USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.82 K(o=4.3,f=-5.7!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.0659 K(o=4.3,f=2.1) USER MOD Set 1.3: A 55 THR OG1 : rot 79:sc= 1.42 USER MOD Set 1.4: A 58 THR OG1 : rot 112:sc= 1.05 USER MOD Set 1.5: A 68 THR OG1 : rot -70:sc= 0.0672 USER MOD Set 2.1: A 25 THR OG1 : rot 74:sc= 2.26 USER MOD Set 2.2: A 31 TYR OH : rot 12:sc= 0.592 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -61:sc= 0.93 USER MOD Single : A 10 THR OG1 : rot 158:sc= -0.462! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -79:sc= 1.24 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0.97) USER MOD Single : A 22 THR OG1 : rot -78:sc= 1.05 USER MOD Single : A 27 ASN : amide:sc= 1.13 K(o=1.1,f=-0.075) USER MOD Single : A 38 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -131:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.483 K(o=-0.48,f=-2.6) USER MOD Single : A 71 SER OG : rot 79:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0865) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0335) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.183 3.909 5.180 1.00 0.00 N ATOM 61 CA ALA A 5 6.338 4.828 4.062 1.00 0.00 C ATOM 62 C ALA A 5 5.266 4.588 3.012 1.00 0.00 C ATOM 63 O ALA A 5 5.246 5.235 1.959 1.00 0.00 O ATOM 64 CB ALA A 5 7.722 4.681 3.458 1.00 0.00 C ATOM 0 HA ALA A 5 6.223 5.847 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.829 5.372 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.475 4.906 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.858 3.659 3.104 1.00 0.00 H new ATOM 70 N LEU A 6 4.402 3.646 3.294 1.00 0.00 N ATOM 71 CA LEU A 6 3.320 3.306 2.420 1.00 0.00 C ATOM 72 C LEU A 6 2.020 3.223 3.179 1.00 0.00 C ATOM 73 O LEU A 6 1.954 2.676 4.293 1.00 0.00 O ATOM 74 CB LEU A 6 3.558 1.997 1.632 1.00 0.00 C ATOM 75 CG LEU A 6 3.987 0.754 2.412 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.655 -0.493 1.622 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.479 0.777 2.681 1.00 0.00 C ATOM 0 H LEU A 6 4.435 3.090 4.148 1.00 0.00 H new ATOM 0 HA LEU A 6 3.263 4.111 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.637 1.756 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.319 2.196 0.877 1.00 0.00 H new ATOM 0 HG LEU A 6 3.450 0.750 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.964 -1.374 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.581 -0.535 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.181 -0.470 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.762 -0.117 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.019 0.802 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.730 1.662 3.265 1.00 0.00 H new ATOM 89 N THR A 7 1.024 3.793 2.604 1.00 0.00 N ATOM 90 CA THR A 7 -0.295 3.780 3.128 1.00 0.00 C ATOM 91 C THR A 7 -1.131 2.858 2.247 1.00 0.00 C ATOM 92 O THR A 7 -1.168 3.033 1.028 1.00 0.00 O ATOM 93 CB THR A 7 -0.860 5.202 3.077 1.00 0.00 C ATOM 94 OG1 THR A 7 0.096 6.096 3.673 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.169 5.293 3.837 1.00 0.00 C ATOM 0 H THR A 7 1.107 4.300 1.723 1.00 0.00 H new ATOM 0 HA THR A 7 -0.308 3.429 4.160 1.00 0.00 H new ATOM 0 HB THR A 7 -1.047 5.473 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.252 7.012 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.549 6.313 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.895 4.612 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.004 5.019 4.879 1.00 0.00 H new ATOM 103 N ILE A 8 -1.762 1.882 2.839 1.00 0.00 N ATOM 104 CA ILE A 8 -2.528 0.914 2.088 1.00 0.00 C ATOM 105 C ILE A 8 -4.000 1.046 2.399 1.00 0.00 C ATOM 106 O ILE A 8 -4.400 1.180 3.553 1.00 0.00 O ATOM 107 CB ILE A 8 -2.055 -0.542 2.369 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.595 -0.716 1.944 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.953 -1.569 1.663 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.057 -2.104 2.167 1.00 0.00 C ATOM 0 H ILE A 8 -1.763 1.732 3.848 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.364 1.122 1.031 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.131 -0.721 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.502 -0.466 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.021 -0.005 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.595 -2.575 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.977 -1.463 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.925 -1.398 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.982 -2.148 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.116 -2.351 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.647 -2.819 1.594 1.00 0.00 H new ATOM 122 N TYR A 9 -4.787 1.029 1.379 1.00 0.00 N ATOM 123 CA TYR A 9 -6.206 1.104 1.506 1.00 0.00 C ATOM 124 C TYR A 9 -6.753 -0.299 1.731 1.00 0.00 C ATOM 125 O TYR A 9 -6.391 -1.221 1.010 1.00 0.00 O ATOM 126 CB TYR A 9 -6.785 1.783 0.260 1.00 0.00 C ATOM 127 CG TYR A 9 -6.276 3.200 0.101 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.889 4.257 0.750 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.154 3.470 -0.660 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.396 5.539 0.636 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.648 4.734 -0.768 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.269 5.764 -0.124 1.00 0.00 C ATOM 133 OH TYR A 9 -4.753 7.016 -0.220 1.00 0.00 O ATOM 0 H TYR A 9 -4.459 0.961 0.415 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.499 1.708 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.524 1.202 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.873 1.793 0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.766 4.075 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.665 2.661 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.888 6.359 1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.763 4.917 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.418 7.614 -0.619 1.00 0.00 H new ATOM 143 N THR A 10 -7.559 -0.472 2.773 1.00 0.00 N ATOM 144 CA THR A 10 -8.073 -1.779 3.133 1.00 0.00 C ATOM 145 C THR A 10 -9.546 -1.749 3.560 1.00 0.00 C ATOM 146 O THR A 10 -10.044 -0.751 4.090 1.00 0.00 O ATOM 147 CB THR A 10 -7.245 -2.389 4.282 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.036 -1.392 5.297 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.910 -2.932 3.792 1.00 0.00 C ATOM 0 H THR A 10 -7.869 0.284 3.383 1.00 0.00 H new ATOM 0 HA THR A 10 -7.993 -2.389 2.233 1.00 0.00 H new ATOM 0 HB THR A 10 -7.802 -3.229 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.833 -1.831 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.358 -3.353 4.632 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.084 -3.708 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.331 -2.124 3.345 1.00 0.00 H new ATOM 157 N THR A 11 -10.234 -2.826 3.271 1.00 0.00 N ATOM 158 CA THR A 11 -11.574 -3.088 3.736 1.00 0.00 C ATOM 159 C THR A 11 -11.675 -4.613 3.870 1.00 0.00 C ATOM 160 O THR A 11 -11.128 -5.343 3.022 1.00 0.00 O ATOM 161 CB THR A 11 -12.668 -2.528 2.755 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.453 -1.130 2.531 1.00 0.00 O ATOM 163 CG2 THR A 11 -14.037 -2.690 3.362 1.00 0.00 C ATOM 0 H THR A 11 -9.862 -3.572 2.683 1.00 0.00 H new ATOM 0 HA THR A 11 -11.759 -2.584 4.685 1.00 0.00 H new ATOM 0 HB THR A 11 -12.600 -3.080 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.137 -0.788 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.788 -2.299 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.230 -3.747 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.085 -2.141 4.303 1.00 0.00 H new ATOM 171 N SER A 12 -12.371 -5.102 4.877 1.00 0.00 N ATOM 172 CA SER A 12 -12.394 -6.533 5.182 1.00 0.00 C ATOM 173 C SER A 12 -13.177 -7.367 4.142 1.00 0.00 C ATOM 174 O SER A 12 -13.194 -8.603 4.195 1.00 0.00 O ATOM 175 CB SER A 12 -12.899 -6.758 6.610 1.00 0.00 C ATOM 176 OG SER A 12 -14.165 -6.136 6.825 1.00 0.00 O ATOM 0 H SER A 12 -12.935 -4.531 5.507 1.00 0.00 H new ATOM 0 HA SER A 12 -11.369 -6.897 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.981 -7.828 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.173 -6.361 7.320 1.00 0.00 H new ATOM 0 HG SER A 12 -14.037 -5.176 6.973 1.00 0.00 H new ATOM 182 N TRP A 13 -13.781 -6.672 3.193 1.00 0.00 N ATOM 183 CA TRP A 13 -14.534 -7.257 2.105 1.00 0.00 C ATOM 184 C TRP A 13 -13.661 -8.102 1.224 1.00 0.00 C ATOM 185 O TRP A 13 -14.031 -9.171 0.763 1.00 0.00 O ATOM 186 CB TRP A 13 -15.001 -6.157 1.231 1.00 0.00 C ATOM 187 CG TRP A 13 -16.054 -5.319 1.805 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.684 -4.380 1.137 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.652 -5.330 3.154 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.568 -3.783 1.918 1.00 0.00 N ATOM 191 CE2 TRP A 13 -17.592 -4.327 3.149 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.475 -6.068 4.342 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -18.374 -4.009 4.257 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.246 -5.762 5.440 1.00 0.00 C ATOM 195 CH2 TRP A 13 -18.184 -4.738 5.389 1.00 0.00 C ATOM 0 H TRP A 13 -13.758 -5.653 3.161 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.337 -7.853 2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.149 -5.524 0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.366 -6.584 0.297 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.506 -4.132 0.101 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -18.159 -3.006 1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.745 -6.862 4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -19.104 -3.214 4.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.120 -6.325 6.353 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -18.774 -4.517 6.266 1.00 0.00 H new ATOM 206 N CYS A 14 -12.483 -7.596 1.025 1.00 0.00 N ATOM 207 CA CYS A 14 -11.561 -8.095 0.067 1.00 0.00 C ATOM 208 C CYS A 14 -10.582 -9.096 0.659 1.00 0.00 C ATOM 209 O CYS A 14 -10.002 -8.862 1.734 1.00 0.00 O ATOM 210 CB CYS A 14 -10.844 -6.901 -0.525 1.00 0.00 C ATOM 211 SG CYS A 14 -9.451 -7.270 -1.596 1.00 0.00 S ATOM 0 H CYS A 14 -12.130 -6.795 1.548 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.098 -8.647 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.566 -6.313 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.492 -6.272 0.292 1.00 0.00 H new ATOM 216 N GLY A 15 -10.418 -10.211 -0.036 1.00 0.00 N ATOM 217 CA GLY A 15 -9.489 -11.234 0.383 1.00 0.00 C ATOM 218 C GLY A 15 -8.121 -11.058 -0.255 1.00 0.00 C ATOM 219 O GLY A 15 -7.094 -11.297 0.384 1.00 0.00 O ATOM 0 H GLY A 15 -10.922 -10.426 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.389 -11.210 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.887 -12.214 0.122 1.00 0.00 H new ATOM 223 N TYR A 16 -8.096 -10.604 -1.510 1.00 0.00 N ATOM 224 CA TYR A 16 -6.833 -10.396 -2.242 1.00 0.00 C ATOM 225 C TYR A 16 -5.984 -9.327 -1.565 1.00 0.00 C ATOM 226 O TYR A 16 -4.756 -9.425 -1.502 1.00 0.00 O ATOM 227 CB TYR A 16 -7.103 -10.015 -3.707 1.00 0.00 C ATOM 228 CG TYR A 16 -5.852 -9.711 -4.513 1.00 0.00 C ATOM 229 CD1 TYR A 16 -4.977 -10.722 -4.864 1.00 0.00 C ATOM 230 CD2 TYR A 16 -5.557 -8.414 -4.928 1.00 0.00 C ATOM 231 CE1 TYR A 16 -3.842 -10.461 -5.600 1.00 0.00 C ATOM 232 CE2 TYR A 16 -4.416 -8.146 -5.665 1.00 0.00 C ATOM 233 CZ TYR A 16 -3.565 -9.177 -5.997 1.00 0.00 C ATOM 234 OH TYR A 16 -2.429 -8.928 -6.744 1.00 0.00 O ATOM 0 H TYR A 16 -8.933 -10.372 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.281 -11.336 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.643 -10.830 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.757 -9.143 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.187 -11.735 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.227 -7.607 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.172 -11.265 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.195 -7.136 -5.977 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.374 -7.971 -6.947 1.00 0.00 H new ATOM 244 N CYS A 17 -6.652 -8.336 -1.044 1.00 0.00 N ATOM 245 CA CYS A 17 -6.038 -7.250 -0.324 1.00 0.00 C ATOM 246 C CYS A 17 -5.223 -7.790 0.858 1.00 0.00 C ATOM 247 O CYS A 17 -4.083 -7.391 1.082 1.00 0.00 O ATOM 248 CB CYS A 17 -7.138 -6.349 0.185 1.00 0.00 C ATOM 249 SG CYS A 17 -8.201 -5.747 -1.155 1.00 0.00 S ATOM 0 H CYS A 17 -7.667 -8.257 -1.109 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.364 -6.700 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.743 -6.891 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.698 -5.500 0.707 1.00 0.00 H new ATOM 254 N LEU A 18 -5.805 -8.772 1.547 1.00 0.00 N ATOM 255 CA LEU A 18 -5.208 -9.395 2.713 1.00 0.00 C ATOM 256 C LEU A 18 -4.031 -10.283 2.294 1.00 0.00 C ATOM 257 O LEU A 18 -3.048 -10.426 3.032 1.00 0.00 O ATOM 258 CB LEU A 18 -6.303 -10.190 3.468 1.00 0.00 C ATOM 259 CG LEU A 18 -5.942 -10.837 4.827 1.00 0.00 C ATOM 260 CD1 LEU A 18 -7.206 -11.055 5.623 1.00 0.00 C ATOM 261 CD2 LEU A 18 -5.244 -12.185 4.643 1.00 0.00 C ATOM 0 H LEU A 18 -6.717 -9.157 1.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.808 -8.638 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.145 -9.518 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.653 -10.982 2.806 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.262 -10.164 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.958 -11.511 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.699 -10.098 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.875 -11.714 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.006 -12.608 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.903 -12.865 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.324 -12.044 4.075 1.00 0.00 H new ATOM 273 N ARG A 19 -4.121 -10.830 1.096 1.00 0.00 N ATOM 274 CA ARG A 19 -3.100 -11.710 0.547 1.00 0.00 C ATOM 275 C ARG A 19 -1.784 -10.952 0.391 1.00 0.00 C ATOM 276 O ARG A 19 -0.723 -11.426 0.815 1.00 0.00 O ATOM 277 CB ARG A 19 -3.564 -12.255 -0.805 1.00 0.00 C ATOM 278 CG ARG A 19 -2.670 -13.324 -1.409 1.00 0.00 C ATOM 279 CD ARG A 19 -2.587 -14.543 -0.505 1.00 0.00 C ATOM 280 NE ARG A 19 -3.917 -15.041 -0.151 1.00 0.00 N ATOM 281 CZ ARG A 19 -4.345 -16.287 -0.289 1.00 0.00 C ATOM 282 NH1 ARG A 19 -3.546 -17.226 -0.788 1.00 0.00 N ATOM 283 NH2 ARG A 19 -5.584 -16.587 0.078 1.00 0.00 N ATOM 0 H ARG A 19 -4.911 -10.676 0.469 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.940 -12.545 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.567 -12.665 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.638 -11.425 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.057 -13.617 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.671 -12.919 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.024 -15.331 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.040 -14.288 0.402 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.575 -14.366 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.594 -16.990 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.885 -18.183 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.192 -15.863 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.928 -17.542 -0.022 1.00 0.00 H new ATOM 297 N LEU A 20 -1.871 -9.771 -0.180 1.00 0.00 N ATOM 298 CA LEU A 20 -0.701 -8.926 -0.364 1.00 0.00 C ATOM 299 C LEU A 20 -0.271 -8.329 0.976 1.00 0.00 C ATOM 300 O LEU A 20 0.912 -8.238 1.282 1.00 0.00 O ATOM 301 CB LEU A 20 -0.999 -7.807 -1.377 1.00 0.00 C ATOM 302 CG LEU A 20 0.063 -6.687 -1.556 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.329 -7.157 -2.278 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.541 -5.489 -2.251 1.00 0.00 C ATOM 0 H LEU A 20 -2.741 -9.369 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 20 0.113 -9.536 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.163 -8.271 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.938 -7.335 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 20 0.378 -6.398 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.027 -6.324 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.795 -7.961 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.067 -7.521 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.218 -4.715 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.910 -5.786 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.367 -5.101 -1.655 1.00 0.00 H new ATOM 316 N LYS A 21 -1.261 -7.958 1.769 1.00 0.00 N ATOM 317 CA LYS A 21 -1.072 -7.348 3.082 1.00 0.00 C ATOM 318 C LYS A 21 -0.189 -8.245 3.977 1.00 0.00 C ATOM 319 O LYS A 21 0.789 -7.784 4.595 1.00 0.00 O ATOM 320 CB LYS A 21 -2.453 -7.156 3.710 1.00 0.00 C ATOM 321 CG LYS A 21 -2.499 -6.308 4.947 1.00 0.00 C ATOM 322 CD LYS A 21 -3.913 -6.202 5.477 1.00 0.00 C ATOM 323 CE LYS A 21 -3.975 -5.293 6.686 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.332 -5.216 7.255 1.00 0.00 N ATOM 0 H LYS A 21 -2.242 -8.073 1.516 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.565 -6.388 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.111 -6.712 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.861 -8.138 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.851 -6.737 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.114 -5.313 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.570 -5.819 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.280 -7.193 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.284 -5.655 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.644 -4.294 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.297 -4.725 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.952 -4.692 6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.706 -6.177 7.392 1.00 0.00 H new ATOM 338 N THR A 22 -0.514 -9.525 4.007 1.00 0.00 N ATOM 339 CA THR A 22 0.235 -10.487 4.789 1.00 0.00 C ATOM 340 C THR A 22 1.626 -10.732 4.198 1.00 0.00 C ATOM 341 O THR A 22 2.597 -10.888 4.938 1.00 0.00 O ATOM 342 CB THR A 22 -0.543 -11.807 4.951 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.086 -12.211 3.684 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.665 -11.652 5.960 1.00 0.00 C ATOM 0 H THR A 22 -1.300 -9.923 3.493 1.00 0.00 H new ATOM 0 HA THR A 22 0.372 -10.060 5.783 1.00 0.00 H new ATOM 0 HB THR A 22 0.146 -12.570 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.887 -11.681 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.200 -12.597 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.248 -11.370 6.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.354 -10.878 5.622 1.00 0.00 H new ATOM 352 N ALA A 23 1.721 -10.700 2.869 1.00 0.00 N ATOM 353 CA ALA A 23 2.997 -10.854 2.166 1.00 0.00 C ATOM 354 C ALA A 23 3.938 -9.741 2.558 1.00 0.00 C ATOM 355 O ALA A 23 5.100 -9.983 2.873 1.00 0.00 O ATOM 356 CB ALA A 23 2.781 -10.864 0.659 1.00 0.00 C ATOM 0 H ALA A 23 0.921 -10.567 2.251 1.00 0.00 H new ATOM 0 HA ALA A 23 3.441 -11.808 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.740 -10.979 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.128 -11.694 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.320 -9.926 0.351 1.00 0.00 H new ATOM 362 N LEU A 24 3.426 -8.533 2.586 1.00 0.00 N ATOM 363 CA LEU A 24 4.206 -7.377 2.979 1.00 0.00 C ATOM 364 C LEU A 24 4.645 -7.501 4.433 1.00 0.00 C ATOM 365 O LEU A 24 5.784 -7.207 4.769 1.00 0.00 O ATOM 366 CB LEU A 24 3.408 -6.097 2.758 1.00 0.00 C ATOM 367 CG LEU A 24 2.953 -5.841 1.322 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.151 -4.572 1.236 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.133 -5.784 0.370 1.00 0.00 C ATOM 0 H LEU A 24 2.460 -8.321 2.338 1.00 0.00 H new ATOM 0 HA LEU A 24 5.100 -7.331 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.527 -6.124 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.014 -5.252 3.084 1.00 0.00 H new ATOM 0 HG LEU A 24 2.319 -6.676 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.837 -4.409 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.271 -4.654 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.762 -3.732 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.775 -5.601 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.803 -4.978 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.670 -6.732 0.399 1.00 0.00 H new ATOM 381 N THR A 25 3.757 -8.006 5.269 1.00 0.00 N ATOM 382 CA THR A 25 4.047 -8.201 6.679 1.00 0.00 C ATOM 383 C THR A 25 5.163 -9.256 6.854 1.00 0.00 C ATOM 384 O THR A 25 6.116 -9.051 7.609 1.00 0.00 O ATOM 385 CB THR A 25 2.775 -8.638 7.438 1.00 0.00 C ATOM 386 OG1 THR A 25 1.721 -7.698 7.166 1.00 0.00 O ATOM 387 CG2 THR A 25 3.018 -8.670 8.939 1.00 0.00 C ATOM 0 H THR A 25 2.818 -8.292 4.992 1.00 0.00 H new ATOM 0 HA THR A 25 4.390 -7.254 7.096 1.00 0.00 H new ATOM 0 HB THR A 25 2.501 -9.639 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.385 -7.838 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.106 -8.981 9.449 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.818 -9.376 9.163 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.305 -7.676 9.282 1.00 0.00 H new ATOM 395 N ALA A 26 5.067 -10.345 6.097 1.00 0.00 N ATOM 396 CA ALA A 26 6.066 -11.415 6.131 1.00 0.00 C ATOM 397 C ALA A 26 7.409 -10.924 5.595 1.00 0.00 C ATOM 398 O ALA A 26 8.461 -11.468 5.917 1.00 0.00 O ATOM 399 CB ALA A 26 5.582 -12.612 5.324 1.00 0.00 C ATOM 0 H ALA A 26 4.300 -10.513 5.445 1.00 0.00 H new ATOM 0 HA ALA A 26 6.204 -11.720 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.333 -13.401 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.648 -12.982 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.417 -12.311 4.289 1.00 0.00 H new ATOM 405 N ASN A 27 7.354 -9.889 4.801 1.00 0.00 N ATOM 406 CA ASN A 27 8.532 -9.285 4.198 1.00 0.00 C ATOM 407 C ASN A 27 9.034 -8.102 5.023 1.00 0.00 C ATOM 408 O ASN A 27 9.873 -7.318 4.568 1.00 0.00 O ATOM 409 CB ASN A 27 8.229 -8.868 2.753 1.00 0.00 C ATOM 410 CG ASN A 27 8.387 -10.008 1.766 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.471 -10.232 1.226 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.321 -10.717 1.499 1.00 0.00 N ATOM 0 H ASN A 27 6.481 -9.428 4.545 1.00 0.00 H new ATOM 0 HA ASN A 27 9.330 -10.027 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.211 -8.484 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.894 -8.052 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.372 -11.482 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.438 -10.505 1.964 1.00 0.00 H new ATOM 419 N ARG A 28 8.485 -7.973 6.238 1.00 0.00 N ATOM 420 CA ARG A 28 8.879 -6.960 7.239 1.00 0.00 C ATOM 421 C ARG A 28 8.535 -5.532 6.749 1.00 0.00 C ATOM 422 O ARG A 28 9.014 -4.537 7.288 1.00 0.00 O ATOM 423 CB ARG A 28 10.391 -7.064 7.549 1.00 0.00 C ATOM 424 CG ARG A 28 10.845 -6.319 8.802 1.00 0.00 C ATOM 425 CD ARG A 28 12.314 -5.984 8.725 1.00 0.00 C ATOM 426 NE ARG A 28 12.547 -5.005 7.659 1.00 0.00 N ATOM 427 CZ ARG A 28 13.717 -4.688 7.110 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.844 -5.231 7.540 1.00 0.00 N ATOM 429 NH2 ARG A 28 13.737 -3.799 6.138 1.00 0.00 N ATOM 0 H ARG A 28 7.736 -8.583 6.565 1.00 0.00 H new ATOM 0 HA ARG A 28 8.317 -7.155 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.653 -8.117 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.949 -6.681 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.264 -5.404 8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.653 -6.931 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.655 -5.583 9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.893 -6.888 8.534 1.00 0.00 H new ATOM 0 HE ARG A 28 11.727 -4.516 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.826 -5.905 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.731 -4.975 7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.868 -3.370 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.622 -3.540 5.702 1.00 0.00 H new ATOM 443 N ILE A 29 7.698 -5.435 5.752 1.00 0.00 N ATOM 444 CA ILE A 29 7.330 -4.155 5.209 1.00 0.00 C ATOM 445 C ILE A 29 6.293 -3.505 6.114 1.00 0.00 C ATOM 446 O ILE A 29 5.249 -4.102 6.416 1.00 0.00 O ATOM 447 CB ILE A 29 6.813 -4.273 3.740 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.940 -4.826 2.834 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.320 -2.917 3.229 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.545 -5.046 1.390 1.00 0.00 C ATOM 0 H ILE A 29 7.255 -6.233 5.296 1.00 0.00 H new ATOM 0 HA ILE A 29 8.217 -3.523 5.172 1.00 0.00 H new ATOM 0 HB ILE A 29 5.970 -4.964 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.783 -4.135 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.289 -5.772 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.964 -3.022 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.505 -2.564 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.139 -2.198 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.399 -5.434 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.725 -5.762 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.227 -4.100 0.952 1.00 0.00 H new ATOM 462 N ALA A 30 6.610 -2.323 6.591 1.00 0.00 N ATOM 463 CA ALA A 30 5.747 -1.599 7.477 1.00 0.00 C ATOM 464 C ALA A 30 4.858 -0.668 6.682 1.00 0.00 C ATOM 465 O ALA A 30 5.330 0.103 5.846 1.00 0.00 O ATOM 466 CB ALA A 30 6.561 -0.834 8.500 1.00 0.00 C ATOM 0 H ALA A 30 7.481 -1.840 6.370 1.00 0.00 H new ATOM 0 HA ALA A 30 5.114 -2.305 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.891 -0.290 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.162 -1.532 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.217 -0.129 7.989 1.00 0.00 H new ATOM 472 N TYR A 31 3.589 -0.737 6.945 1.00 0.00 N ATOM 473 CA TYR A 31 2.603 0.017 6.218 1.00 0.00 C ATOM 474 C TYR A 31 1.521 0.473 7.162 1.00 0.00 C ATOM 475 O TYR A 31 1.374 -0.079 8.269 1.00 0.00 O ATOM 476 CB TYR A 31 1.989 -0.852 5.094 1.00 0.00 C ATOM 477 CG TYR A 31 1.386 -2.166 5.579 1.00 0.00 C ATOM 478 CD1 TYR A 31 2.161 -3.315 5.647 1.00 0.00 C ATOM 479 CD2 TYR A 31 0.053 -2.250 5.982 1.00 0.00 C ATOM 480 CE1 TYR A 31 1.640 -4.500 6.104 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.475 -3.441 6.439 1.00 0.00 C ATOM 482 CZ TYR A 31 0.323 -4.560 6.497 1.00 0.00 C ATOM 483 OH TYR A 31 -0.190 -5.742 6.968 1.00 0.00 O ATOM 0 H TYR A 31 3.199 -1.326 7.681 1.00 0.00 H new ATOM 0 HA TYR A 31 3.080 0.887 5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.216 -0.276 4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.761 -1.070 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.194 -3.276 5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.574 -1.372 5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.262 -5.382 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.508 -3.494 6.749 1.00 0.00 H new ATOM 0 HH TYR A 31 0.542 -6.372 7.137 1.00 0.00 H new ATOM 493 N ASP A 32 0.781 1.455 6.757 1.00 0.00 N ATOM 494 CA ASP A 32 -0.332 1.919 7.543 1.00 0.00 C ATOM 495 C ASP A 32 -1.587 1.758 6.722 1.00 0.00 C ATOM 496 O ASP A 32 -1.642 2.229 5.585 1.00 0.00 O ATOM 497 CB ASP A 32 -0.140 3.378 7.964 1.00 0.00 C ATOM 498 CG ASP A 32 -1.216 3.838 8.917 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.175 3.449 10.110 1.00 0.00 O ATOM 500 OD2 ASP A 32 -2.127 4.579 8.508 1.00 0.00 O ATOM 0 H ASP A 32 0.924 1.958 5.881 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.407 1.331 8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.836 3.494 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.144 4.014 7.079 1.00 0.00 H new ATOM 505 N GLU A 33 -2.558 1.048 7.246 1.00 0.00 N ATOM 506 CA GLU A 33 -3.779 0.818 6.522 1.00 0.00 C ATOM 507 C GLU A 33 -4.796 1.898 6.869 1.00 0.00 C ATOM 508 O GLU A 33 -4.835 2.397 8.009 1.00 0.00 O ATOM 509 CB GLU A 33 -4.347 -0.583 6.785 1.00 0.00 C ATOM 510 CG GLU A 33 -4.798 -0.858 8.206 1.00 0.00 C ATOM 511 CD GLU A 33 -5.483 -2.191 8.319 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.617 -2.338 7.809 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.906 -3.134 8.897 1.00 0.00 O ATOM 0 H GLU A 33 -2.523 0.621 8.172 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.556 0.870 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.195 -0.742 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.588 -1.318 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.937 -0.833 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.477 -0.070 8.532 1.00 0.00 H new ATOM 520 N VAL A 34 -5.597 2.258 5.911 1.00 0.00 N ATOM 521 CA VAL A 34 -6.545 3.333 6.078 1.00 0.00 C ATOM 522 C VAL A 34 -7.854 2.818 6.715 1.00 0.00 C ATOM 523 O VAL A 34 -8.186 1.643 6.614 1.00 0.00 O ATOM 524 CB VAL A 34 -6.830 4.042 4.718 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.553 5.357 4.909 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.549 4.260 3.946 1.00 0.00 C ATOM 0 H VAL A 34 -5.616 1.819 4.990 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.106 4.067 6.754 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.481 3.383 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.732 5.818 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.506 5.179 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.943 6.022 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.773 4.756 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.873 4.883 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.076 3.298 3.748 1.00 0.00 H new ATOM 536 N ASP A 35 -8.562 3.728 7.345 1.00 0.00 N ATOM 537 CA ASP A 35 -9.812 3.516 8.108 1.00 0.00 C ATOM 538 C ASP A 35 -11.066 3.483 7.235 1.00 0.00 C ATOM 539 O ASP A 35 -12.162 3.360 7.762 1.00 0.00 O ATOM 540 CB ASP A 35 -9.989 4.579 9.196 1.00 0.00 C ATOM 541 CG ASP A 35 -8.894 4.565 10.225 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.886 5.255 10.033 1.00 0.00 O ATOM 543 OD2 ASP A 35 -9.026 3.886 11.253 1.00 0.00 O ATOM 0 H ASP A 35 -8.277 4.707 7.350 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.702 2.531 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.027 5.563 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.947 4.424 9.693 1.00 0.00 H new ATOM 548 N ILE A 36 -10.895 3.639 5.914 1.00 0.00 N ATOM 549 CA ILE A 36 -12.004 3.882 4.922 1.00 0.00 C ATOM 550 C ILE A 36 -13.276 3.029 5.108 1.00 0.00 C ATOM 551 O ILE A 36 -14.370 3.502 4.790 1.00 0.00 O ATOM 552 CB ILE A 36 -11.544 3.637 3.463 1.00 0.00 C ATOM 553 CG1 ILE A 36 -11.070 2.197 3.275 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.453 4.598 3.074 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.869 1.804 1.835 1.00 0.00 C ATOM 0 H ILE A 36 -9.974 3.603 5.477 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.253 4.925 5.117 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.402 3.807 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.132 2.060 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.798 1.523 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.148 4.405 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.822 5.620 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.598 4.466 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.532 0.769 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.810 1.907 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.119 2.452 1.382 1.00 0.00 H new ATOM 567 N GLU A 37 -13.146 1.821 5.634 1.00 0.00 N ATOM 568 CA GLU A 37 -14.287 0.934 5.837 1.00 0.00 C ATOM 569 C GLU A 37 -15.290 1.576 6.793 1.00 0.00 C ATOM 570 O GLU A 37 -16.505 1.422 6.651 1.00 0.00 O ATOM 571 CB GLU A 37 -13.813 -0.384 6.413 1.00 0.00 C ATOM 572 CG GLU A 37 -14.902 -1.422 6.580 1.00 0.00 C ATOM 573 CD GLU A 37 -14.370 -2.689 7.162 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.341 -2.814 8.392 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.938 -3.575 6.413 1.00 0.00 O ATOM 0 H GLU A 37 -12.253 1.427 5.931 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.772 0.759 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.036 -0.791 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.354 -0.198 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.687 -1.026 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.359 -1.629 5.612 1.00 0.00 H new ATOM 582 N HIS A 38 -14.761 2.316 7.726 1.00 0.00 N ATOM 583 CA HIS A 38 -15.529 2.995 8.739 1.00 0.00 C ATOM 584 C HIS A 38 -15.225 4.489 8.711 1.00 0.00 C ATOM 585 O HIS A 38 -15.426 5.208 9.692 1.00 0.00 O ATOM 586 CB HIS A 38 -15.275 2.360 10.138 1.00 0.00 C ATOM 587 CG HIS A 38 -13.826 2.103 10.485 1.00 0.00 C ATOM 588 ND1 HIS A 38 -13.059 2.908 11.297 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.020 1.070 10.123 1.00 0.00 C ATOM 590 CE1 HIS A 38 -11.848 2.358 11.401 1.00 0.00 C ATOM 591 NE2 HIS A 38 -11.773 1.233 10.703 1.00 0.00 N ATOM 0 H HIS A 38 -13.756 2.470 7.808 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.592 2.875 8.529 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.701 3.015 10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.816 1.415 10.192 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.307 0.249 9.482 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.035 2.774 11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.966 0.616 10.612 1.00 0.00 H new ATOM 599 N ASN A 39 -14.775 4.954 7.560 1.00 0.00 N ATOM 600 CA ASN A 39 -14.471 6.364 7.356 1.00 0.00 C ATOM 601 C ASN A 39 -14.720 6.749 5.919 1.00 0.00 C ATOM 602 O ASN A 39 -13.889 6.482 5.042 1.00 0.00 O ATOM 603 CB ASN A 39 -13.017 6.679 7.672 1.00 0.00 C ATOM 604 CG ASN A 39 -12.691 8.153 7.475 1.00 0.00 C ATOM 605 OD1 ASN A 39 -13.503 9.025 7.763 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.595 8.423 6.834 1.00 0.00 N ATOM 0 H ASN A 39 -14.609 4.369 6.741 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.119 6.926 8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.801 6.396 8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.370 6.077 7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.390 9.383 6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.939 7.675 6.609 1.00 0.00 H new ATOM 613 N ARG A 40 -15.834 7.374 5.669 1.00 0.00 N ATOM 614 CA ARG A 40 -16.182 7.804 4.326 1.00 0.00 C ATOM 615 C ARG A 40 -15.267 8.918 3.810 1.00 0.00 C ATOM 616 O ARG A 40 -15.157 9.118 2.599 1.00 0.00 O ATOM 617 CB ARG A 40 -17.634 8.259 4.246 1.00 0.00 C ATOM 618 CG ARG A 40 -17.986 9.377 5.205 1.00 0.00 C ATOM 619 CD ARG A 40 -19.393 9.863 4.984 1.00 0.00 C ATOM 620 NE ARG A 40 -19.566 10.407 3.629 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.633 10.211 2.845 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.652 9.479 3.274 1.00 0.00 N ATOM 623 NH2 ARG A 40 -20.675 10.752 1.636 1.00 0.00 N ATOM 0 H ARG A 40 -16.530 7.604 6.379 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.044 6.932 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.845 8.588 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.282 7.406 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.877 9.027 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.288 10.204 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.092 9.041 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.634 10.631 5.719 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.810 10.981 3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.625 9.063 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.463 9.332 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.894 11.318 1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.488 10.603 1.038 1.00 0.00 H new ATOM 637 N ALA A 41 -14.602 9.637 4.712 1.00 0.00 N ATOM 638 CA ALA A 41 -13.771 10.752 4.291 1.00 0.00 C ATOM 639 C ALA A 41 -12.560 10.307 3.480 1.00 0.00 C ATOM 640 O ALA A 41 -12.269 10.874 2.420 1.00 0.00 O ATOM 641 CB ALA A 41 -13.433 11.697 5.436 1.00 0.00 C ATOM 0 H ALA A 41 -14.623 9.469 5.718 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.372 11.345 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.811 12.511 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.353 12.105 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.893 11.152 6.210 1.00 0.00 H new ATOM 647 N ALA A 42 -11.913 9.260 3.924 1.00 0.00 N ATOM 648 CA ALA A 42 -10.781 8.730 3.191 1.00 0.00 C ATOM 649 C ALA A 42 -11.265 7.788 2.100 1.00 0.00 C ATOM 650 O ALA A 42 -10.557 7.519 1.137 1.00 0.00 O ATOM 651 CB ALA A 42 -9.801 8.037 4.111 1.00 0.00 C ATOM 0 H ALA A 42 -12.144 8.758 4.781 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.253 9.563 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.965 7.652 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.431 8.747 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.300 7.212 4.619 1.00 0.00 H new ATOM 657 N ALA A 43 -12.485 7.285 2.261 1.00 0.00 N ATOM 658 CA ALA A 43 -13.090 6.397 1.275 1.00 0.00 C ATOM 659 C ALA A 43 -13.289 7.133 -0.042 1.00 0.00 C ATOM 660 O ALA A 43 -13.070 6.576 -1.119 1.00 0.00 O ATOM 661 CB ALA A 43 -14.398 5.839 1.795 1.00 0.00 C ATOM 0 H ALA A 43 -13.076 7.479 3.069 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.418 5.558 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.835 5.179 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.215 5.278 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.086 6.658 2.002 1.00 0.00 H new ATOM 667 N GLU A 44 -13.668 8.407 0.073 1.00 0.00 N ATOM 668 CA GLU A 44 -13.809 9.316 -1.066 1.00 0.00 C ATOM 669 C GLU A 44 -12.470 9.408 -1.813 1.00 0.00 C ATOM 670 O GLU A 44 -12.409 9.381 -3.048 1.00 0.00 O ATOM 671 CB GLU A 44 -14.182 10.714 -0.535 1.00 0.00 C ATOM 672 CG GLU A 44 -14.406 11.782 -1.600 1.00 0.00 C ATOM 673 CD GLU A 44 -15.634 11.527 -2.435 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.748 11.876 -1.982 1.00 0.00 O ATOM 675 OE2 GLU A 44 -15.524 10.988 -3.531 1.00 0.00 O ATOM 0 H GLU A 44 -13.888 8.841 0.969 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.581 8.948 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.089 10.626 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.391 11.053 0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.496 12.756 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.533 11.828 -2.251 1.00 0.00 H new ATOM 682 N PHE A 45 -11.403 9.445 -1.039 1.00 0.00 N ATOM 683 CA PHE A 45 -10.063 9.617 -1.554 1.00 0.00 C ATOM 684 C PHE A 45 -9.612 8.376 -2.346 1.00 0.00 C ATOM 685 O PHE A 45 -8.849 8.489 -3.299 1.00 0.00 O ATOM 686 CB PHE A 45 -9.107 9.937 -0.398 1.00 0.00 C ATOM 687 CG PHE A 45 -7.723 10.332 -0.811 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.448 11.620 -1.228 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.696 9.424 -0.766 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.169 11.985 -1.594 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.422 9.785 -1.133 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.156 11.061 -1.546 1.00 0.00 C ATOM 0 H PHE A 45 -11.445 9.355 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.051 10.455 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.537 10.744 0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.041 9.064 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.243 12.349 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.891 8.414 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.966 12.995 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.626 9.056 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.153 11.340 -1.833 1.00 0.00 H new ATOM 702 N VAL A 46 -10.133 7.206 -1.979 1.00 0.00 N ATOM 703 CA VAL A 46 -9.830 5.958 -2.698 1.00 0.00 C ATOM 704 C VAL A 46 -10.348 6.066 -4.127 1.00 0.00 C ATOM 705 O VAL A 46 -9.647 5.744 -5.092 1.00 0.00 O ATOM 706 CB VAL A 46 -10.487 4.724 -2.024 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.126 3.434 -2.757 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.071 4.633 -0.581 1.00 0.00 C ATOM 0 H VAL A 46 -10.767 7.091 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.749 5.820 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.568 4.851 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.601 2.588 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.474 3.492 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.044 3.300 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.540 3.763 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.987 4.536 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.385 5.534 -0.054 1.00 0.00 H new ATOM 718 N GLY A 47 -11.552 6.590 -4.251 1.00 0.00 N ATOM 719 CA GLY A 47 -12.147 6.777 -5.552 1.00 0.00 C ATOM 720 C GLY A 47 -11.479 7.905 -6.310 1.00 0.00 C ATOM 721 O GLY A 47 -11.605 8.011 -7.520 1.00 0.00 O ATOM 0 H GLY A 47 -12.132 6.891 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.067 5.854 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.210 6.992 -5.440 1.00 0.00 H new ATOM 725 N SER A 48 -10.784 8.756 -5.588 1.00 0.00 N ATOM 726 CA SER A 48 -10.094 9.858 -6.184 1.00 0.00 C ATOM 727 C SER A 48 -8.727 9.400 -6.741 1.00 0.00 C ATOM 728 O SER A 48 -8.227 9.961 -7.733 1.00 0.00 O ATOM 729 CB SER A 48 -9.947 11.009 -5.171 1.00 0.00 C ATOM 730 OG SER A 48 -9.471 12.193 -5.791 1.00 0.00 O ATOM 0 H SER A 48 -10.687 8.696 -4.574 1.00 0.00 H new ATOM 0 HA SER A 48 -10.679 10.234 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.910 11.206 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.260 10.711 -4.378 1.00 0.00 H new ATOM 0 HG SER A 48 -9.391 12.904 -5.121 1.00 0.00 H new ATOM 736 N VAL A 49 -8.117 8.388 -6.115 1.00 0.00 N ATOM 737 CA VAL A 49 -6.841 7.873 -6.608 1.00 0.00 C ATOM 738 C VAL A 49 -7.055 6.898 -7.761 1.00 0.00 C ATOM 739 O VAL A 49 -6.275 6.875 -8.723 1.00 0.00 O ATOM 740 CB VAL A 49 -5.909 7.277 -5.502 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.525 8.349 -4.498 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.538 6.090 -4.791 1.00 0.00 C ATOM 0 H VAL A 49 -8.478 7.920 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.298 8.741 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.011 6.914 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.877 7.918 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.998 9.154 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.425 8.746 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.851 5.714 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.468 6.402 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.748 5.302 -5.514 1.00 0.00 H new ATOM 752 N ASN A 50 -8.106 6.107 -7.681 1.00 0.00 N ATOM 753 CA ASN A 50 -8.489 5.275 -8.794 1.00 0.00 C ATOM 754 C ASN A 50 -9.883 5.661 -9.244 1.00 0.00 C ATOM 755 O ASN A 50 -10.889 5.138 -8.785 1.00 0.00 O ATOM 756 CB ASN A 50 -8.259 3.737 -8.580 1.00 0.00 C ATOM 757 CG ASN A 50 -8.995 3.087 -7.412 1.00 0.00 C ATOM 758 OD1 ASN A 50 -10.097 2.572 -7.560 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.364 3.041 -6.265 1.00 0.00 N ATOM 0 H ASN A 50 -8.705 6.026 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.804 5.474 -9.618 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.549 3.220 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.191 3.569 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.789 2.568 -5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.447 3.478 -6.169 1.00 0.00 H new ATOM 766 N GLY A 51 -9.894 6.652 -10.125 1.00 0.00 N ATOM 767 CA GLY A 51 -11.093 7.335 -10.570 1.00 0.00 C ATOM 768 C GLY A 51 -12.224 6.442 -11.013 1.00 0.00 C ATOM 769 O GLY A 51 -12.081 5.658 -11.956 1.00 0.00 O ATOM 0 H GLY A 51 -9.044 7.010 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.451 7.969 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.829 7.994 -11.397 1.00 0.00 H new ATOM 773 N GLY A 52 -13.332 6.547 -10.316 1.00 0.00 N ATOM 774 CA GLY A 52 -14.522 5.832 -10.690 1.00 0.00 C ATOM 775 C GLY A 52 -14.742 4.552 -9.917 1.00 0.00 C ATOM 776 O GLY A 52 -15.869 4.045 -9.862 1.00 0.00 O ATOM 0 H GLY A 52 -13.430 7.126 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.384 6.483 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.473 5.598 -11.753 1.00 0.00 H new ATOM 780 N ASN A 53 -13.707 4.010 -9.332 1.00 0.00 N ATOM 781 CA ASN A 53 -13.843 2.752 -8.620 1.00 0.00 C ATOM 782 C ASN A 53 -13.302 2.911 -7.210 1.00 0.00 C ATOM 783 O ASN A 53 -12.748 3.943 -6.868 1.00 0.00 O ATOM 784 CB ASN A 53 -13.073 1.629 -9.363 1.00 0.00 C ATOM 785 CG ASN A 53 -13.444 0.219 -8.889 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.582 -0.039 -8.499 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.500 -0.685 -8.881 1.00 0.00 N ATOM 0 H ASN A 53 -12.768 4.408 -9.329 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.897 2.477 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.271 1.709 -10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.002 1.780 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.699 -1.628 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.564 -0.448 -9.209 1.00 0.00 H new ATOM 794 N ARG A 54 -13.505 1.928 -6.387 1.00 0.00 N ATOM 795 CA ARG A 54 -12.861 1.882 -5.107 1.00 0.00 C ATOM 796 C ARG A 54 -12.074 0.599 -5.035 1.00 0.00 C ATOM 797 O ARG A 54 -12.491 -0.362 -4.381 1.00 0.00 O ATOM 798 CB ARG A 54 -13.838 1.966 -3.926 1.00 0.00 C ATOM 799 CG ARG A 54 -14.612 3.271 -3.800 1.00 0.00 C ATOM 800 CD ARG A 54 -15.578 3.198 -2.627 1.00 0.00 C ATOM 801 NE ARG A 54 -16.498 2.048 -2.765 1.00 0.00 N ATOM 802 CZ ARG A 54 -17.395 1.629 -1.854 1.00 0.00 C ATOM 803 NH1 ARG A 54 -17.551 2.282 -0.702 1.00 0.00 N ATOM 804 NH2 ARG A 54 -18.129 0.554 -2.111 1.00 0.00 N ATOM 0 H ARG A 54 -14.119 1.137 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.216 2.757 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.553 1.148 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.279 1.806 -3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.919 4.101 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.161 3.467 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.018 3.110 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.153 4.122 -2.567 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.447 1.521 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.987 3.109 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.234 1.955 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.010 0.054 -2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.812 0.227 -1.427 1.00 0.00 H new ATOM 818 N THR A 55 -11.009 0.537 -5.804 1.00 0.00 N ATOM 819 CA THR A 55 -10.159 -0.624 -5.811 1.00 0.00 C ATOM 820 C THR A 55 -9.399 -0.625 -4.501 1.00 0.00 C ATOM 821 O THR A 55 -8.714 0.370 -4.186 1.00 0.00 O ATOM 822 CB THR A 55 -9.165 -0.576 -6.984 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.855 -0.106 -8.170 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.645 -1.980 -7.256 1.00 0.00 C ATOM 0 H THR A 55 -10.714 1.283 -6.434 1.00 0.00 H new ATOM 0 HA THR A 55 -10.759 -1.526 -5.927 1.00 0.00 H new ATOM 0 HB THR A 55 -8.339 0.091 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.945 0.869 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.940 -1.952 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.143 -2.361 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.479 -2.634 -7.510 1.00 0.00 H new ATOM 832 N VAL A 56 -9.522 -1.696 -3.734 1.00 0.00 N ATOM 833 CA VAL A 56 -8.997 -1.683 -2.394 1.00 0.00 C ATOM 834 C VAL A 56 -7.531 -1.665 -2.291 1.00 0.00 C ATOM 835 O VAL A 56 -7.024 -0.662 -1.804 1.00 0.00 O ATOM 836 CB VAL A 56 -9.505 -2.760 -1.446 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.100 -2.406 -0.029 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.944 -2.872 -1.514 1.00 0.00 C ATOM 0 H VAL A 56 -9.973 -2.566 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.404 -0.725 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.068 -3.715 -1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.461 -3.174 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.014 -2.345 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.534 -1.444 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.281 -3.648 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.397 -1.920 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.241 -3.132 -2.530 1.00 0.00 H new ATOM 848 N PRO A 57 -6.752 -2.740 -2.718 1.00 0.00 N ATOM 849 CA PRO A 57 -5.400 -2.775 -2.345 1.00 0.00 C ATOM 850 C PRO A 57 -4.527 -1.816 -3.178 1.00 0.00 C ATOM 851 O PRO A 57 -3.779 -2.199 -4.106 1.00 0.00 O ATOM 852 CB PRO A 57 -4.979 -4.207 -2.487 1.00 0.00 C ATOM 853 CG PRO A 57 -5.751 -4.650 -3.680 1.00 0.00 C ATOM 854 CD PRO A 57 -7.086 -3.938 -3.569 1.00 0.00 C ATOM 0 HA PRO A 57 -5.268 -2.425 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.904 -4.301 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.227 -4.793 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.237 -4.384 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.880 -5.732 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.472 -3.646 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.843 -4.568 -3.102 1.00 0.00 H new ATOM 862 N THR A 58 -4.713 -0.618 -2.893 1.00 0.00 N ATOM 863 CA THR A 58 -4.075 0.444 -3.469 1.00 0.00 C ATOM 864 C THR A 58 -3.114 0.978 -2.433 1.00 0.00 C ATOM 865 O THR A 58 -3.462 1.104 -1.252 1.00 0.00 O ATOM 866 CB THR A 58 -5.160 1.477 -3.875 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.035 0.881 -4.862 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.573 2.747 -4.448 1.00 0.00 C ATOM 0 H THR A 58 -5.383 -0.331 -2.179 1.00 0.00 H new ATOM 0 HA THR A 58 -3.513 0.187 -4.367 1.00 0.00 H new ATOM 0 HB THR A 58 -5.706 1.745 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.925 0.750 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.378 3.432 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.927 3.216 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.990 2.509 -5.338 1.00 0.00 H new ATOM 876 N VAL A 59 -1.914 1.186 -2.832 1.00 0.00 N ATOM 877 CA VAL A 59 -0.909 1.650 -1.949 1.00 0.00 C ATOM 878 C VAL A 59 -0.447 3.028 -2.378 1.00 0.00 C ATOM 879 O VAL A 59 -0.279 3.296 -3.569 1.00 0.00 O ATOM 880 CB VAL A 59 0.289 0.650 -1.877 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.901 0.415 -3.233 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.333 1.112 -0.887 1.00 0.00 C ATOM 0 H VAL A 59 -1.598 1.038 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.331 1.718 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.109 -0.302 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.731 -0.286 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.149 0.001 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.267 1.360 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.153 0.394 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.714 2.087 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.886 1.188 0.104 1.00 0.00 H new ATOM 892 N LYS A 60 -0.333 3.894 -1.436 1.00 0.00 N ATOM 893 CA LYS A 60 0.181 5.204 -1.658 1.00 0.00 C ATOM 894 C LYS A 60 1.500 5.306 -0.941 1.00 0.00 C ATOM 895 O LYS A 60 1.565 5.118 0.274 1.00 0.00 O ATOM 896 CB LYS A 60 -0.785 6.265 -1.123 1.00 0.00 C ATOM 897 CG LYS A 60 -0.275 7.697 -1.282 1.00 0.00 C ATOM 898 CD LYS A 60 -1.238 8.723 -0.699 1.00 0.00 C ATOM 899 CE LYS A 60 -1.460 8.517 0.799 1.00 0.00 C ATOM 900 NZ LYS A 60 -2.320 9.565 1.387 1.00 0.00 N ATOM 0 H LYS A 60 -0.599 3.711 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 60 0.306 5.377 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.739 6.169 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.975 6.071 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.694 7.792 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.119 7.909 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.847 9.726 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.194 8.659 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.915 7.541 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.497 8.511 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.442 9.384 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.875 10.495 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.249 9.555 0.919 1.00 0.00 H new ATOM 914 N PHE A 61 2.538 5.552 -1.670 1.00 0.00 N ATOM 915 CA PHE A 61 3.834 5.712 -1.077 1.00 0.00 C ATOM 916 C PHE A 61 4.030 7.158 -0.707 1.00 0.00 C ATOM 917 O PHE A 61 3.353 8.040 -1.256 1.00 0.00 O ATOM 918 CB PHE A 61 4.951 5.248 -2.029 1.00 0.00 C ATOM 919 CG PHE A 61 4.979 3.763 -2.271 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.176 3.182 -3.246 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.809 2.944 -1.516 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.202 1.817 -3.459 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.836 1.585 -1.728 1.00 0.00 C ATOM 924 CZ PHE A 61 5.030 1.019 -2.702 1.00 0.00 C ATOM 0 H PHE A 61 2.518 5.648 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 61 3.888 5.090 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.833 5.758 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.913 5.556 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.525 3.804 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.440 3.379 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.573 1.376 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.486 0.959 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.051 -0.048 -2.868 1.00 0.00 H new ATOM 934 N ALA A 62 4.954 7.412 0.204 1.00 0.00 N ATOM 935 CA ALA A 62 5.306 8.769 0.642 1.00 0.00 C ATOM 936 C ALA A 62 5.765 9.634 -0.539 1.00 0.00 C ATOM 937 O ALA A 62 5.716 10.861 -0.494 1.00 0.00 O ATOM 938 CB ALA A 62 6.386 8.700 1.703 1.00 0.00 C ATOM 0 H ALA A 62 5.491 6.681 0.670 1.00 0.00 H new ATOM 0 HA ALA A 62 4.417 9.236 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.644 9.709 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.021 8.128 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.270 8.213 1.291 1.00 0.00 H new ATOM 944 N ASP A 63 6.169 8.961 -1.598 1.00 0.00 N ATOM 945 CA ASP A 63 6.602 9.572 -2.854 1.00 0.00 C ATOM 946 C ASP A 63 5.420 10.263 -3.578 1.00 0.00 C ATOM 947 O ASP A 63 5.618 11.136 -4.419 1.00 0.00 O ATOM 948 CB ASP A 63 7.213 8.468 -3.737 1.00 0.00 C ATOM 949 CG ASP A 63 7.576 8.906 -5.138 1.00 0.00 C ATOM 950 OD1 ASP A 63 8.597 9.593 -5.323 1.00 0.00 O ATOM 951 OD2 ASP A 63 6.856 8.545 -6.083 1.00 0.00 O ATOM 0 H ASP A 63 6.209 7.942 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 63 7.344 10.344 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.108 8.085 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.506 7.641 -3.802 1.00 0.00 H new ATOM 956 N GLY A 64 4.198 9.899 -3.208 1.00 0.00 N ATOM 957 CA GLY A 64 3.013 10.490 -3.818 1.00 0.00 C ATOM 958 C GLY A 64 2.428 9.589 -4.869 1.00 0.00 C ATOM 959 O GLY A 64 1.325 9.821 -5.384 1.00 0.00 O ATOM 0 H GLY A 64 4.002 9.200 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.266 10.687 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.272 11.450 -4.264 1.00 0.00 H new ATOM 963 N SER A 65 3.157 8.566 -5.178 1.00 0.00 N ATOM 964 CA SER A 65 2.776 7.617 -6.152 1.00 0.00 C ATOM 965 C SER A 65 1.797 6.602 -5.575 1.00 0.00 C ATOM 966 O SER A 65 1.958 6.127 -4.436 1.00 0.00 O ATOM 967 CB SER A 65 4.035 6.959 -6.686 1.00 0.00 C ATOM 968 OG SER A 65 4.967 6.747 -5.631 1.00 0.00 O ATOM 0 H SER A 65 4.058 8.369 -4.743 1.00 0.00 H new ATOM 0 HA SER A 65 2.253 8.107 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.785 6.008 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.483 7.587 -7.456 1.00 0.00 H new ATOM 0 HG SER A 65 5.847 7.085 -5.899 1.00 0.00 H new ATOM 974 N THR A 66 0.772 6.308 -6.329 1.00 0.00 N ATOM 975 CA THR A 66 -0.189 5.342 -5.925 1.00 0.00 C ATOM 976 C THR A 66 -0.114 4.162 -6.865 1.00 0.00 C ATOM 977 O THR A 66 0.024 4.339 -8.082 1.00 0.00 O ATOM 978 CB THR A 66 -1.621 5.944 -5.946 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.886 6.557 -7.233 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.793 6.981 -4.849 1.00 0.00 C ATOM 0 H THR A 66 0.588 6.735 -7.237 1.00 0.00 H new ATOM 0 HA THR A 66 0.028 5.025 -4.905 1.00 0.00 H new ATOM 0 HB THR A 66 -2.328 5.133 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.791 6.932 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.804 7.386 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.625 6.515 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.074 7.787 -4.994 1.00 0.00 H new ATOM 988 N LEU A 67 -0.186 2.990 -6.315 1.00 0.00 N ATOM 989 CA LEU A 67 -0.140 1.764 -7.072 1.00 0.00 C ATOM 990 C LEU A 67 -1.324 0.911 -6.702 1.00 0.00 C ATOM 991 O LEU A 67 -1.587 0.686 -5.521 1.00 0.00 O ATOM 992 CB LEU A 67 1.178 0.977 -6.831 1.00 0.00 C ATOM 993 CG LEU A 67 2.457 1.442 -7.566 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.955 2.826 -7.162 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.548 0.397 -7.463 1.00 0.00 C ATOM 0 H LEU A 67 -0.280 2.849 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.174 2.019 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.385 0.995 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.998 -0.063 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 67 2.172 1.550 -8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.855 3.068 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.183 3.566 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.183 2.834 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.437 0.747 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.789 0.225 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.204 -0.534 -7.913 1.00 0.00 H new ATOM 1007 N THR A 68 -2.043 0.473 -7.677 1.00 0.00 N ATOM 1008 CA THR A 68 -3.193 -0.351 -7.460 1.00 0.00 C ATOM 1009 C THR A 68 -2.874 -1.802 -7.836 1.00 0.00 C ATOM 1010 O THR A 68 -2.413 -2.071 -8.951 1.00 0.00 O ATOM 1011 CB THR A 68 -4.395 0.198 -8.258 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.736 1.511 -7.753 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.598 -0.706 -8.148 1.00 0.00 C ATOM 0 H THR A 68 -1.852 0.676 -8.658 1.00 0.00 H new ATOM 0 HA THR A 68 -3.462 -0.333 -6.404 1.00 0.00 H new ATOM 0 HB THR A 68 -4.110 0.251 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.130 1.426 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.423 -0.285 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.349 -1.692 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.893 -0.794 -7.102 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.075 -2.699 -6.877 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.790 -4.142 -7.015 1.00 0.00 C ATOM 1023 C ASN A 69 -1.332 -4.435 -7.434 1.00 0.00 C ATOM 1024 O ASN A 69 -1.101 -5.129 -8.431 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.757 -4.860 -7.988 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.205 -4.920 -7.532 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.711 -4.027 -6.867 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.874 -5.986 -7.883 1.00 0.00 N ATOM 0 H ASN A 69 -3.447 -2.450 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.947 -4.544 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.717 -4.355 -8.953 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.400 -5.878 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.849 -6.092 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.422 -6.712 -8.438 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.318 -3.922 -6.703 1.00 0.00 N ATOM 1036 CA PRO A 70 1.074 -4.195 -7.031 1.00 0.00 C ATOM 1037 C PRO A 70 1.528 -5.533 -6.448 1.00 0.00 C ATOM 1038 O PRO A 70 0.839 -6.127 -5.604 1.00 0.00 O ATOM 1039 CB PRO A 70 1.802 -3.055 -6.330 1.00 0.00 C ATOM 1040 CG PRO A 70 1.006 -2.857 -5.091 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.425 -3.041 -5.510 1.00 0.00 C ATOM 0 HA PRO A 70 1.256 -4.256 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.837 -3.315 -6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.824 -2.154 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.287 -3.577 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.169 -1.864 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.020 -3.502 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.899 -2.090 -5.753 1.00 0.00 H new ATOM 1049 N SER A 71 2.649 -6.005 -6.897 1.00 0.00 N ATOM 1050 CA SER A 71 3.221 -7.200 -6.361 1.00 0.00 C ATOM 1051 C SER A 71 4.086 -6.808 -5.156 1.00 0.00 C ATOM 1052 O SER A 71 4.560 -5.659 -5.080 1.00 0.00 O ATOM 1053 CB SER A 71 4.060 -7.879 -7.437 1.00 0.00 C ATOM 1054 OG SER A 71 3.356 -7.885 -8.680 1.00 0.00 O ATOM 0 H SER A 71 3.193 -5.573 -7.644 1.00 0.00 H new ATOM 0 HA SER A 71 2.448 -7.899 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.010 -7.357 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.292 -8.901 -7.137 1.00 0.00 H new ATOM 0 HG SER A 71 3.427 -7.003 -9.101 1.00 0.00 H new ATOM 1060 N ALA A 72 4.298 -7.732 -4.238 1.00 0.00 N ATOM 1061 CA ALA A 72 5.058 -7.466 -3.018 1.00 0.00 C ATOM 1062 C ALA A 72 6.498 -7.080 -3.335 1.00 0.00 C ATOM 1063 O ALA A 72 7.069 -6.187 -2.703 1.00 0.00 O ATOM 1064 CB ALA A 72 5.015 -8.670 -2.095 1.00 0.00 C ATOM 0 H ALA A 72 3.951 -8.689 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 72 4.594 -6.621 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.585 -8.456 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.981 -8.887 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.448 -9.533 -2.602 1.00 0.00 H new ATOM 1070 N ASP A 73 7.053 -7.718 -4.355 1.00 0.00 N ATOM 1071 CA ASP A 73 8.417 -7.441 -4.812 1.00 0.00 C ATOM 1072 C ASP A 73 8.530 -6.030 -5.350 1.00 0.00 C ATOM 1073 O ASP A 73 9.550 -5.368 -5.171 1.00 0.00 O ATOM 1074 CB ASP A 73 8.882 -8.439 -5.884 1.00 0.00 C ATOM 1075 CG ASP A 73 9.194 -9.821 -5.353 1.00 0.00 C ATOM 1076 OD1 ASP A 73 10.326 -10.043 -4.884 1.00 0.00 O ATOM 1077 OD2 ASP A 73 8.328 -10.723 -5.429 1.00 0.00 O ATOM 0 H ASP A 73 6.576 -8.442 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 73 9.066 -7.550 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.108 -8.522 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.771 -8.041 -6.373 1.00 0.00 H new ATOM 1082 N GLU A 74 7.462 -5.563 -5.986 1.00 0.00 N ATOM 1083 CA GLU A 74 7.416 -4.212 -6.523 1.00 0.00 C ATOM 1084 C GLU A 74 7.429 -3.225 -5.389 1.00 0.00 C ATOM 1085 O GLU A 74 8.152 -2.243 -5.424 1.00 0.00 O ATOM 1086 CB GLU A 74 6.165 -3.983 -7.364 1.00 0.00 C ATOM 1087 CG GLU A 74 6.074 -4.819 -8.618 1.00 0.00 C ATOM 1088 CD GLU A 74 4.808 -4.539 -9.373 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.765 -3.565 -10.135 1.00 0.00 O ATOM 1090 OE2 GLU A 74 3.816 -5.267 -9.198 1.00 0.00 O ATOM 0 H GLU A 74 6.612 -6.105 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 74 8.288 -4.075 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.289 -4.185 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.122 -2.930 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.933 -4.614 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.117 -5.876 -8.356 1.00 0.00 H new ATOM 1097 N VAL A 75 6.630 -3.512 -4.372 1.00 0.00 N ATOM 1098 CA VAL A 75 6.543 -2.675 -3.184 1.00 0.00 C ATOM 1099 C VAL A 75 7.904 -2.608 -2.497 1.00 0.00 C ATOM 1100 O VAL A 75 8.372 -1.536 -2.145 1.00 0.00 O ATOM 1101 CB VAL A 75 5.471 -3.208 -2.191 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.417 -2.360 -0.927 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.104 -3.248 -2.853 1.00 0.00 C ATOM 0 H VAL A 75 6.024 -4.332 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 75 6.243 -1.675 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 75 5.756 -4.221 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.658 -2.759 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.388 -2.382 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.166 -1.332 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.367 -3.623 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.824 -2.243 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.139 -3.906 -3.721 1.00 0.00 H new ATOM 1113 N LYS A 76 8.534 -3.760 -2.363 1.00 0.00 N ATOM 1114 CA LYS A 76 9.858 -3.885 -1.769 1.00 0.00 C ATOM 1115 C LYS A 76 10.897 -3.035 -2.536 1.00 0.00 C ATOM 1116 O LYS A 76 11.629 -2.243 -1.934 1.00 0.00 O ATOM 1117 CB LYS A 76 10.259 -5.371 -1.757 1.00 0.00 C ATOM 1118 CG LYS A 76 11.658 -5.689 -1.237 1.00 0.00 C ATOM 1119 CD LYS A 76 11.831 -5.327 0.227 1.00 0.00 C ATOM 1120 CE LYS A 76 13.188 -5.785 0.724 1.00 0.00 C ATOM 1121 NZ LYS A 76 13.390 -5.493 2.151 1.00 0.00 N ATOM 0 H LYS A 76 8.138 -4.649 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 76 9.831 -3.509 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.536 -5.916 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.176 -5.756 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.859 -6.752 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.394 -5.148 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.733 -4.249 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.043 -5.792 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.290 -6.857 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.969 -5.296 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.331 -5.825 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.320 -4.467 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.662 -5.980 2.711 1.00 0.00 H new ATOM 1135 N ALA A 77 10.913 -3.165 -3.858 1.00 0.00 N ATOM 1136 CA ALA A 77 11.867 -2.441 -4.700 1.00 0.00 C ATOM 1137 C ALA A 77 11.561 -0.936 -4.750 1.00 0.00 C ATOM 1138 O ALA A 77 12.433 -0.123 -5.063 1.00 0.00 O ATOM 1139 CB ALA A 77 11.899 -3.038 -6.093 1.00 0.00 C ATOM 0 H ALA A 77 10.273 -3.768 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 77 12.855 -2.549 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.613 -2.489 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.200 -4.084 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.907 -2.970 -6.541 1.00 0.00 H new ATOM 1145 N LYS A 78 10.333 -0.567 -4.466 1.00 0.00 N ATOM 1146 CA LYS A 78 9.989 0.838 -4.365 1.00 0.00 C ATOM 1147 C LYS A 78 10.395 1.352 -3.006 1.00 0.00 C ATOM 1148 O LYS A 78 10.971 2.423 -2.898 1.00 0.00 O ATOM 1149 CB LYS A 78 8.489 1.082 -4.550 1.00 0.00 C ATOM 1150 CG LYS A 78 7.933 0.812 -5.936 1.00 0.00 C ATOM 1151 CD LYS A 78 8.479 1.774 -6.976 1.00 0.00 C ATOM 1152 CE LYS A 78 7.773 1.594 -8.317 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.957 0.240 -8.873 1.00 0.00 N ATOM 0 H LYS A 78 9.560 -1.211 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 78 10.519 1.363 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.950 0.458 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.276 2.119 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.174 -0.210 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.846 0.888 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.351 2.800 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.549 1.610 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.708 1.791 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.153 2.330 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.532 0.193 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.973 0.027 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.496 -0.456 -8.252 1.00 0.00 H new ATOM 1167 N LEU A 79 10.114 0.560 -1.983 1.00 0.00 N ATOM 1168 CA LEU A 79 10.373 0.924 -0.595 1.00 0.00 C ATOM 1169 C LEU A 79 11.826 1.317 -0.412 1.00 0.00 C ATOM 1170 O LEU A 79 12.128 2.381 0.143 1.00 0.00 O ATOM 1171 CB LEU A 79 10.035 -0.245 0.356 1.00 0.00 C ATOM 1172 CG LEU A 79 10.121 0.027 1.867 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.084 1.040 2.340 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.012 -1.257 2.660 1.00 0.00 C ATOM 0 H LEU A 79 9.695 -0.364 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 79 9.735 1.773 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.023 -0.581 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.705 -1.073 0.124 1.00 0.00 H new ATOM 0 HG LEU A 79 11.102 0.466 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.190 1.194 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.236 1.986 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.084 0.665 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.076 -1.034 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.057 -1.736 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.825 -1.927 2.380 1.00 0.00 H new ATOM 1186 N VAL A 80 12.707 0.482 -0.926 1.00 0.00 N ATOM 1187 CA VAL A 80 14.132 0.702 -0.815 1.00 0.00 C ATOM 1188 C VAL A 80 14.563 2.029 -1.451 1.00 0.00 C ATOM 1189 O VAL A 80 15.335 2.774 -0.863 1.00 0.00 O ATOM 1190 CB VAL A 80 14.968 -0.500 -1.372 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.683 -1.766 -0.589 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.706 -0.734 -2.848 1.00 0.00 C ATOM 0 H VAL A 80 12.454 -0.367 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 80 14.347 0.770 0.251 1.00 0.00 H new ATOM 0 HB VAL A 80 16.020 -0.239 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.275 -2.586 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.945 -1.613 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.624 -2.011 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.305 -1.576 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.649 -0.954 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.975 0.159 -3.411 1.00 0.00 H new ATOM 1202 N LYS A 81 13.998 2.350 -2.603 1.00 0.00 N ATOM 1203 CA LYS A 81 14.395 3.540 -3.322 1.00 0.00 C ATOM 1204 C LYS A 81 13.724 4.811 -2.780 1.00 0.00 C ATOM 1205 O LYS A 81 14.357 5.864 -2.710 1.00 0.00 O ATOM 1206 CB LYS A 81 14.172 3.382 -4.839 1.00 0.00 C ATOM 1207 CG LYS A 81 12.720 3.326 -5.278 1.00 0.00 C ATOM 1208 CD LYS A 81 12.587 3.064 -6.773 1.00 0.00 C ATOM 1209 CE LYS A 81 13.215 4.167 -7.628 1.00 0.00 C ATOM 1210 NZ LYS A 81 12.558 5.476 -7.438 1.00 0.00 N ATOM 0 H LYS A 81 13.266 1.803 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 81 15.465 3.663 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.657 4.214 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.670 2.471 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.204 2.541 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.229 4.267 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.059 2.111 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.531 2.970 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.273 4.256 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.157 3.884 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.940 6.159 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.533 5.375 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.737 5.817 -6.472 1.00 0.00 H new ATOM 1224 N ILE A 82 12.450 4.721 -2.390 1.00 0.00 N ATOM 1225 CA ILE A 82 11.741 5.909 -1.931 1.00 0.00 C ATOM 1226 C ILE A 82 12.040 6.251 -0.481 1.00 0.00 C ATOM 1227 O ILE A 82 12.196 7.417 -0.139 1.00 0.00 O ATOM 1228 CB ILE A 82 10.189 5.924 -2.270 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.375 4.754 -1.647 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.976 5.952 -3.774 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.029 4.901 -0.177 1.00 0.00 C ATOM 0 H ILE A 82 11.903 3.860 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 82 12.153 6.723 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 82 9.805 6.834 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.448 4.641 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.942 3.832 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.908 5.962 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.439 6.847 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.428 5.067 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.462 4.030 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.946 4.979 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.430 5.800 -0.032 1.00 0.00 H new ATOM 1243 N ALA A 83 12.181 5.241 0.358 1.00 0.00 N ATOM 1244 CA ALA A 83 12.473 5.482 1.757 1.00 0.00 C ATOM 1245 C ALA A 83 13.962 5.678 1.946 1.00 0.00 C ATOM 1246 O ALA A 83 14.391 6.386 2.858 1.00 0.00 O ATOM 1247 CB ALA A 83 11.950 4.359 2.638 1.00 0.00 C ATOM 0 H ALA A 83 12.099 4.258 0.099 1.00 0.00 H new ATOM 0 HA ALA A 83 11.958 6.393 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.187 4.574 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.869 4.278 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.418 3.419 2.346 1.00 0.00 H new