212 CB THR A 15 -5.481 6.550 3.661 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.429 7.610 3.495 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.863 5.379 2.768 1.00 0.00 C ATOM 0 H THR A 15 -4.677 8.043 5.487 1.00 0.00 H new ATOM 0 HA THR A 15 -6.437 5.897 5.483 1.00 0.00 H new ATOM 0 HB THR A 15 -4.490 6.900 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.978 8.473 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.895 5.709 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.124 4.584 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.844 5.004 3.060 1.00 0.00 H new ATOM 222 N LEU A 16 -3.259 5.032 5.122 1.00 0.00 N ATOM 223 CA LEU A 16 -2.329 3.912 5.215 1.00 0.00 C ATOM 224 C LEU A 16 -2.590 3.091 6.474 1.00 0.00 C ATOM 225 O LEU A 16 -2.651 1.863 6.423 1.00 0.00 O ATOM 226 CB LEU A 16 -0.887 4.420 5.214 1.00 0.00 C ATOM 227 CG LEU A 16 0.182 3.410 5.637 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.354 2.339 4.572 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.504 4.114 5.908 1.00 0.00 C ATOM 0 H LEU A 16 -2.816 5.934 4.949 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.483 3.271 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.648 4.773 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.826 5.282 5.878 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.145 2.928 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.118 1.629 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.591 1.815 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.658 2.804 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.252 3.380 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.837 4.623 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.371 4.843 6.707 1.00 0.00 H new ATOM 241 N GLU A 17 -2.746 3.778 7.601 1.00 0.00 N ATOM 242 CA GLU A 17 -3.002 3.112 8.873 1.00 0.00 C ATOM 243 C GLU A 17 -4.210 2.185 8.767 1.00 0.00 C ATOM 244 O GLU A 17 -4.136 1.009 9.124 1.00 0.00 O ATOM 245 CB GLU A 17 -3.232 4.144 9.978 1.00 0.00 C ATOM 246 CG GLU A 17 -2.016 5.009 10.265 1.00 0.00 C ATOM 247 CD GLU A 17 -2.307 6.108 11.268 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.455 6.599 11.295 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.386 6.479 12.025 1.00 0.00 O ATOM 0 H GLU A 17 -2.700 4.795 7.659 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.126 2.513 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.066 4.786 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.523 3.627 10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.209 4.381 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.664 5.455 9.335 1.00 0.00 H new ATOM 256 N GLN A 18 -5.320 2.724 8.275 1.00 0.00 N ATOM 257 CA GLN A 18 -6.545 1.947 8.124 1.00 0.00 C ATOM 258 C GLN A 18 -6.253 0.588 7.496 1.00 0.00 C ATOM 259 O GLN A 18 -6.707 -0.445 7.988 1.00 0.00 O ATOM 260 CB GLN A 18 -7.557 2.711 7.269 1.00 0.00 C ATOM 261 CG GLN A 18 -8.106 3.957 7.944 1.00 0.00 C ATOM 262 CD GLN A 18 -9.417 4.420 7.338 1.00 0.00 C ATOM 263 OE1 GLN A 18 -9.832 3.934 6.285 1.00 0.00 O ATOM 264 NE2 GLN A 18 -10.075 5.365 7.999 1.00 0.00 N ATOM 0 H GLN A 18 -5.397 3.696 7.974 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.968 1.785 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.084 2.996 6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.385 2.047 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.252 3.756 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.372 4.759 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.694 5.739 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.962 5.717 7.638 1.00 0.00 H new ATOM 273 N LEU A 19 -5.493 0.597 6.407 1.00 0.00 N ATOM 274 CA LEU A 19 -5.140 -0.635 5.710 1.00 0.00 C ATOM 275 C LEU A 19 -4.426 -1.605 6.646 1.00 0.00 C ATOM 276 O LEU A 19 -4.748 -2.792 6.689 1.00 0.00 O ATOM 277 CB LEU A 19 -4.252 -0.325 4.503 1.00 0.00 C ATOM 278 CG LEU A 19 -4.794 0.711 3.519 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.680 1.230 2.623 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.918 0.115 2.685 1.00 0.00 C ATOM 0 H LEU A 19 -5.109 1.444 5.987 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.061 -1.105 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.285 0.021 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.074 -1.253 3.960 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.195 1.550 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.085 1.967 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.907 1.695 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.249 0.401 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.293 0.866 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.541 -0.742 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.727 -0.207 3.341 1.00 0.00 H new ATOM 292 N GLN A 20 -3.456 -1.090 7.396 1.00 0.00 N ATOM 293 CA GLN A 20 -2.698 -1.911 8.332 1.00 0.00 C ATOM 294 C GLN A 20 -3.633 -2.702 9.242 1.00 0.00 C ATOM 295 O GLN A 20 -3.415 -3.888 9.489 1.00 0.00 O ATOM 296 CB GLN A 20 -1.769 -1.035 9.175 1.00 0.00 C ATOM 297 CG GLN A 20 -0.753 -0.258 8.351 1.00 0.00 C ATOM 298 CD GLN A 20 0.513 0.048 9.125 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.877 1.211 9.306 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.194 -0.995 9.586 1.00 0.00 N ATOM 0 H GLN A 20 -3.177 -0.109 7.373 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.098 -2.615 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.370 -0.332 9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.240 -1.664 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.500 -0.831 7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.203 0.676 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.856 -1.942 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.055 -0.849 10.113 1.00 0.00 H new ATOM 309 N GLU A 21 -4.672 -2.037 9.738 1.00 0.00 N ATOM 310 CA GLU A 21 -5.637 -2.680 10.621 1.00 0.00 C ATOM 311 C GLU A 21 -6.108 -4.010 10.038 1.00 0.00 C ATOM 312 O GLU A 21 -6.211 -5.010 10.748 1.00 0.00 O ATOM 313 CB GLU A 21 -6.838 -1.760 10.856 1.00 0.00 C ATOM 314 CG GLU A 21 -6.517 -0.549 11.715 1.00 0.00 C ATOM 315 CD GLU A 21 -7.740 0.298 12.009 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.865 -0.242 11.948 1.00 0.00 O ATOM 317 OE2 GLU A 21 -7.572 1.500 12.299 1.00 0.00 O ATOM 0 H GLU A 21 -4.866 -1.055 9.543 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.145 -2.875 11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.219 -1.421 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.635 -2.331 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.075 -0.881 12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.769 0.062 11.210 1.00 0.00 H new ATOM 324 N LYS A 22 -6.393 -4.012 8.740 1.00 0.00 N ATOM 325 CA LYS A 22 -6.852 -5.217 8.059 1.00 0.00 C ATOM 326 C LYS A 22 -5.834 -6.344 8.203 1.00 0.00 C ATOM 327 O LYS A 22 -6.201 -7.500 8.415 1.00 0.00 O ATOM 328 CB LYS A 22 -7.102 -4.926 6.578 1.00 0.00 C ATOM 329 CG LYS A 22 -8.110 -3.816 6.336 1.00 0.00 C ATOM 330 CD LYS A 22 -9.396 -4.053 7.112 1.00 0.00 C ATOM 331 CE LYS A 22 -10.500 -3.111 6.659 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.851 -3.706 6.853 1.00 0.00 N ATOM 0 H LYS A 22 -6.314 -3.192 8.138 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.786 -5.534 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.158 -4.657 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.453 -5.836 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.677 -2.860 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.333 -3.751 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.719 -5.085 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.211 -3.913 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.431 -2.177 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.359 -2.866 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.521 -3.272 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.807 -4.731 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.171 -3.531 7.827 1.00 0.00 H new ATOM 346 N ASP A 23 -4.557 -5.999 8.088 1.00 0.00 N ATOM 347 CA ASP A 23 -3.486 -6.982 8.208 1.00 0.00 C ATOM 348 C ASP A 23 -3.328 -7.440 9.654 1.00 0.00 C ATOM 349 O ASP A 23 -2.439 -6.977 10.370 1.00 0.00 O ATOM 350 CB ASP A 23 -2.168 -6.397 7.698 1.00 0.00 C ATOM 351 CG ASP A 23 -1.155 -7.469 7.349 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.568 -8.630 7.139 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.051 -7.149 7.285 1.00 0.00 O ATOM 0 H ASP A 23 -4.238 -5.046 7.912 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.750 -7.847 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.362 -5.785 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.748 -5.738 8.458 1.00 0.00 H new ATOM 358 N THR A 24 -4.198 -8.352 10.080 1.00 0.00 N ATOM 359 CA THR A 24 -4.156 -8.870 11.441 1.00 0.00 C ATOM 360 C THR A 24 -2.885 -9.677 11.684 1.00 0.00 C ATOM 361 O THR A 24 -2.319 -9.648 12.775 1.00 0.00 O ATOM 362 CB THR A 24 -5.380 -9.757 11.742 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.417 -10.864 10.834 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.669 -8.957 11.628 1.00 0.00 C ATOM 0 H THR A 24 -4.940 -8.746 9.501 1.00 0.00 H new ATOM 0 HA THR A 24 -4.168 -8.008 12.108 1.00 0.00 H new ATOM 0 HB THR A 24 -5.291 -10.128 12.763 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.196 -11.424 11.032 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.519 -9.604 11.845 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.650 -8.132 12.341 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.763 -8.561 10.617 1.00 0.00 H new ATOM 372 N GLY A 25 -2.442 -10.397 10.657 1.00 0.00 N ATOM 373 CA GLY A 25 -1.241 -11.202 10.780 1.00 0.00 C ATOM 374 C GLY A 25 0.024 -10.373 10.679 1.00 0.00 C ATOM 375 O GLY A 25 1.122 -10.871 10.927 1.00 0.00 O ATOM 0 H GLY A 25 -2.893 -10.437 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.254 -11.725 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.236 -11.964 10.000 1.00 0.00 H new ATOM 379 N ASN A 26 -0.128 -9.105 10.312 1.00 0.00 N ATOM 380 CA ASN A 26 1.012 -8.206 10.176 1.00 0.00 C ATOM 381 C ASN A 26 2.137 -8.870 9.389 1.00 0.00 C ATOM 382 O ASN A 26 3.305 -8.789 9.769 1.00 0.00 O ATOM 383 CB ASN A 26 1.521 -7.782 11.556 1.00 0.00 C ATOM 384 CG ASN A 26 2.033 -8.956 12.369 1.00 0.00 C ATOM 385 OD1 ASN A 26 1.262 -9.647 13.035 1.00 0.00 O ATOM 386 ND2 ASN A 26 3.340 -9.185 12.318 1.00 0.00 N ATOM 0 H ASN A 26 -1.030 -8.677 10.103 1.00 0.00 H new ATOM 0 HA ASN A 26 0.683 -7.322 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.320 -7.050 11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.716 -7.289 12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.743 -9.960 12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.941 -8.586 11.752 1.00 0.00 H new ATOM 393 N ILE A 27 1.777 -9.524 8.290 1.00 0.00 N ATOM 394 CA ILE A 27 2.756 -10.200 7.448 1.00 0.00 C ATOM 395 C ILE A 27 3.472 -9.210 6.535 1.00 0.00 C ATOM 396 O ILE A 27 4.676 -9.323 6.303 1.00 0.00 O ATOM 397 CB ILE A 27 2.098 -11.292 6.585 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.432 -12.344 7.476 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.129 -11.939 5.672 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.623 -13.364 6.705 1.00 0.00 C ATOM 0 H ILE A 27 0.814 -9.600 7.962 1.00 0.00 H new ATOM 0 HA ILE A 27 3.480 -10.664 8.117 1.00 0.00 H new ATOM 0 HB ILE A 27 1.331 -10.830 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.201 -12.861 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.781 -11.842 8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.648 -12.709 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.561 -11.182 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.917 -12.390 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.180 -14.078 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.168 -12.858 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.273 -13.892 6.008 1.00 0.00 H new ATOM 412 N PHE A 28 2.724 -8.239 6.022 1.00 0.00 N ATOM 413 CA PHE A 28 3.289 -7.228 5.135 1.00 0.00 C ATOM 414 C PHE A 28 3.749 -6.007 5.925 1.00 0.00 C ATOM 415 O PHE A 28 4.505 -5.177 5.421 1.00 0.00 O ATOM 416 CB PHE A 28 2.259 -6.811 4.083 1.00 0.00 C ATOM 417 CG PHE A 28 1.472 -7.961 3.524 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.343 -8.429 4.179 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.860 -8.575 2.345 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.382 -9.487 3.667 1.00 0.00 C ATOM 421 CE2 PHE A 28 1.138 -9.635 1.828 1.00 0.00 C ATOM 422 CZ PHE A 28 0.015 -10.091 2.490 1.00 0.00 C ATOM 0 H PHE A 28 1.726 -8.131 6.205 1.00 0.00 H new ATOM 0 HA PHE A 28 4.155 -7.662 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.570 -6.091 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.771 -6.301 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.027 -7.961 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.737 -8.222 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.259 -9.842 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.452 -10.106 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.552 -10.918 2.088 1.00 0.00 H new ATOM 432 N SER A 29 3.287 -5.905 7.168 1.00 0.00 N ATOM 433 CA SER A 29 3.646 -4.783 8.027 1.00 0.00 C ATOM 434 C SER A 29 5.156 -4.561 8.027 1.00 0.00 C ATOM 435 O SER A 29 5.635 -3.489 8.393 1.00 0.00 O ATOM 436 CB SER A 29 3.157 -5.030 9.456 1.00 0.00 C ATOM 437 OG SER A 29 2.875 -3.809 10.117 1.00 0.00 O ATOM 0 H SER A 29 2.664 -6.586 7.602 1.00 0.00 H new ATOM 0 HA SER A 29 3.163 -3.888 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.261 -5.651 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.914 -5.582 10.013 1.00 0.00 H new ATOM 0 HG SER A 29 2.563 -3.994 11.027 1.00 0.00 H new ATOM 443 N GLU A 30 5.898 -5.583 7.612 1.00 0.00 N ATOM 444 CA GLU A 30 7.354 -5.500 7.564 1.00 0.00 C ATOM 445 C GLU A 30 7.884 -6.011 6.227 1.00 0.00 C ATOM 446 O GLU A 30 7.272 -6.850 5.567 1.00 0.00 O ATOM 447 CB GLU A 30 7.970 -6.303 8.710 1.00 0.00 C ATOM 448 CG GLU A 30 7.349 -6.006 10.065 1.00 0.00 C ATOM 449 CD GLU A 30 8.235 -6.434 11.220 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.464 -6.525 11.023 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.697 -6.679 12.320 1.00 0.00 O ATOM 0 H GLU A 30 5.516 -6.477 7.304 1.00 0.00 H new ATOM 0 HA GLU A 30 7.637 -4.453 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.863 -7.366 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.039 -6.093 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.149 -4.937 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.389 -6.516 10.140 1.00 0.00 H new ATOM 458 N PRO A 31 9.051 -5.491 5.817 1.00 0.00 N ATOM 459 CA PRO A 31 9.690 -5.879 4.556 1.00 0.00 C ATOM 460 C PRO A 31 10.226 -7.306 4.593 1.00 0.00 C ATOM 461 O PRO A 31 10.882 -7.708 5.554 1.00 0.00 O ATOM 462 CB PRO A 31 10.841 -4.879 4.420 1.00 0.00 C ATOM 463 CG PRO A 31 11.146 -4.461 5.816 1.00 0.00 C ATOM 464 CD PRO A 31 9.836 -4.485 6.553 1.00 0.00 C ATOM 0 HA PRO A 31 8.990 -5.860 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.709 -5.337 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.554 -4.026 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.865 -5.138 6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.587 -3.464 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.968 -4.764 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.350 -3.509 6.542 1.00 0.00 H new ATOM 472 N VAL A 32 9.943 -8.067 3.541 1.00 0.00 N ATOM 473 CA VAL A 32 10.399 -9.449 3.453 1.00 0.00 C ATOM 474 C VAL A 32 11.919 -9.531 3.507 1.00 0.00 C ATOM 475 O VAL A 32 12.629 -8.887 2.734 1.00 0.00 O ATOM 476 CB VAL A 32 9.905 -10.121 2.157 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.440 -11.541 2.054 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.385 -10.110 2.097 1.00 0.00 C ATOM 0 H VAL A 32 9.400 -7.750 2.738 1.00 0.00 H new ATOM 0 HA VAL A 32 9.980 -9.976 4.310 1.00 0.00 H new ATOM 0 HB VAL A 32 10.284 -9.553 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.081 -11.999 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.530 -11.520 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.094 -12.123 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.054 -10.588 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.983 -10.653 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.027 -9.081 2.120 1.00 0.00 H new ATOM 488 N PRO A 33 12.435 -10.343 4.442 1.00 0.00 N ATOM 489 CA PRO A 33 13.878 -10.530 4.619 1.00 0.00 C ATOM 490 C PRO A 33 14.510 -11.298 3.463 1.00 0.00 C ATOM 491 O PRO A 33 13.916 -12.236 2.929 1.00 0.00 O ATOM 492 CB PRO A 33 13.975 -11.340 5.915 1.00 0.00 C ATOM 493 CG PRO A 33 12.672 -12.058 6.011 1.00 0.00 C ATOM 494 CD PRO A 33 11.649 -11.142 5.396 1.00 0.00 C ATOM 0 HA PRO A 33 14.410 -9.579 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.811 -12.039 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.134 -10.691 6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.711 -13.010 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.424 -12.280 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.858 -11.701 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.169 -10.514 6.147 1.00 0.00 H new ATOM 502 N LEU A 34 15.717 -10.897 3.081 1.00 0.00 N ATOM 503 CA LEU A 34 16.430 -11.549 1.988 1.00 0.00 C ATOM 504 C LEU A 34 17.142 -12.807 2.475 1.00 0.00 C ATOM 505 O LEU A 34 17.384 -13.734 1.703 1.00 0.00 O ATOM 506 CB LEU A 34 17.443 -10.584 1.368 1.00 0.00 C ATOM 507 CG LEU A 34 16.858 -9.362 0.660 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.951 -8.589 -0.062 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.765 -9.780 -0.314 1.00 0.00 C ATOM 0 H LEU A 34 16.223 -10.123 3.512 1.00 0.00 H new ATOM 0 HA LEU A 34 15.700 -11.837 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.113 -10.237 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.051 -11.137 0.652 1.00 0.00 H new ATOM 0 HG LEU A 34 16.415 -8.709 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.516 -7.723 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.698 -8.256 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.424 -9.234 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.361 -8.897 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.182 -10.455 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.968 -10.288 0.229 1.00 0.00 H new ATOM 521 N SER A 35 17.473 -12.832 3.762 1.00 0.00 N ATOM 522 CA SER A 35 18.158 -13.975 4.354 1.00 0.00 C ATOM 523 C SER A 35 17.434 -15.276 4.017 1.00 0.00 C ATOM 524 O SER A 35 18.064 -16.290 3.720 1.00 0.00 O ATOM 525 CB SER A 35 18.255 -13.811 5.871 1.00 0.00 C ATOM 526 OG SER A 35 19.165 -12.780 6.215 1.00 0.00 O ATOM 0 H SER A 35 17.278 -12.073 4.415 1.00 0.00 H new ATOM 0 HA SER A 35 19.164 -14.019 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.270 -13.583 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.577 -14.750 6.322 1.00 0.00 H new ATOM 0 HG SER A 35 19.208 -12.694 7.190 1.00 0.00 H new ATOM 532 N GLU A 36 16.106 -15.236 4.066 1.00 0.00 N ATOM 533 CA GLU A 36 15.296 -16.412 3.767 1.00 0.00 C ATOM 534 C GLU A 36 14.938 -16.463 2.285 1.00 0.00 C ATOM 535 O GLU A 36 14.741 -17.539 1.719 1.00 0.00 O ATOM 536 CB GLU A 36 14.020 -16.406 4.611 1.00 0.00 C ATOM 537 CG GLU A 36 13.208 -17.685 4.494 1.00 0.00 C ATOM 538 CD GLU A 36 12.409 -17.986 5.748 1.00 0.00 C ATOM 539 OE1 GLU A 36 11.332 -17.380 5.926 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.863 -18.828 6.551 1.00 0.00 O ATOM 0 H GLU A 36 15.569 -14.404 4.309 1.00 0.00 H new ATOM 0 HA GLU A 36 15.882 -17.298 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.286 -16.249 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.399 -15.562 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.528 -17.603 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.878 -18.519 4.286 1.00 0.00 H new ATOM 547 N VAL A 37 14.858 -15.293 1.660 1.00 0.00 N ATOM 548 CA VAL A 37 14.525 -15.204 0.244 1.00 0.00 C ATOM 549 C VAL A 37 15.643 -14.528 -0.542 1.00 0.00 C ATOM 550 O VAL A 37 15.613 -13.325 -0.805 1.00 0.00 O ATOM 551 CB VAL A 37 13.215 -14.425 0.022 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.542 -14.866 -1.269 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.280 -14.608 1.209 1.00 0.00 C ATOM 0 H VAL A 37 15.019 -14.393 2.112 1.00 0.00 H new ATOM 0 HA VAL A 37 14.397 -16.225 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 37 13.454 -13.365 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.618 -14.304 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.210 -14.680 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.315 -15.931 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.359 -14.051 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.047 -15.666 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.763 -14.238 2.113 1.00 0.00 H new ATOM 563 N PRO A 38 16.656 -15.318 -0.928 1.00 0.00 N ATOM 564 CA PRO A 38 17.804 -14.818 -1.691 1.00 0.00 C ATOM 565 C PRO A 38 17.428 -14.435 -3.118 1.00 0.00 C ATOM 566 O PRO A 38 18.161 -13.708 -3.789 1.00 0.00 O ATOM 567 CB PRO A 38 18.772 -16.003 -1.692 1.00 0.00 C ATOM 568 CG PRO A 38 17.905 -17.202 -1.517 1.00 0.00 C ATOM 569 CD PRO A 38 16.758 -16.760 -0.650 1.00 0.00 C ATOM 0 HA PRO A 38 18.221 -13.911 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.334 -16.054 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.500 -15.920 -0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.548 -17.569 -2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.456 -18.018 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.837 -17.284 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.954 -16.953 0.405 1.00 0.00 H new ATOM 577 N ASP A 39 16.284 -14.929 -3.577 1.00 0.00 N ATOM 578 CA ASP A 39 15.810 -14.638 -4.925 1.00 0.00 C ATOM 579 C ASP A 39 14.553 -13.774 -4.885 1.00 0.00 C ATOM 580 O ASP A 39 13.726 -13.822 -5.796 1.00 0.00 O ATOM 581 CB ASP A 39 15.528 -15.936 -5.681 1.00 0.00 C ATOM 582 CG ASP A 39 16.675 -16.922 -5.588 1.00 0.00 C ATOM 583 OD1 ASP A 39 16.737 -17.670 -4.590 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.513 -16.946 -6.515 1.00 0.00 O ATOM 0 H ASP A 39 15.667 -15.534 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 39 16.592 -14.086 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.624 -16.396 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.333 -15.708 -6.729 1.00 0.00 H new ATOM 589 N TYR A 40 14.416 -12.987 -3.824 1.00 0.00 N ATOM 590 CA TYR A 40 13.259 -12.116 -3.663 1.00 0.00 C ATOM 591 C TYR A 40 13.137 -11.149 -4.837 1.00 0.00 C ATOM 592 O TYR A 40 12.152 -11.170 -5.575 1.00 0.00 O ATOM 593 CB TYR A 40 13.361 -11.333 -2.352 1.00 0.00 C ATOM 594 CG TYR A 40 12.139 -10.496 -2.051 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.867 -11.053 -2.069 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.258 -9.145 -1.746 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.749 -10.291 -1.795 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.144 -8.375 -1.469 1.00 0.00 C ATOM 599 CZ TYR A 40 9.892 -8.953 -1.495 1.00 0.00 C ATOM 600 OH TYR A 40 8.780 -8.190 -1.220 1.00 0.00 O ATOM 0 H TYR A 40 15.092 -12.935 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 40 12.367 -12.742 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.523 -12.033 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.235 -10.683 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.750 -12.101 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.237 -8.689 -1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.767 -10.741 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.253 -7.327 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 40 9.055 -7.269 -1.028 1.00 0.00 H new ATOM 610 N LEU A 41 14.148 -10.303 -5.004 1.00 0.00 N ATOM 611 CA LEU A 41 14.157 -9.327 -6.088 1.00 0.00 C ATOM 612 C LEU A 41 14.206 -10.022 -7.446 1.00 0.00 C ATOM 613 O LEU A 41 13.643 -9.533 -8.426 1.00 0.00 O ATOM 614 CB LEU A 41 15.352 -8.383 -5.943 1.00 0.00 C ATOM 615 CG LEU A 41 15.555 -7.767 -4.558 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.889 -7.040 -4.488 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.411 -6.820 -4.223 1.00 0.00 C ATOM 0 H LEU A 41 14.972 -10.273 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 41 13.236 -8.748 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.256 -8.929 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.241 -7.575 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 41 15.563 -8.570 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.016 -6.608 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.698 -7.744 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.910 -6.246 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.572 -6.391 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.371 -6.021 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.470 -7.369 -4.231 1.00 0.00 H new ATOM 629 N ASP A 42 14.881 -11.165 -7.495 1.00 0.00 N ATOM 630 CA ASP A 42 15.001 -11.929 -8.731 1.00 0.00 C ATOM 631 C ASP A 42 13.655 -12.027 -9.443 1.00 0.00 C ATOM 632 O ASP A 42 13.591 -12.041 -10.672 1.00 0.00 O ATOM 633 CB ASP A 42 15.541 -13.330 -8.439 1.00 0.00 C ATOM 634 CG ASP A 42 17.020 -13.323 -8.108 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.415 -12.602 -7.167 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.783 -14.040 -8.789 1.00 0.00 O ATOM 0 H ASP A 42 15.353 -11.583 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 42 15.700 -11.408 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.987 -13.763 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.368 -13.970 -9.304 1.00 0.00 H new ATOM 641 N HIS A 43 12.582 -12.095 -8.661 1.00 0.00 N ATOM 642 CA HIS A 43 11.237 -12.193 -9.216 1.00 0.00 C ATOM 643 C HIS A 43 10.494 -10.867 -9.076 1.00 0.00 C ATOM 644 O HIS A 43 9.645 -10.530 -9.902 1.00 0.00 O ATOM 645 CB HIS A 43 10.453 -13.306 -8.520 1.00 0.00 C ATOM 646 CG HIS A 43 10.927 -14.682 -8.874 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.178 -15.564 -9.626 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.079 -15.326 -8.579 1.00 0.00 C ATOM 649 CE1 HIS A 43 10.850 -16.692 -9.775 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.007 -16.573 -9.149 1.00 0.00 N ATOM 0 H HIS A 43 12.618 -12.084 -7.642 1.00 0.00 H new ATOM 0 HA HIS A 43 11.325 -12.431 -10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.527 -13.171 -7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.399 -13.215 -8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.903 -14.932 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.511 -17.563 -10.316 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.730 -17.291 -9.097 1.00 0.00 H new ATOM 659 N ILE A 44 10.818 -10.121 -8.024 1.00 0.00 N ATOM 660 CA ILE A 44 10.181 -8.834 -7.777 1.00 0.00 C ATOM 661 C ILE A 44 11.085 -7.682 -8.204 1.00 0.00 C ATOM 662 O ILE A 44 12.222 -7.568 -7.746 1.00 0.00 O ATOM 663 CB ILE A 44 9.818 -8.662 -6.290 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.733 -9.664 -5.888 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.359 -7.238 -6.018 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.609 -9.772 -6.894 1.00 0.00 C ATOM 0 H ILE A 44 11.517 -10.386 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 44 9.267 -8.815 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 44 10.706 -8.857 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.187 -10.646 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.319 -9.372 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.106 -7.132 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.160 -6.543 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.481 -7.016 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.877 -10.500 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.129 -8.800 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.010 -10.094 -7.855 1.00 0.00 H new ATOM 678 N LYS A 45 10.571 -6.830 -9.084 1.00 0.00 N ATOM 679 CA LYS A 45 11.329 -5.684 -9.573 1.00 0.00 C ATOM 680 C LYS A 45 11.253 -4.522 -8.588 1.00 0.00 C ATOM 681 O LYS A 45 12.263 -3.888 -8.280 1.00 0.00 O ATOM 682 CB LYS A 45 10.803 -5.243 -10.940 1.00 0.00 C ATOM 683 CG LYS A 45 11.474 -5.947 -12.106 1.00 0.00 C ATOM 684 CD LYS A 45 12.871 -5.404 -12.357 1.00 0.00 C ATOM 685 CE LYS A 45 12.834 -4.137 -13.199 1.00 0.00 C ATOM 686 NZ LYS A 45 14.094 -3.948 -13.970 1.00 0.00 N ATOM 0 H LYS A 45 9.632 -6.911 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 45 12.372 -5.986 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.730 -5.428 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.946 -4.167 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.530 -7.017 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.868 -5.824 -13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.358 -5.195 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.471 -6.161 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.990 -4.183 -13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.671 -3.275 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.030 -3.075 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.897 -3.879 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.237 -4.758 -14.606 1.00 0.00 H new ATOM 700 N LYS A 46 10.050 -4.247 -8.096 1.00 0.00 N ATOM 701 CA LYS A 46 9.841 -3.162 -7.144 1.00 0.00 C ATOM 702 C LYS A 46 9.146 -3.670 -5.885 1.00 0.00 C ATOM 703 O LYS A 46 7.921 -3.630 -5.765 1.00 0.00 O ATOM 704 CB LYS A 46 9.011 -2.046 -7.784 1.00 0.00 C ATOM 705 CG LYS A 46 8.819 -0.840 -6.882 1.00 0.00 C ATOM 706 CD LYS A 46 8.216 0.332 -7.641 1.00 0.00 C ATOM 707 CE LYS A 46 7.458 1.266 -6.712 1.00 0.00 C ATOM 708 NZ LYS A 46 8.366 2.235 -6.037 1.00 0.00 N ATOM 0 H LYS A 46 9.204 -4.761 -8.341 1.00 0.00 H new ATOM 0 HA LYS A 46 10.817 -2.765 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.496 -1.726 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.034 -2.443 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.170 -1.107 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.779 -0.545 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.007 0.884 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.543 -0.041 -8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.704 1.810 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.929 0.680 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.811 2.854 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.070 1.717 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.852 2.812 -6.753 1.00 0.00 H new ATOM 722 N PRO A 47 9.943 -4.159 -4.924 1.00 0.00 N ATOM 723 CA PRO A 47 9.424 -4.682 -3.656 1.00 0.00 C ATOM 724 C PRO A 47 8.857 -3.583 -2.764 1.00 0.00 C ATOM 725 O PRO A 47 9.593 -2.722 -2.279 1.00 0.00 O ATOM 726 CB PRO A 47 10.655 -5.317 -3.004 1.00 0.00 C ATOM 727 CG PRO A 47 11.813 -4.589 -3.594 1.00 0.00 C ATOM 728 CD PRO A 47 11.411 -4.237 -4.999 1.00 0.00 C ATOM 0 HA PRO A 47 8.599 -5.377 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.629 -5.208 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.709 -6.385 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.044 -3.693 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.708 -5.211 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.848 -3.290 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.737 -4.994 -5.712 1.00 0.00 H new ATOM 736 N MET A 48 7.546 -3.618 -2.550 1.00 0.00 N ATOM 737 CA MET A 48 6.882 -2.624 -1.714 1.00 0.00 C ATOM 738 C MET A 48 6.388 -3.251 -0.414 1.00 0.00 C ATOM 739 O MET A 48 6.180 -4.462 -0.337 1.00 0.00 O ATOM 740 CB MET A 48 5.709 -1.994 -2.467 1.00 0.00 C ATOM 741 CG MET A 48 5.128 -0.771 -1.776 1.00 0.00 C ATOM 742 SD MET A 48 6.385 0.449 -1.351 1.00 0.00 S ATOM 743 CE MET A 48 6.921 0.965 -2.981 1.00 0.00 C ATOM 0 H MET A 48 6.923 -4.323 -2.943 1.00 0.00 H new ATOM 0 HA MET A 48 7.607 -1.847 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.039 -1.713 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.923 -2.740 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.385 -0.310 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.609 -1.083 -0.870 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.135 2.034 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.821 0.417 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.133 0.759 -3.705 1.00 0.00 H new ATOM 753 N ASP A 49 6.202 -2.419 0.605 1.00 0.00 N ATOM 754 CA ASP A 49 5.731 -2.891 1.902 1.00 0.00 C ATOM 755 C ASP A 49 4.940 -1.805 2.622 1.00 0.00 C ATOM 756 O ASP A 49 4.768 -0.700 2.104 1.00 0.00 O ATOM 757 CB ASP A 49 6.912 -3.337 2.765 1.00 0.00 C ATOM 758 CG ASP A 49 7.577 -4.592 2.235 1.00 0.00 C ATOM 759 OD1 ASP A 49 7.114 -5.699 2.578 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.561 -4.466 1.476 1.00 0.00 O ATOM 0 H ASP A 49 6.370 -1.414 0.558 1.00 0.00 H new ATOM 0 HA ASP A 49 5.072 -3.743 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.647 -2.533 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.567 -3.515 3.783 1.00 0.00 H new ATOM 765 N PHE A 50 4.458 -2.125 3.819 1.00 0.00 N ATOM 766 CA PHE A 50 3.682 -1.176 4.609 1.00 0.00 C ATOM 767 C PHE A 50 4.588 -0.122 5.237 1.00 0.00 C ATOM 768 O PHE A 50 4.239 1.057 5.298 1.00 0.00 O ATOM 769 CB PHE A 50 2.900 -1.909 5.701 1.00 0.00 C ATOM 770 CG PHE A 50 1.533 -2.354 5.264 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.624 -1.442 4.753 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.158 -3.684 5.366 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.634 -1.848 4.350 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.098 -4.096 4.963 1.00 0.00 C ATOM 775 CZ PHE A 50 -0.996 -3.176 4.456 1.00 0.00 C ATOM 0 H PHE A 50 4.591 -3.034 4.263 1.00 0.00 H new ATOM 0 HA PHE A 50 2.980 -0.675 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.471 -2.780 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.801 -1.255 6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.902 -0.402 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.855 -4.406 5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.333 -1.127 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.378 -5.136 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.979 -3.495 4.143 1.00 0.00 H new ATOM 785 N PHE A 51 5.754 -0.556 5.705 1.00 0.00 N ATOM 786 CA PHE A 51 6.711 0.348 6.331 1.00 0.00 C ATOM 787 C PHE A 51 7.461 1.160 5.278 1.00 0.00 C ATOM 788 O PHE A 51 7.710 2.352 5.457 1.00 0.00 O ATOM 789 CB PHE A 51 7.706 -0.439 7.186 1.00 0.00 C ATOM 790 CG PHE A 51 8.989 0.298 7.447 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.006 1.421 8.257 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.178 -0.133 6.880 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.185 2.101 8.499 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.359 0.543 7.118 1.00 0.00 C ATOM 795 CZ PHE A 51 11.362 1.661 7.927 1.00 0.00 C ATOM 0 H PHE A 51 6.059 -1.529 5.662 1.00 0.00 H new ATOM 0 HA PHE A 51 6.157 1.036 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.238 -0.686 8.139 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.933 -1.382 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.087 1.770 8.705 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.181 -1.007 6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.185 2.975 9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.279 0.197 6.671 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.284 2.191 8.113 1.00 0.00 H new ATOM 805 N THR A 52 7.819 0.504 4.178 1.00 0.00 N ATOM 806 CA THR A 52 8.541 1.163 3.097 1.00 0.00 C ATOM 807 C THR A 52 7.706 2.277 2.477 1.00 0.00 C ATOM 808 O THR A 52 8.161 3.415 2.362 1.00 0.00 O ATOM 809 CB THR A 52 8.940 0.162 1.997 1.00 0.00 C ATOM 810 OG1 THR A 52 9.872 -0.792 2.516 1.00 0.00 O ATOM 811 CG2 THR A 52 9.555 0.882 0.806 1.00 0.00 C ATOM 0 H THR A 52 7.621 -0.483 4.013 1.00 0.00 H new ATOM 0 HA THR A 52 9.444 1.590 3.534 1.00 0.00 H new ATOM 0 HB THR A 52 8.040 -0.354 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.119 -1.426 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.829 0.154 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.832 1.586 0.394 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.445 1.422 1.128 1.00 0.00 H new ATOM 819 N MET A 53 6.484 1.942 2.079 1.00 0.00 N ATOM 820 CA MET A 53 5.584 2.916 1.471 1.00 0.00 C ATOM 821 C MET A 53 5.424 4.141 2.366 1.00 0.00 C ATOM 822 O MET A 53 5.321 5.267 1.882 1.00 0.00 O ATOM 823 CB MET A 53 4.217 2.283 1.205 1.00 0.00 C ATOM 824 CG MET A 53 3.309 2.264 2.423 1.00 0.00 C ATOM 825 SD MET A 53 2.295 3.749 2.557 1.00 0.00 S ATOM 826 CE MET A 53 1.180 3.524 1.173 1.00 0.00 C ATOM 0 H MET A 53 6.093 1.004 2.166 1.00 0.00 H new ATOM 0 HA MET A 53 6.020 3.234 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.723 2.830 0.402 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.361 1.261 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.661 1.389 2.374 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.916 2.161 3.322 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.314 4.339 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.395 2.575 0.683 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.151 3.522 1.532 1.00 0.00 H new ATOM 836 N LYS A 54 5.405 3.913 3.675 1.00 0.00 N ATOM 837 CA LYS A 54 5.259 4.997 4.639 1.00 0.00 C ATOM 838 C LYS A 54 6.469 5.925 4.601 1.00 0.00 C ATOM 839 O LYS A 54 6.323 7.147 4.598 1.00 0.00 O ATOM 840 CB LYS A 54 5.080 4.432 6.050 1.00 0.00 C ATOM 841 CG LYS A 54 4.865 5.499 7.110 1.00 0.00 C ATOM 842 CD LYS A 54 3.496 6.144 6.980 1.00 0.00 C ATOM 843 CE LYS A 54 3.470 7.528 7.612 1.00 0.00 C ATOM 844 NZ LYS A 54 3.423 7.458 9.098 1.00 0.00 N ATOM 0 H LYS A 54 5.489 2.986 4.093 1.00 0.00 H new ATOM 0 HA LYS A 54 4.373 5.572 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.229 3.751 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.960 3.844 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.967 5.055 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.638 6.262 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.226 6.219 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.748 5.511 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.354 8.085 7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.603 8.078 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.024 8.205 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.443 7.591 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.768 6.529 9.413 1.00 0.00 H new ATOM 858 N GLN A 55 7.660 5.337 4.572 1.00 0.00 N ATOM 859 CA GLN A 55 8.894 6.113 4.533 1.00 0.00 C ATOM 860 C GLN A 55 8.885 7.092 3.363 1.00 0.00 C ATOM 861 O GLN A 55 9.224 8.264 3.520 1.00 0.00 O ATOM 862 CB GLN A 55 10.103 5.183 4.425 1.00 0.00 C ATOM 863 CG GLN A 55 10.234 4.216 5.591 1.00 0.00 C ATOM 864 CD GLN A 55 10.882 4.852 6.805 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.107 4.961 6.884 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.063 5.274 7.761 1.00 0.00 N ATOM 0 H GLN A 55 7.797 4.326 4.575 1.00 0.00 H new ATOM 0 HA GLN A 55 8.964 6.683 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.031 4.614 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.009 5.785 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.246 3.845 5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.823 3.354 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.055 5.164 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.442 5.708 8.602 1.00 0.00 H new ATOM 875 N ASN A 56 8.495 6.603 2.191 1.00 0.00 N ATOM 876 CA ASN A 56 8.442 7.435 0.995 1.00 0.00 C ATOM 877 C ASN A 56 7.374 8.515 1.130 1.00 0.00 C ATOM 878 O ASN A 56 7.571 9.656 0.708 1.00 0.00 O ATOM 879 CB ASN A 56 8.160 6.575 -0.239 1.00 0.00 C ATOM 880 CG ASN A 56 9.265 5.571 -0.509 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.445 5.863 -0.311 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.886 4.382 -0.962 1.00 0.00 N ATOM 0 H ASN A 56 8.211 5.634 2.044 1.00 0.00 H new ATOM 0 HA ASN A 56 9.411 7.920 0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.217 6.045 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.039 7.221 -1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.584 3.666 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.896 4.185 -1.111 1.00 0.00 H new ATOM 889 N LEU A 57 6.241 8.149 1.720 1.00 0.00 N ATOM 890 CA LEU A 57 5.141 9.087 1.912 1.00 0.00 C ATOM 891 C LEU A 57 5.571 10.260 2.788 1.00 0.00 C ATOM 892 O LEU A 57 5.248 11.412 2.500 1.00 0.00 O ATOM 893 CB LEU A 57 3.944 8.375 2.546 1.00 0.00 C ATOM 894 CG LEU A 57 2.874 9.279 3.160 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.505 8.623 3.068 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.215 9.606 4.606 1.00 0.00 C ATOM 0 H LEU A 57 6.060 7.209 2.074 1.00 0.00 H new ATOM 0 HA LEU A 57 4.852 9.474 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.473 7.752 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.314 7.705 3.322 1.00 0.00 H new ATOM 0 HG LEU A 57 2.847 10.211 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.756 9.280 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.258 8.442 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.519 7.675 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.442 10.250 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.272 8.684 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.176 10.119 4.646 1.00 0.00 H new ATOM 908 N GLU A 58 6.304 9.958 3.855 1.00 0.00 N ATOM 909 CA GLU A 58 6.779 10.988 4.770 1.00 0.00 C ATOM 910 C GLU A 58 7.814 11.883 4.093 1.00 0.00 C ATOM 911 O GLU A 58 8.075 12.998 4.542 1.00 0.00 O ATOM 912 CB GLU A 58 7.384 10.350 6.023 1.00 0.00 C ATOM 913 CG GLU A 58 6.408 9.471 6.789 1.00 0.00 C ATOM 914 CD GLU A 58 5.576 10.255 7.786 1.00 0.00 C ATOM 915 OE1 GLU A 58 5.175 11.392 7.459 1.00 0.00 O ATOM 916 OE2 GLU A 58 5.324 9.732 8.891 1.00 0.00 O ATOM 0 H GLU A 58 6.581 9.009 4.106 1.00 0.00 H new ATOM 0 HA GLU A 58 5.926 11.602 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.249 9.753 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.746 11.138 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.746 8.969 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.961 8.693 7.315 1.00 0.00 H new ATOM 923 N ALA A 59 8.399 11.384 3.009 1.00 0.00 N ATOM 924 CA ALA A 59 9.403 12.137 2.269 1.00 0.00 C ATOM 925 C ALA A 59 8.770 12.922 1.126 1.00 0.00 C ATOM 926 O ALA A 59 9.446 13.308 0.173 1.00 0.00 O ATOM 927 CB ALA A 59 10.479 11.202 1.736 1.00 0.00 C ATOM 0 H ALA A 59 8.195 10.462 2.624 1.00 0.00 H new ATOM 0 HA ALA A 59 9.863 12.850 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.222 11.779 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.961 10.690 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.025 10.467 1.072 1.00 0.00 H new ATOM 933 N TYR A 60 7.465 13.154 1.226 1.00 0.00 N ATOM 934 CA TYR A 60 6.738 13.890 0.199 1.00 0.00 C ATOM 935 C TYR A 60 7.004 13.302 -1.183 1.00 0.00 C ATOM 936 O TYR A 60 7.225 14.033 -2.150 1.00 0.00 O ATOM 937 CB TYR A 60 7.136 15.367 0.222 1.00 0.00 C ATOM 938 CG TYR A 60 6.746 16.079 1.497 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.312 15.722 2.715 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.813 17.108 1.485 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.958 16.369 3.884 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.455 17.762 2.648 1.00 0.00 C ATOM 943 CZ TYR A 60 6.030 17.389 3.845 1.00 0.00 C ATOM 944 OH TYR A 60 5.675 18.037 5.006 1.00 0.00 O ATOM 0 H TYR A 60 6.889 12.843 2.008 1.00 0.00 H new ATOM 0 HA TYR A 60 5.672 13.804 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.215 15.446 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.671 15.873 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.041 14.926 2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.359 17.402 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.405 16.078 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.729 18.561 2.620 1.00 0.00 H new ATOM 0 HH TYR A 60 5.012 18.730 4.804 1.00 0.00 H new ATOM 954 N ARG A 61 6.981 11.975 -1.269 1.00 0.00 N ATOM 955 CA ARG A 61 7.219 11.288 -2.533 1.00 0.00 C ATOM 956 C ARG A 61 5.905 11.003 -3.253 1.00 0.00 C ATOM 957 O ARG A 61 5.880 10.815 -4.470 1.00 0.00 O ATOM 958 CB ARG A 61 7.975 9.980 -2.291 1.00 0.00 C ATOM 959 CG ARG A 61 9.437 10.180 -1.928 1.00 0.00 C ATOM 960 CD ARG A 61 10.278 8.974 -2.316 1.00 0.00 C ATOM 961 NE ARG A 61 11.706 9.282 -2.325 1.00 0.00 N ATOM 962 CZ ARG A 61 12.325 9.869 -3.344 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.644 10.210 -4.430 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.626 10.117 -3.277 1.00 0.00 N ATOM 0 H ARG A 61 6.800 11.355 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 61 7.824 11.939 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.483 9.429 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.913 9.363 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.819 11.068 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.526 10.357 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.087 8.159 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.976 8.624 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 61 12.258 9.033 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.643 10.022 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.121 10.660 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.152 9.857 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.100 10.568 -4.060 1.00 0.00 H new ATOM 978 N TYR A 62 4.815 10.970 -2.494 1.00 0.00 N ATOM 979 CA TYR A 62 3.497 10.704 -3.059 1.00 0.00 C ATOM 980 C TYR A 62 2.627 11.956 -3.023 1.00 0.00 C ATOM 981 O TYR A 62 2.171 12.380 -1.960 1.00 0.00 O ATOM 982 CB TYR A 62 2.811 9.571 -2.295 1.00 0.00 C ATOM 983 CG TYR A 62 3.615 8.290 -2.262 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.261 7.821 -3.400 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.729 7.549 -1.093 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.996 6.652 -3.374 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.463 6.378 -1.056 1.00 0.00 C ATOM 988 CZ TYR A 62 5.094 5.934 -2.200 1.00 0.00 C ATOM 989 OH TYR A 62 5.826 4.770 -2.170 1.00 0.00 O ATOM 0 H TYR A 62 4.818 11.124 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 62 3.629 10.404 -4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.620 9.897 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.842 9.370 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.187 8.381 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.235 7.894 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.491 6.302 -4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.542 5.815 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 62 6.555 4.825 -2.823 1.00 0.00 H new ATOM 999 N LEU A 63 2.398 12.544 -4.192 1.00 0.00 N ATOM 1000 CA LEU A 63 1.581 13.748 -4.297 1.00 0.00 C ATOM 1001 C LEU A 63 0.212 13.427 -4.889 1.00 0.00 C ATOM 1002 O LEU A 63 -0.761 14.137 -4.645 1.00 0.00 O ATOM 1003 CB LEU A 63 2.289 14.796 -5.158 1.00 0.00 C ATOM 1004 CG LEU A 63 3.716 15.156 -4.740 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.525 15.614 -5.943 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.701 16.231 -3.664 1.00 0.00 C ATOM 0 H LEU A 63 2.767 12.206 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 63 1.438 14.149 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.313 14.436 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.690 15.706 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 63 4.189 14.265 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.537 15.866 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.564 14.813 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.054 16.492 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.724 16.475 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.209 17.124 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.159 15.865 -2.792 1.00 0.00 H new ATOM 1018 N ASN A 64 0.148 12.351 -5.666 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.103 11.935 -6.292 1.00 0.00 C ATOM 1020 C ASN A 64 -1.571 10.595 -5.734 1.00 0.00 C ATOM 1021 O ASN A 64 -0.759 9.733 -5.398 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.930 11.836 -7.808 1.00 0.00 C ATOM 1023 CG ASN A 64 0.115 10.811 -8.206 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.167 9.614 -8.269 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.328 11.277 -8.475 1.00 0.00 N ATOM 0 H ASN A 64 0.946 11.752 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.860 12.686 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.885 11.573 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.647 12.812 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.072 10.635 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.516 12.277 -8.410 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.885 10.427 -5.637 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.463 9.192 -5.119 1.00 0.00 C ATOM 1034 C PHE A 65 -2.952 7.984 -5.899 1.00 0.00 C ATOM 1035 O PHE A 65 -2.506 6.997 -5.314 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.990 9.249 -5.187 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.668 8.430 -4.128 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.762 8.896 -2.826 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.213 7.192 -4.433 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.386 8.142 -1.849 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.839 6.436 -3.460 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.925 6.911 -2.166 1.00 0.00 C ATOM 0 H PHE A 65 -3.571 11.131 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.158 9.086 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.311 10.286 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.315 8.901 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.343 9.859 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.148 6.814 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.452 8.516 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.261 5.474 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.413 6.321 -1.404 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.022 8.071 -7.223 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.566 6.986 -8.085 1.00 0.00 C ATOM 1054 C ASP A 66 -1.206 6.465 -7.632 1.00 0.00 C ATOM 1055 O ASP A 66 -0.903 5.282 -7.778 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.488 7.459 -9.537 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.768 8.127 -9.999 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.073 9.231 -9.501 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.464 7.547 -10.857 1.00 0.00 O ATOM 0 H ASP A 66 -3.390 8.881 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.287 6.172 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.658 8.158 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.273 6.607 -10.182 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.389 7.359 -7.083 1.00 0.00 N ATOM 1065 CA ASP A 67 0.939 6.991 -6.608 1.00 0.00 C ATOM 1066 C ASP A 67 0.856 6.252 -5.277 1.00 0.00 C ATOM 1067 O ASP A 67 1.292 5.107 -5.161 1.00 0.00 O ATOM 1068 CB ASP A 67 1.814 8.236 -6.462 1.00 0.00 C ATOM 1069 CG ASP A 67 2.549 8.583 -7.742 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.039 8.241 -8.829 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.634 9.195 -7.656 1.00 0.00 O ATOM 0 H ASP A 67 -0.624 8.343 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 67 1.389 6.324 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.192 9.080 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.538 8.076 -5.663 1.00 0.00 H new ATOM 1076 N PHE A 68 0.292 6.916 -4.272 1.00 0.00 N ATOM 1077 CA PHE A 68 0.153 6.324 -2.947 1.00 0.00 C ATOM 1078 C PHE A 68 -0.580 4.988 -3.023 1.00 0.00 C ATOM 1079 O PHE A 68 -0.408 4.125 -2.163 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.597 7.279 -2.015 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.995 6.651 -0.710 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -2.151 5.892 -0.615 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.216 6.820 0.422 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.521 5.313 0.584 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.580 6.243 1.624 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.735 5.489 1.705 1.00 0.00 C ATOM 0 H PHE A 68 -0.076 7.864 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 68 1.152 6.148 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.031 8.147 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.491 7.642 -2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.770 5.751 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.687 7.410 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.424 4.724 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.038 6.381 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.022 5.038 2.643 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.397 4.826 -4.058 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.158 3.596 -4.245 1.00 0.00 C ATOM 1098 C GLU A 69 -1.322 2.544 -4.968 1.00 0.00 C ATOM 1099 O GLU A 69 -1.488 1.345 -4.746 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.438 3.877 -5.036 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.255 2.631 -5.334 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.704 2.945 -5.650 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -5.953 3.644 -6.655 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.588 2.493 -4.894 1.00 0.00 O ATOM 0 H GLU A 69 -1.549 5.530 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.424 3.211 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.054 4.580 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.175 4.362 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.810 2.102 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.211 1.959 -4.477 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.423 3.003 -5.833 1.00 0.00 N ATOM 1112 CA GLU A 70 0.438 2.101 -6.590 1.00 0.00 C ATOM 1113 C GLU A 70 1.262 1.222 -5.652 1.00 0.00 C ATOM 1114 O GLU A 70 1.212 -0.005 -5.732 1.00 0.00 O ATOM 1115 CB GLU A 70 1.368 2.898 -7.507 1.00 0.00 C ATOM 1116 CG GLU A 70 1.981 2.067 -8.622 1.00 0.00 C ATOM 1117 CD GLU A 70 0.999 1.776 -9.740 1.00 0.00 C ATOM 1118 OE1 GLU A 70 0.083 0.955 -9.528 1.00 0.00 O ATOM 1119 OE2 GLU A 70 1.146 2.370 -10.829 1.00 0.00 O ATOM 0 H GLU A 70 -0.272 3.993 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.198 1.458 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.810 3.725 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.168 3.335 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.844 2.593 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.346 1.126 -8.210 1.00 0.00 H new ATOM 1126 N ASP A 71 2.019 1.860 -4.767 1.00 0.00 N ATOM 1127 CA ASP A 71 2.854 1.138 -3.814 1.00 0.00 C ATOM 1128 C ASP A 71 2.053 0.049 -3.106 1.00 0.00 C ATOM 1129 O ASP A 71 2.435 -1.121 -3.115 1.00 0.00 O ATOM 1130 CB ASP A 71 3.444 2.104 -2.785 1.00 0.00 C ATOM 1131 CG ASP A 71 2.543 2.288 -1.580 1.00 0.00 C ATOM 1132 OD1 ASP A 71 2.493 1.373 -0.731 1.00 0.00 O ATOM 1133 OD2 ASP A 71 1.887 3.346 -1.485 1.00 0.00 O ATOM 0 H ASP A 71 2.072 2.876 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 71 3.667 0.666 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.414 1.732 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.617 3.071 -3.257 1.00 0.00 H new ATOM 1138 N PHE A 72 0.941 0.442 -2.494 1.00 0.00 N ATOM 1139 CA PHE A 72 0.088 -0.500 -1.780 1.00 0.00 C ATOM 1140 C PHE A 72 -0.242 -1.705 -2.654 1.00 0.00 C ATOM 1141 O PHE A 72 -0.174 -2.849 -2.205 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.205 0.188 -1.332 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.272 -0.771 -0.889 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.106 -1.376 -1.815 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.440 -1.069 0.454 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.089 -2.259 -1.410 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.422 -1.950 0.865 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.247 -2.547 -0.068 1.00 0.00 C ATOM 0 H PHE A 72 0.610 1.407 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 72 0.630 -0.848 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.979 0.871 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.589 0.792 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.987 -1.155 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.796 -0.607 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.733 -2.724 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.544 -2.172 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.014 -3.237 0.251 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.601 -1.441 -3.907 1.00 0.00 N ATOM 1159 CA ASN A 73 -0.942 -2.504 -4.845 1.00 0.00 C ATOM 1160 C ASN A 73 0.216 -3.486 -4.999 1.00 0.00 C ATOM 1161 O ASN A 73 0.030 -4.700 -4.907 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.309 -1.911 -6.207 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.701 -1.310 -6.220 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.616 -1.819 -5.572 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.867 -0.221 -6.962 1.00 0.00 N ATOM 0 H ASN A 73 -0.663 -0.500 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.801 -3.044 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.582 -1.144 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.245 -2.689 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.782 0.228 -7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.080 0.166 -7.483 1.00 0.00 H new ATOM 1172 N LEU A 74 1.409 -2.952 -5.236 1.00 0.00 N ATOM 1173 CA LEU A 74 2.598 -3.781 -5.402 1.00 0.00 C ATOM 1174 C LEU A 74 2.656 -4.870 -4.336 1.00 0.00 C ATOM 1175 O LEU A 74 2.802 -6.052 -4.650 1.00 0.00 O ATOM 1176 CB LEU A 74 3.859 -2.918 -5.336 1.00 0.00 C ATOM 1177 CG LEU A 74 4.285 -2.250 -6.643 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.562 -1.450 -6.441 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.474 -3.292 -7.736 1.00 0.00 C ATOM 0 H LEU A 74 1.579 -1.950 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 74 2.544 -4.259 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.704 -2.141 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.682 -3.540 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 74 3.496 -1.565 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.850 -0.981 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.394 -0.680 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.359 -2.115 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.777 -2.799 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.244 -4.001 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.536 -3.823 -7.899 1.00 0.00 H new ATOM 1191 N ILE A 75 2.540 -4.465 -3.077 1.00 0.00 N ATOM 1192 CA ILE A 75 2.576 -5.407 -1.965 1.00 0.00 C ATOM 1193 C ILE A 75 1.667 -6.602 -2.227 1.00 0.00 C ATOM 1194 O ILE A 75 2.064 -7.752 -2.037 1.00 0.00 O ATOM 1195 CB ILE A 75 2.155 -4.736 -0.644 1.00 0.00 C ATOM 1196 CG1 ILE A 75 3.063 -3.542 -0.341 1.00 0.00 C ATOM 1197 CG2 ILE A 75 2.194 -5.741 0.498 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.490 -2.593 0.688 1.00 0.00 C ATOM 0 H ILE A 75 2.420 -3.491 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 75 3.607 -5.750 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 75 1.132 -4.374 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.027 -3.909 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.250 -2.994 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.894 -5.251 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.510 -6.562 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.206 -6.131 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.187 -1.771 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.540 -2.197 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.329 -3.126 1.625 1.00 0.00 H new ATOM 1210 N VAL A 76 0.443 -6.324 -2.666 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.523 -7.376 -2.958 1.00 0.00 C ATOM 1212 C VAL A 76 -0.094 -8.195 -4.169 1.00 0.00 C ATOM 1213 O VAL A 76 -0.002 -9.420 -4.102 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.926 -6.794 -3.216 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.902 -7.899 -3.587 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.415 -6.025 -1.998 1.00 0.00 C ATOM 0 H VAL A 76 0.097 -5.378 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.562 -8.022 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.865 -6.100 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.888 -7.469 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.556 -8.402 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.963 -8.620 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.407 -5.621 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.462 -6.695 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.727 -5.208 -1.783 1.00 0.00 H new ATOM 1226 N SER A 77 0.169 -7.510 -5.278 1.00 0.00 N ATOM 1227 CA SER A 77 0.585 -8.173 -6.507 1.00 0.00 C ATOM 1228 C SER A 77 1.907 -8.909 -6.306 1.00 0.00 C ATOM 1229 O SER A 77 1.959 -10.137 -6.354 1.00 0.00 O ATOM 1230 CB SER A 77 0.723 -7.155 -7.641 1.00 0.00 C ATOM 1231 OG SER A 77 1.437 -6.008 -7.212 1.00 0.00 O ATOM 0 H SER A 77 0.101 -6.495 -5.350 1.00 0.00 H new ATOM 0 HA SER A 77 -0.181 -8.901 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.238 -7.614 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.266 -6.861 -7.993 1.00 0.00 H new ATOM 0 HG SER A 77 1.513 -5.373 -7.955 1.00 0.00 H new ATOM 1237 N ASN A 78 2.972 -8.148 -6.080 1.00 0.00 N ATOM 1238 CA ASN A 78 4.295 -8.727 -5.872 1.00 0.00 C ATOM 1239 C ASN A 78 4.199 -10.037 -5.096 1.00 0.00 C ATOM 1240 O ASN A 78 5.014 -10.942 -5.281 1.00 0.00 O ATOM 1241 CB ASN A 78 5.194 -7.742 -5.123 1.00 0.00 C ATOM 1242 CG ASN A 78 5.768 -6.675 -6.034 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.909 -6.882 -7.239 1.00 0.00 O ATOM 1244 ND2 ASN A 78 6.103 -5.525 -5.461 1.00 0.00 N ATOM 0 H ASN A 78 2.946 -7.129 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 78 4.731 -8.935 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.622 -7.266 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.010 -8.288 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.495 -4.770 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.969 -5.397 -4.458 1.00 0.00 H new ATOM 1251 N CYS A 79 3.200 -10.131 -4.225 1.00 0.00 N ATOM 1252 CA CYS A 79 2.997 -11.330 -3.420 1.00 0.00 C ATOM 1253 C CYS A 79 2.268 -12.405 -4.219 1.00 0.00 C ATOM 1254 O CYS A 79 2.636 -13.580 -4.181 1.00 0.00 O ATOM 1255 CB CYS A 79 2.206 -10.993 -2.155 1.00 0.00 C ATOM 1256 SG CYS A 79 2.335 -12.237 -0.850 1.00 0.00 S ATOM 0 H CYS A 79 2.518 -9.391 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 79 3.976 -11.716 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.554 -10.036 -1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.156 -10.866 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 79 1.247 -12.235 -0.139 1.00 0.00 H new ATOM 1262 N LEU A 80 1.230 -11.996 -4.941 1.00 0.00 N ATOM 1263 CA LEU A 80 0.446 -12.924 -5.749 1.00 0.00 C ATOM 1264 C LEU A 80 1.235 -13.382 -6.971 1.00 0.00 C ATOM 1265 O LEU A 80 0.922 -14.406 -7.579 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.864 -12.267 -6.189 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.792 -11.805 -5.066 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.812 -10.807 -5.595 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.491 -12.996 -4.426 1.00 0.00 C ATOM 0 H LEU A 80 0.912 -11.028 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 80 0.219 -13.798 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.624 -11.406 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.409 -12.973 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.190 -11.311 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.465 -10.488 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.294 -9.940 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.409 -11.277 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.147 -12.647 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.081 -13.519 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.746 -13.675 -4.012 1.00 0.00 H new ATOM 1281 N LYS A 81 2.263 -12.618 -7.325 1.00 0.00 N ATOM 1282 CA LYS A 81 3.101 -12.946 -8.473 1.00 0.00 C ATOM 1283 C LYS A 81 4.270 -13.832 -8.057 1.00 0.00 C ATOM 1284 O LYS A 81 4.680 -14.726 -8.801 1.00 0.00 O ATOM 1285 CB LYS A 81 3.625 -11.667 -9.129 1.00 0.00 C ATOM 1286 CG LYS A 81 4.932 -11.170 -8.537 1.00 0.00 C ATOM 1287 CD LYS A 81 5.513 -10.026 -9.350 1.00 0.00 C ATOM 1288 CE LYS A 81 6.442 -10.532 -10.442 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.711 -10.794 -11.713 1.00 0.00 N ATOM 0 H LYS A 81 2.536 -11.767 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 81 2.491 -13.493 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.764 -11.846 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.872 -10.885 -9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.766 -10.841 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.649 -11.990 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.704 -9.449 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.059 -9.351 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.228 -9.798 -10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.930 -11.448 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.367 -10.704 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.316 -11.756 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.939 -10.105 -11.818 1.00 0.00 H new ATOM 1303 N TYR A 82 4.802 -13.583 -6.866 1.00 0.00 N ATOM 1304 CA TYR A 82 5.925 -14.358 -6.353 1.00 0.00 C ATOM 1305 C TYR A 82 5.459 -15.715 -5.836 1.00 0.00 C ATOM 1306 O TYR A 82 5.988 -16.756 -6.226 1.00 0.00 O ATOM 1307 CB TYR A 82 6.633 -13.590 -5.235 1.00 0.00 C ATOM 1308 CG TYR A 82 8.011 -14.122 -4.913 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.972 -14.263 -5.907 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.352 -14.484 -3.616 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.233 -14.749 -5.618 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.611 -14.971 -3.318 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.546 -15.102 -4.321 1.00 0.00 C ATOM 1314 OH TYR A 82 11.801 -15.587 -4.029 1.00 0.00 O ATOM 0 H TYR A 82 4.473 -12.850 -6.237 1.00 0.00 H new ATOM 0 HA TYR A 82 6.625 -14.522 -7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.715 -12.542 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.019 -13.627 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.729 -13.988 -6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.621 -14.383 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.969 -14.852 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.860 -15.247 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 82 12.418 -15.355 -4.754 1.00 0.00 H new ATOM 1324 N ASN A 83 4.464 -15.696 -4.956 1.00 0.00 N ATOM 1325 CA ASN A 83 3.924 -16.925 -4.384 1.00 0.00 C ATOM 1326 C ASN A 83 2.585 -17.280 -5.024 1.00 0.00 C ATOM 1327 O ASN A 83 2.127 -16.605 -5.945 1.00 0.00 O ATOM 1328 CB ASN A 83 3.757 -16.777 -2.870 1.00 0.00 C ATOM 1329 CG ASN A 83 4.867 -15.958 -2.243 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.949 -16.472 -1.955 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.605 -14.673 -2.028 1.00 0.00 N ATOM 0 H ASN A 83 4.015 -14.843 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 83 4.628 -17.732 -4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.797 -16.306 -2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.735 -17.766 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.314 -14.071 -1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.695 -14.289 -2.282 1.00 0.00 H new ATOM 1338 N ALA A 84 1.963 -18.344 -4.526 1.00 0.00 N ATOM 1339 CA ALA A 84 0.675 -18.787 -5.047 1.00 0.00 C ATOM 1340 C ALA A 84 -0.357 -18.903 -3.931 1.00 0.00 C ATOM 1341 O ALA A 84 -0.069 -18.609 -2.770 1.00 0.00 O ATOM 1342 CB ALA A 84 0.828 -20.119 -5.767 1.00 0.00 C ATOM 0 H ALA A 84 2.329 -18.914 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 84 0.321 -18.040 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.141 -20.438 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.528 -20.007 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.207 -20.867 -5.071 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.563 -19.332 -4.288 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.639 -19.488 -3.318 1.00 0.00 C ATOM 1350 C LYS A 85 -2.202 -20.377 -2.157 1.00 0.00 C ATOM 1351 O LYS A 85 -2.611 -20.168 -1.015 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.879 -20.082 -3.991 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.423 -19.231 -5.124 1.00 0.00 C ATOM 1354 CD LYS A 85 -3.803 -19.614 -6.457 1.00 0.00 C ATOM 1355 CE LYS A 85 -4.765 -19.372 -7.610 1.00 0.00 C ATOM 1356 NZ LYS A 85 -4.634 -17.996 -8.162 1.00 0.00 N ATOM 0 H LYS A 85 -1.819 -19.578 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.884 -18.502 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.634 -21.072 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.659 -20.216 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.506 -19.346 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.224 -18.179 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.892 -19.037 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.515 -20.665 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.576 -20.099 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.788 -19.531 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.578 -17.569 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.057 -17.417 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.176 -18.038 -9.095 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.368 -21.366 -2.459 1.00 0.00 N ATOM 1371 CA ASP A 86 -0.873 -22.285 -1.440 1.00 0.00 C ATOM 1372 C ASP A 86 -0.232 -21.523 -0.285 1.00 0.00 C ATOM 1373 O ASP A 86 -0.679 -21.613 0.859 1.00 0.00 O ATOM 1374 CB ASP A 86 0.137 -23.258 -2.049 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.530 -24.448 -2.710 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.296 -24.239 -3.673 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.289 -25.589 -2.263 1.00 0.00 O ATOM 0 H ASP A 86 -1.021 -21.552 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.721 -22.849 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.746 -22.732 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.813 -23.611 -1.270 1.00 0.00 H new ATOM 1382 N THR A 87 0.821 -20.770 -0.592 1.00 0.00 N ATOM 1383 CA THR A 87 1.526 -19.994 0.420 1.00 0.00 C ATOM 1384 C THR A 87 0.553 -19.181 1.266 1.00 0.00 C ATOM 1385 O THR A 87 -0.636 -19.100 0.955 1.00 0.00 O ATOM 1386 CB THR A 87 2.552 -19.039 -0.219 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.891 -18.135 -1.111 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.618 -19.818 -0.976 1.00 0.00 C ATOM 0 H THR A 87 1.203 -20.682 -1.533 1.00 0.00 H new ATOM 0 HA THR A 87 2.050 -20.707 1.057 1.00 0.00 H new ATOM 0 HB THR A 87 3.035 -18.474 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.436 -18.644 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.331 -19.123 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.139 -20.484 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.148 -20.406 -1.764 1.00 0.00 H new ATOM 1396 N ILE A 88 1.064 -18.583 2.337 1.00 0.00 N ATOM 1397 CA ILE A 88 0.239 -17.775 3.227 1.00 0.00 C ATOM 1398 C ILE A 88 0.156 -16.332 2.742 1.00 0.00 C ATOM 1399 O ILE A 88 -0.916 -15.847 2.382 1.00 0.00 O ATOM 1400 CB ILE A 88 0.784 -17.791 4.668 1.00 0.00 C ATOM 1401 CG1 ILE A 88 0.285 -19.031 5.412 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.373 -16.524 5.403 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.782 -19.122 6.838 1.00 0.00 C ATOM 0 H ILE A 88 2.045 -18.643 2.609 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.758 -18.215 3.219 1.00 0.00 H new ATOM 0 HB ILE A 88 1.873 -17.828 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.805 -19.028 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.600 -19.922 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.765 -16.550 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.773 -15.655 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.715 -16.459 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.388 -20.026 7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.871 -19.157 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.445 -18.249 7.397 1.00 0.00 H new ATOM 1415 N PHE A 89 1.297 -15.651 2.734 1.00 0.00 N ATOM 1416 CA PHE A 89 1.355 -14.262 2.291 1.00 0.00 C ATOM 1417 C PHE A 89 0.429 -14.031 1.100 1.00 0.00 C ATOM 1418 O PHE A 89 -0.043 -12.918 0.875 1.00 0.00 O ATOM 1419 CB PHE A 89 2.790 -13.883 1.918 1.00 0.00 C ATOM 1420 CG PHE A 89 3.829 -14.587 2.741 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.715 -14.650 4.121 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.922 -15.187 2.136 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.671 -15.296 4.880 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.881 -15.836 2.890 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.755 -15.891 4.264 1.00 0.00 C ATOM 0 H PHE A 89 2.194 -16.038 3.029 1.00 0.00 H new ATOM 0 HA PHE A 89 1.022 -13.630 3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.956 -14.112 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.915 -12.806 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.869 -14.189 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.026 -15.147 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.571 -15.336 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.728 -16.299 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.502 -16.398 4.856 1.00 0.00 H new ATOM 1435 N TYR A 90 0.176 -15.093 0.342 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.690 -15.006 -0.827 1.00 0.00 C ATOM 1437 C TYR A 90 -2.138 -14.752 -0.416 1.00 0.00 C ATOM 1438 O TYR A 90 -2.700 -13.696 -0.705 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.601 -16.293 -1.650 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.252 -16.187 -3.010 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.630 -16.063 -3.136 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.489 -16.212 -4.172 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.229 -15.968 -4.377 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.079 -16.116 -5.417 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.449 -15.994 -5.515 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.042 -15.898 -6.753 1.00 0.00 O ATOM 0 H TYR A 90 0.558 -16.023 0.516 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.352 -14.168 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.448 -16.561 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.071 -17.104 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.244 -16.040 -2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.584 -16.308 -4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.302 -15.874 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.471 -16.136 -6.309 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.353 -15.931 -7.449 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.734 -15.727 0.262 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.115 -15.611 0.713 1.00 0.00 C ATOM 1458 C ARG A 91 -4.325 -14.315 1.490 1.00 0.00 C ATOM 1459 O ARG A 91 -5.342 -13.640 1.327 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.491 -16.809 1.586 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.728 -18.088 0.798 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.913 -19.283 1.718 1.00 0.00 C ATOM 1463 NE ARG A 91 -5.581 -20.393 1.045 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.877 -20.401 0.751 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -7.638 -19.364 1.069 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -7.413 -21.449 0.137 1.00 0.00 N ATOM 0 H ARG A 91 -2.282 -16.607 0.511 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.759 -15.596 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.697 -16.982 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.392 -16.568 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.611 -17.971 0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.884 -18.268 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.941 -19.613 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.496 -18.983 2.589 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.023 -21.207 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.229 -18.557 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.632 -19.373 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.830 -22.249 -0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.408 -21.454 -0.088 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.358 -13.975 2.336 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.437 -12.760 3.138 1.00 0.00 C ATOM 1482 C ALA A 92 -3.523 -11.522 2.251 1.00 0.00 C ATOM 1483 O ALA A 92 -4.368 -10.653 2.463 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.236 -12.663 4.068 1.00 0.00 C ATOM 0 H ALA A 92 -2.511 -14.524 2.484 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.345 -12.808 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.308 -11.751 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.219 -13.527 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.320 -12.641 3.478 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.642 -11.449 1.258 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.620 -10.318 0.339 1.00 0.00 C ATOM 1492 C ALA A 93 -3.979 -10.121 -0.323 1.00 0.00 C ATOM 1493 O ALA A 93 -4.478 -9.000 -0.420 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.541 -10.516 -0.715 1.00 0.00 C ATOM 0 H ALA A 93 -1.935 -12.160 1.070 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.392 -9.420 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.536 -9.664 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.569 -10.599 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.744 -11.427 -1.277 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.575 -11.219 -0.779 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.877 -11.168 -1.431 1.00 0.00 C ATOM 1502 C VAL A 94 -6.883 -10.389 -0.591 1.00 0.00 C ATOM 1503 O VAL A 94 -7.538 -9.469 -1.082 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.430 -12.580 -1.694 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.897 -12.516 -2.086 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.613 -13.280 -2.770 1.00 0.00 C ATOM 0 H VAL A 94 -4.176 -12.155 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.732 -10.659 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.350 -13.159 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.269 -13.524 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.469 -12.058 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.006 -11.920 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.018 -14.277 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.659 -12.704 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.576 -13.361 -2.444 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.000 -10.764 0.679 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.927 -10.101 1.588 1.00 0.00 C ATOM 1518 C ARG A 95 -7.660 -8.599 1.639 1.00 0.00 C ATOM 1519 O ARG A 95 -8.557 -7.790 1.403 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.811 -10.698 2.992 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.648 -9.971 4.033 1.00 0.00 C ATOM 1522 CD ARG A 95 -8.894 -10.842 5.255 1.00 0.00 C ATOM 1523 NE ARG A 95 -7.854 -10.674 6.267 1.00 0.00 N ATOM 1524 CZ ARG A 95 -6.703 -11.336 6.255 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -6.446 -12.206 5.288 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -5.806 -11.128 7.209 1.00 0.00 N ATOM 0 H ARG A 95 -6.465 -11.523 1.101 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.939 -10.260 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.115 -11.744 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.766 -10.679 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.141 -9.054 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.602 -9.678 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.863 -10.594 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.938 -11.888 4.951 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.021 -10.012 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.133 -12.368 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.561 -12.714 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.000 -10.459 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.922 -11.637 7.198 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.420 -8.235 1.948 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.033 -6.831 2.029 1.00 0.00 C ATOM 1542 C LEU A 96 -6.602 -6.041 0.856 1.00 0.00 C ATOM 1543 O LEU A 96 -7.175 -4.966 1.036 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.510 -6.701 2.056 1.00 0.00 C ATOM 1545 CG LEU A 96 -3.854 -6.761 3.436 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.346 -6.907 3.306 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.204 -5.522 4.247 1.00 0.00 C ATOM 0 H LEU A 96 -5.666 -8.892 2.146 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.442 -6.420 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.087 -7.495 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.238 -5.755 1.588 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.238 -7.635 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.897 -6.948 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.115 -7.825 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.943 -6.053 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.729 -5.582 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.849 -4.633 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.285 -5.462 4.372 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.440 -6.580 -0.349 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.939 -5.925 -1.552 1.00 0.00 C ATOM 1561 C ARG A 97 -8.462 -5.848 -1.538 1.00 0.00 C ATOM 1562 O ARG A 97 -9.048 -4.877 -2.018 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.467 -6.676 -2.798 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.967 -6.072 -4.100 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.541 -6.902 -5.301 1.00 0.00 C ATOM 1566 NE ARG A 97 -7.271 -6.530 -6.510 1.00 0.00 N ATOM 1567 CZ ARG A 97 -8.567 -6.762 -6.688 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -9.272 -7.362 -5.739 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -9.159 -6.394 -7.817 1.00 0.00 N ATOM 0 H ARG A 97 -5.967 -7.468 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.542 -4.910 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.377 -6.693 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.801 -7.712 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.054 -5.999 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.582 -5.057 -4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.472 -6.774 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.706 -7.958 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.757 -6.066 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.820 -7.646 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.267 -7.539 -5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.619 -5.933 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.154 -6.573 -7.953 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.097 -6.877 -0.985 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.553 -6.925 -0.910 1.00 0.00 C ATOM 1585 C GLU A 98 -11.088 -5.817 -0.007 1.00 0.00 C ATOM 1586 O GLU A 98 -11.762 -4.897 -0.470 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.014 -8.289 -0.392 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.686 -9.438 -1.329 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.693 -10.570 -1.238 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.691 -10.536 -1.987 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.482 -11.487 -0.417 1.00 0.00 O ATOM 0 H GLU A 98 -8.627 -7.688 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.949 -6.774 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.549 -8.477 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.091 -8.261 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.652 -9.068 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.692 -9.821 -1.095 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.783 -5.914 1.282 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.234 -4.921 2.251 1.00 0.00 C ATOM 1600 C GLN A 99 -10.529 -3.587 2.031 1.00 0.00 C ATOM 1601 O GLN A 99 -11.169 -2.538 1.970 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.981 -5.416 3.676 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.410 -6.856 3.905 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.458 -7.224 5.375 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.825 -6.408 6.220 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.087 -8.460 5.688 1.00 0.00 N ATOM 0 H GLN A 99 -10.226 -6.670 1.681 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.305 -4.773 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.919 -5.322 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.513 -4.771 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.394 -7.013 3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.719 -7.523 3.390 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.790 -9.104 4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.099 -8.765 6.661 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.205 -3.634 1.913 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.435 -2.422 1.701 1.00 0.00 C ATOM 1617 C GLY A 100 -9.089 -1.487 0.704 1.00 0.00 C ATOM 1618 O GLY A 100 -9.082 -0.270 0.888 1.00 0.00 O ATOM 0 H GLY A 100 -8.652 -4.490 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.309 -1.904 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.438 -2.686 1.347 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.654 -2.055 -0.357 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.307 -1.249 -1.371 1.00 0.00 C ATOM 1624 C GLY A 101 -11.238 -0.210 -0.777 1.00 0.00 C ATOM 1625 O GLY A 101 -11.236 0.947 -1.197 1.00 0.00 O ATOM 0 H GLY A 101 -9.671 -3.060 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.550 -0.750 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.872 -1.899 -2.039 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.035 -0.624 0.201 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.975 0.279 0.854 1.00 0.00 C ATOM 1631 C ALA A 102 -12.254 1.479 1.460 1.00 0.00 C ATOM 1632 O ALA A 102 -12.833 2.556 1.605 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.762 -0.461 1.925 1.00 0.00 C ATOM 0 H ALA A 102 -12.049 -1.579 0.559 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.669 0.648 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.460 0.226 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.316 -1.281 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.075 -0.859 2.672 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.987 1.285 1.813 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.186 2.351 2.403 1.00 0.00 C ATOM 1641 C VAL A 103 -9.618 3.271 1.328 1.00 0.00 C ATOM 1642 O VAL A 103 -9.588 4.491 1.491 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.026 1.783 3.242 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.165 2.909 3.792 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.561 0.912 4.368 1.00 0.00 C ATOM 0 H VAL A 103 -10.493 0.400 1.701 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.849 2.922 3.053 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.403 1.163 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.350 2.489 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.753 3.489 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.773 3.557 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.728 0.519 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.206 1.508 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.132 0.084 3.948 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.170 2.678 0.227 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.603 3.444 -0.878 1.00 0.00 C ATOM 1657 C LEU A 104 -9.700 4.135 -1.681 1.00 0.00 C ATOM 1658 O LEU A 104 -9.438 5.087 -2.417 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.785 2.530 -1.792 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.433 2.069 -1.245 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.845 0.978 -2.126 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.474 3.244 -1.136 1.00 0.00 C ATOM 0 H LEU A 104 -9.188 1.669 0.075 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.948 4.208 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.383 1.647 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.615 3.050 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.587 1.658 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.883 0.662 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.525 0.126 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.705 1.362 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.517 2.898 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.325 3.685 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.891 3.993 -0.463 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.929 3.651 -1.534 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.066 4.223 -2.245 1.00 0.00 C ATOM 1676 C ARG A 105 -12.714 5.337 -1.427 1.00 0.00 C ATOM 1677 O ARG A 105 -13.129 6.359 -1.973 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.098 3.138 -2.556 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.828 2.396 -3.856 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.099 1.779 -4.419 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.944 1.389 -5.818 1.00 0.00 N ATOM 1682 CZ ARG A 105 -13.258 0.322 -6.212 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -12.667 -0.459 -5.318 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.163 0.034 -7.504 1.00 0.00 N ATOM 0 H ARG A 105 -11.163 2.864 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.702 4.647 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.118 2.421 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.087 3.593 -2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.401 3.083 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.088 1.614 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.371 0.905 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.919 2.492 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.387 1.968 -6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.738 -0.241 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.141 -1.278 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.617 0.632 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.636 -0.785 -7.806 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.799 5.129 -0.117 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.397 6.115 0.775 1.00 0.00 C ATOM 1700 C GLN A 106 -12.499 7.340 0.914 1.00 0.00 C ATOM 1701 O GLN A 106 -12.957 8.417 1.296 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.655 5.499 2.151 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.390 5.261 2.958 1.00 0.00 C ATOM 1704 CD GLN A 106 -11.910 6.508 3.675 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -12.605 7.524 3.707 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -10.718 6.437 4.254 1.00 0.00 N ATOM 0 H GLN A 106 -12.462 4.287 0.350 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.346 6.430 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.318 6.155 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.178 4.551 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.573 4.474 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.603 4.902 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.176 5.574 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.343 7.245 4.751 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.219 7.168 0.600 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.257 8.260 0.689 1.00 0.00 C ATOM 1717 C ALA A 107 -10.109 8.970 -0.652 1.00 0.00 C ATOM 1718 O ALA A 107 -9.975 10.193 -0.706 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.909 7.740 1.165 1.00 0.00 C ATOM 0 H ALA A 107 -10.824 6.283 0.282 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.631 8.982 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.201 8.567 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.021 7.285 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.537 6.996 0.461 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.133 8.196 -1.733 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.999 8.752 -3.073 1.00 0.00 C ATOM 1727 C ARG A 108 -10.918 9.956 -3.258 1.00 0.00 C ATOM 1728 O ARG A 108 -10.504 10.992 -3.778 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.319 7.687 -4.125 1.00 0.00 C ATOM 1730 CG ARG A 108 -10.399 8.233 -5.540 1.00 0.00 C ATOM 1731 CD ARG A 108 -9.027 8.293 -6.194 1.00 0.00 C ATOM 1732 NE ARG A 108 -8.639 7.009 -6.771 1.00 0.00 N ATOM 1733 CZ ARG A 108 -7.664 6.869 -7.663 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -6.983 7.928 -8.076 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -7.370 5.667 -8.142 1.00 0.00 N ATOM 0 H ARG A 108 -10.244 7.182 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.968 9.081 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.555 6.910 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.268 7.214 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.060 7.604 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.838 9.230 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.030 9.055 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.286 8.597 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.144 6.174 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.207 8.853 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.235 7.818 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.892 4.850 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.622 5.560 -8.827 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.168 9.810 -2.829 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.146 10.885 -2.948 1.00 0.00 C ATOM 1751 C ARG A 109 -12.659 12.146 -2.242 1.00 0.00 C ATOM 1752 O ARG A 109 -12.927 13.260 -2.687 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.490 10.446 -2.363 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.548 10.523 -0.846 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.611 9.593 -0.283 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.924 10.230 -0.232 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.245 11.186 0.634 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -16.352 11.612 1.516 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.461 11.716 0.618 1.00 0.00 N ATOM 0 H ARG A 109 -12.527 8.959 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.274 11.110 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.280 11.070 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.695 9.422 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.575 10.261 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.760 11.548 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.668 8.694 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.322 9.277 0.719 1.00 0.00 H new ATOM 0 HE ARG A 109 -17.634 9.925 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.416 11.206 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.600 12.346 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.151 11.390 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -18.706 12.450 1.283 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.942 11.958 -1.137 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.419 13.082 -0.368 1.00 0.00 C ATOM 1775 C GLN A 110 -10.360 13.840 -1.164 1.00 0.00 C ATOM 1776 O GLN A 110 -10.456 15.053 -1.344 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.825 12.590 0.953 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.825 11.857 1.833 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.486 11.953 3.307 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.341 10.938 3.990 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.355 13.176 3.807 1.00 0.00 N ATOM 0 H GLN A 110 -11.711 11.041 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.245 13.761 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.986 11.927 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.426 13.443 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.820 12.268 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.860 10.808 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.484 13.989 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.126 13.302 4.793 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.351 13.115 -1.636 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.276 13.719 -2.412 1.00 0.00 C ATOM 1792 C ALA A 111 -8.829 14.517 -3.589 1.00 0.00 C ATOM 1793 O ALA A 111 -8.129 15.342 -4.175 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.315 12.647 -2.906 1.00 0.00 C ATOM 0 H ALA A 111 -9.256 12.109 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.735 14.407 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.517 13.112 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.886 12.122 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.853 11.938 -3.535 1.00 0.00 H new ATOM 1800 N GLU A 112 -10.089 14.263 -3.929 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.734 14.958 -5.038 1.00 0.00 C ATOM 1802 C GLU A 112 -11.522 16.166 -4.537 1.00 0.00 C ATOM 1803 O GLU A 112 -11.501 17.232 -5.151 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.664 14.006 -5.792 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.945 12.828 -6.428 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.654 12.307 -7.662 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.546 12.955 -8.725 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -12.317 11.253 -7.567 1.00 0.00 O ATOM 0 H GLU A 112 -10.682 13.583 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.956 15.309 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.421 13.630 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.188 14.563 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.932 13.128 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.857 12.024 -5.698 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.217 15.990 -3.419 1.00 0.00 N ATOM 1816 CA LYS A 113 -13.011 17.064 -2.833 1.00 0.00 C ATOM 1817 C LYS A 113 -12.124 18.231 -2.416 1.00 0.00 C ATOM 1818 O LYS A 113 -12.564 19.381 -2.397 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.793 16.546 -1.625 1.00 0.00 C ATOM 1820 CG LYS A 113 -13.040 16.675 -0.311 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.919 16.314 0.874 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.224 16.611 2.194 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.158 18.072 2.469 1.00 0.00 N ATOM 0 H LYS A 113 -12.247 15.113 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.713 17.417 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.733 17.092 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.045 15.498 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.165 16.025 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.677 17.696 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.853 16.873 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.178 15.256 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.756 16.113 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.215 16.199 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.818 18.228 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.505 18.523 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.105 18.488 2.363 1.00 0.00 H new ATOM 1837 N MET A 114 -10.873 17.929 -2.084 1.00 0.00 N ATOM 1838 CA MET A 114 -9.923 18.956 -1.670 1.00 0.00 C ATOM 1839 C MET A 114 -10.090 20.221 -2.507 1.00 0.00 C ATOM 1840 O MET A 114 -9.991 21.334 -1.993 1.00 0.00 O ATOM 1841 CB MET A 114 -8.490 18.435 -1.793 1.00 0.00 C ATOM 1842 CG MET A 114 -8.177 17.289 -0.845 1.00 0.00 C ATOM 1843 SD MET A 114 -7.622 17.857 0.773 1.00 0.00 S ATOM 1844 CE MET A 114 -6.798 16.387 1.383 1.00 0.00 C ATOM 0 H MET A 114 -10.493 16.982 -2.093 1.00 0.00 H new ATOM 0 HA MET A 114 -10.124 19.202 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.319 18.105 -2.818 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.797 19.254 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 114 -9.066 16.670 -0.723 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.407 16.657 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.369 16.591 2.364 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.519 15.573 1.465 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.005 16.101 0.692 1.00 0.00 H new