USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-2.2!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 1.19 K(o=1.2,f=-1.3) USER MOD Single : A 23 THR OG1 : rot 75:sc= 0.514 USER MOD Single : A 24 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.43) USER MOD Single : A 27 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.38) USER MOD Single : A 28 THR OG1 : rot 160:sc= 0.00286 USER MOD Single : A 29 GLN : amide:sc= -0.211 K(o=-0.21,f=-3.4!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.59) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0114 (180deg=-0.145) USER MOD Single : A 38 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 105:sc= -3.2 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.02) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -4.76 K(o=-4.8,f=-5.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= 0.0141 (180deg=0) USER MOD Single : A 74 SER OG : rot -70:sc= -0.923 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.8!) USER MOD Single : A 83 GLN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.799 10.865 9.578 1.00 0.00 N ATOM 69 CA HIS A 8 -7.248 10.415 8.305 1.00 0.00 C ATOM 70 C HIS A 8 -8.217 9.471 7.596 1.00 0.00 C ATOM 71 O HIS A 8 -8.271 8.280 7.904 1.00 0.00 O ATOM 72 CB HIS A 8 -5.908 9.713 8.527 1.00 0.00 C ATOM 73 CG HIS A 8 -4.946 10.508 9.353 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.735 10.301 10.698 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.125 11.530 8.999 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.816 11.184 11.112 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.413 11.954 10.118 1.00 0.00 N ATOM 0 HA HIS A 8 -7.093 11.290 7.674 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.086 8.754 9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.454 9.500 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.038 11.948 8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.452 11.256 12.126 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.723 12.704 10.161 1.00 0.00 H new ATOM 85 N PRO A 9 -9.002 9.989 6.633 1.00 0.00 N ATOM 86 CA PRO A 9 -9.970 9.179 5.886 1.00 0.00 C ATOM 87 C PRO A 9 -9.296 8.152 4.978 1.00 0.00 C ATOM 88 O PRO A 9 -9.918 7.174 4.566 1.00 0.00 O ATOM 89 CB PRO A 9 -10.735 10.209 5.050 1.00 0.00 C ATOM 90 CG PRO A 9 -9.801 11.362 4.921 1.00 0.00 C ATOM 91 CD PRO A 9 -9.009 11.399 6.198 1.00 0.00 C ATOM 0 HA PRO A 9 -10.605 8.596 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.003 9.806 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.663 10.504 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.146 11.238 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.348 12.293 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.999 11.775 6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.474 12.047 6.941 1.00 0.00 H new ATOM 99 N HIS A 10 -8.023 8.382 4.670 1.00 0.00 N ATOM 100 CA HIS A 10 -7.272 7.474 3.811 1.00 0.00 C ATOM 101 C HIS A 10 -6.443 6.499 4.641 1.00 0.00 C ATOM 102 O HIS A 10 -6.342 5.318 4.310 1.00 0.00 O ATOM 103 CB HIS A 10 -6.359 8.266 2.873 1.00 0.00 C ATOM 104 CG HIS A 10 -7.098 8.995 1.793 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.596 10.272 1.931 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.419 8.601 0.534 1.00 0.00 C ATOM 107 CE1 HIS A 10 -8.193 10.606 0.778 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.113 9.627 -0.102 1.00 0.00 N ATOM 0 H HIS A 10 -7.492 9.187 5.002 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.985 6.902 3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.786 8.985 3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.643 7.584 2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.175 7.645 0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.677 11.554 0.594 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.483 9.622 -1.052 1.00 0.00 H new ATOM 116 N ILE A 11 -5.851 7.001 5.719 1.00 0.00 N ATOM 117 CA ILE A 11 -5.030 6.174 6.595 1.00 0.00 C ATOM 118 C ILE A 11 -5.894 5.296 7.493 1.00 0.00 C ATOM 119 O ILE A 11 -5.521 4.169 7.821 1.00 0.00 O ATOM 120 CB ILE A 11 -4.104 7.034 7.476 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.372 8.072 6.625 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.110 6.153 8.218 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.482 8.995 7.429 1.00 0.00 C ATOM 0 H ILE A 11 -5.924 7.977 6.007 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.421 5.541 5.950 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.713 7.560 8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.767 7.557 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.106 8.669 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.463 6.775 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.650 5.449 8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.504 5.602 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.995 9.705 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.084 9.538 8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.725 8.408 7.949 1.00 0.00 H new ATOM 135 N GLN A 12 -7.051 5.817 7.887 1.00 0.00 N ATOM 136 CA GLN A 12 -7.968 5.078 8.748 1.00 0.00 C ATOM 137 C GLN A 12 -8.544 3.868 8.020 1.00 0.00 C ATOM 138 O GLN A 12 -8.863 2.853 8.640 1.00 0.00 O ATOM 139 CB GLN A 12 -9.101 5.990 9.223 1.00 0.00 C ATOM 140 CG GLN A 12 -10.026 5.334 10.235 1.00 0.00 C ATOM 141 CD GLN A 12 -10.704 6.341 11.143 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.253 7.342 10.679 1.00 0.00 O ATOM 143 NE2 GLN A 12 -10.672 6.081 12.445 1.00 0.00 N ATOM 0 H GLN A 12 -7.376 6.747 7.624 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.408 4.724 9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.672 6.889 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.687 6.308 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.785 4.757 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.455 4.630 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.206 5.240 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.113 6.722 13.104 1.00 0.00 H new ATOM 152 N LEU A 13 -8.676 3.982 6.702 1.00 0.00 N ATOM 153 CA LEU A 13 -9.215 2.897 5.891 1.00 0.00 C ATOM 154 C LEU A 13 -8.377 1.631 6.045 1.00 0.00 C ATOM 155 O LEU A 13 -8.895 0.518 5.961 1.00 0.00 O ATOM 156 CB LEU A 13 -9.266 3.311 4.418 1.00 0.00 C ATOM 157 CG LEU A 13 -10.470 4.169 4.028 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.317 4.689 2.608 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.759 3.375 4.171 1.00 0.00 C ATOM 0 H LEU A 13 -8.417 4.815 6.173 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.226 2.686 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.355 3.860 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.266 2.411 3.803 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.517 5.024 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.183 5.297 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.414 5.295 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.244 3.848 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.605 4.001 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.722 2.501 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.875 3.053 5.206 1.00 0.00 H new ATOM 171 N LEU A 14 -7.079 1.809 6.270 1.00 0.00 N ATOM 172 CA LEU A 14 -6.170 0.681 6.437 1.00 0.00 C ATOM 173 C LEU A 14 -6.238 0.131 7.857 1.00 0.00 C ATOM 174 O LEU A 14 -6.312 -1.080 8.062 1.00 0.00 O ATOM 175 CB LEU A 14 -4.737 1.102 6.107 1.00 0.00 C ATOM 176 CG LEU A 14 -4.533 1.666 4.700 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.417 2.698 4.695 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.230 0.544 3.717 1.00 0.00 C ATOM 0 H LEU A 14 -6.633 2.724 6.341 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.478 -0.106 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.419 1.852 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.083 0.239 6.234 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.454 2.158 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.287 3.088 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.674 3.515 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.489 2.232 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.087 0.962 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.323 0.025 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.063 -0.159 3.700 1.00 0.00 H new ATOM 190 N LYS A 15 -6.212 1.031 8.836 1.00 0.00 N ATOM 191 CA LYS A 15 -6.270 0.636 10.239 1.00 0.00 C ATOM 192 C LYS A 15 -7.602 -0.031 10.563 1.00 0.00 C ATOM 193 O LYS A 15 -7.665 -0.953 11.377 1.00 0.00 O ATOM 194 CB LYS A 15 -6.063 1.854 11.140 1.00 0.00 C ATOM 195 CG LYS A 15 -4.651 2.417 11.089 1.00 0.00 C ATOM 196 CD LYS A 15 -4.492 3.607 12.022 1.00 0.00 C ATOM 197 CE LYS A 15 -4.518 4.921 11.258 1.00 0.00 C ATOM 198 NZ LYS A 15 -5.230 5.989 12.013 1.00 0.00 N ATOM 0 H LYS A 15 -6.151 2.038 8.683 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.472 -0.084 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.767 2.634 10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.298 1.579 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.938 1.640 11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.415 2.719 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.292 3.600 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.552 3.520 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.497 5.241 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.005 4.771 10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.225 6.868 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.212 5.695 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.750 6.151 12.922 1.00 0.00 H new ATOM 212 N SER A 16 -8.667 0.441 9.923 1.00 0.00 N ATOM 213 CA SER A 16 -9.999 -0.108 10.146 1.00 0.00 C ATOM 214 C SER A 16 -10.179 -1.422 9.391 1.00 0.00 C ATOM 215 O SER A 16 -10.785 -2.364 9.901 1.00 0.00 O ATOM 216 CB SER A 16 -11.068 0.895 9.708 1.00 0.00 C ATOM 217 OG SER A 16 -12.174 0.881 10.595 1.00 0.00 O ATOM 0 H SER A 16 -8.633 1.203 9.246 1.00 0.00 H new ATOM 0 HA SER A 16 -10.110 -0.303 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.639 1.896 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.404 0.656 8.699 1.00 0.00 H new ATOM 0 HG SER A 16 -12.843 1.532 10.295 1.00 0.00 H new ATOM 223 N ASN A 17 -9.650 -1.477 8.173 1.00 0.00 N ATOM 224 CA ASN A 17 -9.754 -2.675 7.349 1.00 0.00 C ATOM 225 C ASN A 17 -8.413 -3.397 7.264 1.00 0.00 C ATOM 226 O ASN A 17 -8.057 -3.947 6.223 1.00 0.00 O ATOM 227 CB ASN A 17 -10.241 -2.312 5.944 1.00 0.00 C ATOM 228 CG ASN A 17 -11.557 -1.558 5.966 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.629 -2.159 6.026 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.480 -0.234 5.917 1.00 0.00 N ATOM 0 H ASN A 17 -9.145 -0.706 7.735 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.477 -3.344 7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.485 -1.704 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.357 -3.222 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.332 0.327 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.569 0.222 5.868 1.00 0.00 H new ATOM 237 N ARG A 18 -7.672 -3.390 8.368 1.00 0.00 N ATOM 238 CA ARG A 18 -6.370 -4.044 8.419 1.00 0.00 C ATOM 239 C ARG A 18 -6.501 -5.540 8.154 1.00 0.00 C ATOM 240 O ARG A 18 -5.816 -6.091 7.291 1.00 0.00 O ATOM 241 CB ARG A 18 -5.713 -3.812 9.781 1.00 0.00 C ATOM 242 CG ARG A 18 -4.210 -4.035 9.777 1.00 0.00 C ATOM 243 CD ARG A 18 -3.636 -3.997 11.184 1.00 0.00 C ATOM 244 NE ARG A 18 -3.300 -2.637 11.604 1.00 0.00 N ATOM 245 CZ ARG A 18 -4.161 -1.802 12.182 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.414 -2.179 12.414 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.768 -0.585 12.533 1.00 0.00 N ATOM 0 H ARG A 18 -7.951 -2.939 9.239 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.743 -3.609 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.920 -2.792 10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.169 -4.478 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.985 -4.998 9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.730 -3.270 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.357 -4.424 11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.743 -4.621 11.228 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.348 -2.308 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.723 -3.114 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.067 -1.533 12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.807 -0.290 12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.427 0.056 12.976 1.00 0.00 H new ATOM 261 N GLU A 19 -7.384 -6.194 8.901 1.00 0.00 N ATOM 262 CA GLU A 19 -7.605 -7.627 8.747 1.00 0.00 C ATOM 263 C GLU A 19 -8.356 -7.928 7.454 1.00 0.00 C ATOM 264 O GLU A 19 -8.157 -8.975 6.838 1.00 0.00 O ATOM 265 CB GLU A 19 -8.385 -8.175 9.943 1.00 0.00 C ATOM 266 CG GLU A 19 -7.667 -8.000 11.271 1.00 0.00 C ATOM 267 CD GLU A 19 -7.928 -9.143 12.231 1.00 0.00 C ATOM 268 OE1 GLU A 19 -9.107 -9.520 12.399 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.954 -9.663 12.814 1.00 0.00 O ATOM 0 H GLU A 19 -7.959 -5.754 9.620 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.632 -8.116 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.353 -7.676 9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.581 -9.235 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.595 -7.919 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.985 -7.064 11.731 1.00 0.00 H new ATOM 276 N LEU A 20 -9.220 -7.002 7.049 1.00 0.00 N ATOM 277 CA LEU A 20 -10.002 -7.169 5.829 1.00 0.00 C ATOM 278 C LEU A 20 -9.124 -7.004 4.593 1.00 0.00 C ATOM 279 O LEU A 20 -9.372 -7.619 3.557 1.00 0.00 O ATOM 280 CB LEU A 20 -11.149 -6.158 5.793 1.00 0.00 C ATOM 281 CG LEU A 20 -12.124 -6.326 4.625 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.286 -7.221 5.026 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.630 -4.971 4.154 1.00 0.00 C ATOM 0 H LEU A 20 -9.396 -6.130 7.547 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.415 -8.178 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.708 -6.232 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.727 -5.154 5.753 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.594 -6.800 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.969 -7.329 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.907 -8.201 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.816 -6.774 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.322 -5.110 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.144 -4.469 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.788 -4.362 3.827 1.00 0.00 H new ATOM 295 N LEU A 21 -8.097 -6.169 4.711 1.00 0.00 N ATOM 296 CA LEU A 21 -7.181 -5.923 3.602 1.00 0.00 C ATOM 297 C LEU A 21 -6.268 -7.122 3.370 1.00 0.00 C ATOM 298 O LEU A 21 -5.847 -7.385 2.244 1.00 0.00 O ATOM 299 CB LEU A 21 -6.342 -4.672 3.876 1.00 0.00 C ATOM 300 CG LEU A 21 -6.997 -3.351 3.466 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.700 -2.264 4.490 1.00 0.00 C ATOM 302 CD2 LEU A 21 -6.523 -2.930 2.082 1.00 0.00 C ATOM 0 H LEU A 21 -7.878 -5.652 5.562 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.775 -5.765 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.114 -4.632 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.392 -4.768 3.350 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.076 -3.498 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.174 -1.333 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.090 -2.564 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.622 -2.116 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.998 -1.989 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.441 -2.801 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.790 -3.698 1.357 1.00 0.00 H new ATOM 314 N VAL A 22 -5.965 -7.846 4.442 1.00 0.00 N ATOM 315 CA VAL A 22 -5.101 -9.017 4.354 1.00 0.00 C ATOM 316 C VAL A 22 -5.827 -10.189 3.701 1.00 0.00 C ATOM 317 O VAL A 22 -5.241 -10.940 2.921 1.00 0.00 O ATOM 318 CB VAL A 22 -4.596 -9.451 5.744 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.579 -10.575 5.619 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.001 -8.266 6.491 1.00 0.00 C ATOM 0 H VAL A 22 -6.305 -7.642 5.382 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.247 -8.733 3.739 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.445 -9.824 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.235 -10.867 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.042 -11.432 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.730 -10.233 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.650 -8.592 7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.164 -7.860 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.762 -7.496 6.616 1.00 0.00 H new ATOM 330 N THR A 23 -7.106 -10.340 4.027 1.00 0.00 N ATOM 331 CA THR A 23 -7.915 -11.421 3.473 1.00 0.00 C ATOM 332 C THR A 23 -8.207 -11.184 1.994 1.00 0.00 C ATOM 333 O THR A 23 -8.379 -12.132 1.227 1.00 0.00 O ATOM 334 CB THR A 23 -9.226 -11.553 4.249 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.983 -11.570 5.645 1.00 0.00 O ATOM 336 CG2 THR A 23 -10.002 -12.806 3.903 1.00 0.00 C ATOM 0 H THR A 23 -7.605 -9.728 4.672 1.00 0.00 H new ATOM 0 HA THR A 23 -7.349 -12.348 3.567 1.00 0.00 H new ATOM 0 HB THR A 23 -9.820 -10.686 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.763 -10.665 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.921 -12.838 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.248 -12.800 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.396 -13.683 4.130 1.00 0.00 H new ATOM 344 N HIS A 24 -8.265 -9.916 1.601 1.00 0.00 N ATOM 345 CA HIS A 24 -8.539 -9.559 0.214 1.00 0.00 C ATOM 346 C HIS A 24 -7.257 -9.542 -0.612 1.00 0.00 C ATOM 347 O HIS A 24 -7.138 -10.259 -1.606 1.00 0.00 O ATOM 348 CB HIS A 24 -9.221 -8.191 0.144 1.00 0.00 C ATOM 349 CG HIS A 24 -10.670 -8.224 0.520 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.453 -9.356 0.460 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.480 -7.232 0.971 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.687 -9.023 0.865 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.755 -7.746 1.187 1.00 0.00 N ATOM 0 H HIS A 24 -8.126 -9.119 2.223 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.206 -10.314 -0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.698 -7.499 0.805 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.126 -7.798 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.182 -6.207 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.517 -9.711 0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.573 -7.239 1.525 1.00 0.00 H new ATOM 361 N ILE A 25 -6.299 -8.720 -0.195 1.00 0.00 N ATOM 362 CA ILE A 25 -5.027 -8.611 -0.899 1.00 0.00 C ATOM 363 C ILE A 25 -4.231 -9.909 -0.798 1.00 0.00 C ATOM 364 O ILE A 25 -3.996 -10.422 0.296 1.00 0.00 O ATOM 365 CB ILE A 25 -4.174 -7.453 -0.347 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.980 -6.152 -0.345 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.901 -7.290 -1.166 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.393 -5.079 0.546 1.00 0.00 C ATOM 0 H ILE A 25 -6.380 -8.120 0.626 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.261 -8.411 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.894 -7.689 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.043 -5.772 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.998 -6.365 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.311 -6.468 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.319 -8.211 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.160 -7.075 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.016 -4.186 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.355 -5.440 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.385 -4.837 0.209 1.00 0.00 H new ATOM 380 N ARG A 26 -3.819 -10.434 -1.948 1.00 0.00 N ATOM 381 CA ARG A 26 -3.048 -11.671 -1.992 1.00 0.00 C ATOM 382 C ARG A 26 -1.632 -11.409 -2.495 1.00 0.00 C ATOM 383 O ARG A 26 -0.673 -12.024 -2.028 1.00 0.00 O ATOM 384 CB ARG A 26 -3.740 -12.696 -2.892 1.00 0.00 C ATOM 385 CG ARG A 26 -3.498 -14.136 -2.470 1.00 0.00 C ATOM 386 CD ARG A 26 -4.791 -14.936 -2.439 1.00 0.00 C ATOM 387 NE ARG A 26 -4.551 -16.356 -2.201 1.00 0.00 N ATOM 388 CZ ARG A 26 -4.169 -16.858 -1.029 1.00 0.00 C ATOM 389 NH1 ARG A 26 -3.982 -16.057 0.014 1.00 0.00 N ATOM 390 NH2 ARG A 26 -3.973 -18.163 -0.898 1.00 0.00 N ATOM 0 H ARG A 26 -4.006 -10.022 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.988 -12.070 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.812 -12.501 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.391 -12.562 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.796 -14.605 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.035 -14.154 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.442 -14.543 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.317 -14.811 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.684 -17.002 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.131 -15.052 -0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.689 -16.446 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.115 -18.783 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.680 -18.547 0.000 1.00 0.00 H new ATOM 404 N ASN A 27 -1.509 -10.491 -3.449 1.00 0.00 N ATOM 405 CA ASN A 27 -0.210 -10.147 -4.015 1.00 0.00 C ATOM 406 C ASN A 27 0.325 -8.857 -3.401 1.00 0.00 C ATOM 407 O ASN A 27 -0.266 -7.789 -3.562 1.00 0.00 O ATOM 408 CB ASN A 27 -0.317 -9.999 -5.535 1.00 0.00 C ATOM 409 CG ASN A 27 0.216 -11.212 -6.272 1.00 0.00 C ATOM 410 OD1 ASN A 27 0.141 -12.337 -5.778 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.761 -10.989 -7.462 1.00 0.00 N ATOM 0 H ASN A 27 -2.293 -9.973 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 27 0.486 -10.953 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.360 -9.840 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.235 -9.114 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.138 -11.766 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.803 -10.040 -7.834 1.00 0.00 H new ATOM 418 N THR A 28 1.446 -8.964 -2.697 1.00 0.00 N ATOM 419 CA THR A 28 2.061 -7.807 -2.057 1.00 0.00 C ATOM 420 C THR A 28 3.255 -7.308 -2.866 1.00 0.00 C ATOM 421 O THR A 28 3.578 -6.121 -2.846 1.00 0.00 O ATOM 422 CB THR A 28 2.504 -8.159 -0.636 1.00 0.00 C ATOM 423 OG1 THR A 28 3.207 -9.389 -0.619 1.00 0.00 O ATOM 424 CG2 THR A 28 1.352 -8.272 0.339 1.00 0.00 C ATOM 0 H THR A 28 1.948 -9.841 -2.555 1.00 0.00 H new ATOM 0 HA THR A 28 1.318 -7.011 -2.011 1.00 0.00 H new ATOM 0 HB THR A 28 3.145 -7.336 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.748 -9.445 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.736 -8.524 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.821 -7.321 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.668 -9.053 0.006 1.00 0.00 H new ATOM 432 N GLN A 29 3.907 -8.224 -3.576 1.00 0.00 N ATOM 433 CA GLN A 29 5.066 -7.877 -4.391 1.00 0.00 C ATOM 434 C GLN A 29 4.713 -6.799 -5.413 1.00 0.00 C ATOM 435 O GLN A 29 5.471 -5.851 -5.617 1.00 0.00 O ATOM 436 CB GLN A 29 5.603 -9.121 -5.104 1.00 0.00 C ATOM 437 CG GLN A 29 7.059 -9.420 -4.791 1.00 0.00 C ATOM 438 CD GLN A 29 7.997 -8.341 -5.295 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.592 -7.449 -6.041 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.259 -8.417 -4.890 1.00 0.00 N ATOM 0 H GLN A 29 3.652 -9.211 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 29 5.839 -7.483 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.996 -9.981 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.491 -8.990 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.180 -9.527 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.335 -10.374 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.551 -9.174 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.936 -7.719 -5.197 1.00 0.00 H new ATOM 449 N CYS A 30 3.559 -6.954 -6.052 1.00 0.00 N ATOM 450 CA CYS A 30 3.105 -5.994 -7.053 1.00 0.00 C ATOM 451 C CYS A 30 2.936 -4.608 -6.440 1.00 0.00 C ATOM 452 O CYS A 30 3.310 -3.602 -7.042 1.00 0.00 O ATOM 453 CB CYS A 30 1.785 -6.457 -7.673 1.00 0.00 C ATOM 454 SG CYS A 30 1.667 -6.176 -9.455 1.00 0.00 S ATOM 0 H CYS A 30 2.921 -7.734 -5.895 1.00 0.00 H new ATOM 0 HA CYS A 30 3.863 -5.935 -7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.656 -7.521 -7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.963 -5.939 -7.179 1.00 0.00 H new ATOM 0 HG CYS A 30 0.517 -6.602 -9.886 1.00 0.00 H new ATOM 460 N LEU A 31 2.369 -4.563 -5.239 1.00 0.00 N ATOM 461 CA LEU A 31 2.149 -3.300 -4.543 1.00 0.00 C ATOM 462 C LEU A 31 3.474 -2.679 -4.110 1.00 0.00 C ATOM 463 O LEU A 31 3.644 -1.461 -4.155 1.00 0.00 O ATOM 464 CB LEU A 31 1.252 -3.515 -3.323 1.00 0.00 C ATOM 465 CG LEU A 31 -0.202 -3.869 -3.642 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.969 -4.176 -2.365 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.870 -2.736 -4.407 1.00 0.00 C ATOM 0 H LEU A 31 2.053 -5.387 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 31 1.655 -2.616 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.679 -4.312 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.265 -2.609 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.210 -4.760 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.001 -4.426 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.504 -5.019 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.953 -3.303 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.904 -3.004 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.851 -1.829 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.335 -2.562 -5.341 1.00 0.00 H new ATOM 479 N VAL A 32 4.409 -3.525 -3.690 1.00 0.00 N ATOM 480 CA VAL A 32 5.718 -3.059 -3.247 1.00 0.00 C ATOM 481 C VAL A 32 6.580 -2.631 -4.430 1.00 0.00 C ATOM 482 O VAL A 32 7.363 -1.687 -4.330 1.00 0.00 O ATOM 483 CB VAL A 32 6.463 -4.148 -2.450 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.756 -3.597 -1.869 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.574 -4.711 -1.352 1.00 0.00 C ATOM 0 H VAL A 32 4.285 -4.536 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 32 5.544 -2.200 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 32 6.716 -4.960 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.267 -4.381 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.399 -3.250 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.530 -2.765 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.118 -5.478 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.286 -3.910 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.680 -5.149 -1.796 1.00 0.00 H new ATOM 495 N ASP A 33 6.430 -3.332 -5.549 1.00 0.00 N ATOM 496 CA ASP A 33 7.197 -3.024 -6.751 1.00 0.00 C ATOM 497 C ASP A 33 6.906 -1.605 -7.234 1.00 0.00 C ATOM 498 O ASP A 33 7.824 -0.833 -7.511 1.00 0.00 O ATOM 499 CB ASP A 33 6.877 -4.031 -7.858 1.00 0.00 C ATOM 500 CG ASP A 33 8.126 -4.643 -8.461 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.002 -3.877 -8.915 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.228 -5.888 -8.480 1.00 0.00 O ATOM 0 H ASP A 33 5.785 -4.116 -5.649 1.00 0.00 H new ATOM 0 HA ASP A 33 8.256 -3.093 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.246 -4.823 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.304 -3.536 -8.642 1.00 0.00 H new ATOM 507 N ASN A 34 5.624 -1.270 -7.334 1.00 0.00 N ATOM 508 CA ASN A 34 5.213 0.055 -7.783 1.00 0.00 C ATOM 509 C ASN A 34 5.642 1.125 -6.784 1.00 0.00 C ATOM 510 O ASN A 34 6.094 2.203 -7.170 1.00 0.00 O ATOM 511 CB ASN A 34 3.697 0.103 -7.980 1.00 0.00 C ATOM 512 CG ASN A 34 3.189 -1.041 -8.837 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.911 -1.563 -9.686 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.941 -1.435 -8.618 1.00 0.00 N ATOM 0 H ASN A 34 4.852 -1.898 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 34 5.702 0.256 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.206 0.071 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.423 1.051 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.544 -2.200 -9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.378 -0.973 -7.903 1.00 0.00 H new ATOM 521 N LEU A 35 5.499 0.820 -5.499 1.00 0.00 N ATOM 522 CA LEU A 35 5.873 1.755 -4.444 1.00 0.00 C ATOM 523 C LEU A 35 7.377 2.011 -4.455 1.00 0.00 C ATOM 524 O LEU A 35 7.833 3.101 -4.109 1.00 0.00 O ATOM 525 CB LEU A 35 5.447 1.214 -3.078 1.00 0.00 C ATOM 526 CG LEU A 35 3.939 1.214 -2.823 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.595 0.297 -1.659 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.444 2.627 -2.554 1.00 0.00 C ATOM 0 H LEU A 35 5.127 -0.068 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 35 5.359 2.698 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.817 0.194 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.931 1.807 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 35 3.439 0.839 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.518 0.310 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.915 -0.719 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.106 0.643 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.369 2.608 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.951 3.029 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.657 3.258 -3.417 1.00 0.00 H new ATOM 540 N LEU A 36 8.141 0.999 -4.854 1.00 0.00 N ATOM 541 CA LEU A 36 9.594 1.114 -4.910 1.00 0.00 C ATOM 542 C LEU A 36 10.028 1.945 -6.113 1.00 0.00 C ATOM 543 O LEU A 36 10.936 2.771 -6.015 1.00 0.00 O ATOM 544 CB LEU A 36 10.233 -0.274 -4.976 1.00 0.00 C ATOM 545 CG LEU A 36 10.219 -1.057 -3.662 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.522 -2.526 -3.913 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.220 -0.465 -2.680 1.00 0.00 C ATOM 0 H LEU A 36 7.778 0.091 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 36 9.930 1.618 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.715 -0.860 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.266 -0.166 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 36 9.223 -0.982 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.508 -3.067 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.769 -2.944 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.507 -2.621 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.197 -1.034 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.221 -0.510 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.959 0.574 -2.476 1.00 0.00 H new ATOM 559 N LYS A 37 9.374 1.722 -7.248 1.00 0.00 N ATOM 560 CA LYS A 37 9.693 2.450 -8.471 1.00 0.00 C ATOM 561 C LYS A 37 9.248 3.905 -8.368 1.00 0.00 C ATOM 562 O LYS A 37 9.888 4.802 -8.917 1.00 0.00 O ATOM 563 CB LYS A 37 9.027 1.784 -9.676 1.00 0.00 C ATOM 564 CG LYS A 37 9.632 2.193 -11.010 1.00 0.00 C ATOM 565 CD LYS A 37 10.200 0.998 -11.758 1.00 0.00 C ATOM 566 CE LYS A 37 11.338 1.407 -12.680 1.00 0.00 C ATOM 567 NZ LYS A 37 12.573 1.748 -11.922 1.00 0.00 N ATOM 0 H LYS A 37 8.620 1.043 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 37 10.774 2.428 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.102 0.702 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.966 2.032 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.871 2.677 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.421 2.926 -10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.558 0.257 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.411 0.524 -12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.552 0.595 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.030 2.265 -13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.387 1.756 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.466 2.687 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.730 1.039 -11.178 1.00 0.00 H new ATOM 581 N ASN A 38 8.145 4.132 -7.661 1.00 0.00 N ATOM 582 CA ASN A 38 7.613 5.478 -7.485 1.00 0.00 C ATOM 583 C ASN A 38 8.398 6.254 -6.427 1.00 0.00 C ATOM 584 O ASN A 38 8.143 7.436 -6.199 1.00 0.00 O ATOM 585 CB ASN A 38 6.135 5.416 -7.094 1.00 0.00 C ATOM 586 CG ASN A 38 5.229 5.208 -8.292 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.386 6.050 -8.600 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.399 4.082 -8.974 1.00 0.00 N ATOM 0 H ASN A 38 7.603 3.401 -7.201 1.00 0.00 H new ATOM 0 HA ASN A 38 7.714 6.002 -8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.984 4.604 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.857 6.340 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.818 3.887 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.111 3.412 -8.683 1.00 0.00 H new ATOM 595 N ASP A 39 9.350 5.584 -5.779 1.00 0.00 N ATOM 596 CA ASP A 39 10.165 6.217 -4.746 1.00 0.00 C ATOM 597 C ASP A 39 9.330 6.519 -3.505 1.00 0.00 C ATOM 598 O ASP A 39 9.519 7.545 -2.852 1.00 0.00 O ATOM 599 CB ASP A 39 10.802 7.504 -5.278 1.00 0.00 C ATOM 600 CG ASP A 39 12.278 7.600 -4.945 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.628 7.453 -3.755 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.082 7.821 -5.873 1.00 0.00 O ATOM 0 H ASP A 39 9.575 4.604 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 39 10.957 5.522 -4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.673 7.550 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.281 8.364 -4.858 1.00 0.00 H new ATOM 607 N TYR A 40 8.408 5.617 -3.186 1.00 0.00 N ATOM 608 CA TYR A 40 7.544 5.785 -2.022 1.00 0.00 C ATOM 609 C TYR A 40 8.042 4.944 -0.852 1.00 0.00 C ATOM 610 O TYR A 40 8.168 5.437 0.270 1.00 0.00 O ATOM 611 CB TYR A 40 6.105 5.397 -2.369 1.00 0.00 C ATOM 612 CG TYR A 40 5.323 6.504 -3.041 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.771 7.076 -4.223 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.137 6.974 -2.491 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.060 8.087 -4.841 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.419 7.984 -3.103 1.00 0.00 C ATOM 617 CZ TYR A 40 3.885 8.538 -4.277 1.00 0.00 C ATOM 618 OH TYR A 40 3.174 9.544 -4.890 1.00 0.00 O ATOM 0 H TYR A 40 8.239 4.762 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 40 7.569 6.835 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.121 4.526 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.588 5.101 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.691 6.725 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.770 6.543 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.423 8.522 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.498 8.338 -2.664 1.00 0.00 H new ATOM 0 HH TYR A 40 2.371 9.744 -4.365 1.00 0.00 H new ATOM 628 N PHE A 41 8.322 3.673 -1.120 1.00 0.00 N ATOM 629 CA PHE A 41 8.807 2.763 -0.089 1.00 0.00 C ATOM 630 C PHE A 41 10.332 2.724 -0.074 1.00 0.00 C ATOM 631 O PHE A 41 10.969 2.558 -1.113 1.00 0.00 O ATOM 632 CB PHE A 41 8.248 1.356 -0.318 1.00 0.00 C ATOM 633 CG PHE A 41 7.149 0.985 0.636 1.00 0.00 C ATOM 634 CD1 PHE A 41 5.948 1.678 0.634 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.315 -0.057 1.533 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.935 1.338 1.510 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.306 -0.401 2.412 1.00 0.00 C ATOM 638 CZ PHE A 41 5.114 0.297 2.400 1.00 0.00 C ATOM 0 H PHE A 41 8.221 3.250 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 41 8.462 3.129 0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.872 1.285 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.058 0.632 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.803 2.493 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.244 -0.607 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.004 1.886 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.449 -1.215 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.323 0.029 3.085 1.00 0.00 H new ATOM 648 N SER A 42 10.911 2.879 1.113 1.00 0.00 N ATOM 649 CA SER A 42 12.361 2.861 1.263 1.00 0.00 C ATOM 650 C SER A 42 12.878 1.433 1.397 1.00 0.00 C ATOM 651 O SER A 42 12.103 0.497 1.594 1.00 0.00 O ATOM 652 CB SER A 42 12.777 3.681 2.486 1.00 0.00 C ATOM 653 OG SER A 42 12.175 4.965 2.468 1.00 0.00 O ATOM 0 H SER A 42 10.398 3.018 1.984 1.00 0.00 H new ATOM 0 HA SER A 42 12.799 3.304 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.490 3.154 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.862 3.785 2.506 1.00 0.00 H new ATOM 0 HG SER A 42 12.455 5.469 3.261 1.00 0.00 H new ATOM 659 N ALA A 43 14.193 1.272 1.285 1.00 0.00 N ATOM 660 CA ALA A 43 14.814 -0.043 1.392 1.00 0.00 C ATOM 661 C ALA A 43 14.610 -0.635 2.782 1.00 0.00 C ATOM 662 O ALA A 43 14.519 -1.852 2.941 1.00 0.00 O ATOM 663 CB ALA A 43 16.298 0.047 1.067 1.00 0.00 C ATOM 0 H ALA A 43 14.849 2.036 1.120 1.00 0.00 H new ATOM 0 HA ALA A 43 14.334 -0.704 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.749 -0.942 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.426 0.419 0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.783 0.728 1.767 1.00 0.00 H new ATOM 669 N GLU A 44 14.540 0.234 3.785 1.00 0.00 N ATOM 670 CA GLU A 44 14.347 -0.203 5.163 1.00 0.00 C ATOM 671 C GLU A 44 12.955 -0.796 5.356 1.00 0.00 C ATOM 672 O GLU A 44 12.761 -1.698 6.170 1.00 0.00 O ATOM 673 CB GLU A 44 14.556 0.969 6.125 1.00 0.00 C ATOM 674 CG GLU A 44 15.894 0.932 6.845 1.00 0.00 C ATOM 675 CD GLU A 44 15.880 0.019 8.054 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.157 0.330 9.024 1.00 0.00 O ATOM 677 OE2 GLU A 44 16.590 -1.008 8.031 1.00 0.00 O ATOM 0 H GLU A 44 14.614 1.245 3.669 1.00 0.00 H new ATOM 0 HA GLU A 44 15.083 -0.977 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.477 1.903 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.755 0.969 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.666 0.599 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.161 1.941 7.159 1.00 0.00 H new ATOM 684 N ASP A 45 11.988 -0.282 4.602 1.00 0.00 N ATOM 685 CA ASP A 45 10.613 -0.761 4.690 1.00 0.00 C ATOM 686 C ASP A 45 10.477 -2.147 4.069 1.00 0.00 C ATOM 687 O ASP A 45 9.973 -3.075 4.701 1.00 0.00 O ATOM 688 CB ASP A 45 9.665 0.218 3.997 1.00 0.00 C ATOM 689 CG ASP A 45 9.173 1.307 4.930 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.973 1.779 5.766 1.00 0.00 O ATOM 691 OD2 ASP A 45 7.989 1.688 4.825 1.00 0.00 O ATOM 0 H ASP A 45 12.131 0.466 3.923 1.00 0.00 H new ATOM 0 HA ASP A 45 10.346 -0.829 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.175 0.674 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.810 -0.329 3.599 1.00 0.00 H new ATOM 696 N ALA A 46 10.929 -2.280 2.826 1.00 0.00 N ATOM 697 CA ALA A 46 10.857 -3.552 2.117 1.00 0.00 C ATOM 698 C ALA A 46 11.559 -4.660 2.897 1.00 0.00 C ATOM 699 O ALA A 46 11.191 -5.831 2.796 1.00 0.00 O ATOM 700 CB ALA A 46 11.464 -3.416 0.729 1.00 0.00 C ATOM 0 H ALA A 46 11.349 -1.522 2.289 1.00 0.00 H new ATOM 0 HA ALA A 46 9.806 -3.825 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.404 -4.373 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.916 -2.662 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.508 -3.116 0.816 1.00 0.00 H new ATOM 706 N GLU A 47 12.568 -4.284 3.673 1.00 0.00 N ATOM 707 CA GLU A 47 13.321 -5.246 4.470 1.00 0.00 C ATOM 708 C GLU A 47 12.450 -5.839 5.575 1.00 0.00 C ATOM 709 O GLU A 47 12.646 -6.983 5.985 1.00 0.00 O ATOM 710 CB GLU A 47 14.557 -4.581 5.078 1.00 0.00 C ATOM 711 CG GLU A 47 15.814 -5.429 4.977 1.00 0.00 C ATOM 712 CD GLU A 47 16.759 -5.213 6.143 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.297 -5.272 7.301 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.963 -4.985 5.898 1.00 0.00 O ATOM 0 H GLU A 47 12.884 -3.319 3.768 1.00 0.00 H new ATOM 0 HA GLU A 47 13.640 -6.054 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.730 -3.628 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.361 -4.359 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.535 -6.482 4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.332 -5.195 4.047 1.00 0.00 H new ATOM 721 N ILE A 48 11.491 -5.053 6.053 1.00 0.00 N ATOM 722 CA ILE A 48 10.593 -5.502 7.110 1.00 0.00 C ATOM 723 C ILE A 48 9.414 -6.282 6.537 1.00 0.00 C ATOM 724 O ILE A 48 8.967 -7.268 7.123 1.00 0.00 O ATOM 725 CB ILE A 48 10.057 -4.315 7.933 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.210 -3.410 8.374 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.279 -4.815 9.142 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.755 -2.067 8.904 1.00 0.00 C ATOM 0 H ILE A 48 11.316 -4.103 5.725 1.00 0.00 H new ATOM 0 HA ILE A 48 11.174 -6.155 7.762 1.00 0.00 H new ATOM 0 HB ILE A 48 9.381 -3.734 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.787 -3.920 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.880 -3.250 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.907 -3.964 9.713 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.438 -5.423 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.934 -5.417 9.773 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.624 -1.478 9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.204 -1.537 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.109 -2.217 9.769 1.00 0.00 H new ATOM 740 N VAL A 49 8.915 -5.835 5.390 1.00 0.00 N ATOM 741 CA VAL A 49 7.787 -6.493 4.739 1.00 0.00 C ATOM 742 C VAL A 49 8.169 -7.893 4.268 1.00 0.00 C ATOM 743 O VAL A 49 7.473 -8.866 4.555 1.00 0.00 O ATOM 744 CB VAL A 49 7.276 -5.677 3.534 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.033 -6.321 2.938 1.00 0.00 C ATOM 746 CG2 VAL A 49 6.995 -4.240 3.944 1.00 0.00 C ATOM 0 H VAL A 49 9.273 -5.020 4.892 1.00 0.00 H new ATOM 0 HA VAL A 49 6.991 -6.565 5.480 1.00 0.00 H new ATOM 0 HB VAL A 49 8.053 -5.669 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.688 -5.730 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.271 -7.331 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.248 -6.364 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.635 -3.679 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.237 -4.227 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.911 -3.783 4.318 1.00 0.00 H new ATOM 756 N CYS A 50 9.279 -7.985 3.544 1.00 0.00 N ATOM 757 CA CYS A 50 9.755 -9.266 3.034 1.00 0.00 C ATOM 758 C CYS A 50 10.148 -10.197 4.177 1.00 0.00 C ATOM 759 O CYS A 50 10.084 -11.420 4.044 1.00 0.00 O ATOM 760 CB CYS A 50 10.948 -9.055 2.100 1.00 0.00 C ATOM 761 SG CYS A 50 10.498 -8.487 0.444 1.00 0.00 S ATOM 0 H CYS A 50 9.866 -7.188 3.297 1.00 0.00 H new ATOM 0 HA CYS A 50 8.942 -9.730 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.624 -8.328 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.498 -9.992 2.014 1.00 0.00 H new ATOM 0 HG CYS A 50 11.574 -8.336 -0.270 1.00 0.00 H new ATOM 767 N ALA A 51 10.555 -9.612 5.299 1.00 0.00 N ATOM 768 CA ALA A 51 10.959 -10.389 6.466 1.00 0.00 C ATOM 769 C ALA A 51 9.849 -11.335 6.916 1.00 0.00 C ATOM 770 O ALA A 51 10.112 -12.352 7.558 1.00 0.00 O ATOM 771 CB ALA A 51 11.356 -9.461 7.604 1.00 0.00 C ATOM 0 H ALA A 51 10.614 -8.602 5.425 1.00 0.00 H new ATOM 0 HA ALA A 51 11.820 -10.995 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.655 -10.053 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.189 -8.833 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.508 -8.830 7.872 1.00 0.00 H new ATOM 777 N CYS A 52 8.609 -10.996 6.576 1.00 0.00 N ATOM 778 CA CYS A 52 7.461 -11.818 6.947 1.00 0.00 C ATOM 779 C CYS A 52 7.635 -13.256 6.459 1.00 0.00 C ATOM 780 O CYS A 52 8.301 -13.503 5.453 1.00 0.00 O ATOM 781 CB CYS A 52 6.175 -11.224 6.370 1.00 0.00 C ATOM 782 SG CYS A 52 5.482 -9.874 7.352 1.00 0.00 S ATOM 0 H CYS A 52 8.373 -10.158 6.044 1.00 0.00 H new ATOM 0 HA CYS A 52 7.393 -11.830 8.035 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.375 -10.860 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.430 -12.015 6.281 1.00 0.00 H new ATOM 0 HG CYS A 52 5.724 -8.741 6.763 1.00 0.00 H new ATOM 788 N PRO A 53 7.037 -14.227 7.171 1.00 0.00 N ATOM 789 CA PRO A 53 7.131 -15.643 6.809 1.00 0.00 C ATOM 790 C PRO A 53 6.230 -16.005 5.632 1.00 0.00 C ATOM 791 O PRO A 53 6.648 -16.712 4.715 1.00 0.00 O ATOM 792 CB PRO A 53 6.666 -16.356 8.078 1.00 0.00 C ATOM 793 CG PRO A 53 5.724 -15.399 8.722 1.00 0.00 C ATOM 794 CD PRO A 53 6.227 -14.019 8.388 1.00 0.00 C ATOM 0 HA PRO A 53 8.136 -15.919 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.174 -17.300 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.506 -16.587 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.709 -15.543 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.693 -15.551 9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.405 -13.326 8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.824 -13.603 9.200 1.00 0.00 H new ATOM 802 N THR A 54 4.995 -15.519 5.667 1.00 0.00 N ATOM 803 CA THR A 54 4.035 -15.795 4.603 1.00 0.00 C ATOM 804 C THR A 54 3.625 -14.510 3.890 1.00 0.00 C ATOM 805 O THR A 54 4.123 -13.429 4.202 1.00 0.00 O ATOM 806 CB THR A 54 2.799 -16.491 5.174 1.00 0.00 C ATOM 807 OG1 THR A 54 2.234 -15.729 6.226 1.00 0.00 O ATOM 808 CG2 THR A 54 3.087 -17.876 5.712 1.00 0.00 C ATOM 0 H THR A 54 4.634 -14.932 6.419 1.00 0.00 H new ATOM 0 HA THR A 54 4.514 -16.453 3.878 1.00 0.00 H new ATOM 0 HB THR A 54 2.106 -16.581 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.444 -16.191 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.168 -18.313 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.476 -18.504 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.825 -17.810 6.512 1.00 0.00 H new ATOM 816 N GLN A 55 2.714 -14.637 2.930 1.00 0.00 N ATOM 817 CA GLN A 55 2.237 -13.487 2.171 1.00 0.00 C ATOM 818 C GLN A 55 1.272 -12.645 3.004 1.00 0.00 C ATOM 819 O GLN A 55 1.463 -11.438 3.157 1.00 0.00 O ATOM 820 CB GLN A 55 1.554 -13.949 0.880 1.00 0.00 C ATOM 821 CG GLN A 55 2.217 -13.419 -0.381 1.00 0.00 C ATOM 822 CD GLN A 55 3.611 -13.979 -0.586 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.799 -15.193 -0.675 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.599 -13.095 -0.662 1.00 0.00 N ATOM 0 H GLN A 55 2.292 -15.525 2.660 1.00 0.00 H new ATOM 0 HA GLN A 55 3.097 -12.869 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.552 -15.039 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.512 -13.629 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.599 -13.667 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.270 -12.332 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.398 -12.098 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.558 -13.413 -0.799 1.00 0.00 H new ATOM 833 N PRO A 56 0.218 -13.272 3.556 1.00 0.00 N ATOM 834 CA PRO A 56 -0.776 -12.570 4.376 1.00 0.00 C ATOM 835 C PRO A 56 -0.133 -11.745 5.485 1.00 0.00 C ATOM 836 O PRO A 56 -0.688 -10.739 5.926 1.00 0.00 O ATOM 837 CB PRO A 56 -1.611 -13.706 4.972 1.00 0.00 C ATOM 838 CG PRO A 56 -1.473 -14.826 4.001 1.00 0.00 C ATOM 839 CD PRO A 56 -0.087 -14.710 3.427 1.00 0.00 C ATOM 0 HA PRO A 56 -1.357 -11.857 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.246 -13.990 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.654 -13.411 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.612 -15.788 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.227 -14.757 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.628 -15.323 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.054 -15.036 2.387 1.00 0.00 H new ATOM 847 N ASP A 57 1.042 -12.177 5.933 1.00 0.00 N ATOM 848 CA ASP A 57 1.761 -11.477 6.990 1.00 0.00 C ATOM 849 C ASP A 57 2.428 -10.215 6.451 1.00 0.00 C ATOM 850 O ASP A 57 2.569 -9.223 7.166 1.00 0.00 O ATOM 851 CB ASP A 57 2.808 -12.399 7.619 1.00 0.00 C ATOM 852 CG ASP A 57 2.496 -12.727 9.067 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.378 -11.783 9.876 1.00 0.00 O ATOM 854 OD2 ASP A 57 2.372 -13.926 9.392 1.00 0.00 O ATOM 0 H ASP A 57 1.516 -13.009 5.580 1.00 0.00 H new ATOM 0 HA ASP A 57 1.042 -11.184 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.866 -13.323 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.788 -11.925 7.560 1.00 0.00 H new ATOM 859 N LYS A 58 2.836 -10.261 5.187 1.00 0.00 N ATOM 860 CA LYS A 58 3.488 -9.122 4.553 1.00 0.00 C ATOM 861 C LYS A 58 2.511 -7.962 4.384 1.00 0.00 C ATOM 862 O LYS A 58 2.891 -6.797 4.499 1.00 0.00 O ATOM 863 CB LYS A 58 4.058 -9.526 3.191 1.00 0.00 C ATOM 864 CG LYS A 58 5.085 -10.643 3.272 1.00 0.00 C ATOM 865 CD LYS A 58 5.135 -11.452 1.985 1.00 0.00 C ATOM 866 CE LYS A 58 6.405 -11.174 1.195 1.00 0.00 C ATOM 867 NZ LYS A 58 7.349 -12.325 1.238 1.00 0.00 N ATOM 0 H LYS A 58 2.726 -11.075 4.582 1.00 0.00 H new ATOM 0 HA LYS A 58 4.304 -8.797 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.240 -9.841 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.517 -8.654 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.069 -10.220 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.843 -11.301 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.078 -12.515 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.266 -11.215 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.147 -10.954 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.895 -10.287 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.201 -12.096 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.615 -12.519 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.891 -13.165 0.832 1.00 0.00 H new ATOM 881 N VAL A 59 1.253 -8.290 4.111 1.00 0.00 N ATOM 882 CA VAL A 59 0.222 -7.274 3.928 1.00 0.00 C ATOM 883 C VAL A 59 0.047 -6.436 5.189 1.00 0.00 C ATOM 884 O VAL A 59 0.072 -5.207 5.139 1.00 0.00 O ATOM 885 CB VAL A 59 -1.133 -7.908 3.554 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.154 -6.831 3.222 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.969 -8.875 2.391 1.00 0.00 C ATOM 0 H VAL A 59 0.922 -9.250 4.012 1.00 0.00 H new ATOM 0 HA VAL A 59 0.552 -6.632 3.111 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.499 -8.470 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.104 -7.298 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.294 -6.183 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.797 -6.239 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.936 -9.312 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.579 -8.340 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.274 -9.667 2.671 1.00 0.00 H new ATOM 897 N ARG A 60 -0.132 -7.111 6.320 1.00 0.00 N ATOM 898 CA ARG A 60 -0.313 -6.431 7.597 1.00 0.00 C ATOM 899 C ARG A 60 0.878 -5.532 7.914 1.00 0.00 C ATOM 900 O ARG A 60 0.737 -4.513 8.590 1.00 0.00 O ATOM 901 CB ARG A 60 -0.505 -7.454 8.719 1.00 0.00 C ATOM 902 CG ARG A 60 -1.460 -6.993 9.807 1.00 0.00 C ATOM 903 CD ARG A 60 -1.309 -7.826 11.070 1.00 0.00 C ATOM 904 NE ARG A 60 -1.521 -7.034 12.278 1.00 0.00 N ATOM 905 CZ ARG A 60 -1.122 -7.412 13.491 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.493 -8.569 13.660 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.354 -6.632 14.538 1.00 0.00 N ATOM 0 H ARG A 60 -0.156 -8.129 6.378 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.204 -5.807 7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.878 -8.385 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.464 -7.675 9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.272 -5.944 10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.486 -7.061 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.022 -8.650 11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.312 -8.267 11.096 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.003 -6.139 12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.313 -9.174 12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.190 -8.853 14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.838 -5.743 14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.049 -6.921 15.467 1.00 0.00 H new ATOM 921 N LYS A 61 2.052 -5.917 7.423 1.00 0.00 N ATOM 922 CA LYS A 61 3.267 -5.145 7.656 1.00 0.00 C ATOM 923 C LYS A 61 3.264 -3.858 6.837 1.00 0.00 C ATOM 924 O LYS A 61 3.659 -2.800 7.328 1.00 0.00 O ATOM 925 CB LYS A 61 4.501 -5.980 7.312 1.00 0.00 C ATOM 926 CG LYS A 61 5.817 -5.280 7.614 1.00 0.00 C ATOM 927 CD LYS A 61 5.958 -4.968 9.095 1.00 0.00 C ATOM 928 CE LYS A 61 6.153 -6.233 9.916 1.00 0.00 C ATOM 929 NZ LYS A 61 6.003 -5.978 11.375 1.00 0.00 N ATOM 0 H LYS A 61 2.187 -6.758 6.862 1.00 0.00 H new ATOM 0 HA LYS A 61 3.299 -4.879 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.462 -6.916 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.471 -6.237 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.647 -5.910 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.878 -4.356 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.806 -4.300 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.070 -4.441 9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.428 -6.984 9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.143 -6.644 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.143 -6.865 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.711 -5.280 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.049 -5.610 11.567 1.00 0.00 H new ATOM 943 N ILE A 62 2.817 -3.954 5.590 1.00 0.00 N ATOM 944 CA ILE A 62 2.764 -2.795 4.707 1.00 0.00 C ATOM 945 C ILE A 62 1.793 -1.746 5.239 1.00 0.00 C ATOM 946 O ILE A 62 2.073 -0.548 5.195 1.00 0.00 O ATOM 947 CB ILE A 62 2.343 -3.192 3.278 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.226 -4.328 2.758 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.417 -1.990 2.346 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.496 -5.293 1.849 1.00 0.00 C ATOM 0 H ILE A 62 2.486 -4.822 5.168 1.00 0.00 H new ATOM 0 HA ILE A 62 3.769 -2.375 4.675 1.00 0.00 H new ATOM 0 HB ILE A 62 1.311 -3.541 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.072 -3.902 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.634 -4.878 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.116 -2.289 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.749 -1.208 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.439 -1.611 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.183 -6.072 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.667 -5.747 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.112 -4.756 0.982 1.00 0.00 H new ATOM 962 N LEU A 63 0.652 -2.204 5.744 1.00 0.00 N ATOM 963 CA LEU A 63 -0.360 -1.304 6.286 1.00 0.00 C ATOM 964 C LEU A 63 0.208 -0.471 7.431 1.00 0.00 C ATOM 965 O LEU A 63 -0.003 0.740 7.495 1.00 0.00 O ATOM 966 CB LEU A 63 -1.574 -2.100 6.771 1.00 0.00 C ATOM 967 CG LEU A 63 -2.227 -2.991 5.714 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.191 -3.970 6.363 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.944 -2.143 4.674 1.00 0.00 C ATOM 0 H LEU A 63 0.405 -3.193 5.789 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.672 -0.628 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.269 -2.723 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.321 -1.401 7.147 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.445 -3.562 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.646 -4.596 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.650 -4.599 7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.970 -3.419 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.403 -2.792 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.716 -1.546 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.227 -1.482 4.187 1.00 0.00 H new ATOM 981 N ASP A 64 0.930 -1.129 8.332 1.00 0.00 N ATOM 982 CA ASP A 64 1.530 -0.449 9.474 1.00 0.00 C ATOM 983 C ASP A 64 2.542 0.595 9.014 1.00 0.00 C ATOM 984 O ASP A 64 2.622 1.687 9.577 1.00 0.00 O ATOM 985 CB ASP A 64 2.209 -1.462 10.398 1.00 0.00 C ATOM 986 CG ASP A 64 2.434 -0.912 11.793 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.451 -0.815 12.559 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.592 -0.575 12.119 1.00 0.00 O ATOM 0 H ASP A 64 1.114 -2.132 8.294 1.00 0.00 H new ATOM 0 HA ASP A 64 0.736 0.057 10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.596 -2.361 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.166 -1.757 9.968 1.00 0.00 H new ATOM 993 N LEU A 65 3.313 0.253 7.987 1.00 0.00 N ATOM 994 CA LEU A 65 4.320 1.161 7.452 1.00 0.00 C ATOM 995 C LEU A 65 3.671 2.412 6.867 1.00 0.00 C ATOM 996 O LEU A 65 3.988 3.532 7.268 1.00 0.00 O ATOM 997 CB LEU A 65 5.153 0.456 6.378 1.00 0.00 C ATOM 998 CG LEU A 65 6.199 -0.525 6.911 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.785 -1.348 5.776 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.296 0.220 7.656 1.00 0.00 C ATOM 0 H LEU A 65 3.259 -0.646 7.509 1.00 0.00 H new ATOM 0 HA LEU A 65 4.973 1.462 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.479 -0.082 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.659 1.212 5.777 1.00 0.00 H new ATOM 0 HG LEU A 65 5.711 -1.205 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.527 -2.040 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.990 -1.910 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.259 -0.685 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.032 -0.493 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.782 0.923 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.861 0.764 8.494 1.00 0.00 H new ATOM 1012 N VAL A 66 2.761 2.213 5.919 1.00 0.00 N ATOM 1013 CA VAL A 66 2.067 3.326 5.281 1.00 0.00 C ATOM 1014 C VAL A 66 1.299 4.155 6.305 1.00 0.00 C ATOM 1015 O VAL A 66 1.157 5.368 6.154 1.00 0.00 O ATOM 1016 CB VAL A 66 1.087 2.830 4.200 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.504 4.006 3.428 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.778 1.856 3.259 1.00 0.00 C ATOM 0 H VAL A 66 2.487 1.292 5.576 1.00 0.00 H new ATOM 0 HA VAL A 66 2.830 3.948 4.813 1.00 0.00 H new ATOM 0 HB VAL A 66 0.268 2.305 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.186 3.637 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.030 4.663 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.310 4.561 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.070 1.517 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.618 2.353 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.142 0.999 3.826 1.00 0.00 H new ATOM 1028 N GLN A 67 0.806 3.493 7.347 1.00 0.00 N ATOM 1029 CA GLN A 67 0.053 4.170 8.396 1.00 0.00 C ATOM 1030 C GLN A 67 0.942 5.141 9.166 1.00 0.00 C ATOM 1031 O GLN A 67 0.473 6.161 9.671 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.556 3.147 9.357 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.805 2.471 8.815 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.136 1.187 9.549 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.370 0.727 10.396 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.285 0.601 9.229 1.00 0.00 N ATOM 0 H GLN A 67 0.915 2.489 7.487 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.749 4.737 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.190 2.385 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.800 3.644 10.296 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.648 3.157 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.666 2.255 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.890 1.017 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.562 -0.265 9.692 1.00 0.00 H new ATOM 1045 N SER A 68 2.228 4.818 9.251 1.00 0.00 N ATOM 1046 CA SER A 68 3.183 5.662 9.961 1.00 0.00 C ATOM 1047 C SER A 68 3.611 6.844 9.096 1.00 0.00 C ATOM 1048 O SER A 68 3.911 7.923 9.606 1.00 0.00 O ATOM 1049 CB SER A 68 4.410 4.847 10.374 1.00 0.00 C ATOM 1050 OG SER A 68 4.927 5.297 11.614 1.00 0.00 O ATOM 0 H SER A 68 2.633 3.978 8.837 1.00 0.00 H new ATOM 0 HA SER A 68 2.694 6.047 10.856 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.142 3.793 10.449 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.179 4.926 9.605 1.00 0.00 H new ATOM 0 HG SER A 68 5.709 4.759 11.857 1.00 0.00 H new ATOM 1056 N LYS A 69 3.638 6.631 7.784 1.00 0.00 N ATOM 1057 CA LYS A 69 4.030 7.679 6.848 1.00 0.00 C ATOM 1058 C LYS A 69 3.035 8.834 6.875 1.00 0.00 C ATOM 1059 O LYS A 69 3.344 9.923 7.357 1.00 0.00 O ATOM 1060 CB LYS A 69 4.136 7.112 5.432 1.00 0.00 C ATOM 1061 CG LYS A 69 5.143 5.981 5.305 1.00 0.00 C ATOM 1062 CD LYS A 69 5.495 5.709 3.851 1.00 0.00 C ATOM 1063 CE LYS A 69 6.652 4.731 3.731 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.961 5.431 3.612 1.00 0.00 N ATOM 0 H LYS A 69 3.393 5.743 7.345 1.00 0.00 H new ATOM 0 HA LYS A 69 5.005 8.059 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.156 6.752 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.414 7.914 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.047 6.234 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.735 5.077 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.623 5.308 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.756 6.645 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.667 4.078 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.500 4.094 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.695 4.880 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.213 5.528 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.891 6.375 4.044 1.00 0.00 H new ATOM 1078 N GLY A 70 1.836 8.588 6.353 1.00 0.00 N ATOM 1079 CA GLY A 70 0.814 9.618 6.328 1.00 0.00 C ATOM 1080 C GLY A 70 -0.147 9.456 5.168 1.00 0.00 C ATOM 1081 O GLY A 70 -0.129 8.437 4.476 1.00 0.00 O ATOM 0 H GLY A 70 1.555 7.695 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.256 9.594 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.291 10.596 6.266 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.988 10.463 4.953 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.962 10.429 3.868 1.00 0.00 C ATOM 1087 C GLU A 71 -1.269 10.406 2.508 1.00 0.00 C ATOM 1088 O GLU A 71 -1.831 9.926 1.524 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.895 11.638 3.958 1.00 0.00 C ATOM 1090 CG GLU A 71 -4.134 11.388 4.802 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.850 12.671 5.179 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.243 13.506 5.879 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -6.019 12.840 4.772 1.00 0.00 O ATOM 0 H GLU A 71 -1.014 11.313 5.516 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.548 9.515 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.345 12.481 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.202 11.925 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.819 10.742 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.850 10.854 5.709 1.00 0.00 H new ATOM 1100 N GLU A 72 -0.047 10.929 2.458 1.00 0.00 N ATOM 1101 CA GLU A 72 0.720 10.969 1.217 1.00 0.00 C ATOM 1102 C GLU A 72 0.843 9.576 0.605 1.00 0.00 C ATOM 1103 O GLU A 72 0.395 9.337 -0.516 1.00 0.00 O ATOM 1104 CB GLU A 72 2.111 11.551 1.471 1.00 0.00 C ATOM 1105 CG GLU A 72 2.616 12.435 0.342 1.00 0.00 C ATOM 1106 CD GLU A 72 2.654 13.902 0.721 1.00 0.00 C ATOM 1107 OE1 GLU A 72 3.365 14.247 1.688 1.00 0.00 O ATOM 1108 OE2 GLU A 72 1.974 14.707 0.049 1.00 0.00 O ATOM 0 H GLU A 72 0.433 11.331 3.263 1.00 0.00 H new ATOM 0 HA GLU A 72 0.188 11.609 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.090 12.131 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.815 10.733 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.616 12.112 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.975 12.306 -0.530 1.00 0.00 H new ATOM 1115 N VAL A 73 1.455 8.659 1.349 1.00 0.00 N ATOM 1116 CA VAL A 73 1.638 7.292 0.879 1.00 0.00 C ATOM 1117 C VAL A 73 0.343 6.493 0.994 1.00 0.00 C ATOM 1118 O VAL A 73 0.066 5.619 0.172 1.00 0.00 O ATOM 1119 CB VAL A 73 2.746 6.569 1.667 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.051 5.216 1.042 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.999 7.430 1.738 1.00 0.00 C ATOM 0 H VAL A 73 1.832 8.839 2.279 1.00 0.00 H new ATOM 0 HA VAL A 73 1.931 7.355 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 73 2.393 6.400 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.836 4.720 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.152 4.600 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.384 5.357 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.771 6.903 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.358 7.634 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.766 8.371 2.237 1.00 0.00 H new ATOM 1131 N SER A 74 -0.447 6.800 2.018 1.00 0.00 N ATOM 1132 CA SER A 74 -1.713 6.110 2.239 1.00 0.00 C ATOM 1133 C SER A 74 -2.647 6.290 1.046 1.00 0.00 C ATOM 1134 O SER A 74 -3.460 5.416 0.745 1.00 0.00 O ATOM 1135 CB SER A 74 -2.385 6.631 3.511 1.00 0.00 C ATOM 1136 OG SER A 74 -3.358 5.716 3.984 1.00 0.00 O ATOM 0 H SER A 74 -0.233 7.521 2.707 1.00 0.00 H new ATOM 0 HA SER A 74 -1.504 5.047 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.632 6.797 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.854 7.594 3.310 1.00 0.00 H new ATOM 0 HG SER A 74 -4.123 5.707 3.372 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.524 7.428 0.371 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.358 7.721 -0.790 1.00 0.00 C ATOM 1144 C GLU A 75 -2.919 6.898 -1.996 1.00 0.00 C ATOM 1145 O GLU A 75 -3.727 6.199 -2.609 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.294 9.213 -1.126 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.233 9.623 -2.248 1.00 0.00 C ATOM 1148 CD GLU A 75 -3.807 10.913 -2.921 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -2.586 11.160 -3.013 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -4.694 11.676 -3.357 1.00 0.00 O ATOM 0 H GLU A 75 -1.856 8.162 0.607 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.386 7.454 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.535 9.789 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.272 9.471 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.275 8.827 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.241 9.741 -1.849 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.637 6.984 -2.331 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.091 6.247 -3.465 1.00 0.00 C ATOM 1159 C PHE A 76 -1.273 4.744 -3.274 1.00 0.00 C ATOM 1160 O PHE A 76 -1.585 4.022 -4.222 1.00 0.00 O ATOM 1161 CB PHE A 76 0.393 6.573 -3.645 1.00 0.00 C ATOM 1162 CG PHE A 76 1.008 5.916 -4.848 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.450 6.082 -6.104 1.00 0.00 C ATOM 1164 CD2 PHE A 76 2.146 5.135 -4.720 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.015 5.479 -7.213 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.714 4.530 -5.824 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.148 4.703 -7.072 1.00 0.00 C ATOM 0 H PHE A 76 -0.956 7.557 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.634 6.551 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.512 7.653 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.936 6.261 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.436 6.689 -6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.593 4.998 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.571 5.615 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.600 3.922 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.591 4.232 -7.937 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.078 4.281 -2.045 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.222 2.864 -1.729 1.00 0.00 C ATOM 1179 C PHE A 77 -2.634 2.378 -2.042 1.00 0.00 C ATOM 1180 O PHE A 77 -2.816 1.370 -2.725 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.900 2.614 -0.254 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.846 1.158 0.111 1.00 0.00 C ATOM 1183 CD1 PHE A 77 -0.020 0.286 -0.580 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.623 0.662 1.146 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.031 -1.053 -0.245 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.576 -0.678 1.486 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.749 -1.536 0.789 1.00 0.00 C ATOM 0 H PHE A 77 -0.820 4.866 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.519 2.306 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.059 3.075 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.652 3.107 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.591 0.658 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.272 1.329 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.680 -1.722 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.185 -1.052 2.295 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.711 -2.583 1.051 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.628 3.100 -1.539 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.024 2.743 -1.765 1.00 0.00 C ATOM 1199 C LEU A 78 -5.416 2.977 -3.220 1.00 0.00 C ATOM 1200 O LEU A 78 -6.271 2.277 -3.763 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.936 3.551 -0.841 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.964 3.081 0.615 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.184 4.258 1.552 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.046 2.030 0.812 1.00 0.00 C ATOM 0 H LEU A 78 -3.494 3.937 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.143 1.683 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.619 4.594 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.951 3.517 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.000 2.632 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.201 3.904 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.375 4.978 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.134 4.737 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.053 1.706 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.017 2.455 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.844 1.175 0.167 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.788 3.967 -3.846 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.072 4.293 -5.238 1.00 0.00 C ATOM 1218 C TYR A 79 -4.774 3.106 -6.147 1.00 0.00 C ATOM 1219 O TYR A 79 -5.546 2.797 -7.056 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.249 5.505 -5.678 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.912 6.329 -6.759 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.273 5.755 -7.972 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.177 7.679 -6.568 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.878 6.504 -8.964 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.782 8.435 -7.553 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.131 7.842 -8.750 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.734 8.592 -9.733 1.00 0.00 O ATOM 0 H TYR A 79 -4.079 4.557 -3.411 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.132 4.533 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.062 6.140 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.279 5.163 -6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.078 4.707 -8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.905 8.146 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.151 6.043 -9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.981 9.484 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.841 9.515 -9.421 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.650 2.442 -5.896 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.250 1.287 -6.692 1.00 0.00 C ATOM 1239 C LEU A 80 -4.303 0.187 -6.621 1.00 0.00 C ATOM 1240 O LEU A 80 -4.557 -0.508 -7.606 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.902 0.750 -6.209 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.684 1.547 -6.676 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.537 1.198 -5.838 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.413 1.288 -8.151 1.00 0.00 C ATOM 0 H LEU A 80 -3.000 2.684 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.155 1.608 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.906 0.727 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.795 -0.280 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.896 2.608 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.394 1.775 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.340 1.434 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.753 0.134 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.457 1.863 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.222 0.226 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.280 1.589 -8.739 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.915 0.035 -5.451 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.943 -0.980 -5.253 1.00 0.00 C ATOM 1258 C LEU A 81 -7.111 -0.768 -6.213 1.00 0.00 C ATOM 1259 O LEU A 81 -7.816 -1.714 -6.565 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.445 -0.952 -3.807 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.471 -1.523 -2.774 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.866 -1.087 -1.372 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.425 -3.040 -2.869 1.00 0.00 C ATOM 0 H LEU A 81 -4.717 0.601 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.500 -1.954 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.674 0.079 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.379 -1.511 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.475 -1.135 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.163 -1.502 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.849 0.001 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.870 -1.447 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.728 -3.430 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.419 -3.447 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.096 -3.332 -3.866 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.310 0.478 -6.632 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.391 0.812 -7.551 1.00 0.00 C ATOM 1277 C GLN A 82 -7.980 0.540 -8.996 1.00 0.00 C ATOM 1278 O GLN A 82 -8.742 -0.040 -9.769 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.792 2.279 -7.390 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.111 2.628 -8.059 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.248 4.111 -8.341 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -9.254 4.832 -8.432 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -11.485 4.576 -8.481 1.00 0.00 N ATOM 0 H GLN A 82 -6.736 1.273 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.247 0.181 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.860 2.513 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.006 2.909 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.197 2.075 -8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.934 2.306 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.280 3.943 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.639 5.566 -8.672 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.771 0.962 -9.350 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.258 0.764 -10.701 1.00 0.00 C ATOM 1294 C GLN A 83 -5.947 -0.708 -10.952 1.00 0.00 C ATOM 1295 O GLN A 83 -6.202 -1.231 -12.036 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.002 1.610 -10.922 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.271 2.923 -11.638 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.356 3.138 -12.828 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -4.817 3.347 -13.951 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.051 3.086 -12.588 1.00 0.00 N ATOM 0 H GLN A 83 -6.128 1.443 -8.721 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.027 1.080 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.541 1.820 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.282 1.031 -11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.308 2.943 -11.974 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.147 3.747 -10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.713 2.910 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.387 3.222 -13.350 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.393 -1.370 -9.942 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.046 -2.782 -10.049 1.00 0.00 C ATOM 1311 C LEU A 84 -6.274 -3.668 -9.851 1.00 0.00 C ATOM 1312 O LEU A 84 -6.290 -4.826 -10.270 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.971 -3.145 -9.023 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.703 -2.293 -9.085 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.785 -2.617 -7.917 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.983 -2.505 -10.408 1.00 0.00 C ATOM 0 H LEU A 84 -5.174 -0.950 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.656 -2.955 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.400 -3.059 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.695 -4.190 -9.163 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.989 -1.244 -9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.888 -2.001 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.303 -2.413 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.506 -3.670 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.083 -1.891 -10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.709 -3.555 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.641 -2.221 -11.230 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.303 -3.119 -9.209 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.534 -3.861 -8.956 1.00 0.00 C ATOM 1330 C ALA A 85 -9.081 -4.487 -10.237 1.00 0.00 C ATOM 1331 O ALA A 85 -9.788 -5.494 -10.194 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.577 -2.951 -8.326 1.00 0.00 C ATOM 0 H ALA A 85 -7.308 -2.162 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.301 -4.669 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.490 -3.517 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.196 -2.560 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.793 -2.123 -9.001 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.751 -3.884 -11.375 1.00 0.00 N ATOM 1339 CA ASP A 86 -9.210 -4.384 -12.668 1.00 0.00 C ATOM 1340 C ASP A 86 -8.794 -5.838 -12.871 1.00 0.00 C ATOM 1341 O ASP A 86 -9.476 -6.598 -13.557 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.650 -3.519 -13.799 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.649 -3.320 -14.922 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.603 -4.120 -15.017 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.476 -2.364 -15.708 1.00 0.00 O ATOM 0 H ASP A 86 -8.168 -3.049 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.299 -4.332 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.358 -2.548 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.748 -3.984 -14.197 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.672 -6.219 -12.268 1.00 0.00 N ATOM 1351 CA ALA A 87 -7.166 -7.581 -12.383 1.00 0.00 C ATOM 1352 C ALA A 87 -7.207 -8.298 -11.039 1.00 0.00 C ATOM 1353 O ALA A 87 -6.307 -9.070 -10.707 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.749 -7.572 -12.937 1.00 0.00 C ATOM 0 H ALA A 87 -7.096 -5.603 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.811 -8.125 -13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.383 -8.596 -13.018 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.747 -7.107 -13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.100 -7.007 -12.268 1.00 0.00 H new ATOM 1360 N TYR A 88 -8.258 -8.037 -10.266 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.416 -8.658 -8.956 1.00 0.00 C ATOM 1362 C TYR A 88 -9.801 -9.282 -8.815 1.00 0.00 C ATOM 1363 O TYR A 88 -10.761 -8.836 -9.444 1.00 0.00 O ATOM 1364 CB TYR A 88 -8.192 -7.626 -7.849 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.789 -7.640 -7.283 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.736 -7.055 -7.974 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -6.519 -8.236 -6.058 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.453 -7.064 -7.460 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -5.240 -8.250 -5.538 1.00 0.00 C ATOM 1370 CZ TYR A 88 -4.210 -7.663 -6.242 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.934 -7.675 -5.727 1.00 0.00 O ATOM 0 H TYR A 88 -9.012 -7.400 -10.525 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.670 -9.447 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.407 -6.632 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.902 -7.810 -7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.923 -6.585 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.323 -8.696 -5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.645 -6.604 -8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.047 -8.719 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.935 -8.135 -4.862 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.898 -10.315 -7.985 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.165 -11.000 -7.761 1.00 0.00 C ATOM 1383 C VAL A 89 -11.685 -10.748 -6.349 1.00 0.00 C ATOM 1384 O VAL A 89 -12.894 -10.738 -6.116 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.029 -12.518 -7.983 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.918 -12.835 -9.465 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.830 -13.063 -7.222 1.00 0.00 C ATOM 0 H VAL A 89 -9.114 -10.696 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.875 -10.597 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.926 -13.004 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.823 -13.912 -9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.811 -12.482 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.040 -12.338 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.750 -14.137 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.922 -12.572 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.958 -12.872 -6.157 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.766 -10.547 -5.411 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.134 -10.297 -4.022 1.00 0.00 C ATOM 1399 C ASP A 90 -11.450 -8.820 -3.799 1.00 0.00 C ATOM 1400 O ASP A 90 -12.377 -8.479 -3.066 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.005 -10.735 -3.087 1.00 0.00 C ATOM 1402 CG ASP A 90 -9.494 -12.125 -3.410 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -10.328 -13.037 -3.591 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -8.259 -12.302 -3.482 1.00 0.00 O ATOM 0 H ASP A 90 -9.761 -10.552 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.028 -10.879 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.182 -10.023 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.360 -10.712 -2.057 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.673 -7.951 -4.435 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.870 -6.511 -4.304 1.00 0.00 C ATOM 1411 C LEU A 91 -11.630 -5.954 -5.504 1.00 0.00 C ATOM 1412 O LEU A 91 -11.230 -6.150 -6.651 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.522 -5.802 -4.166 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.713 -6.183 -2.925 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.238 -5.872 -3.133 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.246 -5.456 -1.700 1.00 0.00 C ATOM 0 H LEU A 91 -9.901 -8.217 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.462 -6.331 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.923 -6.017 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.695 -4.726 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.817 -7.256 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.678 -6.150 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.864 -6.438 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.114 -4.806 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.660 -5.738 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.172 -4.380 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.289 -5.729 -1.540 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.728 -5.256 -5.229 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.545 -4.666 -6.284 1.00 0.00 C ATOM 1430 C ARG A 92 -14.739 -3.917 -5.695 1.00 0.00 C ATOM 1431 O ARG A 92 -14.876 -2.707 -5.884 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.031 -5.751 -7.251 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.357 -5.699 -8.612 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.319 -6.077 -9.727 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.772 -5.778 -11.048 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.269 -6.265 -12.183 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.321 -7.074 -12.162 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -13.713 -5.943 -13.342 1.00 0.00 N ATOM 0 H ARG A 92 -13.072 -5.085 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.928 -3.953 -6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.854 -6.730 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.108 -5.651 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.970 -4.696 -8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.503 -6.376 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.549 -7.141 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.258 -5.539 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.962 -5.160 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.753 -7.326 -11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.697 -7.444 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.904 -5.322 -13.365 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.094 -6.316 -14.212 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.621 -4.627 -4.971 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.805 -4.021 -4.355 1.00 0.00 C ATOM 1454 C PRO A 93 -16.459 -3.181 -3.129 1.00 0.00 C ATOM 1455 O PRO A 93 -17.195 -2.264 -2.765 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.648 -5.231 -3.952 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.656 -6.317 -3.720 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.535 -6.075 -4.696 1.00 0.00 C ATOM 0 HA PRO A 93 -17.312 -3.335 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.231 -5.027 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.355 -5.501 -4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.290 -6.297 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.106 -7.297 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.568 -6.346 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.660 -6.664 -5.605 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.335 -3.501 -2.495 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.892 -2.777 -1.308 1.00 0.00 C ATOM 1468 C TRP A 94 -14.733 -1.289 -1.602 1.00 0.00 C ATOM 1469 O TRP A 94 -15.270 -0.445 -0.886 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.568 -3.353 -0.802 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.070 -2.691 0.447 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.684 -2.673 1.666 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.854 -1.949 0.598 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.925 -1.965 2.567 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.796 -1.511 1.935 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.808 -1.614 -0.267 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.734 -0.756 2.425 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.755 -0.863 0.222 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.725 -0.442 1.557 1.00 0.00 C ATOM 0 H TRP A 94 -14.714 -4.257 -2.783 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.653 -2.895 -0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.692 -4.420 -0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.814 -3.252 -1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.629 -3.146 1.890 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.163 -1.804 3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.822 -1.936 -1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.708 -0.430 3.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.942 -0.597 -0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.888 0.143 1.908 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.990 -0.975 -2.659 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.759 0.413 -3.046 1.00 0.00 C ATOM 1492 C LEU A 95 -15.077 1.136 -3.305 1.00 0.00 C ATOM 1493 O LEU A 95 -15.185 2.345 -3.094 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.877 0.476 -4.294 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.529 -0.237 -4.171 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.900 -0.431 -5.542 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.596 0.547 -3.261 1.00 0.00 C ATOM 0 H LEU A 95 -13.538 -1.662 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.249 0.912 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.425 0.042 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.696 1.522 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.697 -1.219 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.942 -0.940 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.562 -1.033 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.744 0.540 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.641 0.027 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.435 1.542 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.043 0.635 -2.271 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.077 0.391 -3.763 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.387 0.962 -4.050 1.00 0.00 C ATOM 1511 C LEU A 96 -18.184 1.172 -2.766 1.00 0.00 C ATOM 1512 O LEU A 96 -19.010 2.081 -2.677 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.165 0.053 -5.005 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.969 0.357 -6.491 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.456 -0.805 -7.342 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.695 1.639 -6.872 1.00 0.00 C ATOM 0 H LEU A 96 -16.005 -0.610 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.236 1.932 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.871 -0.980 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.227 0.129 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.904 0.496 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.309 -0.571 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.893 -1.703 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.516 -0.975 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.545 1.841 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.760 1.527 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.300 2.469 -6.286 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.934 0.323 -1.774 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.630 0.417 -0.495 1.00 0.00 C ATOM 1530 C GLU A 97 -18.049 1.538 0.361 1.00 0.00 C ATOM 1531 O GLU A 97 -18.784 2.266 1.029 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.542 -0.916 0.253 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.876 -1.636 0.372 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.479 -1.973 -0.977 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.681 -1.043 -1.787 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.748 -3.167 -1.226 1.00 0.00 O ATOM 0 H GLU A 97 -17.256 -0.437 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.677 0.646 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.833 -1.565 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.145 -0.737 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.740 -2.554 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -20.573 -1.012 0.932 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.727 1.670 0.340 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.050 2.702 1.116 1.00 0.00 C ATOM 1545 C ILE A 98 -16.215 4.074 0.471 1.00 0.00 C ATOM 1546 O ILE A 98 -16.371 5.081 1.162 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.547 2.396 1.271 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.867 2.345 -0.099 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.349 1.083 2.015 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.386 2.046 -0.029 1.00 0.00 C ATOM 0 H ILE A 98 -16.103 1.075 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.514 2.710 2.102 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.088 3.196 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.354 1.584 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.013 3.300 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.283 0.880 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.801 1.154 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.821 0.274 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.971 2.025 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.886 2.820 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.232 1.077 0.446 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.180 4.107 -0.857 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.326 5.361 -1.572 1.00 0.00 C ATOM 1564 C GLY A 99 -15.039 6.161 -1.608 1.00 0.00 C ATOM 1565 O GLY A 99 -14.953 7.238 -1.017 1.00 0.00 O ATOM 0 H GLY A 99 -16.053 3.287 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.653 5.158 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.107 5.956 -1.099 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.036 5.635 -2.304 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.747 6.306 -2.414 1.00 0.00 C ATOM 1571 C PHE A 100 -12.848 7.533 -3.316 1.00 0.00 C ATOM 1572 O PHE A 100 -12.419 8.625 -2.943 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.692 5.343 -2.961 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.308 5.927 -3.001 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.926 6.766 -4.035 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.391 5.635 -2.005 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.654 7.305 -4.074 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.117 6.170 -2.038 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.748 7.006 -3.075 1.00 0.00 C ATOM 0 H PHE A 100 -14.092 4.746 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.449 6.632 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.680 4.443 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.978 5.038 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.630 7.002 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.675 4.982 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.369 7.959 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.411 5.935 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.753 7.425 -3.104 1.00 0.00 H new