USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 69 SER OG : rot 16:sc= 0.176! USER MOD Set 1.2: A 82 GLN : amide:sc= 0 X(o=0.18,f=0.047) USER MOD Set 2.1: A 58 CYS SG : rot 90:sc= -0.939 USER MOD Set 2.2: A 74 SER OG : rot 57:sc= -0.609 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -123:sc= -3.31! (180deg=-0.882) USER MOD Set 3.2: A 80 HIS : no HD1:sc= -1.18 X(o=-4.5,f=-4.2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -1.82 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0321) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -0.804 (180deg=-0.832) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc=-0.00119 (180deg=-0.241) USER MOD Single : A 28 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -140:sc= -1.32 USER MOD Single : A 33 SER OG : rot 180:sc= -0.957 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0182) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0248 F(o=-0.96,f=-0.025) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.14 (180deg=-1.06) USER MOD Single : A 54 ASN : amide:sc= -4.56! C(o=-4.6!,f=-9.1!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= -0.953 (180deg=-2.88!) USER MOD Single : A 63 ASN : amide:sc= 0.224 X(o=0.22,f=-0.0061) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.95 F(o=-2.4!,f=-0.95) USER MOD Single : A 76 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.73!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 89 TYR OH : rot 180:sc= -1 USER MOD Single : A 94 SER OG : rot -178:sc= 2.1 USER MOD Single : A 97 THR OG1 : rot 88:sc= 1.12 USER MOD Single : A 98 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.7!) USER MOD Single : A 99 SER OG : rot 100:sc= -0.757 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.641 -2.590 2.715 1.00 0.00 N ATOM 67 CA TYR A 8 -12.991 -3.656 3.469 1.00 0.00 C ATOM 68 C TYR A 8 -12.194 -3.087 4.639 1.00 0.00 C ATOM 69 O TYR A 8 -12.412 -3.456 5.792 1.00 0.00 O ATOM 70 CB TYR A 8 -12.071 -4.468 2.556 1.00 0.00 C ATOM 71 CG TYR A 8 -12.807 -5.445 1.669 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.857 -5.026 0.861 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.453 -6.789 1.638 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.533 -5.917 0.049 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.122 -7.686 0.829 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.162 -7.245 0.036 1.00 0.00 C ATOM 77 OH TYR A 8 -14.832 -8.135 -0.772 1.00 0.00 O ATOM 0 HA TYR A 8 -13.767 -4.311 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.497 -3.784 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.355 -5.015 3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.150 -3.986 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.640 -7.138 2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.348 -5.575 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.833 -8.727 0.817 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.446 -9.029 -0.664 1.00 0.00 H new ATOM 87 N GLY A 9 -11.267 -2.185 4.332 1.00 0.00 N ATOM 88 CA GLY A 9 -10.450 -1.578 5.367 1.00 0.00 C ATOM 89 C GLY A 9 -9.045 -1.267 4.889 1.00 0.00 C ATOM 90 O GLY A 9 -8.503 -1.970 4.037 1.00 0.00 O ATOM 0 H GLY A 9 -11.067 -1.864 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.926 -0.659 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.399 -2.248 6.225 1.00 0.00 H new ATOM 94 N SER A 10 -8.456 -0.210 5.438 1.00 0.00 N ATOM 95 CA SER A 10 -7.107 0.196 5.059 1.00 0.00 C ATOM 96 C SER A 10 -6.063 -0.576 5.859 1.00 0.00 C ATOM 97 O SER A 10 -4.919 -0.722 5.428 1.00 0.00 O ATOM 98 CB SER A 10 -6.924 1.699 5.276 1.00 0.00 C ATOM 99 OG SER A 10 -7.097 2.041 6.641 1.00 0.00 O ATOM 0 H SER A 10 -8.891 0.381 6.146 1.00 0.00 H new ATOM 0 HA SER A 10 -6.969 -0.030 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.930 1.999 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.642 2.248 4.666 1.00 0.00 H new ATOM 0 HG SER A 10 -6.973 3.007 6.755 1.00 0.00 H new ATOM 105 N GLU A 11 -6.465 -1.069 7.026 1.00 0.00 N ATOM 106 CA GLU A 11 -5.563 -1.825 7.887 1.00 0.00 C ATOM 107 C GLU A 11 -6.057 -3.258 8.067 1.00 0.00 C ATOM 108 O GLU A 11 -7.235 -3.492 8.338 1.00 0.00 O ATOM 109 CB GLU A 11 -5.434 -1.144 9.251 1.00 0.00 C ATOM 110 CG GLU A 11 -4.704 0.188 9.199 1.00 0.00 C ATOM 111 CD GLU A 11 -5.625 1.345 8.863 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.856 1.183 9.003 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.116 2.411 8.459 1.00 0.00 O ATOM 0 H GLU A 11 -7.409 -0.959 7.397 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.584 -1.853 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.430 -0.987 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.907 -1.811 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.228 0.375 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.909 0.134 8.455 1.00 0.00 H new ATOM 120 N LYS A 12 -5.147 -4.214 7.913 1.00 0.00 N ATOM 121 CA LYS A 12 -5.488 -5.625 8.058 1.00 0.00 C ATOM 122 C LYS A 12 -4.249 -6.452 8.388 1.00 0.00 C ATOM 123 O LYS A 12 -3.195 -6.281 7.776 1.00 0.00 O ATOM 124 CB LYS A 12 -6.137 -6.149 6.776 1.00 0.00 C ATOM 125 CG LYS A 12 -6.295 -7.659 6.746 1.00 0.00 C ATOM 126 CD LYS A 12 -6.413 -8.180 5.324 1.00 0.00 C ATOM 127 CE LYS A 12 -6.253 -9.692 5.269 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.285 -10.388 6.087 1.00 0.00 N ATOM 0 H LYS A 12 -4.168 -4.038 7.688 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.197 -5.719 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.118 -5.687 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.536 -5.838 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.440 -8.125 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.181 -7.944 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.383 -7.901 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.654 -7.710 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.323 -10.027 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.260 -9.966 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.218 -11.414 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.128 -10.180 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.231 -10.057 5.808 1.00 0.00 H new ATOM 142 N LYS A 13 -4.384 -7.350 9.358 1.00 0.00 N ATOM 143 CA LYS A 13 -3.277 -8.206 9.767 1.00 0.00 C ATOM 144 C LYS A 13 -3.630 -9.678 9.578 1.00 0.00 C ATOM 145 O LYS A 13 -4.611 -10.168 10.136 1.00 0.00 O ATOM 146 CB LYS A 13 -2.915 -7.942 11.230 1.00 0.00 C ATOM 147 CG LYS A 13 -1.900 -6.826 11.413 1.00 0.00 C ATOM 148 CD LYS A 13 -2.562 -5.459 11.375 1.00 0.00 C ATOM 149 CE LYS A 13 -1.761 -4.430 12.157 1.00 0.00 C ATOM 150 NZ LYS A 13 -2.415 -3.092 12.146 1.00 0.00 N ATOM 0 H LYS A 13 -5.249 -7.504 9.876 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.418 -7.972 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.822 -7.691 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.519 -8.858 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.384 -6.955 12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.145 -6.888 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.665 -5.132 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.568 -5.529 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.643 -4.768 13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.761 -4.349 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.874 -2.436 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.444 -2.728 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.384 -3.176 12.513 1.00 0.00 H new ATOM 164 N GLY A 14 -2.821 -10.379 8.789 1.00 0.00 N ATOM 165 CA GLY A 14 -3.064 -11.789 8.542 1.00 0.00 C ATOM 166 C GLY A 14 -1.795 -12.545 8.203 1.00 0.00 C ATOM 167 O GLY A 14 -0.760 -12.351 8.841 1.00 0.00 O ATOM 0 H GLY A 14 -2.002 -9.996 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.525 -12.235 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.776 -11.894 7.723 1.00 0.00 H new ATOM 171 N TYR A 15 -1.875 -13.411 7.199 1.00 0.00 N ATOM 172 CA TYR A 15 -0.725 -14.203 6.780 1.00 0.00 C ATOM 173 C TYR A 15 -0.712 -14.386 5.265 1.00 0.00 C ATOM 174 O TYR A 15 -1.759 -14.365 4.617 1.00 0.00 O ATOM 175 CB TYR A 15 -0.740 -15.568 7.469 1.00 0.00 C ATOM 176 CG TYR A 15 -0.110 -15.559 8.844 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.752 -14.957 9.919 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.126 -16.152 9.068 1.00 0.00 C ATOM 179 CE1 TYR A 15 -0.181 -14.945 11.177 1.00 0.00 C ATOM 180 CE2 TYR A 15 1.704 -16.146 10.323 1.00 0.00 C ATOM 181 CZ TYR A 15 1.047 -15.542 11.374 1.00 0.00 C ATOM 182 OH TYR A 15 1.621 -15.533 12.625 1.00 0.00 O ATOM 0 H TYR A 15 -2.724 -13.582 6.660 1.00 0.00 H new ATOM 0 HA TYR A 15 0.178 -13.667 7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.771 -15.912 7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.214 -16.288 6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.714 -14.490 9.769 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.644 -16.626 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.693 -14.471 12.001 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.666 -16.612 10.480 1.00 0.00 H new ATOM 0 HH TYR A 15 2.484 -15.996 12.592 1.00 0.00 H new ATOM 192 N LEU A 16 0.480 -14.566 4.707 1.00 0.00 N ATOM 193 CA LEU A 16 0.631 -14.754 3.269 1.00 0.00 C ATOM 194 C LEU A 16 1.796 -15.689 2.961 1.00 0.00 C ATOM 195 O LEU A 16 2.682 -15.889 3.793 1.00 0.00 O ATOM 196 CB LEU A 16 0.848 -13.406 2.579 1.00 0.00 C ATOM 197 CG LEU A 16 -0.415 -12.615 2.237 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.055 -11.285 1.594 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.319 -13.425 1.319 1.00 0.00 C ATOM 0 H LEU A 16 1.356 -14.586 5.229 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.284 -15.207 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.476 -12.789 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.405 -13.578 1.658 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.955 -12.413 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.967 -10.736 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.552 -10.700 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.508 -11.464 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.213 -12.847 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.787 -13.658 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.606 -14.352 1.816 1.00 0.00 H new ATOM 211 N LEU A 17 1.789 -16.259 1.761 1.00 0.00 N ATOM 212 CA LEU A 17 2.846 -17.172 1.342 1.00 0.00 C ATOM 213 C LEU A 17 3.928 -16.432 0.563 1.00 0.00 C ATOM 214 O LEU A 17 3.649 -15.787 -0.448 1.00 0.00 O ATOM 215 CB LEU A 17 2.265 -18.298 0.485 1.00 0.00 C ATOM 216 CG LEU A 17 1.191 -19.161 1.149 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.645 -20.184 0.165 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.750 -19.852 2.384 1.00 0.00 C ATOM 0 H LEU A 17 1.063 -16.105 1.061 1.00 0.00 H new ATOM 0 HA LEU A 17 3.297 -17.601 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.842 -17.859 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.082 -18.948 0.171 1.00 0.00 H new ATOM 0 HG LEU A 17 0.372 -18.513 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.118 -20.789 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.206 -19.669 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.455 -20.828 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.972 -20.462 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.587 -20.488 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.092 -19.102 3.097 1.00 0.00 H new ATOM 230 N LYS A 18 5.165 -16.530 1.038 1.00 0.00 N ATOM 231 CA LYS A 18 6.291 -15.873 0.386 1.00 0.00 C ATOM 232 C LYS A 18 6.878 -16.759 -0.709 1.00 0.00 C ATOM 233 O LYS A 18 7.077 -17.958 -0.511 1.00 0.00 O ATOM 234 CB LYS A 18 7.372 -15.529 1.412 1.00 0.00 C ATOM 235 CG LYS A 18 8.118 -14.243 1.102 1.00 0.00 C ATOM 236 CD LYS A 18 7.532 -13.062 1.858 1.00 0.00 C ATOM 237 CE LYS A 18 8.059 -11.740 1.321 1.00 0.00 C ATOM 238 NZ LYS A 18 9.511 -11.566 1.600 1.00 0.00 N ATOM 0 H LYS A 18 5.413 -17.059 1.874 1.00 0.00 H new ATOM 0 HA LYS A 18 5.927 -14.953 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.912 -15.444 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.087 -16.350 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.169 -14.359 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.077 -14.047 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.445 -13.081 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.776 -13.149 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.888 -11.691 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.502 -10.918 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.769 -10.565 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.716 -11.869 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.064 -12.143 0.934 1.00 0.00 H new ATOM 252 N LYS A 19 7.155 -16.161 -1.863 1.00 0.00 N ATOM 253 CA LYS A 19 7.722 -16.894 -2.988 1.00 0.00 C ATOM 254 C LYS A 19 9.231 -16.688 -3.067 1.00 0.00 C ATOM 255 O LYS A 19 9.705 -15.572 -3.276 1.00 0.00 O ATOM 256 CB LYS A 19 7.067 -16.447 -4.297 1.00 0.00 C ATOM 257 CG LYS A 19 7.184 -17.468 -5.415 1.00 0.00 C ATOM 258 CD LYS A 19 7.201 -16.800 -6.780 1.00 0.00 C ATOM 259 CE LYS A 19 5.797 -16.660 -7.350 1.00 0.00 C ATOM 260 NZ LYS A 19 5.778 -15.813 -8.574 1.00 0.00 N ATOM 0 H LYS A 19 6.996 -15.170 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 19 7.525 -17.955 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.013 -16.240 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.523 -15.512 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.095 -18.051 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.348 -18.166 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.662 -15.815 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.816 -17.384 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.400 -17.648 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.141 -16.224 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.124 -15.017 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.734 -15.448 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.463 -16.382 -9.385 1.00 0.00 H new ATOM 385 N TRP A 27 7.235 -21.909 -1.964 1.00 0.00 N ATOM 386 CA TRP A 27 6.300 -21.075 -1.219 1.00 0.00 C ATOM 387 C TRP A 27 6.367 -21.380 0.273 1.00 0.00 C ATOM 388 O TRP A 27 6.049 -22.488 0.704 1.00 0.00 O ATOM 389 CB TRP A 27 4.874 -21.288 -1.731 1.00 0.00 C ATOM 390 CG TRP A 27 4.633 -20.686 -3.083 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.630 -21.339 -4.282 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.361 -19.310 -3.372 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.373 -20.452 -5.300 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.203 -19.201 -4.767 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.233 -18.160 -2.588 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.926 -17.988 -5.392 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.959 -16.957 -3.210 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.806 -16.879 -4.600 1.00 0.00 C ATOM 0 HA TRP A 27 6.582 -20.033 -1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.667 -22.357 -1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.171 -20.856 -1.018 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.804 -22.397 -4.412 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.318 -20.687 -6.291 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.346 -18.211 -1.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.810 -17.925 -6.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.861 -16.062 -2.614 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.589 -15.924 -5.056 1.00 0.00 H new ATOM 409 N GLN A 28 6.784 -20.391 1.057 1.00 0.00 N ATOM 410 CA GLN A 28 6.893 -20.556 2.502 1.00 0.00 C ATOM 411 C GLN A 28 5.902 -19.653 3.229 1.00 0.00 C ATOM 412 O GLN A 28 5.692 -18.505 2.839 1.00 0.00 O ATOM 413 CB GLN A 28 8.318 -20.247 2.965 1.00 0.00 C ATOM 414 CG GLN A 28 9.385 -21.023 2.210 1.00 0.00 C ATOM 415 CD GLN A 28 9.712 -22.352 2.862 1.00 0.00 C ATOM 416 OE1 GLN A 28 9.583 -22.509 4.077 1.00 0.00 O ATOM 417 NE2 GLN A 28 10.137 -23.318 2.057 1.00 0.00 N ATOM 0 H GLN A 28 7.052 -19.468 0.716 1.00 0.00 H new ATOM 0 HA GLN A 28 6.657 -21.592 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.506 -19.180 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.402 -20.471 4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.047 -21.197 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.291 -20.421 2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.229 -23.144 1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.371 -24.234 2.439 1.00 0.00 H new ATOM 426 N ARG A 29 5.296 -20.181 4.288 1.00 0.00 N ATOM 427 CA ARG A 29 4.326 -19.423 5.069 1.00 0.00 C ATOM 428 C ARG A 29 5.024 -18.387 5.946 1.00 0.00 C ATOM 429 O ARG A 29 5.992 -18.698 6.640 1.00 0.00 O ATOM 430 CB ARG A 29 3.493 -20.365 5.939 1.00 0.00 C ATOM 431 CG ARG A 29 2.959 -19.713 7.205 1.00 0.00 C ATOM 432 CD ARG A 29 2.320 -20.736 8.131 1.00 0.00 C ATOM 433 NE ARG A 29 2.908 -22.063 7.970 1.00 0.00 N ATOM 434 CZ ARG A 29 4.028 -22.449 8.571 1.00 0.00 C ATOM 435 NH1 ARG A 29 4.677 -21.613 9.369 1.00 0.00 N ATOM 436 NH2 ARG A 29 4.500 -23.673 8.375 1.00 0.00 N ATOM 0 H ARG A 29 5.460 -21.130 4.624 1.00 0.00 H new ATOM 0 HA ARG A 29 3.667 -18.901 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.655 -20.741 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.102 -21.226 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.772 -19.207 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.226 -18.951 6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.436 -20.411 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.250 -20.787 7.931 1.00 0.00 H new ATOM 0 HE ARG A 29 2.432 -22.730 7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.317 -20.671 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.537 -21.911 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.003 -24.319 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.360 -23.968 8.837 1.00 0.00 H new ATOM 450 N ARG A 30 4.525 -17.156 5.909 1.00 0.00 N ATOM 451 CA ARG A 30 5.102 -16.074 6.698 1.00 0.00 C ATOM 452 C ARG A 30 4.021 -15.099 7.155 1.00 0.00 C ATOM 453 O ARG A 30 3.093 -14.788 6.407 1.00 0.00 O ATOM 454 CB ARG A 30 6.164 -15.331 5.886 1.00 0.00 C ATOM 455 CG ARG A 30 7.223 -14.655 6.741 1.00 0.00 C ATOM 456 CD ARG A 30 8.101 -15.675 7.449 1.00 0.00 C ATOM 457 NE ARG A 30 7.519 -16.115 8.714 1.00 0.00 N ATOM 458 CZ ARG A 30 7.823 -17.267 9.302 1.00 0.00 C ATOM 459 NH1 ARG A 30 8.699 -18.090 8.742 1.00 0.00 N ATOM 460 NH2 ARG A 30 7.251 -17.597 10.453 1.00 0.00 N ATOM 0 H ARG A 30 3.723 -16.883 5.341 1.00 0.00 H new ATOM 0 HA ARG A 30 5.570 -16.511 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.650 -16.034 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.675 -14.579 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.842 -14.012 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.742 -14.013 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.250 -16.537 6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.084 -15.241 7.634 1.00 0.00 H new ATOM 0 HE ARG A 30 6.842 -15.504 9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.141 -17.839 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.931 -18.974 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.577 -16.966 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.485 -18.482 10.904 1.00 0.00 H new ATOM 474 N LYS A 31 4.147 -14.619 8.388 1.00 0.00 N ATOM 475 CA LYS A 31 3.182 -13.679 8.946 1.00 0.00 C ATOM 476 C LYS A 31 3.284 -12.322 8.256 1.00 0.00 C ATOM 477 O LYS A 31 4.382 -11.811 8.031 1.00 0.00 O ATOM 478 CB LYS A 31 3.408 -13.517 10.450 1.00 0.00 C ATOM 479 CG LYS A 31 2.241 -12.869 11.175 1.00 0.00 C ATOM 480 CD LYS A 31 2.332 -11.352 11.134 1.00 0.00 C ATOM 481 CE LYS A 31 1.114 -10.704 11.774 1.00 0.00 C ATOM 482 NZ LYS A 31 1.216 -10.677 13.260 1.00 0.00 N ATOM 0 H LYS A 31 4.909 -14.866 9.020 1.00 0.00 H new ATOM 0 HA LYS A 31 2.182 -14.079 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.598 -14.497 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.303 -12.917 10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.305 -13.191 10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.223 -13.206 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.234 -11.026 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.421 -11.019 10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.005 -9.686 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.217 -11.249 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.367 -10.228 13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.294 -11.649 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.058 -10.135 13.540 1.00 0.00 H new ATOM 496 N CYS A 32 2.135 -11.744 7.926 1.00 0.00 N ATOM 497 CA CYS A 32 2.096 -10.445 7.263 1.00 0.00 C ATOM 498 C CYS A 32 1.281 -9.444 8.075 1.00 0.00 C ATOM 499 O CYS A 32 0.484 -9.827 8.932 1.00 0.00 O ATOM 500 CB CYS A 32 1.503 -10.583 5.860 1.00 0.00 C ATOM 501 SG CYS A 32 2.722 -10.957 4.577 1.00 0.00 S ATOM 0 H CYS A 32 1.218 -12.154 8.106 1.00 0.00 H new ATOM 0 HA CYS A 32 3.118 -10.075 7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.750 -11.371 5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.991 -9.656 5.601 1.00 0.00 H new ATOM 0 HG CYS A 32 2.440 -10.284 3.501 1.00 0.00 H new ATOM 507 N SER A 33 1.488 -8.160 7.802 1.00 0.00 N ATOM 508 CA SER A 33 0.777 -7.103 8.512 1.00 0.00 C ATOM 509 C SER A 33 0.758 -5.816 7.693 1.00 0.00 C ATOM 510 O SER A 33 1.756 -5.443 7.077 1.00 0.00 O ATOM 511 CB SER A 33 1.429 -6.845 9.872 1.00 0.00 C ATOM 512 OG SER A 33 2.818 -6.600 9.734 1.00 0.00 O ATOM 0 H SER A 33 2.142 -7.826 7.094 1.00 0.00 H new ATOM 0 HA SER A 33 -0.251 -7.431 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.952 -5.990 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.271 -7.705 10.523 1.00 0.00 H new ATOM 0 HG SER A 33 3.211 -6.437 10.617 1.00 0.00 H new ATOM 518 N VAL A 34 -0.387 -5.141 7.691 1.00 0.00 N ATOM 519 CA VAL A 34 -0.539 -3.895 6.948 1.00 0.00 C ATOM 520 C VAL A 34 -1.164 -2.810 7.818 1.00 0.00 C ATOM 521 O VAL A 34 -2.252 -2.988 8.366 1.00 0.00 O ATOM 522 CB VAL A 34 -1.405 -4.093 5.690 1.00 0.00 C ATOM 523 CG1 VAL A 34 -1.984 -2.765 5.226 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.594 -4.746 4.582 1.00 0.00 C ATOM 0 H VAL A 34 -1.223 -5.436 8.195 1.00 0.00 H new ATOM 0 HA VAL A 34 0.460 -3.583 6.645 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.233 -4.756 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.593 -2.925 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.602 -2.341 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.172 -2.076 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.222 -4.878 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.255 -4.111 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.233 -5.718 4.919 1.00 0.00 H new ATOM 534 N LYS A 35 -0.470 -1.683 7.939 1.00 0.00 N ATOM 535 CA LYS A 35 -0.956 -0.567 8.740 1.00 0.00 C ATOM 536 C LYS A 35 -0.309 0.742 8.299 1.00 0.00 C ATOM 537 O LYS A 35 0.894 0.797 8.048 1.00 0.00 O ATOM 538 CB LYS A 35 -0.672 -0.814 10.223 1.00 0.00 C ATOM 539 CG LYS A 35 -1.578 -0.029 11.156 1.00 0.00 C ATOM 540 CD LYS A 35 -0.960 0.126 12.535 1.00 0.00 C ATOM 541 CE LYS A 35 -1.790 1.046 13.418 1.00 0.00 C ATOM 542 NZ LYS A 35 -3.125 0.464 13.724 1.00 0.00 N ATOM 0 H LYS A 35 0.432 -1.519 7.492 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.033 -0.488 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.783 -1.878 10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.365 -0.554 10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.773 0.956 10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.539 -0.535 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.873 -0.852 13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.050 0.525 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.255 1.237 14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.918 2.008 12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.627 1.080 14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.678 0.384 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.004 -0.480 14.144 1.00 0.00 H new ATOM 556 N ASN A 36 -1.116 1.795 8.208 1.00 0.00 N ATOM 557 CA ASN A 36 -0.620 3.104 7.798 1.00 0.00 C ATOM 558 C ASN A 36 0.018 3.035 6.414 1.00 0.00 C ATOM 559 O ASN A 36 0.927 3.802 6.099 1.00 0.00 O ATOM 560 CB ASN A 36 0.395 3.629 8.815 1.00 0.00 C ATOM 561 CG ASN A 36 -0.195 3.762 10.205 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.017 2.733 11.024 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 -0.804 4.779 10.539 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.115 1.767 8.412 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.467 3.789 7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.252 2.956 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.766 4.600 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.917 5.546 9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.195 4.854 11.478 1.00 0.00 H new ATOM 570 N GLY A 37 -0.465 2.110 5.590 1.00 0.00 N ATOM 571 CA GLY A 37 0.069 1.958 4.250 1.00 0.00 C ATOM 572 C GLY A 37 1.456 1.346 4.244 1.00 0.00 C ATOM 573 O GLY A 37 2.280 1.670 3.389 1.00 0.00 O ATOM 0 H GLY A 37 -1.217 1.463 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.603 1.332 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.103 2.933 3.763 1.00 0.00 H new ATOM 577 N ILE A 38 1.715 0.463 5.202 1.00 0.00 N ATOM 578 CA ILE A 38 3.012 -0.194 5.304 1.00 0.00 C ATOM 579 C ILE A 38 2.854 -1.699 5.489 1.00 0.00 C ATOM 580 O ILE A 38 2.100 -2.154 6.351 1.00 0.00 O ATOM 581 CB ILE A 38 3.839 0.371 6.474 1.00 0.00 C ATOM 582 CG1 ILE A 38 4.016 1.883 6.319 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.192 -0.321 6.550 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.839 2.274 5.112 1.00 0.00 C ATOM 0 H ILE A 38 1.044 0.186 5.919 1.00 0.00 H new ATOM 0 HA ILE A 38 3.538 0.001 4.370 1.00 0.00 H new ATOM 0 HB ILE A 38 3.303 0.180 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.034 2.350 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.491 2.279 7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.764 0.089 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.046 -1.390 6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.736 -0.159 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.923 3.360 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.834 1.836 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.354 1.908 4.207 1.00 0.00 H new ATOM 596 N LEU A 39 3.569 -2.468 4.676 1.00 0.00 N ATOM 597 CA LEU A 39 3.510 -3.924 4.750 1.00 0.00 C ATOM 598 C LEU A 39 4.773 -4.488 5.392 1.00 0.00 C ATOM 599 O LEU A 39 5.844 -4.491 4.784 1.00 0.00 O ATOM 600 CB LEU A 39 3.324 -4.519 3.353 1.00 0.00 C ATOM 601 CG LEU A 39 3.586 -6.019 3.222 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.563 -6.811 4.022 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.563 -6.439 1.760 1.00 0.00 C ATOM 0 H LEU A 39 4.197 -2.108 3.957 1.00 0.00 H new ATOM 0 HA LEU A 39 2.656 -4.197 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.303 -4.319 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.986 -3.993 2.665 1.00 0.00 H new ATOM 0 HG LEU A 39 4.576 -6.232 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.765 -7.877 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.628 -6.531 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.562 -6.593 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.751 -7.510 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.587 -6.212 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.334 -5.896 1.213 1.00 0.00 H new ATOM 615 N THR A 40 4.641 -4.969 6.624 1.00 0.00 N ATOM 616 CA THR A 40 5.771 -5.537 7.348 1.00 0.00 C ATOM 617 C THR A 40 5.847 -7.047 7.152 1.00 0.00 C ATOM 618 O THR A 40 4.852 -7.754 7.314 1.00 0.00 O ATOM 619 CB THR A 40 5.684 -5.231 8.856 1.00 0.00 C ATOM 620 OG1 THR A 40 5.422 -3.838 9.058 1.00 0.00 O ATOM 621 CG2 THR A 40 6.974 -5.618 9.562 1.00 0.00 C ATOM 0 H THR A 40 3.762 -4.976 7.141 1.00 0.00 H new ATOM 0 HA THR A 40 6.671 -5.074 6.942 1.00 0.00 H new ATOM 0 HB THR A 40 4.868 -5.818 9.278 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.366 -3.652 10.018 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.889 -5.393 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.155 -6.685 9.431 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.805 -5.054 9.137 1.00 0.00 H new ATOM 629 N ILE A 41 7.032 -7.535 6.802 1.00 0.00 N ATOM 630 CA ILE A 41 7.237 -8.961 6.585 1.00 0.00 C ATOM 631 C ILE A 41 8.157 -9.552 7.648 1.00 0.00 C ATOM 632 O ILE A 41 9.353 -9.262 7.680 1.00 0.00 O ATOM 633 CB ILE A 41 7.835 -9.239 5.193 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.991 -8.567 4.108 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.929 -10.737 4.947 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.785 -8.170 2.884 1.00 0.00 C ATOM 0 H ILE A 41 7.865 -6.963 6.663 1.00 0.00 H new ATOM 0 HA ILE A 41 6.257 -9.434 6.651 1.00 0.00 H new ATOM 0 HB ILE A 41 8.841 -8.821 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.192 -9.245 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.516 -7.680 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.353 -10.918 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.568 -11.191 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.933 -11.178 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.122 -7.700 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.567 -7.467 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.238 -9.057 2.441 1.00 0.00 H new ATOM 648 N SER A 42 7.591 -10.385 8.516 1.00 0.00 N ATOM 649 CA SER A 42 8.360 -11.017 9.582 1.00 0.00 C ATOM 650 C SER A 42 9.616 -11.681 9.026 1.00 0.00 C ATOM 651 O SER A 42 9.550 -12.467 8.080 1.00 0.00 O ATOM 652 CB SER A 42 7.503 -12.052 10.313 1.00 0.00 C ATOM 653 OG SER A 42 8.132 -12.482 11.508 1.00 0.00 O ATOM 0 H SER A 42 6.603 -10.638 8.502 1.00 0.00 H new ATOM 0 HA SER A 42 8.662 -10.242 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.528 -11.623 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.327 -12.909 9.662 1.00 0.00 H new ATOM 0 HG SER A 42 7.564 -13.142 11.958 1.00 0.00 H new ATOM 767 N PRO A 50 12.797 -7.137 9.785 1.00 0.00 N ATOM 768 CA PRO A 50 11.783 -7.392 8.758 1.00 0.00 C ATOM 769 C PRO A 50 11.820 -6.359 7.637 1.00 0.00 C ATOM 770 O PRO A 50 12.419 -5.294 7.781 1.00 0.00 O ATOM 771 CB PRO A 50 10.465 -7.296 9.531 1.00 0.00 C ATOM 772 CG PRO A 50 10.770 -6.415 10.693 1.00 0.00 C ATOM 773 CD PRO A 50 12.203 -6.691 11.056 1.00 0.00 C ATOM 0 HA PRO A 50 11.935 -8.352 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.673 -6.875 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.125 -8.279 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.628 -5.366 10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.107 -6.630 11.531 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.699 -5.800 11.440 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.282 -7.457 11.827 1.00 0.00 H new ATOM 781 N ALA A 51 11.174 -6.681 6.521 1.00 0.00 N ATOM 782 CA ALA A 51 11.131 -5.779 5.377 1.00 0.00 C ATOM 783 C ALA A 51 9.791 -5.056 5.297 1.00 0.00 C ATOM 784 O ALA A 51 8.738 -5.687 5.205 1.00 0.00 O ATOM 785 CB ALA A 51 11.396 -6.547 4.090 1.00 0.00 C ATOM 0 H ALA A 51 10.674 -7.559 6.385 1.00 0.00 H new ATOM 0 HA ALA A 51 11.911 -5.029 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.361 -5.861 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.381 -7.012 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.636 -7.319 3.964 1.00 0.00 H new ATOM 791 N LYS A 52 9.837 -3.729 5.334 1.00 0.00 N ATOM 792 CA LYS A 52 8.627 -2.918 5.265 1.00 0.00 C ATOM 793 C LYS A 52 8.472 -2.287 3.885 1.00 0.00 C ATOM 794 O LYS A 52 9.290 -1.464 3.472 1.00 0.00 O ATOM 795 CB LYS A 52 8.659 -1.826 6.337 1.00 0.00 C ATOM 796 CG LYS A 52 8.513 -2.357 7.752 1.00 0.00 C ATOM 797 CD LYS A 52 7.929 -1.309 8.684 1.00 0.00 C ATOM 798 CE LYS A 52 9.020 -0.469 9.331 1.00 0.00 C ATOM 799 NZ LYS A 52 9.745 0.364 8.332 1.00 0.00 N ATOM 0 H LYS A 52 10.700 -3.191 5.411 1.00 0.00 H new ATOM 0 HA LYS A 52 7.772 -3.570 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.599 -1.279 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.858 -1.113 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.871 -3.238 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.487 -2.674 8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.252 -0.662 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.337 -1.798 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.579 0.177 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.728 -1.123 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.141 1.203 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.516 -0.192 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.085 0.664 7.586 1.00 0.00 H new ATOM 813 N LEU A 53 7.418 -2.677 3.177 1.00 0.00 N ATOM 814 CA LEU A 53 7.155 -2.148 1.843 1.00 0.00 C ATOM 815 C LEU A 53 6.135 -1.015 1.898 1.00 0.00 C ATOM 816 O LEU A 53 5.108 -1.123 2.567 1.00 0.00 O ATOM 817 CB LEU A 53 6.649 -3.260 0.923 1.00 0.00 C ATOM 818 CG LEU A 53 7.724 -4.100 0.232 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.188 -5.484 -0.102 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.222 -3.401 -1.025 1.00 0.00 C ATOM 0 H LEU A 53 6.732 -3.357 3.504 1.00 0.00 H new ATOM 0 HA LEU A 53 8.089 -1.752 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.015 -3.927 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.018 -2.811 0.156 1.00 0.00 H new ATOM 0 HG LEU A 53 8.564 -4.214 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.967 -6.067 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.882 -5.987 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.330 -5.391 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.986 -4.013 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.390 -3.255 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.647 -2.433 -0.759 1.00 0.00 H new ATOM 832 N ASN A 54 6.424 0.070 1.188 1.00 0.00 N ATOM 833 CA ASN A 54 5.532 1.223 1.155 1.00 0.00 C ATOM 834 C ASN A 54 4.376 0.988 0.187 1.00 0.00 C ATOM 835 O ASN A 54 4.582 0.829 -1.017 1.00 0.00 O ATOM 836 CB ASN A 54 6.303 2.481 0.750 1.00 0.00 C ATOM 837 CG ASN A 54 5.568 3.754 1.120 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.309 4.604 0.268 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.228 3.891 2.396 1.00 0.00 N ATOM 0 H ASN A 54 7.270 0.175 0.627 1.00 0.00 H new ATOM 0 HA ASN A 54 5.123 1.363 2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.280 2.476 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.478 2.466 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.731 4.727 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.463 3.160 3.068 1.00 0.00 H new ATOM 846 N LEU A 55 3.160 0.967 0.720 1.00 0.00 N ATOM 847 CA LEU A 55 1.970 0.753 -0.096 1.00 0.00 C ATOM 848 C LEU A 55 1.554 2.039 -0.802 1.00 0.00 C ATOM 849 O LEU A 55 0.739 2.018 -1.725 1.00 0.00 O ATOM 850 CB LEU A 55 0.818 0.239 0.771 1.00 0.00 C ATOM 851 CG LEU A 55 0.871 -1.242 1.148 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.216 -1.588 1.768 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.263 -1.590 2.100 1.00 0.00 C ATOM 0 H LEU A 55 2.972 1.096 1.714 1.00 0.00 H new ATOM 0 HA LEU A 55 2.209 0.006 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.790 0.826 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.118 0.426 0.245 1.00 0.00 H new ATOM 0 HG LEU A 55 0.751 -1.833 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.235 -2.646 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.011 -1.377 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.367 -0.989 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.210 -2.648 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.174 -0.991 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.219 -1.381 1.619 1.00 0.00 H new ATOM 865 N LEU A 56 2.122 3.158 -0.365 1.00 0.00 N ATOM 866 CA LEU A 56 1.813 4.455 -0.957 1.00 0.00 C ATOM 867 C LEU A 56 2.386 4.560 -2.367 1.00 0.00 C ATOM 868 O LEU A 56 2.019 5.452 -3.133 1.00 0.00 O ATOM 869 CB LEU A 56 2.367 5.581 -0.083 1.00 0.00 C ATOM 870 CG LEU A 56 2.234 5.386 1.428 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.546 6.680 2.163 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.838 4.893 1.781 1.00 0.00 C ATOM 0 H LEU A 56 2.799 3.193 0.397 1.00 0.00 H new ATOM 0 HA LEU A 56 0.729 4.551 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.423 5.712 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.861 6.507 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 56 2.955 4.631 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.446 6.522 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.566 6.991 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.850 7.456 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.761 4.760 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.100 5.625 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.652 3.941 1.284 1.00 0.00 H new ATOM 884 N THR A 57 3.288 3.643 -2.704 1.00 0.00 N ATOM 885 CA THR A 57 3.911 3.632 -4.021 1.00 0.00 C ATOM 886 C THR A 57 3.818 2.252 -4.662 1.00 0.00 C ATOM 887 O THR A 57 3.691 2.131 -5.881 1.00 0.00 O ATOM 888 CB THR A 57 5.392 4.052 -3.945 1.00 0.00 C ATOM 889 OG1 THR A 57 6.116 3.492 -5.046 1.00 0.00 O ATOM 890 CG2 THR A 57 6.017 3.596 -2.636 1.00 0.00 C ATOM 0 H THR A 57 3.603 2.898 -2.082 1.00 0.00 H new ATOM 0 HA THR A 57 3.368 4.351 -4.634 1.00 0.00 H new ATOM 0 HB THR A 57 5.442 5.140 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.056 3.764 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.062 3.904 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.481 4.047 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.956 2.510 -2.563 1.00 0.00 H new ATOM 898 N CYS A 58 3.882 1.215 -3.834 1.00 0.00 N ATOM 899 CA CYS A 58 3.804 -0.158 -4.321 1.00 0.00 C ATOM 900 C CYS A 58 2.508 -0.390 -5.090 1.00 0.00 C ATOM 901 O CYS A 58 1.454 0.124 -4.716 1.00 0.00 O ATOM 902 CB CYS A 58 3.902 -1.141 -3.154 1.00 0.00 C ATOM 903 SG CYS A 58 5.595 -1.496 -2.628 1.00 0.00 S ATOM 0 H CYS A 58 3.988 1.299 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 58 4.641 -0.325 -4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.346 -0.739 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.418 -2.075 -3.438 1.00 0.00 H new ATOM 0 HG CYS A 58 5.951 -0.647 -1.710 1.00 0.00 H new ATOM 909 N GLN A 59 2.595 -1.165 -6.166 1.00 0.00 N ATOM 910 CA GLN A 59 1.428 -1.462 -6.989 1.00 0.00 C ATOM 911 C GLN A 59 0.951 -2.893 -6.760 1.00 0.00 C ATOM 912 O GLN A 59 1.743 -3.835 -6.792 1.00 0.00 O ATOM 913 CB GLN A 59 1.754 -1.251 -8.468 1.00 0.00 C ATOM 914 CG GLN A 59 0.546 -0.875 -9.310 1.00 0.00 C ATOM 915 CD GLN A 59 0.919 -0.074 -10.542 1.00 0.00 C ATOM 916 OE1 GLN A 59 1.953 0.594 -10.572 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.077 -0.137 -11.567 1.00 0.00 N ATOM 0 H GLN A 59 3.460 -1.598 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 59 0.628 -0.781 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.507 -0.468 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.195 -2.164 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.024 -1.782 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.150 -0.297 -8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.768 -0.703 -11.498 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.276 0.381 -12.423 1.00 0.00 H new ATOM 926 N VAL A 60 -0.349 -3.048 -6.528 1.00 0.00 N ATOM 927 CA VAL A 60 -0.932 -4.364 -6.294 1.00 0.00 C ATOM 928 C VAL A 60 -1.622 -4.889 -7.548 1.00 0.00 C ATOM 929 O VAL A 60 -2.779 -4.563 -7.816 1.00 0.00 O ATOM 930 CB VAL A 60 -1.948 -4.330 -5.137 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.702 -5.648 -5.050 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.248 -4.019 -3.823 1.00 0.00 C ATOM 0 H VAL A 60 -1.018 -2.279 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.112 -5.031 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.671 -3.538 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.415 -5.605 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.236 -5.824 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.996 -6.460 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.981 -3.999 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.503 -4.787 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.758 -3.048 -3.893 1.00 0.00 H new ATOM 942 N LYS A 61 -0.906 -5.706 -8.313 1.00 0.00 N ATOM 943 CA LYS A 61 -1.449 -6.280 -9.538 1.00 0.00 C ATOM 944 C LYS A 61 -1.850 -7.736 -9.326 1.00 0.00 C ATOM 945 O LYS A 61 -1.031 -8.650 -9.414 1.00 0.00 O ATOM 946 CB LYS A 61 -0.423 -6.182 -10.670 1.00 0.00 C ATOM 947 CG LYS A 61 -0.318 -4.794 -11.277 1.00 0.00 C ATOM 948 CD LYS A 61 0.458 -4.815 -12.584 1.00 0.00 C ATOM 949 CE LYS A 61 -0.421 -5.249 -13.747 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.528 -6.732 -13.838 1.00 0.00 N ATOM 0 H LYS A 61 0.053 -5.986 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.339 -5.713 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.555 -6.478 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.689 -6.893 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.317 -4.396 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.173 -4.123 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.864 -3.823 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.306 -5.494 -12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.416 -4.820 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.012 -4.857 -14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.409 -7.029 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.213 -7.170 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.463 -7.034 -13.496 1.00 0.00 H new ATOM 964 N PRO A 62 -3.142 -7.959 -9.040 1.00 0.00 N ATOM 965 CA PRO A 62 -3.681 -9.302 -8.812 1.00 0.00 C ATOM 966 C PRO A 62 -3.718 -10.137 -10.087 1.00 0.00 C ATOM 967 O PRO A 62 -4.372 -9.770 -11.062 1.00 0.00 O ATOM 968 CB PRO A 62 -5.102 -9.033 -8.308 1.00 0.00 C ATOM 969 CG PRO A 62 -5.457 -7.701 -8.870 1.00 0.00 C ATOM 970 CD PRO A 62 -4.175 -6.916 -8.919 1.00 0.00 C ATOM 0 HA PRO A 62 -3.068 -9.874 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.795 -9.803 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.141 -9.026 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.892 -7.801 -9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.198 -7.200 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.155 -6.231 -9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.037 -6.315 -8.020 1.00 0.00 H new ATOM 978 N ASN A 63 -3.011 -11.263 -10.073 1.00 0.00 N ATOM 979 CA ASN A 63 -2.963 -12.150 -11.230 1.00 0.00 C ATOM 980 C ASN A 63 -4.328 -12.237 -11.905 1.00 0.00 C ATOM 981 O ASN A 63 -5.356 -11.951 -11.291 1.00 0.00 O ATOM 982 CB ASN A 63 -2.500 -13.546 -10.809 1.00 0.00 C ATOM 983 CG ASN A 63 -0.990 -13.685 -10.830 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.415 -14.178 -11.801 1.00 0.00 O ATOM 985 ND2 ASN A 63 -0.340 -13.249 -9.757 1.00 0.00 N ATOM 0 H ASN A 63 -2.464 -11.582 -9.274 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.250 -11.738 -11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.868 -13.761 -9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.940 -14.288 -11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.677 -13.316 -9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.858 -12.847 -8.975 1.00 0.00 H new ATOM 992 N ALA A 64 -4.331 -12.636 -13.173 1.00 0.00 N ATOM 993 CA ALA A 64 -5.569 -12.763 -13.931 1.00 0.00 C ATOM 994 C ALA A 64 -6.039 -14.214 -13.975 1.00 0.00 C ATOM 995 O ALA A 64 -7.145 -14.530 -13.539 1.00 0.00 O ATOM 996 CB ALA A 64 -5.382 -12.225 -15.342 1.00 0.00 C ATOM 0 H ALA A 64 -3.489 -12.877 -13.697 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.336 -12.174 -13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.315 -12.326 -15.897 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.100 -11.173 -15.296 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.597 -12.790 -15.846 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.191 -15.090 -14.504 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.522 -16.507 -14.605 1.00 0.00 C ATOM 1004 C GLU A 65 -5.797 -17.101 -13.227 1.00 0.00 C ATOM 1005 O GLU A 65 -6.832 -17.732 -13.007 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.384 -17.272 -15.284 1.00 0.00 C ATOM 1007 CG GLU A 65 -4.382 -17.143 -16.798 1.00 0.00 C ATOM 1008 CD GLU A 65 -3.216 -17.867 -17.444 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -2.069 -17.661 -16.996 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -3.452 -18.638 -18.397 1.00 0.00 O ATOM 0 H GLU A 65 -4.271 -14.844 -14.869 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.425 -16.601 -15.209 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.432 -16.910 -14.896 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.457 -18.326 -15.018 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.316 -17.541 -17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.345 -16.088 -17.069 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.865 -16.895 -12.303 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.007 -17.409 -10.946 1.00 0.00 C ATOM 1019 C ASP A 66 -5.748 -16.411 -10.062 1.00 0.00 C ATOM 1020 O ASP A 66 -5.399 -15.231 -10.011 1.00 0.00 O ATOM 1021 CB ASP A 66 -3.633 -17.717 -10.349 1.00 0.00 C ATOM 1022 CG ASP A 66 -2.874 -18.757 -11.149 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.407 -19.871 -11.331 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -1.745 -18.457 -11.593 1.00 0.00 O ATOM 0 H ASP A 66 -4.003 -16.376 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.590 -18.329 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.046 -16.799 -10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.756 -18.069 -9.325 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.773 -16.892 -9.367 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.564 -16.043 -8.484 1.00 0.00 C ATOM 1031 C LYS A 67 -6.892 -15.899 -7.122 1.00 0.00 C ATOM 1032 O LYS A 67 -7.097 -14.909 -6.419 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.970 -16.623 -8.311 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.883 -16.369 -9.498 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.576 -15.021 -9.391 1.00 0.00 C ATOM 1036 CE LYS A 67 -9.625 -13.878 -9.713 1.00 0.00 C ATOM 1037 NZ LYS A 67 -10.352 -12.674 -10.203 1.00 0.00 N ATOM 0 H LYS A 67 -7.076 -17.866 -9.398 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.637 -15.056 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.893 -17.698 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.423 -16.195 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.302 -16.408 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.631 -17.160 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.425 -14.992 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.972 -14.893 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.053 -13.619 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.909 -14.203 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.670 -11.917 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.878 -12.914 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.017 -12.349 -9.472 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.087 -16.891 -6.756 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.382 -16.873 -5.480 1.00 0.00 C ATOM 1053 C LYS A 68 -3.915 -16.503 -5.675 1.00 0.00 C ATOM 1054 O LYS A 68 -3.019 -17.233 -5.249 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.488 -18.238 -4.797 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.723 -18.388 -3.925 1.00 0.00 C ATOM 1057 CD LYS A 68 -6.714 -19.704 -3.166 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.959 -20.884 -4.093 1.00 0.00 C ATOM 1059 NZ LYS A 68 -6.755 -22.186 -3.400 1.00 0.00 N ATOM 0 H LYS A 68 -5.907 -17.718 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.848 -16.119 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.495 -19.017 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.600 -18.399 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.773 -17.560 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.617 -18.331 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.755 -19.828 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.480 -19.684 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.976 -20.835 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.287 -20.819 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.932 -22.965 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.777 -22.244 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.414 -22.260 -2.599 1.00 0.00 H new ATOM 1073 N SER A 69 -3.676 -15.365 -6.319 1.00 0.00 N ATOM 1074 CA SER A 69 -2.318 -14.900 -6.571 1.00 0.00 C ATOM 1075 C SER A 69 -2.303 -13.405 -6.876 1.00 0.00 C ATOM 1076 O SER A 69 -3.180 -12.894 -7.573 1.00 0.00 O ATOM 1077 CB SER A 69 -1.698 -15.676 -7.735 1.00 0.00 C ATOM 1078 OG SER A 69 -1.475 -17.030 -7.383 1.00 0.00 O ATOM 0 H SER A 69 -4.406 -14.748 -6.676 1.00 0.00 H new ATOM 0 HA SER A 69 -1.728 -15.075 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.357 -15.626 -8.602 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.755 -15.212 -8.024 1.00 0.00 H new ATOM 0 HG SER A 69 -1.986 -17.246 -6.575 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.301 -12.710 -6.349 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.172 -11.273 -6.564 1.00 0.00 C ATOM 1086 C PHE A 70 0.296 -10.858 -6.594 1.00 0.00 C ATOM 1087 O PHE A 70 1.097 -11.308 -5.774 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.909 -10.503 -5.466 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.184 -10.493 -4.151 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.346 -11.531 -3.247 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.340 -9.446 -3.818 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.680 -11.525 -2.036 1.00 0.00 C ATOM 1093 CE2 PHE A 70 0.329 -9.435 -2.609 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.158 -10.475 -1.716 1.00 0.00 C ATOM 0 H PHE A 70 -0.567 -13.118 -5.770 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.619 -11.033 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.063 -9.475 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.896 -10.943 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.001 -12.354 -3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.203 -8.629 -4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.815 -12.340 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.985 -8.614 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.678 -10.467 -0.770 1.00 0.00 H new ATOM 1104 N ASP A 71 0.642 -9.997 -7.545 1.00 0.00 N ATOM 1105 CA ASP A 71 2.013 -9.519 -7.682 1.00 0.00 C ATOM 1106 C ASP A 71 2.157 -8.111 -7.115 1.00 0.00 C ATOM 1107 O ASP A 71 1.406 -7.204 -7.477 1.00 0.00 O ATOM 1108 CB ASP A 71 2.437 -9.537 -9.152 1.00 0.00 C ATOM 1109 CG ASP A 71 2.685 -10.942 -9.666 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.006 -11.875 -9.191 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.559 -11.107 -10.543 1.00 0.00 O ATOM 0 H ASP A 71 -0.008 -9.616 -8.232 1.00 0.00 H new ATOM 0 HA ASP A 71 2.663 -10.187 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.663 -9.064 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.343 -8.944 -9.273 1.00 0.00 H new ATOM 1116 N LEU A 72 3.127 -7.934 -6.224 1.00 0.00 N ATOM 1117 CA LEU A 72 3.369 -6.635 -5.606 1.00 0.00 C ATOM 1118 C LEU A 72 4.570 -5.944 -6.244 1.00 0.00 C ATOM 1119 O LEU A 72 5.719 -6.273 -5.946 1.00 0.00 O ATOM 1120 CB LEU A 72 3.600 -6.799 -4.103 1.00 0.00 C ATOM 1121 CG LEU A 72 3.571 -5.514 -3.275 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.182 -4.895 -3.299 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.008 -5.791 -1.844 1.00 0.00 C ATOM 0 H LEU A 72 3.758 -8.673 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 72 2.488 -6.014 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.842 -7.477 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.566 -7.281 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 72 4.271 -4.805 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.180 -3.981 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.906 -4.659 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.462 -5.600 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.981 -4.865 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.333 -6.518 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.023 -6.189 -1.844 1.00 0.00 H new ATOM 1135 N ILE A 73 4.297 -4.984 -7.121 1.00 0.00 N ATOM 1136 CA ILE A 73 5.355 -4.244 -7.798 1.00 0.00 C ATOM 1137 C ILE A 73 5.902 -3.132 -6.910 1.00 0.00 C ATOM 1138 O ILE A 73 5.231 -2.128 -6.670 1.00 0.00 O ATOM 1139 CB ILE A 73 4.856 -3.632 -9.120 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.506 -4.738 -10.119 1.00 0.00 C ATOM 1141 CG2 ILE A 73 5.908 -2.700 -9.702 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.409 -4.353 -11.086 1.00 0.00 C ATOM 0 H ILE A 73 3.352 -4.700 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 73 6.151 -4.957 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 73 3.956 -3.052 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.400 -5.003 -10.683 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.200 -5.629 -9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.541 -2.275 -10.636 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.114 -1.897 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.824 -3.259 -9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.213 -5.184 -11.764 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.501 -4.116 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.720 -3.481 -11.661 1.00 0.00 H new ATOM 1154 N SER A 74 7.127 -3.316 -6.427 1.00 0.00 N ATOM 1155 CA SER A 74 7.765 -2.329 -5.564 1.00 0.00 C ATOM 1156 C SER A 74 8.665 -1.401 -6.374 1.00 0.00 C ATOM 1157 O SER A 74 9.270 -1.813 -7.365 1.00 0.00 O ATOM 1158 CB SER A 74 8.580 -3.025 -4.473 1.00 0.00 C ATOM 1159 OG SER A 74 8.936 -2.117 -3.445 1.00 0.00 O ATOM 0 H SER A 74 7.697 -4.140 -6.619 1.00 0.00 H new ATOM 0 HA SER A 74 6.983 -1.731 -5.097 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.002 -3.848 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.481 -3.458 -4.908 1.00 0.00 H new ATOM 0 HG SER A 74 8.126 -1.707 -3.075 1.00 0.00 H new ATOM 1165 N HIS A 75 8.750 -0.146 -5.945 1.00 0.00 N ATOM 1166 CA HIS A 75 9.577 0.842 -6.629 1.00 0.00 C ATOM 1167 C HIS A 75 11.013 0.346 -6.767 1.00 0.00 C ATOM 1168 O HIS A 75 11.799 0.896 -7.537 1.00 0.00 O ATOM 1169 CB HIS A 75 9.554 2.170 -5.871 1.00 0.00 C ATOM 1170 CG HIS A 75 10.705 3.069 -6.205 1.00 0.00 C ATOM 1171 ND1 HIS A 75 12.011 3.003 -5.856 1.00 0.00 N flip ATOM 1172 CD2 HIS A 75 10.575 4.198 -6.986 1.00 0.00 C flip ATOM 1173 CE1 HIS A 75 12.641 4.080 -6.428 1.00 0.00 C flip ATOM 1174 NE2 HIS A 75 11.753 4.785 -7.106 1.00 0.00 N flip ATOM 0 H HIS A 75 8.256 0.211 -5.127 1.00 0.00 H new ATOM 0 HA HIS A 75 9.167 0.995 -7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.622 2.689 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.560 1.968 -4.800 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.655 4.548 -7.430 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.692 4.313 -6.338 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.944 5.637 -7.633 1.00 0.00 H new ATOM 1183 N ASN A 76 11.349 -0.697 -6.014 1.00 0.00 N ATOM 1184 CA ASN A 76 12.691 -1.266 -6.052 1.00 0.00 C ATOM 1185 C ASN A 76 12.728 -2.515 -6.928 1.00 0.00 C ATOM 1186 O ASN A 76 13.669 -2.720 -7.694 1.00 0.00 O ATOM 1187 CB ASN A 76 13.162 -1.608 -4.637 1.00 0.00 C ATOM 1188 CG ASN A 76 14.670 -1.740 -4.546 1.00 0.00 C ATOM 1189 OD1 ASN A 76 15.315 -2.261 -5.457 1.00 0.00 O ATOM 1190 ND2 ASN A 76 15.240 -1.269 -3.443 1.00 0.00 N ATOM 0 H ASN A 76 10.711 -1.165 -5.371 1.00 0.00 H new ATOM 0 HA ASN A 76 13.362 -0.522 -6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.826 -0.833 -3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.698 -2.542 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.251 -1.331 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.667 -0.845 -2.714 1.00 0.00 H new ATOM 1197 N ARG A 77 11.697 -3.345 -6.809 1.00 0.00 N ATOM 1198 CA ARG A 77 11.612 -4.573 -7.590 1.00 0.00 C ATOM 1199 C ARG A 77 10.238 -5.221 -7.436 1.00 0.00 C ATOM 1200 O ARG A 77 9.545 -5.005 -6.441 1.00 0.00 O ATOM 1201 CB ARG A 77 12.701 -5.555 -7.156 1.00 0.00 C ATOM 1202 CG ARG A 77 13.178 -6.469 -8.273 1.00 0.00 C ATOM 1203 CD ARG A 77 12.382 -7.765 -8.310 1.00 0.00 C ATOM 1204 NE ARG A 77 12.279 -8.305 -9.662 1.00 0.00 N ATOM 1205 CZ ARG A 77 11.802 -9.515 -9.936 1.00 0.00 C ATOM 1206 NH1 ARG A 77 11.387 -10.305 -8.956 1.00 0.00 N ATOM 1207 NH2 ARG A 77 11.740 -9.936 -11.193 1.00 0.00 N ATOM 0 H ARG A 77 10.909 -3.190 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 77 11.760 -4.317 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.552 -4.993 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.322 -6.165 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.084 -5.956 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.235 -6.694 -8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 77 12.857 -8.501 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.382 -7.588 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 77 12.590 -7.722 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.433 -9.985 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.021 -11.233 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.059 -9.331 -11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.374 -10.865 -11.402 1.00 0.00 H new ATOM 1221 N THR A 78 9.850 -6.016 -8.428 1.00 0.00 N ATOM 1222 CA THR A 78 8.560 -6.693 -8.405 1.00 0.00 C ATOM 1223 C THR A 78 8.615 -7.952 -7.547 1.00 0.00 C ATOM 1224 O THR A 78 9.529 -8.766 -7.681 1.00 0.00 O ATOM 1225 CB THR A 78 8.098 -7.073 -9.824 1.00 0.00 C ATOM 1226 OG1 THR A 78 8.180 -5.932 -10.687 1.00 0.00 O ATOM 1227 CG2 THR A 78 6.672 -7.600 -9.807 1.00 0.00 C ATOM 0 H THR A 78 10.411 -6.207 -9.258 1.00 0.00 H new ATOM 0 HA THR A 78 7.844 -5.993 -7.974 1.00 0.00 H new ATOM 0 HB THR A 78 8.754 -7.860 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.886 -6.182 -11.588 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.369 -7.862 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.619 -8.485 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.005 -6.832 -9.415 1.00 0.00 H new ATOM 1235 N TYR A 79 7.633 -8.107 -6.667 1.00 0.00 N ATOM 1236 CA TYR A 79 7.571 -9.267 -5.786 1.00 0.00 C ATOM 1237 C TYR A 79 6.385 -10.158 -6.141 1.00 0.00 C ATOM 1238 O TYR A 79 5.504 -9.764 -6.907 1.00 0.00 O ATOM 1239 CB TYR A 79 7.469 -8.821 -4.327 1.00 0.00 C ATOM 1240 CG TYR A 79 8.754 -8.242 -3.779 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.427 -7.232 -4.455 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.296 -8.705 -2.587 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.602 -6.700 -3.959 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.469 -8.179 -2.083 1.00 0.00 C ATOM 1245 CZ TYR A 79 11.119 -7.177 -2.772 1.00 0.00 C ATOM 1246 OH TYR A 79 12.288 -6.651 -2.274 1.00 0.00 O ATOM 0 H TYR A 79 6.868 -7.443 -6.544 1.00 0.00 H new ATOM 0 HA TYR A 79 8.487 -9.842 -5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.678 -8.076 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.175 -9.674 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.025 -6.856 -5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.791 -9.491 -2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.113 -5.915 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.875 -8.551 -1.154 1.00 0.00 H new ATOM 0 HH TYR A 79 12.514 -7.096 -1.431 1.00 0.00 H new ATOM 1256 N HIS A 80 6.368 -11.363 -5.578 1.00 0.00 N ATOM 1257 CA HIS A 80 5.290 -12.311 -5.834 1.00 0.00 C ATOM 1258 C HIS A 80 4.710 -12.839 -4.525 1.00 0.00 C ATOM 1259 O HIS A 80 5.435 -13.052 -3.554 1.00 0.00 O ATOM 1260 CB HIS A 80 5.797 -13.475 -6.686 1.00 0.00 C ATOM 1261 CG HIS A 80 6.615 -13.042 -7.864 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.116 -12.253 -8.878 1.00 0.00 N ATOM 1263 CD2 HIS A 80 7.907 -13.292 -8.184 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.064 -12.038 -9.773 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.161 -12.657 -9.375 1.00 0.00 N ATOM 0 H HIS A 80 7.088 -11.705 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 80 4.502 -11.789 -6.377 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.396 -14.138 -6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.944 -14.055 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.607 -13.881 -7.610 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.960 -11.455 -10.676 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.052 -12.662 -9.872 1.00 0.00 H new ATOM 1274 N PHE A 81 3.397 -13.047 -4.507 1.00 0.00 N ATOM 1275 CA PHE A 81 2.719 -13.548 -3.317 1.00 0.00 C ATOM 1276 C PHE A 81 1.565 -14.471 -3.697 1.00 0.00 C ATOM 1277 O PHE A 81 1.002 -14.361 -4.786 1.00 0.00 O ATOM 1278 CB PHE A 81 2.199 -12.383 -2.472 1.00 0.00 C ATOM 1279 CG PHE A 81 3.289 -11.566 -1.841 1.00 0.00 C ATOM 1280 CD1 PHE A 81 4.201 -12.153 -0.978 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.403 -10.212 -2.110 1.00 0.00 C ATOM 1282 CE1 PHE A 81 5.205 -11.403 -0.395 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.405 -9.457 -1.530 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.308 -10.054 -0.673 1.00 0.00 C ATOM 0 H PHE A 81 2.782 -12.876 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 81 3.440 -14.119 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.587 -11.735 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.550 -12.774 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.126 -13.208 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.700 -9.740 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.908 -11.871 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.481 -8.402 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.094 -9.467 -0.221 1.00 0.00 H new ATOM 1294 N GLN A 82 1.221 -15.381 -2.792 1.00 0.00 N ATOM 1295 CA GLN A 82 0.135 -16.324 -3.032 1.00 0.00 C ATOM 1296 C GLN A 82 -0.714 -16.509 -1.779 1.00 0.00 C ATOM 1297 O GLN A 82 -0.210 -16.905 -0.728 1.00 0.00 O ATOM 1298 CB GLN A 82 0.695 -17.674 -3.486 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.247 -18.449 -4.393 1.00 0.00 C ATOM 1300 CD GLN A 82 0.460 -19.539 -5.174 1.00 0.00 C ATOM 1301 OE1 GLN A 82 0.524 -20.689 -4.739 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.996 -19.183 -6.335 1.00 0.00 N ATOM 0 H GLN A 82 1.678 -15.485 -1.886 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.498 -15.916 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.637 -17.510 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.920 -18.279 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.040 -18.894 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.724 -17.759 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.919 -18.218 -6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.484 -19.874 -6.904 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.005 -16.218 -1.897 1.00 0.00 N ATOM 1312 CA ALA A 83 -2.924 -16.353 -0.774 1.00 0.00 C ATOM 1313 C ALA A 83 -3.222 -17.820 -0.481 1.00 0.00 C ATOM 1314 O ALA A 83 -3.274 -18.645 -1.392 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.214 -15.596 -1.053 1.00 0.00 C ATOM 0 H ALA A 83 -2.438 -15.887 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.447 -15.923 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.891 -15.706 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.991 -14.540 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.686 -15.999 -1.949 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.417 -18.136 0.795 1.00 0.00 N ATOM 1322 CA GLU A 84 -3.708 -19.505 1.206 1.00 0.00 C ATOM 1323 C GLU A 84 -5.111 -19.917 0.771 1.00 0.00 C ATOM 1324 O GLU A 84 -5.328 -21.042 0.322 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.571 -19.645 2.724 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.141 -19.868 3.187 1.00 0.00 C ATOM 1327 CD GLU A 84 -1.980 -19.695 4.685 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.123 -18.553 5.170 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.711 -20.702 5.373 1.00 0.00 O ATOM 0 H GLU A 84 -3.379 -17.464 1.561 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.988 -20.164 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.962 -18.746 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.187 -20.478 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.824 -20.872 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.483 -19.169 2.671 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.060 -18.997 0.908 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.443 -19.264 0.529 1.00 0.00 C ATOM 1338 C ASP A 85 -7.972 -18.173 -0.397 1.00 0.00 C ATOM 1339 O ASP A 85 -7.396 -17.090 -0.488 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.325 -19.364 1.775 1.00 0.00 C ATOM 1341 CG ASP A 85 -7.965 -18.331 2.824 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -6.830 -18.382 3.343 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.818 -17.470 3.126 1.00 0.00 O ATOM 0 H ASP A 85 -5.897 -18.061 1.278 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.471 -20.214 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.369 -19.238 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.231 -20.361 2.204 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.072 -18.469 -1.084 1.00 0.00 N ATOM 1349 CA GLU A 86 -9.676 -17.514 -2.005 1.00 0.00 C ATOM 1350 C GLU A 86 -10.148 -16.267 -1.263 1.00 0.00 C ATOM 1351 O GLU A 86 -10.070 -15.155 -1.786 1.00 0.00 O ATOM 1352 CB GLU A 86 -10.852 -18.158 -2.742 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.102 -17.569 -4.121 1.00 0.00 C ATOM 1354 CD GLU A 86 -11.840 -16.246 -4.066 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -12.695 -16.080 -3.171 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -11.561 -15.376 -4.917 1.00 0.00 O ATOM 0 H GLU A 86 -9.562 -19.361 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.919 -17.219 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.666 -19.227 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.753 -18.046 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.148 -17.428 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.679 -18.278 -4.715 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.639 -16.461 -0.043 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.124 -15.352 0.770 1.00 0.00 C ATOM 1365 C GLN A 87 -9.978 -14.433 1.178 1.00 0.00 C ATOM 1366 O GLN A 87 -10.078 -13.211 1.062 1.00 0.00 O ATOM 1367 CB GLN A 87 -11.838 -15.880 2.015 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.095 -16.677 1.705 1.00 0.00 C ATOM 1369 CD GLN A 87 -13.580 -17.488 2.890 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.125 -17.293 4.018 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.510 -18.403 2.641 1.00 0.00 N ATOM 0 H GLN A 87 -10.711 -17.375 0.404 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.830 -14.777 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.149 -16.509 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.100 -15.039 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.884 -15.995 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.899 -17.347 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.858 -18.531 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.876 -18.978 3.400 1.00 0.00 H new ATOM 1380 N ASP A 88 -8.890 -15.028 1.655 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.724 -14.263 2.080 1.00 0.00 C ATOM 1382 C ASP A 88 -7.237 -13.348 0.960 1.00 0.00 C ATOM 1383 O ASP A 88 -6.820 -12.216 1.206 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.599 -15.204 2.512 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.663 -14.565 3.518 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -5.767 -13.338 3.729 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.824 -15.290 4.094 1.00 0.00 O ATOM 0 H ASP A 88 -8.791 -16.038 1.757 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.016 -13.645 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.031 -16.107 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.030 -15.511 1.635 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.291 -13.847 -0.270 1.00 0.00 N ATOM 1393 CA TYR A 89 -6.852 -13.077 -1.427 1.00 0.00 C ATOM 1394 C TYR A 89 -7.759 -11.871 -1.654 1.00 0.00 C ATOM 1395 O TYR A 89 -7.332 -10.724 -1.519 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.836 -13.959 -2.677 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.951 -13.181 -3.969 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.850 -12.531 -4.511 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.161 -13.096 -4.646 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.951 -11.818 -5.691 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.271 -12.387 -5.826 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.163 -11.750 -6.345 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.268 -11.042 -7.520 1.00 0.00 O ATOM 0 H TYR A 89 -7.635 -14.782 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.842 -12.718 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.912 -14.537 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.658 -14.673 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.899 -12.583 -4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.031 -13.593 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.085 -11.317 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.219 -12.332 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.188 -11.095 -7.853 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.014 -12.138 -2.001 1.00 0.00 N ATOM 1414 CA VAL A 90 -9.983 -11.077 -2.245 1.00 0.00 C ATOM 1415 C VAL A 90 -9.840 -9.956 -1.221 1.00 0.00 C ATOM 1416 O VAL A 90 -9.866 -8.776 -1.569 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.426 -11.614 -2.205 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.419 -10.499 -2.496 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.595 -12.760 -3.191 1.00 0.00 C ATOM 0 H VAL A 90 -9.383 -13.081 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.778 -10.684 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.626 -11.994 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.433 -10.897 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.313 -9.713 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.223 -10.086 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.620 -13.127 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.376 -12.408 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.910 -13.567 -2.932 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.690 -10.334 0.044 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.541 -9.361 1.119 1.00 0.00 C ATOM 1431 C ALA A 91 -8.234 -8.588 0.982 1.00 0.00 C ATOM 1432 O ALA A 91 -8.239 -7.370 0.802 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.606 -10.056 2.472 1.00 0.00 C ATOM 0 H ALA A 91 -9.668 -11.307 0.349 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.363 -8.649 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.493 -9.318 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.568 -10.558 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.804 -10.790 2.543 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.117 -9.301 1.069 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.803 -8.680 0.955 1.00 0.00 C ATOM 1441 C TRP A 92 -5.806 -7.591 -0.112 1.00 0.00 C ATOM 1442 O TRP A 92 -5.598 -6.415 0.188 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.745 -9.734 0.622 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.127 -10.359 1.836 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.114 -11.686 2.159 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.435 -9.681 2.891 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.454 -11.874 3.349 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.028 -10.660 3.818 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.117 -8.343 3.140 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.321 -10.341 4.975 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.416 -8.028 4.289 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.024 -9.023 5.194 1.00 0.00 C ATOM 0 H TRP A 92 -7.095 -10.310 1.218 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.561 -8.222 1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.199 -10.514 0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.961 -9.274 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.557 -12.472 1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.305 -12.772 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.414 -7.569 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.018 -11.106 5.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.166 -6.997 4.493 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.476 -8.744 6.082 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.042 -7.990 -1.357 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.073 -7.046 -2.468 1.00 0.00 C ATOM 1465 C ILE A 93 -6.844 -5.784 -2.096 1.00 0.00 C ATOM 1466 O ILE A 93 -6.400 -4.669 -2.370 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.711 -7.673 -3.722 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.842 -8.819 -4.244 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.909 -6.617 -4.800 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.427 -8.401 -4.577 1.00 0.00 C ATOM 0 H ILE A 93 -6.214 -8.960 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.038 -6.785 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.687 -8.076 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.812 -9.611 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.307 -9.240 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.361 -7.075 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.564 -5.831 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.944 -6.187 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.869 -9.264 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.447 -7.630 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.944 -8.007 -3.683 1.00 0.00 H new ATOM 1482 N SER A 94 -8.002 -5.968 -1.468 1.00 0.00 N ATOM 1483 CA SER A 94 -8.836 -4.845 -1.059 1.00 0.00 C ATOM 1484 C SER A 94 -8.077 -3.920 -0.113 1.00 0.00 C ATOM 1485 O SER A 94 -8.116 -2.698 -0.257 1.00 0.00 O ATOM 1486 CB SER A 94 -10.112 -5.350 -0.383 1.00 0.00 C ATOM 1487 OG SER A 94 -11.187 -4.449 -0.585 1.00 0.00 O ATOM 0 H SER A 94 -8.383 -6.884 -1.232 1.00 0.00 H new ATOM 0 HA SER A 94 -9.105 -4.280 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.375 -6.330 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.936 -5.477 0.685 1.00 0.00 H new ATOM 0 HG SER A 94 -11.983 -4.780 -0.119 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.387 -4.512 0.856 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.617 -3.743 1.827 1.00 0.00 C ATOM 1495 C VAL A 95 -5.390 -3.112 1.179 1.00 0.00 C ATOM 1496 O VAL A 95 -5.327 -1.895 0.997 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.165 -4.622 3.008 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.094 -3.802 4.287 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.101 -5.809 3.177 1.00 0.00 C ATOM 0 H VAL A 95 -7.345 -5.522 0.990 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.273 -2.956 2.200 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.167 -5.004 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.773 -4.440 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.380 -2.988 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.078 -3.389 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.767 -6.419 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.112 -5.450 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.096 -6.409 2.267 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.416 -3.945 0.831 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.190 -3.469 0.202 1.00 0.00 C ATOM 1511 C LEU A 96 -3.468 -2.265 -0.692 1.00 0.00 C ATOM 1512 O LEU A 96 -2.784 -1.245 -0.610 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.545 -4.589 -0.617 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.147 -5.845 0.160 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.144 -7.060 -0.755 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.783 -5.660 0.809 1.00 0.00 C ATOM 0 H LEU A 96 -4.452 -4.954 0.974 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.503 -3.162 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.237 -4.879 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.655 -4.190 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.882 -6.011 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.859 -7.944 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.141 -7.204 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.431 -6.904 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.516 -6.563 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.036 -5.469 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.819 -4.815 1.497 1.00 0.00 H new ATOM 1528 N THR A 97 -4.479 -2.391 -1.547 1.00 0.00 N ATOM 1529 CA THR A 97 -4.849 -1.313 -2.456 1.00 0.00 C ATOM 1530 C THR A 97 -5.500 -0.158 -1.704 1.00 0.00 C ATOM 1531 O THR A 97 -5.219 1.008 -1.974 1.00 0.00 O ATOM 1532 CB THR A 97 -5.815 -1.808 -3.550 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.278 -2.972 -4.187 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.058 -0.722 -4.587 1.00 0.00 C ATOM 0 H THR A 97 -5.056 -3.228 -1.629 1.00 0.00 H new ATOM 0 HA THR A 97 -3.928 -0.965 -2.924 1.00 0.00 H new ATOM 0 HB THR A 97 -6.766 -2.059 -3.079 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.554 -3.772 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.743 -1.094 -5.349 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.494 0.152 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.112 -0.445 -5.053 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.372 -0.492 -0.757 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.064 0.519 0.035 1.00 0.00 C ATOM 1544 C ASN A 98 -6.066 1.423 0.753 1.00 0.00 C ATOM 1545 O ASN A 98 -5.945 2.606 0.435 1.00 0.00 O ATOM 1546 CB ASN A 98 -7.990 -0.148 1.054 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.331 -0.526 0.455 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.747 0.026 -0.563 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.014 -1.474 1.087 1.00 0.00 N ATOM 0 H ASN A 98 -6.616 -1.454 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.660 1.131 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.507 -1.041 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.148 0.528 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.922 -1.772 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.630 -1.904 1.928 1.00 0.00 H new ATOM 1556 N SER A 99 -5.355 0.858 1.723 1.00 0.00 N ATOM 1557 CA SER A 99 -4.370 1.614 2.488 1.00 0.00 C ATOM 1558 C SER A 99 -3.648 2.621 1.599 1.00 0.00 C ATOM 1559 O SER A 99 -3.328 3.730 2.030 1.00 0.00 O ATOM 1560 CB SER A 99 -3.356 0.665 3.132 1.00 0.00 C ATOM 1561 OG SER A 99 -2.807 1.230 4.310 1.00 0.00 O ATOM 0 H SER A 99 -5.442 -0.120 1.998 1.00 0.00 H new ATOM 0 HA SER A 99 -4.895 2.159 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.840 -0.282 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.557 0.446 2.423 1.00 0.00 H new ATOM 0 HG SER A 99 -3.261 0.856 5.094 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.393 2.228 0.356 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.710 3.096 -0.596 1.00 0.00 C ATOM 1569 C LYS A 100 -3.491 4.388 -0.813 1.00 0.00 C ATOM 1570 O LYS A 100 -3.005 5.476 -0.505 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.521 2.372 -1.932 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.514 3.043 -2.850 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.178 4.073 -3.748 1.00 0.00 C ATOM 1574 CE LYS A 100 -1.260 4.497 -4.884 1.00 0.00 C ATOM 1575 NZ LYS A 100 -1.398 3.605 -6.069 1.00 0.00 N ATOM 0 H LYS A 100 -3.649 1.313 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.733 3.348 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.199 1.349 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.482 2.312 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.740 3.525 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.020 2.289 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.099 3.659 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.456 4.946 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.489 5.523 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.226 4.486 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.757 3.926 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.155 2.630 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.379 3.635 -6.414 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.703 4.260 -1.343 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.550 5.419 -1.599 1.00 0.00 C ATOM 1591 C GLU A 101 -5.937 6.110 -0.294 1.00 0.00 C ATOM 1592 O GLU A 101 -5.862 7.333 -0.182 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.810 5.000 -2.359 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.546 3.995 -3.468 1.00 0.00 C ATOM 1595 CD GLU A 101 -7.733 3.826 -4.396 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -8.109 4.812 -5.064 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -8.286 2.708 -4.455 1.00 0.00 O ATOM 0 H GLU A 101 -5.120 3.366 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.983 6.123 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.523 4.572 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.277 5.887 -2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.680 4.317 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.294 3.031 -3.027 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.350 5.316 0.689 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.750 5.851 1.985 1.00 0.00 C ATOM 1606 C GLU A 102 -5.631 6.691 2.595 1.00 0.00 C ATOM 1607 O GLU A 102 -5.867 7.503 3.489 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.125 4.714 2.938 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.544 4.205 2.748 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.590 5.230 3.141 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.784 5.443 4.356 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.214 5.820 2.234 1.00 0.00 O ATOM 0 H GLU A 102 -6.416 4.301 0.613 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.620 6.490 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.429 3.887 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.006 5.058 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.689 3.926 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.685 3.302 3.342 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.412 6.489 2.105 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.258 7.228 2.600 1.00 0.00 C ATOM 1621 C ALA A 103 -3.053 8.518 1.814 1.00 0.00 C ATOM 1622 O ALA A 103 -2.684 9.549 2.378 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.008 6.362 2.531 1.00 0.00 C ATOM 0 H ALA A 103 -4.199 5.820 1.366 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.447 7.493 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.153 6.926 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.149 5.471 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.826 6.068 1.497 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.295 8.455 0.509 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.137 9.619 -0.356 1.00 0.00 C ATOM 1631 C LEU A 104 -4.321 10.569 -0.211 1.00 0.00 C ATOM 1632 O LEU A 104 -4.154 11.738 0.139 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.996 9.180 -1.815 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.615 8.671 -2.232 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.721 7.799 -3.473 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.669 9.837 -2.477 1.00 0.00 C ATOM 0 H LEU A 104 -3.601 7.610 0.027 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.232 10.146 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.725 8.393 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.259 10.023 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.211 8.066 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.729 7.446 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.364 6.945 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.145 8.381 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.309 9.456 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.068 10.469 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.569 10.423 -1.563 1.00 0.00 H new ATOM 1648 N THR A 105 -5.519 10.060 -0.482 1.00 0.00 N ATOM 1649 CA THR A 105 -6.731 10.862 -0.381 1.00 0.00 C ATOM 1650 C THR A 105 -6.674 11.796 0.823 1.00 0.00 C ATOM 1651 O THR A 105 -7.101 12.948 0.748 1.00 0.00 O ATOM 1652 CB THR A 105 -7.985 9.974 -0.269 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.165 10.770 -0.428 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.025 9.262 1.075 1.00 0.00 C ATOM 0 H THR A 105 -5.675 9.095 -0.773 1.00 0.00 H new ATOM 0 HA THR A 105 -6.795 11.454 -1.294 1.00 0.00 H new ATOM 0 HB THR A 105 -7.944 9.224 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.958 10.198 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.919 8.641 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.140 8.635 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.045 10.000 1.877 1.00 0.00 H new