USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 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= 0.0228 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.36 K(o=-2.3,f=-3.8!) USER MOD Set 2.1: A 79 CYS SG : rot -146:sc= 1.28 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.157 K(o=1.9,f=0.29) USER MOD Set 2.3: A 87 THR OG1 : rot -57:sc= 0.799 USER MOD Set 3.1: A 85 LYS NZ :NH3+ -163:sc= -0.0198 (180deg=-0.198) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 56 ASN : amide:sc= -0.437 K(o=-0.43,f=-1.9) USER MOD Set 4.2: A 62 TYR OH : rot 30:sc= 0.0109 USER MOD Set 5.1: A 45 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.2) USER MOD Set 5.2: A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 6.1: A 20 GLN : amide:sc= -0.529 K(o=-1.1,f=2.3) USER MOD Set 6.2: A 29 SER OG : rot 180:sc= -0.62 USER MOD Set 7.1: A 14 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 7.2: A 18 GLN : amide:sc= -0.217 K(o=-0.22,f=0.44) USER MOD Single : A 6 SER OG : rot 30:sc= 0.342 USER MOD Single : A 15 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.313 K(o=-0.31,f=-0.97) 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= -0.76 K(o=-0.76,f=-0.19) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 147:sc= -0.0289 (180deg=-0.878) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -113:sc= -2.75 (180deg=-7!) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.145) USER MOD Single : A 55 GLN : amide:sc= -1.93 K(o=-1.9,f=-0.99) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0414 USER MOD Single : A 64 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.39) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -7.65! C(o=-7.7!,f=-14!) USER MOD Single : A 82 TYR OH : rot 56:sc= 0.0226 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 151:sc= -0.415 (180deg=-1.67!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.164 20.272 3.119 1.00 0.00 N ATOM 49 CA SER A 6 0.077 19.323 4.199 1.00 0.00 C ATOM 50 C SER A 6 -1.126 18.405 4.395 1.00 0.00 C ATOM 51 O SER A 6 -0.978 17.191 4.535 1.00 0.00 O ATOM 52 CB SER A 6 0.384 20.066 5.501 1.00 0.00 C ATOM 53 OG SER A 6 1.236 21.173 5.267 1.00 0.00 O ATOM 0 HA SER A 6 0.937 18.712 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.545 20.408 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.854 19.385 6.210 1.00 0.00 H new ATOM 0 HG SER A 6 1.082 21.519 4.363 1.00 0.00 H new ATOM 59 N GLY A 7 -2.318 18.995 4.402 1.00 0.00 N ATOM 60 CA GLY A 7 -3.529 18.216 4.582 1.00 0.00 C ATOM 61 C GLY A 7 -3.488 16.899 3.833 1.00 0.00 C ATOM 62 O GLY A 7 -3.696 15.836 4.420 1.00 0.00 O ATOM 0 H GLY A 7 -2.466 19.998 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.678 18.022 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.386 18.798 4.241 1.00 0.00 H new ATOM 66 N PHE A 8 -3.220 16.966 2.533 1.00 0.00 N ATOM 67 CA PHE A 8 -3.155 15.771 1.703 1.00 0.00 C ATOM 68 C PHE A 8 -2.238 14.723 2.328 1.00 0.00 C ATOM 69 O PHE A 8 -2.555 13.532 2.344 1.00 0.00 O ATOM 70 CB PHE A 8 -2.661 16.125 0.299 1.00 0.00 C ATOM 71 CG PHE A 8 -2.368 14.924 -0.555 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.319 13.929 -0.724 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.144 14.789 -1.189 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.052 12.823 -1.507 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.872 13.685 -1.976 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.827 12.701 -2.135 1.00 0.00 C ATOM 0 H PHE A 8 -3.044 17.837 2.032 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.159 15.354 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.412 16.739 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.758 16.730 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.279 14.020 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.393 15.555 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.800 12.054 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.086 13.593 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.617 11.838 -2.749 1.00 0.00 H new ATOM 86 N LEU A 9 -1.098 15.174 2.841 1.00 0.00 N ATOM 87 CA LEU A 9 -0.133 14.278 3.467 1.00 0.00 C ATOM 88 C LEU A 9 -0.787 13.465 4.580 1.00 0.00 C ATOM 89 O LEU A 9 -0.688 12.238 4.607 1.00 0.00 O ATOM 90 CB LEU A 9 1.045 15.076 4.028 1.00 0.00 C ATOM 91 CG LEU A 9 1.736 16.028 3.051 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.075 16.486 3.608 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.920 15.361 1.696 1.00 0.00 C ATOM 0 H LEU A 9 -0.820 16.155 2.835 1.00 0.00 H new ATOM 0 HA LEU A 9 0.233 13.589 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.692 15.656 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.787 14.373 4.406 1.00 0.00 H new ATOM 0 HG LEU A 9 1.102 16.905 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.552 17.163 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.918 17.004 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.717 15.620 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.413 16.053 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.532 14.467 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.946 15.085 1.291 1.00 0.00 H new ATOM 105 N ILE A 10 -1.457 14.157 5.495 1.00 0.00 N ATOM 106 CA ILE A 10 -2.131 13.500 6.608 1.00 0.00 C ATOM 107 C ILE A 10 -3.123 12.454 6.109 1.00 0.00 C ATOM 108 O ILE A 10 -3.077 11.294 6.519 1.00 0.00 O ATOM 109 CB ILE A 10 -2.875 14.515 7.496 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.882 15.485 8.139 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.685 13.793 8.562 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.539 16.669 7.263 1.00 0.00 C ATOM 0 H ILE A 10 -1.548 15.173 5.488 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.358 13.011 7.201 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.562 15.087 6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.298 15.848 9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.966 14.946 8.382 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.205 14.524 9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.414 13.139 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.017 13.198 9.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.831 17.313 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.093 16.316 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.446 17.232 7.040 1.00 0.00 H new ATOM 124 N LEU A 11 -4.020 12.873 5.224 1.00 0.00 N ATOM 125 CA LEU A 11 -5.024 11.973 4.667 1.00 0.00 C ATOM 126 C LEU A 11 -4.393 10.652 4.238 1.00 0.00 C ATOM 127 O LEU A 11 -5.035 9.601 4.281 1.00 0.00 O ATOM 128 CB LEU A 11 -5.721 12.629 3.474 1.00 0.00 C ATOM 129 CG LEU A 11 -6.539 11.698 2.579 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.789 11.224 3.303 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.907 12.397 1.278 1.00 0.00 C ATOM 0 H LEU A 11 -4.073 13.830 4.876 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.762 11.768 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.381 13.411 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.964 13.118 2.860 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.930 10.826 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.359 10.562 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.504 10.685 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.402 12.084 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.489 11.720 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.498 13.286 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.998 12.686 0.751 1.00 0.00 H new ATOM 143 N LEU A 12 -3.131 10.711 3.826 1.00 0.00 N ATOM 144 CA LEU A 12 -2.412 9.520 3.391 1.00 0.00 C ATOM 145 C LEU A 12 -1.876 8.740 4.588 1.00 0.00 C ATOM 146 O LEU A 12 -2.069 7.528 4.688 1.00 0.00 O ATOM 147 CB LEU A 12 -1.258 9.907 2.463 1.00 0.00 C ATOM 148 CG LEU A 12 -1.640 10.699 1.212 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.409 11.338 0.589 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.345 9.801 0.206 1.00 0.00 C ATOM 0 H LEU A 12 -2.585 11.572 3.784 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.110 8.883 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.539 10.494 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.748 8.996 2.150 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.328 11.493 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.700 11.897 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.053 12.014 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.303 10.561 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.609 10.382 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.682 8.985 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.250 9.392 0.655 1.00 0.00 H new ATOM 162 N ARG A 13 -1.206 9.443 5.494 1.00 0.00 N ATOM 163 CA ARG A 13 -0.644 8.817 6.685 1.00 0.00 C ATOM 164 C ARG A 13 -1.733 8.130 7.504 1.00 0.00 C ATOM 165 O ARG A 13 -1.506 7.079 8.103 1.00 0.00 O ATOM 166 CB ARG A 13 0.074 9.859 7.544 1.00 0.00 C ATOM 167 CG ARG A 13 1.313 10.443 6.885 1.00 0.00 C ATOM 168 CD ARG A 13 2.041 11.399 7.816 1.00 0.00 C ATOM 169 NE ARG A 13 2.930 10.697 8.736 1.00 0.00 N ATOM 170 CZ ARG A 13 3.636 11.303 9.684 1.00 0.00 C ATOM 171 NH1 ARG A 13 3.555 12.618 9.836 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.423 10.595 10.483 1.00 0.00 N ATOM 0 H ARG A 13 -1.039 10.447 5.426 1.00 0.00 H new ATOM 0 HA ARG A 13 0.075 8.063 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.620 10.668 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.358 9.402 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.985 9.636 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.028 10.968 5.973 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.619 12.110 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.312 11.976 8.386 1.00 0.00 H new ATOM 0 HE ARG A 13 3.014 9.684 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.950 13.166 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.098 13.082 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.487 9.583 10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.964 11.062 11.210 1.00 0.00 H new ATOM 186 N LYS A 14 -2.917 8.732 7.525 1.00 0.00 N ATOM 187 CA LYS A 14 -4.044 8.180 8.269 1.00 0.00 C ATOM 188 C LYS A 14 -4.666 7.005 7.520 1.00 0.00 C ATOM 189 O LYS A 14 -5.109 6.031 8.130 1.00 0.00 O ATOM 190 CB LYS A 14 -5.099 9.261 8.514 1.00 0.00 C ATOM 191 CG LYS A 14 -6.027 9.483 7.332 1.00 0.00 C ATOM 192 CD LYS A 14 -7.253 8.590 7.409 1.00 0.00 C ATOM 193 CE LYS A 14 -8.363 9.237 8.223 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.709 8.755 7.807 1.00 0.00 N ATOM 0 H LYS A 14 -3.122 9.603 7.035 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.673 7.821 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.693 8.986 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.598 10.199 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.338 10.527 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.490 9.285 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.614 8.378 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.981 7.634 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.211 9.021 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.314 10.320 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.438 9.397 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.764 8.732 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.867 7.798 8.183 1.00 0.00 H new ATOM 208 N THR A 15 -4.697 7.104 6.195 1.00 0.00 N ATOM 209 CA THR A 15 -5.265 6.050 5.364 1.00 0.00 C ATOM 210 C THR A 15 -4.365 4.819 5.344 1.00 0.00 C ATOM 211 O THR A 15 -4.846 3.685 5.355 1.00 0.00 O ATOM 212 CB THR A 15 -5.487 6.533 3.919 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.564 7.475 3.876 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.795 5.362 2.997 1.00 0.00 C ATOM 0 H THR A 15 -4.335 7.903 5.674 1.00 0.00 H new ATOM 0 HA THR A 15 -6.227 5.786 5.803 1.00 0.00 H new ATOM 0 HB THR A 15 -4.570 7.014 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.254 8.341 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.948 5.729 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.960 4.661 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.698 4.856 3.340 1.00 0.00 H new ATOM 222 N LEU A 16 -3.057 5.050 5.314 1.00 0.00 N ATOM 223 CA LEU A 16 -2.089 3.959 5.294 1.00 0.00 C ATOM 224 C LEU A 16 -2.279 3.038 6.496 1.00 0.00 C ATOM 225 O LEU A 16 -2.103 1.826 6.393 1.00 0.00 O ATOM 226 CB LEU A 16 -0.664 4.517 5.285 1.00 0.00 C ATOM 227 CG LEU A 16 0.454 3.504 5.539 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.393 2.375 4.522 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.813 4.189 5.497 1.00 0.00 C ATOM 0 H LEU A 16 -2.643 5.982 5.303 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.252 3.378 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.486 4.990 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.597 5.300 6.041 1.00 0.00 H new ATOM 0 HG LEU A 16 0.314 3.078 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.196 1.664 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.568 1.867 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.508 2.783 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.597 3.454 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.962 4.642 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.855 4.962 6.264 1.00 0.00 H new ATOM 241 N GLU A 17 -2.642 3.625 7.632 1.00 0.00 N ATOM 242 CA GLU A 17 -2.858 2.857 8.853 1.00 0.00 C ATOM 243 C GLU A 17 -4.168 2.076 8.780 1.00 0.00 C ATOM 244 O GLU A 17 -4.229 0.910 9.170 1.00 0.00 O ATOM 245 CB GLU A 17 -2.871 3.783 10.070 1.00 0.00 C ATOM 246 CG GLU A 17 -1.558 4.514 10.292 1.00 0.00 C ATOM 247 CD GLU A 17 -1.331 4.878 11.748 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.261 3.953 12.585 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.224 6.084 12.048 1.00 0.00 O ATOM 0 H GLU A 17 -2.793 4.629 7.732 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.037 2.148 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.669 4.515 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.106 3.198 10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.735 3.889 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.545 5.421 9.688 1.00 0.00 H new ATOM 256 N GLN A 18 -5.210 2.729 8.277 1.00 0.00 N ATOM 257 CA GLN A 18 -6.519 2.096 8.154 1.00 0.00 C ATOM 258 C GLN A 18 -6.409 0.751 7.444 1.00 0.00 C ATOM 259 O GLN A 18 -7.033 -0.229 7.849 1.00 0.00 O ATOM 260 CB GLN A 18 -7.481 3.011 7.395 1.00 0.00 C ATOM 261 CG GLN A 18 -7.847 4.276 8.157 1.00 0.00 C ATOM 262 CD GLN A 18 -9.139 4.899 7.665 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.228 4.527 8.105 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.026 5.853 6.749 1.00 0.00 N ATOM 0 H GLN A 18 -5.174 3.694 7.948 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.908 1.924 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.030 3.288 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.392 2.458 7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.941 4.043 9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.039 5.001 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.104 6.130 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.861 6.309 6.382 1.00 0.00 H new ATOM 273 N LEU A 19 -5.613 0.714 6.381 1.00 0.00 N ATOM 274 CA LEU A 19 -5.422 -0.512 5.612 1.00 0.00 C ATOM 275 C LEU A 19 -4.838 -1.617 6.485 1.00 0.00 C ATOM 276 O LEU A 19 -5.310 -2.753 6.463 1.00 0.00 O ATOM 277 CB LEU A 19 -4.502 -0.249 4.418 1.00 0.00 C ATOM 278 CG LEU A 19 -4.963 0.833 3.440 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.768 1.469 2.747 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.929 0.252 2.418 1.00 0.00 C ATOM 0 H LEU A 19 -5.090 1.517 6.032 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.396 -0.839 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.518 0.028 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.381 -1.181 3.866 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.485 1.607 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.115 2.236 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.114 1.921 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.218 0.706 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.246 1.036 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.433 -0.542 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.800 -0.155 2.931 1.00 0.00 H new ATOM 292 N GLN A 20 -3.809 -1.274 7.255 1.00 0.00 N ATOM 293 CA GLN A 20 -3.161 -2.237 8.137 1.00 0.00 C ATOM 294 C GLN A 20 -4.194 -3.013 8.947 1.00 0.00 C ATOM 295 O GLN A 20 -4.092 -4.230 9.098 1.00 0.00 O ATOM 296 CB GLN A 20 -2.187 -1.526 9.078 1.00 0.00 C ATOM 297 CG GLN A 20 -0.957 -0.975 8.376 1.00 0.00 C ATOM 298 CD GLN A 20 0.257 -0.920 9.282 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.729 0.159 9.642 1.00 0.00 O ATOM 300 NE2 GLN A 20 0.768 -2.087 9.658 1.00 0.00 N ATOM 0 H GLN A 20 -3.407 -0.337 7.285 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.606 -2.942 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.708 -0.708 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.871 -2.223 9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.730 -1.595 7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.174 0.026 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.344 -2.957 9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.584 -2.113 10.269 1.00 0.00 H new ATOM 309 N GLU A 21 -5.188 -2.300 9.467 1.00 0.00 N ATOM 310 CA GLU A 21 -6.240 -2.923 10.263 1.00 0.00 C ATOM 311 C GLU A 21 -6.701 -4.232 9.627 1.00 0.00 C ATOM 312 O GLU A 21 -6.909 -5.231 10.316 1.00 0.00 O ATOM 313 CB GLU A 21 -7.427 -1.971 10.416 1.00 0.00 C ATOM 314 CG GLU A 21 -7.131 -0.764 11.291 1.00 0.00 C ATOM 315 CD GLU A 21 -8.390 -0.058 11.756 1.00 0.00 C ATOM 316 OE1 GLU A 21 -9.209 -0.698 12.448 1.00 0.00 O ATOM 317 OE2 GLU A 21 -8.555 1.136 11.427 1.00 0.00 O ATOM 0 H GLU A 21 -5.287 -1.291 9.352 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.831 -3.143 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.735 -1.627 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.269 -2.519 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.555 -1.082 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.509 -0.062 10.736 1.00 0.00 H new ATOM 324 N LYS A 22 -6.861 -4.217 8.308 1.00 0.00 N ATOM 325 CA LYS A 22 -7.298 -5.400 7.576 1.00 0.00 C ATOM 326 C LYS A 22 -6.310 -6.549 7.761 1.00 0.00 C ATOM 327 O LYS A 22 -6.704 -7.712 7.836 1.00 0.00 O ATOM 328 CB LYS A 22 -7.449 -5.078 6.088 1.00 0.00 C ATOM 329 CG LYS A 22 -8.493 -4.013 5.800 1.00 0.00 C ATOM 330 CD LYS A 22 -9.817 -4.333 6.472 1.00 0.00 C ATOM 331 CE LYS A 22 -10.905 -3.355 6.053 1.00 0.00 C ATOM 332 NZ LYS A 22 -12.263 -3.957 6.166 1.00 0.00 N ATOM 0 H LYS A 22 -6.694 -3.398 7.724 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.265 -5.707 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.487 -4.747 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.714 -5.990 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.132 -3.045 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.641 -3.930 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.120 -5.348 6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.694 -4.301 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.850 -2.462 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.732 -3.038 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.912 -3.475 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.216 -4.968 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.611 -3.849 7.140 1.00 0.00 H new ATOM 346 N ASP A 23 -5.027 -6.214 7.834 1.00 0.00 N ATOM 347 CA ASP A 23 -3.983 -7.217 8.013 1.00 0.00 C ATOM 348 C ASP A 23 -3.792 -7.545 9.490 1.00 0.00 C ATOM 349 O ASP A 23 -3.008 -6.896 10.185 1.00 0.00 O ATOM 350 CB ASP A 23 -2.667 -6.726 7.410 1.00 0.00 C ATOM 351 CG ASP A 23 -1.719 -7.864 7.083 1.00 0.00 C ATOM 352 OD1 ASP A 23 -2.172 -8.852 6.469 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.527 -7.766 7.441 1.00 0.00 O ATOM 0 H ASP A 23 -4.684 -5.255 7.772 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.293 -8.125 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.876 -6.159 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.183 -6.043 8.108 1.00 0.00 H new ATOM 358 N THR A 24 -4.513 -8.554 9.966 1.00 0.00 N ATOM 359 CA THR A 24 -4.425 -8.966 11.361 1.00 0.00 C ATOM 360 C THR A 24 -3.123 -9.712 11.632 1.00 0.00 C ATOM 361 O THR A 24 -2.574 -9.643 12.731 1.00 0.00 O ATOM 362 CB THR A 24 -5.610 -9.866 11.757 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.604 -11.061 10.967 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.931 -9.135 11.571 1.00 0.00 C ATOM 0 H THR A 24 -5.165 -9.102 9.405 1.00 0.00 H new ATOM 0 HA THR A 24 -4.452 -8.057 11.962 1.00 0.00 H new ATOM 0 HB THR A 24 -5.503 -10.127 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.360 -11.628 11.226 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.753 -9.791 11.857 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.944 -8.243 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.043 -8.847 10.526 1.00 0.00 H new ATOM 372 N GLY A 25 -2.632 -10.424 10.622 1.00 0.00 N ATOM 373 CA GLY A 25 -1.398 -11.171 10.772 1.00 0.00 C ATOM 374 C GLY A 25 -0.170 -10.288 10.673 1.00 0.00 C ATOM 375 O GLY A 25 0.932 -10.702 11.034 1.00 0.00 O ATOM 0 H GLY A 25 -3.068 -10.496 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.399 -11.679 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.349 -11.944 10.005 1.00 0.00 H new ATOM 379 N ASN A 26 -0.358 -9.068 10.180 1.00 0.00 N ATOM 380 CA ASN A 26 0.745 -8.125 10.033 1.00 0.00 C ATOM 381 C ASN A 26 1.883 -8.740 9.226 1.00 0.00 C ATOM 382 O ASN A 26 3.058 -8.530 9.530 1.00 0.00 O ATOM 383 CB ASN A 26 1.256 -7.687 11.406 1.00 0.00 C ATOM 384 CG ASN A 26 0.132 -7.478 12.403 1.00 0.00 C ATOM 385 OD1 ASN A 26 -1.005 -7.195 12.023 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.446 -7.616 13.686 1.00 0.00 N ATOM 0 H ASN A 26 -1.263 -8.709 9.876 1.00 0.00 H new ATOM 0 HA ASN A 26 0.374 -7.252 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.944 -8.439 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.822 -6.761 11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.268 -7.487 14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.401 -7.851 13.955 1.00 0.00 H new ATOM 393 N ILE A 27 1.527 -9.503 8.196 1.00 0.00 N ATOM 394 CA ILE A 27 2.519 -10.147 7.345 1.00 0.00 C ATOM 395 C ILE A 27 3.247 -9.126 6.479 1.00 0.00 C ATOM 396 O ILE A 27 4.462 -9.205 6.295 1.00 0.00 O ATOM 397 CB ILE A 27 1.874 -11.209 6.435 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.143 -12.257 7.277 1.00 0.00 C ATOM 399 CG2 ILE A 27 2.930 -11.868 5.559 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.274 -13.189 6.460 1.00 0.00 C ATOM 0 H ILE A 27 0.560 -9.689 7.932 1.00 0.00 H new ATOM 0 HA ILE A 27 3.235 -10.633 8.007 1.00 0.00 H new ATOM 0 HB ILE A 27 1.147 -10.719 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.877 -12.846 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.523 -11.750 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.459 -12.616 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.410 -11.112 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.678 -12.348 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.214 -13.905 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.483 -12.610 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.892 -13.724 5.739 1.00 0.00 H new ATOM 412 N PHE A 28 2.497 -8.166 5.948 1.00 0.00 N ATOM 413 CA PHE A 28 3.071 -7.127 5.100 1.00 0.00 C ATOM 414 C PHE A 28 3.450 -5.900 5.925 1.00 0.00 C ATOM 415 O PHE A 28 4.063 -4.962 5.416 1.00 0.00 O ATOM 416 CB PHE A 28 2.082 -6.731 4.002 1.00 0.00 C ATOM 417 CG PHE A 28 1.299 -7.889 3.455 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.179 -8.361 4.122 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.681 -8.506 2.275 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.544 -9.427 3.620 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.960 -9.572 1.769 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.153 -10.032 2.442 1.00 0.00 C ATOM 0 H PHE A 28 1.490 -8.086 6.090 1.00 0.00 H new ATOM 0 HA PHE A 28 3.974 -7.527 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.389 -5.989 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.627 -6.254 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.132 -7.891 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.552 -8.150 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.414 -9.786 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.268 -10.044 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.718 -10.864 2.048 1.00 0.00 H new ATOM 432 N SER A 29 3.082 -5.916 7.202 1.00 0.00 N ATOM 433 CA SER A 29 3.379 -4.805 8.097 1.00 0.00 C ATOM 434 C SER A 29 4.878 -4.522 8.133 1.00 0.00 C ATOM 435 O SER A 29 5.312 -3.484 8.633 1.00 0.00 O ATOM 436 CB SER A 29 2.873 -5.108 9.509 1.00 0.00 C ATOM 437 OG SER A 29 2.563 -3.915 10.208 1.00 0.00 O ATOM 0 H SER A 29 2.577 -6.687 7.640 1.00 0.00 H new ATOM 0 HA SER A 29 2.868 -3.920 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.987 -5.741 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.630 -5.668 10.058 1.00 0.00 H new ATOM 0 HG SER A 29 2.241 -4.137 11.107 1.00 0.00 H new ATOM 443 N GLU A 30 5.663 -5.453 7.601 1.00 0.00 N ATOM 444 CA GLU A 30 7.113 -5.304 7.573 1.00 0.00 C ATOM 445 C GLU A 30 7.689 -5.835 6.263 1.00 0.00 C ATOM 446 O GLU A 30 7.127 -6.726 5.624 1.00 0.00 O ATOM 447 CB GLU A 30 7.747 -6.039 8.756 1.00 0.00 C ATOM 448 CG GLU A 30 7.065 -5.753 10.084 1.00 0.00 C ATOM 449 CD GLU A 30 7.924 -6.137 11.274 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.212 -7.342 11.432 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.308 -5.234 12.046 1.00 0.00 O ATOM 0 H GLU A 30 5.319 -6.318 7.184 1.00 0.00 H new ATOM 0 HA GLU A 30 7.345 -4.242 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.717 -7.112 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.797 -5.757 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.822 -4.692 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.122 -6.299 10.129 1.00 0.00 H new ATOM 458 N PRO A 31 8.837 -5.277 5.852 1.00 0.00 N ATOM 459 CA PRO A 31 9.515 -5.678 4.615 1.00 0.00 C ATOM 460 C PRO A 31 10.115 -7.076 4.711 1.00 0.00 C ATOM 461 O PRO A 31 10.498 -7.526 5.792 1.00 0.00 O ATOM 462 CB PRO A 31 10.620 -4.631 4.461 1.00 0.00 C ATOM 463 CG PRO A 31 10.883 -4.150 5.846 1.00 0.00 C ATOM 464 CD PRO A 31 9.562 -4.210 6.563 1.00 0.00 C ATOM 0 HA PRO A 31 8.829 -5.721 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.516 -5.064 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.304 -3.814 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.625 -4.776 6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.277 -3.134 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.689 -4.445 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.032 -3.259 6.509 1.00 0.00 H new ATOM 472 N VAL A 32 10.195 -7.761 3.575 1.00 0.00 N ATOM 473 CA VAL A 32 10.750 -9.108 3.530 1.00 0.00 C ATOM 474 C VAL A 32 12.275 -9.074 3.541 1.00 0.00 C ATOM 475 O VAL A 32 12.913 -8.430 2.708 1.00 0.00 O ATOM 476 CB VAL A 32 10.274 -9.870 2.280 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.870 -11.270 2.248 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.754 -9.928 2.239 1.00 0.00 C ATOM 0 H VAL A 32 9.882 -7.404 2.672 1.00 0.00 H new ATOM 0 HA VAL A 32 10.394 -9.627 4.420 1.00 0.00 H new ATOM 0 HB VAL A 32 10.619 -9.334 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.522 -11.793 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.958 -11.202 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.558 -11.819 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.434 -10.470 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.385 -10.440 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.352 -8.915 2.211 1.00 0.00 H new ATOM 488 N PRO A 33 12.875 -9.785 4.508 1.00 0.00 N ATOM 489 CA PRO A 33 14.333 -9.854 4.650 1.00 0.00 C ATOM 490 C PRO A 33 14.989 -10.645 3.525 1.00 0.00 C ATOM 491 O PRO A 33 14.468 -11.674 3.090 1.00 0.00 O ATOM 492 CB PRO A 33 14.525 -10.569 5.990 1.00 0.00 C ATOM 493 CG PRO A 33 13.283 -11.372 6.171 1.00 0.00 C ATOM 494 CD PRO A 33 12.177 -10.576 5.535 1.00 0.00 C ATOM 0 HA PRO A 33 14.794 -8.867 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.410 -11.206 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.658 -9.856 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.379 -12.351 5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.081 -11.545 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.417 -11.223 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.673 -9.938 6.260 1.00 0.00 H new ATOM 502 N LEU A 34 16.134 -10.161 3.057 1.00 0.00 N ATOM 503 CA LEU A 34 16.862 -10.825 1.981 1.00 0.00 C ATOM 504 C LEU A 34 17.638 -12.028 2.510 1.00 0.00 C ATOM 505 O LEU A 34 17.865 -12.999 1.789 1.00 0.00 O ATOM 506 CB LEU A 34 17.820 -9.843 1.305 1.00 0.00 C ATOM 507 CG LEU A 34 17.170 -8.694 0.534 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.231 -7.789 -0.071 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.246 -9.233 -0.548 1.00 0.00 C ATOM 0 H LEU A 34 16.578 -9.312 3.405 1.00 0.00 H new ATOM 0 HA LEU A 34 16.136 -11.178 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.472 -9.419 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.456 -10.401 0.618 1.00 0.00 H new ATOM 0 HG LEU A 34 16.575 -8.105 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.749 -6.977 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.852 -7.375 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.854 -8.365 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.792 -8.401 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.819 -9.846 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.464 -9.839 -0.090 1.00 0.00 H new ATOM 521 N SER A 35 18.041 -11.955 3.775 1.00 0.00 N ATOM 522 CA SER A 35 18.792 -13.037 4.400 1.00 0.00 C ATOM 523 C SER A 35 18.079 -14.373 4.214 1.00 0.00 C ATOM 524 O SER A 35 18.718 -15.411 4.045 1.00 0.00 O ATOM 525 CB SER A 35 18.989 -12.755 5.890 1.00 0.00 C ATOM 526 OG SER A 35 17.756 -12.796 6.585 1.00 0.00 O ATOM 0 H SER A 35 17.860 -11.159 4.386 1.00 0.00 H new ATOM 0 HA SER A 35 19.767 -13.095 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.674 -13.489 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.451 -11.776 6.020 1.00 0.00 H new ATOM 0 HG SER A 35 17.910 -12.614 7.536 1.00 0.00 H new ATOM 532 N GLU A 36 16.751 -14.337 4.248 1.00 0.00 N ATOM 533 CA GLU A 36 15.949 -15.545 4.085 1.00 0.00 C ATOM 534 C GLU A 36 15.569 -15.751 2.621 1.00 0.00 C ATOM 535 O GLU A 36 15.384 -16.881 2.170 1.00 0.00 O ATOM 536 CB GLU A 36 14.687 -15.467 4.946 1.00 0.00 C ATOM 537 CG GLU A 36 13.993 -16.805 5.130 1.00 0.00 C ATOM 538 CD GLU A 36 13.252 -16.901 6.449 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.123 -16.372 6.536 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.800 -17.506 7.394 1.00 0.00 O ATOM 0 H GLU A 36 16.207 -13.485 4.387 1.00 0.00 H new ATOM 0 HA GLU A 36 16.548 -16.395 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.949 -15.066 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.989 -14.765 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.291 -16.962 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.732 -17.604 5.074 1.00 0.00 H new ATOM 547 N VAL A 37 15.454 -14.650 1.885 1.00 0.00 N ATOM 548 CA VAL A 37 15.096 -14.709 0.473 1.00 0.00 C ATOM 549 C VAL A 37 16.159 -14.041 -0.392 1.00 0.00 C ATOM 550 O VAL A 37 16.076 -12.856 -0.716 1.00 0.00 O ATOM 551 CB VAL A 37 13.737 -14.033 0.210 1.00 0.00 C ATOM 552 CG1 VAL A 37 13.129 -14.543 -1.088 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.792 -14.265 1.379 1.00 0.00 C ATOM 0 H VAL A 37 15.604 -13.707 2.243 1.00 0.00 H new ATOM 0 HA VAL A 37 15.026 -15.764 0.208 1.00 0.00 H new ATOM 0 HB VAL A 37 13.898 -12.960 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.169 -14.054 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.801 -14.320 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.980 -15.621 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.837 -13.781 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.635 -15.335 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.226 -13.846 2.287 1.00 0.00 H new ATOM 563 N PRO A 38 17.183 -14.818 -0.775 1.00 0.00 N ATOM 564 CA PRO A 38 18.283 -14.323 -1.610 1.00 0.00 C ATOM 565 C PRO A 38 17.840 -14.032 -3.039 1.00 0.00 C ATOM 566 O PRO A 38 18.510 -13.302 -3.770 1.00 0.00 O ATOM 567 CB PRO A 38 19.292 -15.474 -1.586 1.00 0.00 C ATOM 568 CG PRO A 38 18.473 -16.688 -1.313 1.00 0.00 C ATOM 569 CD PRO A 38 17.346 -16.238 -0.425 1.00 0.00 C ATOM 0 HA PRO A 38 18.684 -13.379 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.820 -15.558 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 20.047 -15.323 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 38 18.092 -17.118 -2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.069 -17.459 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.435 -16.806 -0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.589 -16.367 0.630 1.00 0.00 H new ATOM 577 N ASP A 39 16.708 -14.605 -3.432 1.00 0.00 N ATOM 578 CA ASP A 39 16.176 -14.405 -4.774 1.00 0.00 C ATOM 579 C ASP A 39 14.840 -13.669 -4.725 1.00 0.00 C ATOM 580 O ASP A 39 13.969 -13.887 -5.567 1.00 0.00 O ATOM 581 CB ASP A 39 16.005 -15.750 -5.483 1.00 0.00 C ATOM 582 CG ASP A 39 17.288 -16.229 -6.133 1.00 0.00 C ATOM 583 OD1 ASP A 39 18.140 -15.379 -6.461 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.439 -17.457 -6.312 1.00 0.00 O ATOM 0 H ASP A 39 16.141 -15.212 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 39 16.886 -13.795 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.665 -16.496 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.228 -15.661 -6.242 1.00 0.00 H new ATOM 589 N TYR A 40 14.688 -12.797 -3.735 1.00 0.00 N ATOM 590 CA TYR A 40 13.459 -12.030 -3.574 1.00 0.00 C ATOM 591 C TYR A 40 13.182 -11.177 -4.808 1.00 0.00 C ATOM 592 O TYR A 40 12.134 -11.301 -5.442 1.00 0.00 O ATOM 593 CB TYR A 40 13.547 -11.139 -2.334 1.00 0.00 C ATOM 594 CG TYR A 40 12.300 -10.320 -2.086 1.00 0.00 C ATOM 595 CD1 TYR A 40 11.043 -10.820 -2.404 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.379 -9.049 -1.531 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.901 -10.075 -2.180 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.242 -8.298 -1.303 1.00 0.00 C ATOM 599 CZ TYR A 40 10.006 -8.815 -1.629 1.00 0.00 C ATOM 600 OH TYR A 40 8.871 -8.071 -1.403 1.00 0.00 O ATOM 0 H TYR A 40 15.401 -12.604 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 40 12.636 -12.734 -3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.741 -11.763 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.398 -10.466 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.957 -11.807 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.345 -8.641 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.932 -10.477 -2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.321 -7.311 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 40 9.118 -7.208 -1.010 1.00 0.00 H new ATOM 610 N LEU A 41 14.131 -10.311 -5.145 1.00 0.00 N ATOM 611 CA LEU A 41 13.993 -9.436 -6.303 1.00 0.00 C ATOM 612 C LEU A 41 14.046 -10.238 -7.600 1.00 0.00 C ATOM 613 O LEU A 41 13.401 -9.883 -8.587 1.00 0.00 O ATOM 614 CB LEU A 41 15.096 -8.375 -6.302 1.00 0.00 C ATOM 615 CG LEU A 41 15.384 -7.710 -4.955 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.680 -6.917 -5.019 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.227 -6.811 -4.546 1.00 0.00 C ATOM 0 H LEU A 41 15.005 -10.196 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 41 13.023 -8.943 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.016 -8.835 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.827 -7.599 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 41 15.495 -8.490 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.869 -6.451 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.504 -7.586 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.597 -6.145 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.449 -6.346 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.084 -6.036 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.317 -7.405 -4.460 1.00 0.00 H new ATOM 629 N ASP A 42 14.815 -11.320 -7.589 1.00 0.00 N ATOM 630 CA ASP A 42 14.950 -12.175 -8.763 1.00 0.00 C ATOM 631 C ASP A 42 13.622 -12.289 -9.506 1.00 0.00 C ATOM 632 O ASP A 42 13.592 -12.377 -10.735 1.00 0.00 O ATOM 633 CB ASP A 42 15.441 -13.565 -8.355 1.00 0.00 C ATOM 634 CG ASP A 42 15.959 -14.365 -9.534 1.00 0.00 C ATOM 635 OD1 ASP A 42 15.250 -14.436 -10.559 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.073 -14.922 -9.431 1.00 0.00 O ATOM 0 H ASP A 42 15.355 -11.627 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 42 15.683 -11.721 -9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.232 -13.464 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.626 -14.110 -7.880 1.00 0.00 H new ATOM 641 N HIS A 43 12.526 -12.290 -8.754 1.00 0.00 N ATOM 642 CA HIS A 43 11.196 -12.394 -9.342 1.00 0.00 C ATOM 643 C HIS A 43 10.426 -11.087 -9.179 1.00 0.00 C ATOM 644 O HIS A 43 9.619 -10.721 -10.034 1.00 0.00 O ATOM 645 CB HIS A 43 10.418 -13.541 -8.696 1.00 0.00 C ATOM 646 CG HIS A 43 11.033 -14.887 -8.928 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.529 -15.800 -9.831 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.118 -15.473 -8.369 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.276 -16.889 -9.817 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.248 -16.716 -8.938 1.00 0.00 N ATOM 0 H HIS A 43 12.533 -12.220 -7.736 1.00 0.00 H new ATOM 0 HA HIS A 43 11.312 -12.597 -10.407 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.348 -13.363 -7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.400 -13.544 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.761 -15.043 -7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.119 -17.771 -10.421 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.976 -17.395 -8.718 1.00 0.00 H new ATOM 659 N ILE A 44 10.682 -10.389 -8.078 1.00 0.00 N ATOM 660 CA ILE A 44 10.013 -9.123 -7.804 1.00 0.00 C ATOM 661 C ILE A 44 10.809 -7.949 -8.363 1.00 0.00 C ATOM 662 O ILE A 44 12.000 -7.804 -8.086 1.00 0.00 O ATOM 663 CB ILE A 44 9.801 -8.913 -6.294 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.938 -10.037 -5.716 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.161 -7.559 -6.031 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.770 -10.416 -6.600 1.00 0.00 C ATOM 0 H ILE A 44 11.348 -10.678 -7.361 1.00 0.00 H new ATOM 0 HA ILE A 44 9.041 -9.167 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 44 10.773 -8.935 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.561 -10.916 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.561 -9.730 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.018 -7.426 -4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.810 -6.770 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.196 -7.509 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.202 -11.218 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.125 -9.549 -6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.141 -10.754 -7.568 1.00 0.00 H new ATOM 678 N LYS A 45 10.143 -7.109 -9.149 1.00 0.00 N ATOM 679 CA LYS A 45 10.787 -5.945 -9.745 1.00 0.00 C ATOM 680 C LYS A 45 10.747 -4.754 -8.793 1.00 0.00 C ATOM 681 O LYS A 45 11.727 -4.023 -8.653 1.00 0.00 O ATOM 682 CB LYS A 45 10.104 -5.579 -11.065 1.00 0.00 C ATOM 683 CG LYS A 45 10.441 -6.523 -12.206 1.00 0.00 C ATOM 684 CD LYS A 45 9.629 -7.804 -12.127 1.00 0.00 C ATOM 685 CE LYS A 45 10.366 -8.972 -12.765 1.00 0.00 C ATOM 686 NZ LYS A 45 9.571 -10.230 -12.704 1.00 0.00 N ATOM 0 H LYS A 45 9.157 -7.213 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 45 11.829 -6.197 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.024 -5.573 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.393 -4.566 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.250 -6.028 -13.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.504 -6.763 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.413 -8.035 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.671 -7.660 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.591 -8.735 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.320 -9.120 -12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.100 -10.998 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.392 -10.480 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.665 -10.092 -13.195 1.00 0.00 H new ATOM 700 N LYS A 46 9.606 -4.566 -8.136 1.00 0.00 N ATOM 701 CA LYS A 46 9.438 -3.466 -7.193 1.00 0.00 C ATOM 702 C LYS A 46 8.811 -3.955 -5.893 1.00 0.00 C ATOM 703 O LYS A 46 7.592 -3.939 -5.718 1.00 0.00 O ATOM 704 CB LYS A 46 8.569 -2.368 -7.810 1.00 0.00 C ATOM 705 CG LYS A 46 8.413 -1.145 -6.923 1.00 0.00 C ATOM 706 CD LYS A 46 8.003 0.078 -7.725 1.00 0.00 C ATOM 707 CE LYS A 46 7.198 1.055 -6.881 1.00 0.00 C ATOM 708 NZ LYS A 46 6.744 2.230 -7.674 1.00 0.00 N ATOM 0 H LYS A 46 8.784 -5.161 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 46 10.424 -3.058 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.005 -2.063 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.582 -2.777 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.666 -1.345 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.353 -0.945 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.892 0.576 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.412 -0.232 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.332 0.544 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.805 1.396 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.199 2.872 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.571 2.733 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.144 1.908 -8.460 1.00 0.00 H new ATOM 722 N PRO A 47 9.660 -4.401 -4.956 1.00 0.00 N ATOM 723 CA PRO A 47 9.211 -4.901 -3.653 1.00 0.00 C ATOM 724 C PRO A 47 8.660 -3.792 -2.765 1.00 0.00 C ATOM 725 O PRO A 47 9.411 -2.970 -2.242 1.00 0.00 O ATOM 726 CB PRO A 47 10.484 -5.492 -3.042 1.00 0.00 C ATOM 727 CG PRO A 47 11.598 -4.754 -3.700 1.00 0.00 C ATOM 728 CD PRO A 47 11.126 -4.449 -5.095 1.00 0.00 C ATOM 0 HA PRO A 47 8.396 -5.618 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.504 -5.357 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.553 -6.563 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.833 -3.838 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.507 -5.355 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.527 -3.502 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.438 -5.218 -5.802 1.00 0.00 H new ATOM 736 N MET A 48 7.341 -3.775 -2.597 1.00 0.00 N ATOM 737 CA MET A 48 6.689 -2.767 -1.769 1.00 0.00 C ATOM 738 C MET A 48 6.170 -3.380 -0.473 1.00 0.00 C ATOM 739 O MET A 48 5.927 -4.584 -0.399 1.00 0.00 O ATOM 740 CB MET A 48 5.536 -2.114 -2.536 1.00 0.00 C ATOM 741 CG MET A 48 5.053 -0.814 -1.915 1.00 0.00 C ATOM 742 SD MET A 48 6.379 0.390 -1.704 1.00 0.00 S ATOM 743 CE MET A 48 6.782 0.752 -3.411 1.00 0.00 C ATOM 0 H MET A 48 6.703 -4.448 -3.023 1.00 0.00 H new ATOM 0 HA MET A 48 7.428 -2.005 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.855 -1.921 -3.560 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.702 -2.814 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.273 -0.383 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.601 -1.025 -0.946 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.096 1.792 -3.498 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.591 0.100 -3.740 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.905 0.584 -4.035 1.00 0.00 H new ATOM 753 N ASP A 49 6.003 -2.544 0.546 1.00 0.00 N ATOM 754 CA ASP A 49 5.512 -3.004 1.840 1.00 0.00 C ATOM 755 C ASP A 49 4.811 -1.874 2.589 1.00 0.00 C ATOM 756 O ASP A 49 4.893 -0.711 2.195 1.00 0.00 O ATOM 757 CB ASP A 49 6.666 -3.552 2.682 1.00 0.00 C ATOM 758 CG ASP A 49 6.944 -5.015 2.400 1.00 0.00 C ATOM 759 OD1 ASP A 49 6.131 -5.865 2.818 1.00 0.00 O ATOM 760 OD2 ASP A 49 7.977 -5.311 1.761 1.00 0.00 O ATOM 0 H ASP A 49 6.200 -1.544 0.501 1.00 0.00 H new ATOM 0 HA ASP A 49 4.790 -3.801 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.566 -2.969 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.432 -3.427 3.739 1.00 0.00 H new ATOM 765 N PHE A 50 4.122 -2.226 3.669 1.00 0.00 N ATOM 766 CA PHE A 50 3.404 -1.242 4.471 1.00 0.00 C ATOM 767 C PHE A 50 4.359 -0.185 5.018 1.00 0.00 C ATOM 768 O PHE A 50 4.010 0.991 5.118 1.00 0.00 O ATOM 769 CB PHE A 50 2.672 -1.930 5.625 1.00 0.00 C ATOM 770 CG PHE A 50 1.291 -2.397 5.265 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.387 -1.533 4.668 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.896 -3.700 5.524 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.885 -1.960 4.336 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.374 -4.133 5.193 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.267 -3.262 4.600 1.00 0.00 C ATOM 0 H PHE A 50 4.045 -3.185 4.009 1.00 0.00 H new ATOM 0 HA PHE A 50 2.674 -0.749 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.260 -2.784 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.606 -1.240 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.680 -0.514 4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.589 -4.385 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.580 -1.277 3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.668 -5.152 5.398 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.261 -3.597 4.343 1.00 0.00 H new ATOM 785 N PHE A 51 5.567 -0.614 5.370 1.00 0.00 N ATOM 786 CA PHE A 51 6.573 0.293 5.908 1.00 0.00 C ATOM 787 C PHE A 51 7.290 1.038 4.785 1.00 0.00 C ATOM 788 O PHE A 51 7.406 2.264 4.812 1.00 0.00 O ATOM 789 CB PHE A 51 7.589 -0.479 6.753 1.00 0.00 C ATOM 790 CG PHE A 51 8.828 0.308 7.070 1.00 0.00 C ATOM 791 CD1 PHE A 51 8.809 1.289 8.048 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.011 0.067 6.390 1.00 0.00 C ATOM 793 CE1 PHE A 51 9.947 2.016 8.343 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.152 0.790 6.682 1.00 0.00 C ATOM 795 CZ PHE A 51 11.121 1.767 7.658 1.00 0.00 C ATOM 0 H PHE A 51 5.872 -1.584 5.292 1.00 0.00 H new ATOM 0 HA PHE A 51 6.066 1.023 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.115 -0.786 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.872 -1.389 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.894 1.488 8.586 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.042 -0.694 5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.919 2.778 9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.069 0.591 6.147 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.011 2.334 7.885 1.00 0.00 H new ATOM 805 N THR A 52 7.771 0.288 3.799 1.00 0.00 N ATOM 806 CA THR A 52 8.479 0.874 2.668 1.00 0.00 C ATOM 807 C THR A 52 7.679 2.017 2.052 1.00 0.00 C ATOM 808 O THR A 52 8.177 3.135 1.920 1.00 0.00 O ATOM 809 CB THR A 52 8.770 -0.177 1.581 1.00 0.00 C ATOM 810 OG1 THR A 52 9.824 -1.046 2.009 1.00 0.00 O ATOM 811 CG2 THR A 52 9.159 0.492 0.271 1.00 0.00 C ATOM 0 H THR A 52 7.683 -0.727 3.761 1.00 0.00 H new ATOM 0 HA THR A 52 9.424 1.259 3.052 1.00 0.00 H new ATOM 0 HB THR A 52 7.863 -0.759 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.002 -1.712 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.360 -0.271 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.343 1.130 -0.068 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.053 1.096 0.423 1.00 0.00 H new ATOM 819 N MET A 53 6.437 1.730 1.678 1.00 0.00 N ATOM 820 CA MET A 53 5.567 2.735 1.077 1.00 0.00 C ATOM 821 C MET A 53 5.482 3.976 1.960 1.00 0.00 C ATOM 822 O MET A 53 5.516 5.104 1.467 1.00 0.00 O ATOM 823 CB MET A 53 4.168 2.160 0.850 1.00 0.00 C ATOM 824 CG MET A 53 3.369 1.980 2.131 1.00 0.00 C ATOM 825 SD MET A 53 1.768 1.202 1.847 1.00 0.00 S ATOM 826 CE MET A 53 0.908 2.506 0.972 1.00 0.00 C ATOM 0 H MET A 53 6.010 0.809 1.780 1.00 0.00 H new ATOM 0 HA MET A 53 5.994 3.022 0.116 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.618 2.819 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.257 1.196 0.349 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.944 1.374 2.831 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.218 2.952 2.600 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.094 2.883 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.603 3.317 0.753 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.503 2.113 0.039 1.00 0.00 H new ATOM 836 N LYS A 54 5.372 3.762 3.266 1.00 0.00 N ATOM 837 CA LYS A 54 5.283 4.863 4.218 1.00 0.00 C ATOM 838 C LYS A 54 6.502 5.775 4.111 1.00 0.00 C ATOM 839 O LYS A 54 6.368 6.995 4.022 1.00 0.00 O ATOM 840 CB LYS A 54 5.162 4.323 5.645 1.00 0.00 C ATOM 841 CG LYS A 54 5.155 5.408 6.708 1.00 0.00 C ATOM 842 CD LYS A 54 4.044 6.417 6.468 1.00 0.00 C ATOM 843 CE LYS A 54 4.137 7.589 7.432 1.00 0.00 C ATOM 844 NZ LYS A 54 3.953 7.159 8.847 1.00 0.00 N ATOM 0 H LYS A 54 5.342 2.835 3.690 1.00 0.00 H new ATOM 0 HA LYS A 54 4.393 5.445 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.245 3.740 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.991 3.642 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.030 4.954 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.117 5.920 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.099 6.783 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.076 5.928 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.107 8.073 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.380 8.331 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.736 7.988 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.169 6.479 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.826 6.710 9.190 1.00 0.00 H new ATOM 858 N GLN A 55 7.687 5.174 4.117 1.00 0.00 N ATOM 859 CA GLN A 55 8.928 5.934 4.019 1.00 0.00 C ATOM 860 C GLN A 55 8.871 6.923 2.861 1.00 0.00 C ATOM 861 O GLN A 55 9.248 8.086 3.005 1.00 0.00 O ATOM 862 CB GLN A 55 10.116 4.988 3.839 1.00 0.00 C ATOM 863 CG GLN A 55 10.293 4.008 4.987 1.00 0.00 C ATOM 864 CD GLN A 55 11.036 4.613 6.162 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.223 4.926 6.066 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.339 4.782 7.279 1.00 0.00 N ATOM 0 H GLN A 55 7.814 4.165 4.189 1.00 0.00 H new ATOM 0 HA GLN A 55 9.055 6.495 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.988 4.429 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.026 5.578 3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.314 3.663 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.835 3.132 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.357 4.508 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.785 5.186 8.103 1.00 0.00 H new ATOM 875 N ASN A 56 8.395 6.455 1.711 1.00 0.00 N ATOM 876 CA ASN A 56 8.290 7.299 0.526 1.00 0.00 C ATOM 877 C ASN A 56 7.246 8.394 0.730 1.00 0.00 C ATOM 878 O ASN A 56 7.387 9.505 0.217 1.00 0.00 O ATOM 879 CB ASN A 56 7.926 6.455 -0.697 1.00 0.00 C ATOM 880 CG ASN A 56 9.022 5.475 -1.069 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.207 5.750 -0.880 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.630 4.324 -1.602 1.00 0.00 N ATOM 0 H ASN A 56 8.076 5.496 1.575 1.00 0.00 H new ATOM 0 HA ASN A 56 9.259 7.770 0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.005 5.907 -0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.728 7.113 -1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.322 3.625 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.637 4.138 -1.741 1.00 0.00 H new ATOM 889 N LEU A 57 6.201 8.074 1.484 1.00 0.00 N ATOM 890 CA LEU A 57 5.134 9.030 1.757 1.00 0.00 C ATOM 891 C LEU A 57 5.657 10.215 2.563 1.00 0.00 C ATOM 892 O LEU A 57 5.462 11.369 2.184 1.00 0.00 O ATOM 893 CB LEU A 57 3.993 8.348 2.515 1.00 0.00 C ATOM 894 CG LEU A 57 2.882 9.268 3.025 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.549 8.536 3.040 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.220 9.792 4.413 1.00 0.00 C ATOM 0 H LEU A 57 6.069 7.160 1.917 1.00 0.00 H new ATOM 0 HA LEU A 57 4.759 9.400 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.546 7.599 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.416 7.816 3.367 1.00 0.00 H new ATOM 0 HG LEU A 57 2.799 10.118 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.770 9.205 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.302 8.209 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.618 7.668 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.419 10.445 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.330 8.954 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.154 10.353 4.373 1.00 0.00 H new ATOM 908 N GLU A 58 6.323 9.920 3.675 1.00 0.00 N ATOM 909 CA GLU A 58 6.876 10.962 4.532 1.00 0.00 C ATOM 910 C GLU A 58 7.958 11.751 3.801 1.00 0.00 C ATOM 911 O GLU A 58 8.273 12.882 4.172 1.00 0.00 O ATOM 912 CB GLU A 58 7.452 10.349 5.810 1.00 0.00 C ATOM 913 CG GLU A 58 8.297 9.110 5.565 1.00 0.00 C ATOM 914 CD GLU A 58 9.034 8.650 6.808 1.00 0.00 C ATOM 915 OE1 GLU A 58 10.108 9.213 7.104 1.00 0.00 O ATOM 916 OE2 GLU A 58 8.535 7.726 7.484 1.00 0.00 O ATOM 0 H GLU A 58 6.492 8.969 4.003 1.00 0.00 H new ATOM 0 HA GLU A 58 6.069 11.645 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.059 11.097 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.632 10.092 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.657 8.303 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.019 9.318 4.775 1.00 0.00 H new ATOM 923 N ALA A 59 8.524 11.146 2.762 1.00 0.00 N ATOM 924 CA ALA A 59 9.569 11.791 1.978 1.00 0.00 C ATOM 925 C ALA A 59 8.972 12.674 0.888 1.00 0.00 C ATOM 926 O ALA A 59 9.683 13.156 0.006 1.00 0.00 O ATOM 927 CB ALA A 59 10.493 10.747 1.368 1.00 0.00 C ATOM 0 H ALA A 59 8.276 10.209 2.444 1.00 0.00 H new ATOM 0 HA ALA A 59 10.149 12.427 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.269 11.244 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.955 10.161 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.918 10.087 0.719 1.00 0.00 H new ATOM 933 N TYR A 60 7.661 12.881 0.952 1.00 0.00 N ATOM 934 CA TYR A 60 6.968 13.703 -0.032 1.00 0.00 C ATOM 935 C TYR A 60 7.149 13.138 -1.437 1.00 0.00 C ATOM 936 O TYR A 60 7.432 13.875 -2.382 1.00 0.00 O ATOM 937 CB TYR A 60 7.481 15.142 0.022 1.00 0.00 C ATOM 938 CG TYR A 60 6.950 15.930 1.198 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.546 15.833 2.450 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.853 16.772 1.058 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.064 16.552 3.527 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.366 17.494 2.130 1.00 0.00 C ATOM 943 CZ TYR A 60 5.974 17.381 3.363 1.00 0.00 C ATOM 944 OH TYR A 60 5.491 18.098 4.433 1.00 0.00 O ATOM 0 H TYR A 60 7.057 12.490 1.675 1.00 0.00 H new ATOM 0 HA TYR A 60 5.905 13.695 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.570 15.129 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.205 15.652 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.400 15.185 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.373 16.863 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.539 16.465 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.513 18.144 2.003 1.00 0.00 H new ATOM 0 HH TYR A 60 4.721 18.633 4.148 1.00 0.00 H new ATOM 954 N ARG A 61 6.983 11.826 -1.568 1.00 0.00 N ATOM 955 CA ARG A 61 7.128 11.162 -2.857 1.00 0.00 C ATOM 956 C ARG A 61 5.771 10.970 -3.526 1.00 0.00 C ATOM 957 O ARG A 61 5.672 10.924 -4.753 1.00 0.00 O ATOM 958 CB ARG A 61 7.819 9.808 -2.682 1.00 0.00 C ATOM 959 CG ARG A 61 9.257 9.915 -2.202 1.00 0.00 C ATOM 960 CD ARG A 61 10.076 8.705 -2.624 1.00 0.00 C ATOM 961 NE ARG A 61 11.504 9.007 -2.692 1.00 0.00 N ATOM 962 CZ ARG A 61 12.283 9.123 -1.622 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.775 8.962 -0.408 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.572 9.400 -1.765 1.00 0.00 N ATOM 0 H ARG A 61 6.748 11.202 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 61 7.742 11.796 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.251 9.209 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.801 9.275 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.710 10.821 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.274 10.006 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.911 7.891 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.732 8.356 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 61 11.926 9.136 -3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.784 8.749 -0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.375 9.052 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.967 9.524 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.169 9.489 -0.943 1.00 0.00 H new ATOM 978 N TYR A 62 4.727 10.857 -2.712 1.00 0.00 N ATOM 979 CA TYR A 62 3.375 10.667 -3.225 1.00 0.00 C ATOM 980 C TYR A 62 2.577 11.966 -3.154 1.00 0.00 C ATOM 981 O TYR A 62 2.056 12.331 -2.100 1.00 0.00 O ATOM 982 CB TYR A 62 2.657 9.571 -2.436 1.00 0.00 C ATOM 983 CG TYR A 62 3.399 8.254 -2.417 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.003 7.757 -3.566 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.497 7.506 -1.250 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.681 6.554 -3.553 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.174 6.302 -1.228 1.00 0.00 C ATOM 988 CZ TYR A 62 4.764 5.830 -2.382 1.00 0.00 C ATOM 989 OH TYR A 62 5.439 4.632 -2.364 1.00 0.00 O ATOM 0 H TYR A 62 4.791 10.894 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 62 3.450 10.364 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.510 9.910 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.667 9.415 -2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.941 8.321 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.036 7.872 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.144 6.182 -4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.241 5.733 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 62 6.159 4.652 -3.028 1.00 0.00 H new ATOM 999 N LEU A 63 2.487 12.659 -4.284 1.00 0.00 N ATOM 1000 CA LEU A 63 1.753 13.917 -4.353 1.00 0.00 C ATOM 1001 C LEU A 63 0.327 13.690 -4.845 1.00 0.00 C ATOM 1002 O LEU A 63 -0.578 14.462 -4.533 1.00 0.00 O ATOM 1003 CB LEU A 63 2.473 14.901 -5.276 1.00 0.00 C ATOM 1004 CG LEU A 63 3.912 15.248 -4.895 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.724 15.595 -6.134 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.939 16.400 -3.900 1.00 0.00 C ATOM 0 H LEU A 63 2.913 12.371 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 63 1.708 14.338 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.475 14.487 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.895 15.824 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 63 4.362 14.375 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.746 15.839 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.734 14.742 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.275 16.452 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.972 16.633 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.470 17.277 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.394 16.116 -3.000 1.00 0.00 H new ATOM 1018 N ASN A 64 0.136 12.624 -5.617 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.179 12.294 -6.152 1.00 0.00 C ATOM 1020 C ASN A 64 -1.623 10.909 -5.689 1.00 0.00 C ATOM 1021 O ASN A 64 -0.836 9.963 -5.686 1.00 0.00 O ATOM 1022 CB ASN A 64 -1.160 12.352 -7.681 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.500 13.613 -8.203 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -1.164 14.624 -8.437 1.00 0.00 O ATOM 1025 ND2 ASN A 64 0.813 13.559 -8.389 1.00 0.00 N ATOM 0 H ASN A 64 0.876 11.975 -5.885 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.891 13.029 -5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.631 11.481 -8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.182 12.298 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.313 14.376 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.323 12.700 -8.182 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.889 10.798 -5.301 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.438 9.530 -4.836 1.00 0.00 C ATOM 1034 C PHE A 65 -3.004 8.384 -5.746 1.00 0.00 C ATOM 1035 O PHE A 65 -2.410 7.407 -5.292 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.965 9.601 -4.779 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.572 8.659 -3.779 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.652 9.006 -2.440 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.063 7.427 -4.177 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.208 8.141 -1.517 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.622 6.557 -3.259 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.695 6.916 -1.927 1.00 0.00 C ATOM 0 H PHE A 65 -3.554 11.571 -5.299 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.053 9.341 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.264 10.620 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.368 9.379 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.275 9.964 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.009 7.142 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.262 8.423 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.001 5.599 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.132 6.239 -1.208 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.308 8.512 -7.033 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.950 7.488 -8.008 1.00 0.00 C ATOM 1054 C ASP A 66 -1.614 6.843 -7.653 1.00 0.00 C ATOM 1055 O ASP A 66 -1.404 5.654 -7.892 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.882 8.093 -9.412 1.00 0.00 C ATOM 1057 CG ASP A 66 -4.218 8.640 -9.872 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.639 9.694 -9.350 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.844 8.016 -10.754 1.00 0.00 O ATOM 0 H ASP A 66 -3.801 9.314 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.721 6.717 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.142 8.893 -9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.542 7.333 -10.116 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.713 7.636 -7.084 1.00 0.00 N ATOM 1065 CA ASP A 67 0.604 7.142 -6.696 1.00 0.00 C ATOM 1066 C ASP A 67 0.523 6.339 -5.401 1.00 0.00 C ATOM 1067 O ASP A 67 0.924 5.176 -5.354 1.00 0.00 O ATOM 1068 CB ASP A 67 1.580 8.307 -6.528 1.00 0.00 C ATOM 1069 CG ASP A 67 3.017 7.901 -6.788 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.316 6.692 -6.701 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.843 8.792 -7.077 1.00 0.00 O ATOM 0 H ASP A 67 -0.870 8.623 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 67 0.967 6.486 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.303 9.110 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.495 8.705 -5.517 1.00 0.00 H new ATOM 1076 N PHE A 68 0.003 6.968 -4.352 1.00 0.00 N ATOM 1077 CA PHE A 68 -0.128 6.313 -3.056 1.00 0.00 C ATOM 1078 C PHE A 68 -0.886 4.994 -3.187 1.00 0.00 C ATOM 1079 O PHE A 68 -0.787 4.123 -2.324 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.849 7.231 -2.067 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.136 6.581 -0.744 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -2.303 5.860 -0.550 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.237 6.689 0.306 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.570 5.260 0.666 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.499 6.090 1.524 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.667 5.376 1.705 1.00 0.00 C ATOM 0 H PHE A 68 -0.334 7.930 -4.374 1.00 0.00 H new ATOM 0 HA PHE A 68 0.874 6.101 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.242 8.121 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.788 7.563 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.013 5.766 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.678 7.247 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.484 4.701 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.210 6.180 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.874 4.909 2.657 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.641 4.857 -4.273 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.415 3.647 -4.515 1.00 0.00 C ATOM 1098 C GLU A 69 -1.606 2.635 -5.322 1.00 0.00 C ATOM 1099 O GLU A 69 -1.780 1.426 -5.174 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.712 3.984 -5.255 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.459 2.763 -5.764 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.842 3.099 -6.285 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.533 3.922 -5.648 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.234 2.539 -7.330 1.00 0.00 O ATOM 0 H GLU A 69 -1.732 5.569 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.659 3.204 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.365 4.547 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.480 4.635 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.880 2.293 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.546 2.033 -4.959 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.721 3.141 -6.177 1.00 0.00 N ATOM 1112 CA GLU A 70 0.114 2.281 -7.007 1.00 0.00 C ATOM 1113 C GLU A 70 0.985 1.371 -6.147 1.00 0.00 C ATOM 1114 O GLU A 70 1.023 0.158 -6.350 1.00 0.00 O ATOM 1115 CB GLU A 70 0.996 3.127 -7.929 1.00 0.00 C ATOM 1116 CG GLU A 70 1.515 2.370 -9.139 1.00 0.00 C ATOM 1117 CD GLU A 70 2.852 2.892 -9.626 1.00 0.00 C ATOM 1118 OE1 GLU A 70 3.633 3.393 -8.789 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.118 2.802 -10.842 1.00 0.00 O ATOM 0 H GLU A 70 -0.565 4.140 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.542 1.657 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.427 3.992 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.843 3.508 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.612 1.314 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.786 2.440 -9.946 1.00 0.00 H new ATOM 1126 N ASP A 71 1.681 1.966 -5.184 1.00 0.00 N ATOM 1127 CA ASP A 71 2.550 1.210 -4.291 1.00 0.00 C ATOM 1128 C ASP A 71 1.773 0.105 -3.581 1.00 0.00 C ATOM 1129 O ASP A 71 2.180 -1.057 -3.588 1.00 0.00 O ATOM 1130 CB ASP A 71 3.192 2.140 -3.261 1.00 0.00 C ATOM 1131 CG ASP A 71 2.346 2.296 -2.013 1.00 0.00 C ATOM 1132 OD1 ASP A 71 2.441 1.429 -1.120 1.00 0.00 O ATOM 1133 OD2 ASP A 71 1.588 3.285 -1.931 1.00 0.00 O ATOM 0 H ASP A 71 1.660 2.969 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 71 3.334 0.749 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.172 1.750 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.354 3.119 -3.711 1.00 0.00 H new ATOM 1138 N PHE A 72 0.653 0.476 -2.971 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.180 -0.483 -2.255 1.00 0.00 C ATOM 1140 C PHE A 72 -0.488 -1.695 -3.128 1.00 0.00 C ATOM 1141 O PHE A 72 -0.359 -2.837 -2.692 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.484 0.179 -1.805 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.568 -0.803 -1.463 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.326 -1.394 -2.460 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.829 -1.135 -0.143 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.324 -2.298 -2.147 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.825 -2.038 0.176 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.573 -2.621 -0.828 1.00 0.00 C ATOM 0 H PHE A 72 0.301 1.433 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 72 0.371 -0.820 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.283 0.804 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.839 0.839 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.135 -1.146 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.247 -0.682 0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.909 -2.751 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.018 -2.288 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.351 -3.328 -0.582 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.895 -1.436 -4.367 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.223 -2.505 -5.303 1.00 0.00 C ATOM 1160 C ASN A 73 -0.105 -3.543 -5.357 1.00 0.00 C ATOM 1161 O ASN A 73 -0.354 -4.746 -5.269 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.468 -1.932 -6.700 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.909 -1.506 -6.905 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.839 -2.237 -6.563 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.101 -0.317 -7.465 1.00 0.00 N ATOM 0 H ASN A 73 -1.005 -0.495 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.133 -2.993 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.813 -1.076 -6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.203 -2.679 -7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.049 0.023 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.301 0.256 -7.733 1.00 0.00 H new ATOM 1172 N LEU A 74 1.127 -3.069 -5.501 1.00 0.00 N ATOM 1173 CA LEU A 74 2.286 -3.955 -5.566 1.00 0.00 C ATOM 1174 C LEU A 74 2.340 -4.869 -4.345 1.00 0.00 C ATOM 1175 O LEU A 74 2.386 -6.092 -4.476 1.00 0.00 O ATOM 1176 CB LEU A 74 3.574 -3.136 -5.661 1.00 0.00 C ATOM 1177 CG LEU A 74 3.794 -2.383 -6.974 1.00 0.00 C ATOM 1178 CD1 LEU A 74 4.929 -1.380 -6.830 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.082 -3.358 -8.106 1.00 0.00 C ATOM 0 H LEU A 74 1.350 -2.077 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 74 2.190 -4.574 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.583 -2.414 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.419 -3.806 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 74 2.882 -1.837 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.071 -0.854 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.683 -0.662 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.847 -1.905 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.236 -2.805 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.979 -3.932 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.238 -4.037 -8.225 1.00 0.00 H new ATOM 1191 N ILE A 75 2.332 -4.268 -3.161 1.00 0.00 N ATOM 1192 CA ILE A 75 2.378 -5.028 -1.918 1.00 0.00 C ATOM 1193 C ILE A 75 1.560 -6.311 -2.029 1.00 0.00 C ATOM 1194 O ILE A 75 1.876 -7.318 -1.394 1.00 0.00 O ATOM 1195 CB ILE A 75 1.852 -4.200 -0.732 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.705 -2.943 -0.541 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.842 -5.038 0.538 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.130 -1.969 0.464 1.00 0.00 C ATOM 0 H ILE A 75 2.294 -3.256 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 75 3.424 -5.279 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 75 0.829 -3.893 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.704 -3.237 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.815 -2.439 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.467 -4.438 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.196 -5.905 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.855 -5.373 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.786 -1.103 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.143 -1.646 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.046 -2.456 1.436 1.00 0.00 H new ATOM 1210 N VAL A 76 0.509 -6.269 -2.841 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.352 -7.429 -3.037 1.00 0.00 C ATOM 1212 C VAL A 76 0.074 -8.228 -4.264 1.00 0.00 C ATOM 1213 O VAL A 76 0.060 -9.458 -4.252 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.827 -7.012 -3.197 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.695 -8.226 -3.489 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.312 -6.287 -1.951 1.00 0.00 C ATOM 0 H VAL A 76 0.233 -5.444 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.252 -8.052 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.905 -6.328 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.733 -7.913 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.359 -8.700 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.615 -8.937 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.355 -5.999 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.222 -6.947 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.707 -5.395 -1.791 1.00 0.00 H new ATOM 1226 N SER A 77 0.453 -7.519 -5.323 1.00 0.00 N ATOM 1227 CA SER A 77 0.881 -8.162 -6.560 1.00 0.00 C ATOM 1228 C SER A 77 2.143 -8.989 -6.335 1.00 0.00 C ATOM 1229 O SER A 77 2.115 -10.216 -6.411 1.00 0.00 O ATOM 1230 CB SER A 77 1.133 -7.112 -7.644 1.00 0.00 C ATOM 1231 OG SER A 77 0.920 -7.654 -8.937 1.00 0.00 O ATOM 0 H SER A 77 0.472 -6.500 -5.349 1.00 0.00 H new ATOM 0 HA SER A 77 0.084 -8.830 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.472 -6.259 -7.490 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.155 -6.741 -7.565 1.00 0.00 H new ATOM 0 HG SER A 77 1.086 -6.964 -9.612 1.00 0.00 H new ATOM 1237 N ASN A 78 3.248 -8.306 -6.056 1.00 0.00 N ATOM 1238 CA ASN A 78 4.521 -8.976 -5.819 1.00 0.00 C ATOM 1239 C ASN A 78 4.315 -10.287 -5.068 1.00 0.00 C ATOM 1240 O ASN A 78 4.910 -11.310 -5.409 1.00 0.00 O ATOM 1241 CB ASN A 78 5.462 -8.064 -5.028 1.00 0.00 C ATOM 1242 CG ASN A 78 4.713 -7.124 -4.105 1.00 0.00 C ATOM 1243 OD1 ASN A 78 3.944 -7.558 -3.248 1.00 0.00 O ATOM 1244 ND2 ASN A 78 4.937 -5.825 -4.275 1.00 0.00 N ATOM 0 H ASN A 78 3.288 -7.289 -5.988 1.00 0.00 H new ATOM 0 HA ASN A 78 4.971 -9.200 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.148 -8.675 -4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.068 -7.481 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.463 -5.144 -3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.583 -5.509 -4.998 1.00 0.00 H new ATOM 1251 N CYS A 79 3.469 -10.248 -4.044 1.00 0.00 N ATOM 1252 CA CYS A 79 3.183 -11.435 -3.244 1.00 0.00 C ATOM 1253 C CYS A 79 2.456 -12.488 -4.072 1.00 0.00 C ATOM 1254 O CYS A 79 2.827 -13.663 -4.067 1.00 0.00 O ATOM 1255 CB CYS A 79 2.343 -11.060 -2.022 1.00 0.00 C ATOM 1256 SG CYS A 79 2.291 -12.336 -0.742 1.00 0.00 S ATOM 0 H CYS A 79 2.970 -9.409 -3.748 1.00 0.00 H new ATOM 0 HA CYS A 79 4.132 -11.855 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.741 -10.142 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.325 -10.844 -2.347 1.00 0.00 H new ATOM 0 HG CYS A 79 1.129 -12.319 -0.160 1.00 0.00 H new ATOM 1262 N LEU A 80 1.418 -12.061 -4.784 1.00 0.00 N ATOM 1263 CA LEU A 80 0.637 -12.968 -5.617 1.00 0.00 C ATOM 1264 C LEU A 80 1.505 -13.591 -6.705 1.00 0.00 C ATOM 1265 O LEU A 80 1.190 -14.659 -7.231 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.539 -12.224 -6.250 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.653 -11.791 -5.296 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.607 -10.830 -5.989 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.404 -13.003 -4.768 1.00 0.00 C ATOM 0 H LEU A 80 1.098 -11.093 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 80 0.254 -13.767 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.153 -11.337 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.975 -12.862 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.200 -11.273 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.393 -10.533 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.059 -9.946 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.054 -11.321 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.193 -12.676 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.845 -13.549 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.713 -13.654 -4.232 1.00 0.00 H new ATOM 1281 N LYS A 81 2.601 -12.919 -7.039 1.00 0.00 N ATOM 1282 CA LYS A 81 3.518 -13.407 -8.061 1.00 0.00 C ATOM 1283 C LYS A 81 4.532 -14.378 -7.465 1.00 0.00 C ATOM 1284 O LYS A 81 4.702 -15.493 -7.958 1.00 0.00 O ATOM 1285 CB LYS A 81 4.247 -12.235 -8.724 1.00 0.00 C ATOM 1286 CG LYS A 81 5.639 -12.587 -9.220 1.00 0.00 C ATOM 1287 CD LYS A 81 6.331 -11.384 -9.838 1.00 0.00 C ATOM 1288 CE LYS A 81 6.033 -11.272 -11.325 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.388 -9.929 -11.862 1.00 0.00 N ATOM 0 H LYS A 81 2.876 -12.033 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 81 2.934 -13.936 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.651 -11.875 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.321 -11.414 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.237 -12.966 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.572 -13.388 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.005 -10.476 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.407 -11.465 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.589 -12.038 -11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.974 -11.464 -11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.331 -9.944 -12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.725 -9.220 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.356 -9.684 -11.572 1.00 0.00 H new ATOM 1303 N TYR A 82 5.201 -13.948 -6.402 1.00 0.00 N ATOM 1304 CA TYR A 82 6.199 -14.779 -5.739 1.00 0.00 C ATOM 1305 C TYR A 82 5.537 -15.932 -4.990 1.00 0.00 C ATOM 1306 O TYR A 82 5.778 -17.101 -5.290 1.00 0.00 O ATOM 1307 CB TYR A 82 7.032 -13.939 -4.769 1.00 0.00 C ATOM 1308 CG TYR A 82 8.414 -14.497 -4.516 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.247 -14.847 -5.570 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.885 -14.675 -3.221 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.510 -15.359 -5.343 1.00 0.00 C ATOM 1312 CE2 TYR A 82 10.147 -15.185 -2.983 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.956 -15.526 -4.048 1.00 0.00 C ATOM 1314 OH TYR A 82 12.214 -16.033 -3.818 1.00 0.00 O ATOM 0 H TYR A 82 5.071 -13.028 -5.980 1.00 0.00 H new ATOM 0 HA TYR A 82 6.854 -15.194 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.125 -12.928 -5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.501 -13.862 -3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.902 -14.717 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.254 -14.410 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.145 -15.627 -6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.498 -15.316 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 82 12.879 -15.477 -4.275 1.00 0.00 H new ATOM 1324 N ASN A 83 4.701 -15.593 -4.014 1.00 0.00 N ATOM 1325 CA ASN A 83 4.003 -16.599 -3.222 1.00 0.00 C ATOM 1326 C ASN A 83 2.974 -17.341 -4.069 1.00 0.00 C ATOM 1327 O ASN A 83 2.869 -17.116 -5.275 1.00 0.00 O ATOM 1328 CB ASN A 83 3.315 -15.945 -2.021 1.00 0.00 C ATOM 1329 CG ASN A 83 4.208 -15.906 -0.796 1.00 0.00 C ATOM 1330 OD1 ASN A 83 4.507 -16.940 -0.199 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.637 -14.708 -0.414 1.00 0.00 N ATOM 0 H ASN A 83 4.491 -14.630 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 83 4.739 -17.319 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.018 -14.930 -2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.403 -16.493 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.239 -14.619 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.364 -13.877 -0.939 1.00 0.00 H new ATOM 1338 N ALA A 84 2.215 -18.225 -3.430 1.00 0.00 N ATOM 1339 CA ALA A 84 1.193 -18.998 -4.123 1.00 0.00 C ATOM 1340 C ALA A 84 -0.073 -19.115 -3.281 1.00 0.00 C ATOM 1341 O ALA A 84 -0.043 -18.917 -2.066 1.00 0.00 O ATOM 1342 CB ALA A 84 1.724 -20.380 -4.476 1.00 0.00 C ATOM 0 H ALA A 84 2.289 -18.423 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 84 0.938 -18.473 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.949 -20.946 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.595 -20.281 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.009 -20.904 -3.564 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.184 -19.439 -3.933 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.462 -19.583 -3.244 1.00 0.00 C ATOM 1350 C LYS A 85 -2.368 -20.629 -2.138 1.00 0.00 C ATOM 1351 O LYS A 85 -3.209 -20.673 -1.239 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.559 -19.974 -4.237 1.00 0.00 C ATOM 1353 CG LYS A 85 -3.645 -19.052 -5.441 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.154 -19.786 -6.671 1.00 0.00 C ATOM 1355 CE LYS A 85 -3.045 -20.577 -7.347 1.00 0.00 C ATOM 1356 NZ LYS A 85 -2.064 -19.687 -8.026 1.00 0.00 N ATOM 0 H LYS A 85 -1.226 -19.607 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.714 -18.623 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.380 -20.992 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.520 -19.976 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.308 -18.217 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.661 -18.631 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.961 -20.460 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.573 -19.069 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.529 -21.187 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.479 -21.262 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.502 -20.242 -8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.571 -18.934 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.432 -19.262 -7.317 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.339 -21.467 -2.207 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.134 -22.509 -1.209 1.00 0.00 C ATOM 1372 C ASP A 86 -0.562 -21.926 0.079 1.00 0.00 C ATOM 1373 O ASP A 86 -0.785 -22.456 1.168 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.197 -23.589 -1.754 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.576 -24.031 -3.154 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.736 -24.449 -3.351 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.288 -23.960 -4.052 1.00 0.00 O ATOM 0 H ASP A 86 -0.634 -21.444 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.102 -22.957 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.825 -23.210 -1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.214 -24.451 -1.087 1.00 0.00 H new ATOM 1382 N THR A 87 0.179 -20.829 -0.053 1.00 0.00 N ATOM 1383 CA THR A 87 0.786 -20.174 1.099 1.00 0.00 C ATOM 1384 C THR A 87 -0.189 -19.202 1.755 1.00 0.00 C ATOM 1385 O THR A 87 -1.291 -18.981 1.253 1.00 0.00 O ATOM 1386 CB THR A 87 2.065 -19.413 0.703 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.722 -18.193 0.034 1.00 0.00 O ATOM 1388 CG2 THR A 87 2.943 -20.263 -0.202 1.00 0.00 C ATOM 0 H THR A 87 0.373 -20.376 -0.946 1.00 0.00 H new ATOM 0 HA THR A 87 1.045 -20.959 1.809 1.00 0.00 H new ATOM 0 HB THR A 87 2.621 -19.185 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.162 -18.393 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.840 -19.704 -0.468 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.226 -21.177 0.320 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.393 -20.518 -1.108 1.00 0.00 H new ATOM 1396 N ILE A 88 0.225 -18.624 2.877 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.611 -17.674 3.599 1.00 0.00 C ATOM 1398 C ILE A 88 -0.468 -16.268 3.026 1.00 0.00 C ATOM 1399 O ILE A 88 -1.434 -15.687 2.532 1.00 0.00 O ATOM 1400 CB ILE A 88 -0.260 -17.642 5.099 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -1.101 -18.667 5.864 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.475 -16.245 5.663 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -1.005 -18.527 7.367 1.00 0.00 C ATOM 0 H ILE A 88 1.134 -18.797 3.306 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.642 -18.009 3.481 1.00 0.00 H new ATOM 0 HB ILE A 88 0.792 -17.903 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.144 -18.566 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.783 -19.670 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.223 -16.238 6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.163 -15.537 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.519 -15.958 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.626 -19.285 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.031 -18.658 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.351 -17.537 7.663 1.00 0.00 H new ATOM 1415 N PHE A 89 0.744 -15.728 3.092 1.00 0.00 N ATOM 1416 CA PHE A 89 1.015 -14.390 2.579 1.00 0.00 C ATOM 1417 C PHE A 89 0.258 -14.145 1.276 1.00 0.00 C ATOM 1418 O PHE A 89 -0.038 -13.004 0.924 1.00 0.00 O ATOM 1419 CB PHE A 89 2.516 -14.201 2.353 1.00 0.00 C ATOM 1420 CG PHE A 89 3.370 -14.954 3.334 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.150 -14.834 4.697 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.389 -15.782 2.894 1.00 0.00 C ATOM 1423 CE1 PHE A 89 3.934 -15.525 5.602 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.176 -16.475 3.793 1.00 0.00 C ATOM 1425 CZ PHE A 89 4.947 -16.347 5.149 1.00 0.00 C ATOM 0 H PHE A 89 1.555 -16.197 3.496 1.00 0.00 H new ATOM 0 HA PHE A 89 0.673 -13.667 3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.767 -14.524 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.754 -13.139 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.358 -14.194 5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.571 -15.887 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.754 -15.422 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.969 -17.116 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.559 -16.889 5.854 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.049 -15.225 0.565 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.767 -15.127 -0.700 1.00 0.00 C ATOM 1437 C TYR A 90 -2.243 -14.816 -0.466 1.00 0.00 C ATOM 1438 O TYR A 90 -2.766 -13.821 -0.968 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.628 -16.429 -1.490 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.230 -16.363 -2.876 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.595 -16.176 -3.055 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.432 -16.487 -4.007 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.148 -16.116 -4.318 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -0.977 -16.427 -5.275 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.336 -16.242 -5.426 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.883 -16.180 -6.686 1.00 0.00 O ATOM 0 H TYR A 90 0.188 -16.177 0.843 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.329 -14.311 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.429 -16.683 -1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.106 -17.235 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.235 -16.076 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.632 -16.633 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.211 -15.971 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.343 -16.524 -6.144 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.175 -16.285 -7.355 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.907 -15.674 0.301 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.322 -15.493 0.602 1.00 0.00 C ATOM 1458 C ARG A 91 -4.551 -14.202 1.383 1.00 0.00 C ATOM 1459 O ARG A 91 -5.573 -13.538 1.217 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.852 -16.686 1.400 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.945 -17.968 0.590 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.143 -19.181 1.487 1.00 0.00 C ATOM 1463 NE ARG A 91 -5.889 -20.241 0.816 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.238 -21.381 1.405 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.910 -21.604 2.670 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -6.917 -22.298 0.728 1.00 0.00 N ATOM 0 H ARG A 91 -2.488 -16.501 0.725 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.863 -15.427 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.202 -16.855 2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.840 -16.441 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.774 -17.896 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.037 -18.094 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.171 -19.563 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.673 -18.881 2.391 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.157 -20.100 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.389 -20.900 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.179 -22.479 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.172 -22.129 -0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.184 -23.172 1.181 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.592 -13.855 2.235 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.688 -12.644 3.040 1.00 0.00 C ATOM 1482 C ALA A 92 -3.650 -11.398 2.164 1.00 0.00 C ATOM 1483 O ALA A 92 -4.343 -10.417 2.432 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.567 -12.603 4.068 1.00 0.00 C ATOM 0 H ALA A 92 -2.740 -14.395 2.385 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.645 -12.660 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.651 -11.693 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.641 -13.472 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.604 -12.615 3.557 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.836 -11.442 1.114 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.709 -10.316 0.197 1.00 0.00 C ATOM 1492 C ALA A 93 -3.989 -10.115 -0.606 1.00 0.00 C ATOM 1493 O ALA A 93 -4.399 -8.983 -0.866 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.526 -10.528 -0.737 1.00 0.00 C ATOM 0 H ALA A 93 -2.254 -12.246 0.877 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.536 -9.416 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.442 -9.680 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.611 -10.615 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.676 -11.441 -1.313 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.618 -11.219 -0.996 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.853 -11.163 -1.769 1.00 0.00 C ATOM 1502 C VAL A 94 -6.930 -10.381 -1.027 1.00 0.00 C ATOM 1503 O VAL A 94 -7.636 -9.563 -1.617 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.381 -12.575 -2.083 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.870 -12.530 -2.394 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.606 -13.190 -3.238 1.00 0.00 C ATOM 0 H VAL A 94 -4.293 -12.163 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.620 -10.654 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.235 -13.202 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.226 -13.536 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.410 -12.134 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.042 -11.888 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.993 -14.188 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.718 -12.566 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.551 -13.258 -2.973 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.052 -10.639 0.271 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.046 -9.960 1.094 1.00 0.00 C ATOM 1518 C ARG A 95 -7.793 -8.455 1.119 1.00 0.00 C ATOM 1519 O ARG A 95 -8.676 -7.661 0.790 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.022 -10.515 2.521 1.00 0.00 C ATOM 1521 CG ARG A 95 -9.021 -9.845 3.450 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.519 -10.807 4.518 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.724 -11.517 4.098 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.187 -12.602 4.707 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.551 -13.100 5.758 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.291 -13.192 4.266 1.00 0.00 N ATOM 0 H ARG A 95 -6.475 -11.313 0.775 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.028 -10.140 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.228 -11.585 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.019 -10.396 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.556 -8.981 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.866 -9.473 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.735 -11.529 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.725 -10.255 5.435 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.238 -11.160 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.703 -12.649 6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.910 -13.934 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.785 -12.812 3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.646 -14.026 4.735 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.585 -8.068 1.512 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.217 -6.659 1.580 1.00 0.00 C ATOM 1542 C LEU A 96 -6.625 -5.928 0.305 1.00 0.00 C ATOM 1543 O LEU A 96 -7.214 -4.847 0.360 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.710 -6.515 1.803 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.199 -6.890 3.195 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.681 -6.981 3.200 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.678 -5.881 4.228 1.00 0.00 C ATOM 0 H LEU A 96 -5.843 -8.711 1.789 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.747 -6.211 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.194 -7.134 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.430 -5.481 1.601 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.602 -7.868 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.336 -7.249 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.360 -7.742 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.258 -6.017 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.305 -6.163 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.305 -4.890 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.768 -5.866 4.243 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.309 -6.523 -0.840 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.644 -5.927 -2.128 1.00 0.00 C ATOM 1561 C ARG A 97 -8.153 -5.737 -2.263 1.00 0.00 C ATOM 1562 O ARG A 97 -8.615 -4.711 -2.760 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.127 -6.805 -3.269 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.576 -6.343 -4.645 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.363 -7.423 -5.693 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.884 -7.029 -7.000 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.210 -6.279 -7.864 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.995 -5.845 -7.563 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -6.752 -5.963 -9.033 1.00 0.00 N ATOM 0 H ARG A 97 -5.822 -7.417 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.165 -4.949 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.038 -6.821 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.466 -7.829 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.631 -6.070 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.023 -5.447 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.298 -7.641 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.851 -8.342 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.817 -7.348 -7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.575 -6.087 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.480 -5.269 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.687 -6.296 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.234 -5.387 -9.696 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.912 -6.732 -1.815 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.367 -6.673 -1.889 1.00 0.00 C ATOM 1585 C GLU A 98 -10.926 -5.716 -0.839 1.00 0.00 C ATOM 1586 O GLU A 98 -11.489 -4.673 -1.173 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.967 -8.067 -1.693 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.810 -8.972 -2.903 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.637 -8.510 -4.087 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.836 -8.215 -3.895 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.086 -8.445 -5.206 1.00 0.00 O ATOM 0 H GLU A 98 -8.544 -7.587 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.640 -6.303 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.494 -8.540 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.027 -7.968 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.759 -9.009 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.103 -9.987 -2.634 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.766 -6.079 0.430 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.255 -5.253 1.527 1.00 0.00 C ATOM 1600 C GLN A 99 -10.576 -3.887 1.526 1.00 0.00 C ATOM 1601 O GLN A 99 -11.241 -2.852 1.521 1.00 0.00 O ATOM 1602 CB GLN A 99 -11.016 -5.953 2.866 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.743 -7.282 2.995 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.727 -7.820 4.413 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.467 -7.085 5.365 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -12.007 -9.110 4.560 1.00 0.00 N ATOM 0 H GLN A 99 -10.302 -6.939 0.723 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.326 -5.106 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.946 -6.119 2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.335 -5.294 3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.776 -7.160 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.281 -8.011 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.217 -9.683 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.012 -9.528 5.490 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.246 -3.894 1.530 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.499 -2.648 1.530 1.00 0.00 C ATOM 1617 C GLY A 100 -9.019 -1.660 0.505 1.00 0.00 C ATOM 1618 O GLY A 100 -8.925 -0.449 0.697 1.00 0.00 O ATOM 0 H GLY A 100 -8.673 -4.738 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.549 -2.198 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.449 -2.858 1.328 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.568 -2.179 -0.590 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.095 -1.320 -1.634 1.00 0.00 C ATOM 1624 C GLY A 101 -11.067 -0.288 -1.099 1.00 0.00 C ATOM 1625 O GLY A 101 -11.108 0.844 -1.579 1.00 0.00 O ATOM 0 H GLY A 101 -9.657 -3.179 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.270 -0.813 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.595 -1.931 -2.385 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.856 -0.680 -0.104 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.834 0.220 0.496 1.00 0.00 C ATOM 1631 C ALA A 102 -12.148 1.393 1.187 1.00 0.00 C ATOM 1632 O ALA A 102 -12.657 2.515 1.179 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.710 -0.537 1.483 1.00 0.00 C ATOM 0 H ALA A 102 -11.837 -1.615 0.304 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.462 0.618 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.436 0.146 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.235 -1.338 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.087 -0.962 2.270 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.990 1.129 1.783 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.235 2.165 2.478 1.00 0.00 C ATOM 1641 C VAL A 103 -9.676 3.189 1.497 1.00 0.00 C ATOM 1642 O VAL A 103 -9.770 4.397 1.723 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.073 1.562 3.290 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.152 2.660 3.800 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.608 0.725 4.442 1.00 0.00 C ATOM 0 H VAL A 103 -10.554 0.207 1.799 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.928 2.659 3.159 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.494 0.911 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.337 2.215 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.743 3.213 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.715 3.339 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.774 0.306 5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.211 1.353 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.223 -0.084 4.049 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.096 2.701 0.407 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.522 3.575 -0.612 1.00 0.00 C ATOM 1657 C LEU A 104 -9.617 4.305 -1.383 1.00 0.00 C ATOM 1658 O LEU A 104 -9.401 5.402 -1.898 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.656 2.765 -1.578 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.407 2.119 -0.978 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.933 0.964 -1.848 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.301 3.150 -0.808 1.00 0.00 C ATOM 0 H LEU A 104 -9.010 1.705 0.205 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.900 4.317 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.272 1.980 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.347 3.419 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.663 1.725 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.043 0.516 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.721 0.214 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.695 1.334 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.420 2.672 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.047 3.575 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.642 3.943 -0.143 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.793 3.690 -1.455 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.923 4.282 -2.163 1.00 0.00 C ATOM 1676 C ARG A 105 -12.553 5.402 -1.339 1.00 0.00 C ATOM 1677 O ARG A 105 -12.888 6.460 -1.870 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.971 3.212 -2.478 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.759 2.528 -3.818 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.057 1.952 -4.361 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.874 1.324 -5.666 1.00 0.00 N ATOM 1682 CZ ARG A 105 -13.451 0.074 -5.827 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -13.170 -0.676 -4.771 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.309 -0.427 -7.048 1.00 0.00 N ATOM 0 H ARG A 105 -10.989 2.783 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.555 4.705 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.958 2.460 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.960 3.670 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.350 3.243 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.024 1.731 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.450 1.218 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.800 2.746 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.082 1.874 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.278 -0.295 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.846 -1.635 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.524 0.147 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.984 -1.386 -7.171 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.711 5.157 -0.043 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.303 6.145 0.853 1.00 0.00 C ATOM 1700 C GLN A 106 -12.369 7.337 1.041 1.00 0.00 C ATOM 1701 O GLN A 106 -12.819 8.457 1.285 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.619 5.511 2.208 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.439 5.500 3.165 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.828 5.075 4.567 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.434 4.022 4.764 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.482 5.895 5.553 1.00 0.00 N ATOM 0 H GLN A 106 -12.438 4.285 0.410 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.229 6.500 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.445 6.052 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.958 4.487 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.673 4.824 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.996 6.495 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.980 6.758 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.718 5.661 6.517 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.070 7.088 0.927 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.074 8.140 1.083 1.00 0.00 C ATOM 1717 C ALA A 107 -9.856 8.890 -0.227 1.00 0.00 C ATOM 1718 O ALA A 107 -9.499 10.068 -0.227 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.761 7.555 1.583 1.00 0.00 C ATOM 0 H ALA A 107 -10.682 6.166 0.727 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.447 8.851 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.026 8.353 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.922 7.072 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.393 6.821 0.866 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.073 8.199 -1.341 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.898 8.799 -2.658 1.00 0.00 C ATOM 1727 C ARG A 108 -10.721 10.078 -2.786 1.00 0.00 C ATOM 1728 O ARG A 108 -10.186 11.143 -3.095 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.304 7.808 -3.751 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.896 8.244 -5.149 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.106 7.130 -6.163 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.245 7.285 -7.332 1.00 0.00 N ATOM 1733 CZ ARG A 108 -9.502 8.126 -8.328 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -10.590 8.883 -8.296 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -8.670 8.211 -9.359 1.00 0.00 N ATOM 0 H ARG A 108 -10.370 7.223 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.844 9.051 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.855 6.838 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.385 7.672 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.476 9.119 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.848 8.543 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.907 6.168 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.149 7.120 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.400 6.716 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.232 8.820 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.785 9.528 -9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.832 7.630 -9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.869 8.857 -10.123 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.023 9.965 -2.546 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.919 11.112 -2.636 1.00 0.00 C ATOM 1751 C ARG A 109 -12.388 12.282 -1.814 1.00 0.00 C ATOM 1752 O ARG A 109 -12.584 13.443 -2.172 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.320 10.730 -2.154 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.439 10.639 -0.642 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.754 9.997 -0.224 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.830 10.977 -0.112 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.555 11.394 -1.145 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.318 10.919 -2.360 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.517 12.289 -0.963 1.00 0.00 N ATOM 0 H ARG A 109 -12.481 9.091 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.973 11.419 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.035 11.465 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.596 9.770 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.607 10.058 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.366 11.637 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.032 9.234 -0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.623 9.492 0.733 1.00 0.00 H new ATOM 0 HE ARG A 109 -17.037 11.363 0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.578 10.232 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.876 11.241 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.701 12.658 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.073 12.609 -1.756 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.715 11.968 -0.712 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.158 12.994 0.161 1.00 0.00 C ATOM 1775 C GLN A 110 -10.004 13.721 -0.522 1.00 0.00 C ATOM 1776 O GLN A 110 -10.035 14.941 -0.682 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.678 12.371 1.473 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.745 11.556 2.186 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.509 11.467 3.681 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.153 10.409 4.202 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.707 12.578 4.379 1.00 0.00 N ATOM 0 H GLN A 110 -11.542 11.012 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.944 13.718 0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.820 11.731 1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.334 13.164 2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.722 12.003 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.771 10.551 1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.002 13.432 3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.564 12.578 5.389 1.00 0.00 H new ATOM 1790 N ALA A 111 -8.988 12.964 -0.922 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.825 13.537 -1.589 1.00 0.00 C ATOM 1792 C ALA A 111 -8.243 14.407 -2.771 1.00 0.00 C ATOM 1793 O ALA A 111 -7.472 15.242 -3.242 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.884 12.433 -2.050 1.00 0.00 C ATOM 0 H ALA A 111 -8.946 11.953 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.301 14.170 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.020 12.875 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.551 11.855 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.406 11.777 -2.746 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.468 14.203 -3.245 1.00 0.00 N ATOM 1801 CA GLU A 112 -9.987 14.968 -4.373 1.00 0.00 C ATOM 1802 C GLU A 112 -10.813 16.158 -3.890 1.00 0.00 C ATOM 1803 O GLU A 112 -10.661 17.275 -4.385 1.00 0.00 O ATOM 1804 CB GLU A 112 -10.840 14.074 -5.276 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.077 12.899 -5.864 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.612 12.475 -7.218 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -11.782 12.045 -7.286 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -9.859 12.574 -8.209 1.00 0.00 O ATOM 0 H GLU A 112 -10.119 13.515 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.138 15.344 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.687 13.696 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.247 14.676 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.025 13.166 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.130 12.055 -5.176 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.686 15.909 -2.921 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.537 16.957 -2.369 1.00 0.00 C ATOM 1817 C LYS A 113 -11.700 18.133 -1.877 1.00 0.00 C ATOM 1818 O LYS A 113 -12.210 19.239 -1.703 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.384 16.403 -1.221 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.711 16.510 0.137 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.656 16.118 1.260 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.018 16.327 2.625 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.038 16.431 3.704 1.00 0.00 N ATOM 0 H LYS A 113 -11.823 14.990 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.197 17.310 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.333 16.938 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.614 15.357 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.831 15.867 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.364 17.531 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.570 16.708 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.942 15.072 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.344 15.498 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.413 17.234 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.563 16.573 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.666 17.237 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.599 15.556 3.737 1.00 0.00 H new ATOM 1837 N MET A 114 -10.413 17.887 -1.655 1.00 0.00 N ATOM 1838 CA MET A 114 -9.505 18.927 -1.185 1.00 0.00 C ATOM 1839 C MET A 114 -9.636 20.187 -2.035 1.00 0.00 C ATOM 1840 O MET A 114 -9.790 21.288 -1.509 1.00 0.00 O ATOM 1841 CB MET A 114 -8.060 18.425 -1.216 1.00 0.00 C ATOM 1842 CG MET A 114 -7.787 17.299 -0.232 1.00 0.00 C ATOM 1843 SD MET A 114 -7.329 17.903 1.404 1.00 0.00 S ATOM 1844 CE MET A 114 -6.772 16.388 2.180 1.00 0.00 C ATOM 0 H MET A 114 -9.975 16.976 -1.793 1.00 0.00 H new ATOM 0 HA MET A 114 -9.774 19.173 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.825 18.081 -2.223 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.390 19.257 -0.999 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.674 16.672 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.987 16.669 -0.620 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.017 16.620 2.931 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.617 15.891 2.656 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.342 15.729 1.425 1.00 0.00 H new