USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 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= 1.98 K(o=3.2,f=-2.9) USER MOD Set 1.2: A 55 THR OG1 : rot 103:sc= 1.08 USER MOD Set 1.3: A 58 THR OG1 : rot 78:sc= 0.182 USER MOD Set 1.4: A 68 THR OG1 : rot -152:sc=0.000547 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -137:sc= 1.9 (180deg=0.412) USER MOD Set 2.2: A 25 THR OG1 : rot 85:sc= 1.12 USER MOD Set 2.3: A 31 TYR OH : rot -169:sc= 0.895 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0494) USER MOD Single : A 9 TYR OH : rot -61:sc= 0.235 USER MOD Single : A 10 THR OG1 : rot 150:sc= -2.28! USER MOD Single : A 11 THR OG1 : rot -180:sc= 0.412 USER MOD Single : A 12 SER OG : rot -35:sc= 0.088 USER MOD Single : A 16 TYR OH : rot 130:sc= 0 USER MOD Single : A 22 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 27 ASN : amide:sc= 1.21 K(o=1.2,f=-0.021) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.279 K(o=-0.28,f=-0.94) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0162 K(o=0.016,f=-2.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00468 USER MOD Single : A 69 ASN : amide:sc= -0.67 K(o=-0.67,f=-4.2!) USER MOD Single : A 71 SER OG : rot 103:sc= 1.24 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 0.698 (180deg=0.393) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.19) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 0.796 (180deg=0.693) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 5.171 4.203 5.940 1.00 0.00 N ATOM 61 CA ALA A 5 5.972 4.316 4.740 1.00 0.00 C ATOM 62 C ALA A 5 5.109 3.849 3.582 1.00 0.00 C ATOM 63 O ALA A 5 5.172 4.379 2.464 1.00 0.00 O ATOM 64 CB ALA A 5 7.235 3.466 4.849 1.00 0.00 C ATOM 0 HA ALA A 5 6.294 5.346 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.821 3.567 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.828 3.802 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.959 2.421 4.990 1.00 0.00 H new ATOM 70 N LEU A 6 4.262 2.883 3.881 1.00 0.00 N ATOM 71 CA LEU A 6 3.298 2.377 2.946 1.00 0.00 C ATOM 72 C LEU A 6 1.936 2.609 3.518 1.00 0.00 C ATOM 73 O LEU A 6 1.614 2.077 4.586 1.00 0.00 O ATOM 74 CB LEU A 6 3.447 0.877 2.723 1.00 0.00 C ATOM 75 CG LEU A 6 4.799 0.367 2.299 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.729 -1.116 2.060 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.243 1.065 1.063 1.00 0.00 C ATOM 0 H LEU A 6 4.230 2.428 4.793 1.00 0.00 H new ATOM 0 HA LEU A 6 3.449 2.888 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.172 0.371 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.722 0.576 1.967 1.00 0.00 H new ATOM 0 HG LEU A 6 5.521 0.566 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.709 -1.482 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.425 -1.619 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.002 -1.324 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.222 0.689 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.525 0.882 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.308 2.136 1.254 1.00 0.00 H new ATOM 89 N THR A 7 1.151 3.377 2.855 1.00 0.00 N ATOM 90 CA THR A 7 -0.180 3.609 3.304 1.00 0.00 C ATOM 91 C THR A 7 -1.096 2.751 2.439 1.00 0.00 C ATOM 92 O THR A 7 -1.248 3.018 1.249 1.00 0.00 O ATOM 93 CB THR A 7 -0.543 5.094 3.133 1.00 0.00 C ATOM 94 OG1 THR A 7 0.524 5.915 3.655 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.819 5.425 3.877 1.00 0.00 C ATOM 0 H THR A 7 1.406 3.860 1.994 1.00 0.00 H new ATOM 0 HA THR A 7 -0.284 3.355 4.359 1.00 0.00 H new ATOM 0 HB THR A 7 -0.688 5.290 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.293 6.861 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.056 6.480 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.636 4.817 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.686 5.216 4.939 1.00 0.00 H new ATOM 103 N ILE A 8 -1.639 1.708 3.008 1.00 0.00 N ATOM 104 CA ILE A 8 -2.466 0.791 2.268 1.00 0.00 C ATOM 105 C ILE A 8 -3.917 0.952 2.670 1.00 0.00 C ATOM 106 O ILE A 8 -4.250 1.076 3.847 1.00 0.00 O ATOM 107 CB ILE A 8 -2.001 -0.694 2.440 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.559 -0.852 1.926 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.944 -1.669 1.714 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.013 -2.260 2.024 1.00 0.00 C ATOM 0 H ILE A 8 -1.522 1.470 3.993 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.363 1.035 1.211 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.032 -0.940 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.520 -0.531 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.091 -0.183 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.590 -2.690 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.950 -1.574 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.961 -1.435 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.007 -2.282 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.016 -2.580 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.636 -2.934 1.436 1.00 0.00 H new ATOM 122 N TYR A 9 -4.751 0.995 1.695 1.00 0.00 N ATOM 123 CA TYR A 9 -6.159 1.141 1.885 1.00 0.00 C ATOM 124 C TYR A 9 -6.795 -0.244 1.979 1.00 0.00 C ATOM 125 O TYR A 9 -6.638 -1.041 1.071 1.00 0.00 O ATOM 126 CB TYR A 9 -6.721 1.946 0.703 1.00 0.00 C ATOM 127 CG TYR A 9 -6.101 3.331 0.579 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.583 4.402 1.318 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.013 3.553 -0.256 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.999 5.653 1.221 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.422 4.791 -0.350 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.916 5.838 0.386 1.00 0.00 C ATOM 133 OH TYR A 9 -4.321 7.070 0.295 1.00 0.00 O ATOM 0 H TYR A 9 -4.472 0.928 0.716 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.383 1.674 2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.549 1.393 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.800 2.046 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.426 4.257 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.623 2.735 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.389 6.480 1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.573 4.938 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.970 7.723 -0.042 1.00 0.00 H new ATOM 143 N THR A 10 -7.449 -0.547 3.104 1.00 0.00 N ATOM 144 CA THR A 10 -8.106 -1.837 3.304 1.00 0.00 C ATOM 145 C THR A 10 -9.454 -1.668 4.009 1.00 0.00 C ATOM 146 O THR A 10 -9.712 -0.628 4.616 1.00 0.00 O ATOM 147 CB THR A 10 -7.230 -2.814 4.125 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.768 -2.173 5.308 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.046 -3.339 3.326 1.00 0.00 C ATOM 0 H THR A 10 -7.536 0.091 3.895 1.00 0.00 H new ATOM 0 HA THR A 10 -8.263 -2.258 2.311 1.00 0.00 H new ATOM 0 HB THR A 10 -7.853 -3.670 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.651 -2.839 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.462 -4.020 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.408 -3.869 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.418 -2.504 3.014 1.00 0.00 H new ATOM 157 N THR A 11 -10.293 -2.697 3.915 1.00 0.00 N ATOM 158 CA THR A 11 -11.630 -2.756 4.509 1.00 0.00 C ATOM 159 C THR A 11 -11.988 -4.229 4.701 1.00 0.00 C ATOM 160 O THR A 11 -11.141 -5.104 4.466 1.00 0.00 O ATOM 161 CB THR A 11 -12.686 -2.156 3.552 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.481 -2.680 2.234 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.661 -0.645 3.510 1.00 0.00 C ATOM 0 H THR A 11 -10.053 -3.546 3.404 1.00 0.00 H new ATOM 0 HA THR A 11 -11.626 -2.198 5.445 1.00 0.00 H new ATOM 0 HB THR A 11 -13.666 -2.442 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.147 -2.300 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.426 -0.287 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.858 -0.250 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.681 -0.307 3.173 1.00 0.00 H new ATOM 171 N SER A 12 -13.208 -4.507 5.138 1.00 0.00 N ATOM 172 CA SER A 12 -13.715 -5.874 5.197 1.00 0.00 C ATOM 173 C SER A 12 -14.107 -6.348 3.786 1.00 0.00 C ATOM 174 O SER A 12 -14.334 -7.544 3.555 1.00 0.00 O ATOM 175 CB SER A 12 -14.935 -5.965 6.126 1.00 0.00 C ATOM 176 OG SER A 12 -15.368 -7.318 6.305 1.00 0.00 O ATOM 0 H SER A 12 -13.870 -3.801 5.459 1.00 0.00 H new ATOM 0 HA SER A 12 -12.927 -6.514 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.687 -5.532 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.752 -5.374 5.712 1.00 0.00 H new ATOM 0 HG SER A 12 -15.242 -7.815 5.470 1.00 0.00 H new ATOM 182 N TRP A 13 -14.145 -5.416 2.835 1.00 0.00 N ATOM 183 CA TRP A 13 -14.502 -5.712 1.437 1.00 0.00 C ATOM 184 C TRP A 13 -13.218 -6.205 0.747 1.00 0.00 C ATOM 185 O TRP A 13 -12.906 -5.838 -0.386 1.00 0.00 O ATOM 186 CB TRP A 13 -14.983 -4.409 0.736 1.00 0.00 C ATOM 187 CG TRP A 13 -15.920 -3.557 1.560 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.935 -3.983 2.358 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.931 -2.119 1.639 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.542 -2.915 2.958 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.957 -1.761 2.531 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.165 -1.103 1.053 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.238 -0.434 2.858 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.447 0.212 1.374 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.473 0.536 2.269 1.00 0.00 C ATOM 0 H TRP A 13 -13.930 -4.434 3.006 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.297 -6.456 1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.110 -3.812 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.482 -4.677 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.220 -5.015 2.498 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -18.314 -2.973 3.623 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.369 -1.342 0.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -18.029 -0.182 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.865 1.004 0.926 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.665 1.573 2.500 1.00 0.00 H new ATOM 206 N CYS A 14 -12.516 -7.073 1.423 1.00 0.00 N ATOM 207 CA CYS A 14 -11.189 -7.412 1.063 1.00 0.00 C ATOM 208 C CYS A 14 -10.928 -8.908 1.071 1.00 0.00 C ATOM 209 O CYS A 14 -11.202 -9.594 2.060 1.00 0.00 O ATOM 210 CB CYS A 14 -10.267 -6.737 2.065 1.00 0.00 C ATOM 211 SG CYS A 14 -8.528 -7.084 1.832 1.00 0.00 S ATOM 0 H CYS A 14 -12.864 -7.564 2.247 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.013 -7.077 0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.419 -5.659 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.554 -7.048 3.069 1.00 0.00 H new ATOM 216 N GLY A 15 -10.425 -9.399 -0.040 1.00 0.00 N ATOM 217 CA GLY A 15 -9.949 -10.753 -0.119 1.00 0.00 C ATOM 218 C GLY A 15 -8.545 -10.780 -0.693 1.00 0.00 C ATOM 219 O GLY A 15 -7.565 -10.988 0.021 1.00 0.00 O ATOM 0 H GLY A 15 -10.337 -8.870 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.954 -11.207 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.617 -11.346 -0.744 1.00 0.00 H new ATOM 223 N TYR A 16 -8.446 -10.470 -1.977 1.00 0.00 N ATOM 224 CA TYR A 16 -7.169 -10.454 -2.721 1.00 0.00 C ATOM 225 C TYR A 16 -6.144 -9.430 -2.171 1.00 0.00 C ATOM 226 O TYR A 16 -4.951 -9.537 -2.433 1.00 0.00 O ATOM 227 CB TYR A 16 -7.412 -10.263 -4.243 1.00 0.00 C ATOM 228 CG TYR A 16 -8.212 -9.020 -4.620 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.589 -8.987 -4.460 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.592 -7.888 -5.127 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.324 -7.876 -4.786 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.328 -6.763 -5.454 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.693 -6.765 -5.276 1.00 0.00 C ATOM 234 OH TYR A 16 -10.429 -5.639 -5.571 1.00 0.00 O ATOM 0 H TYR A 16 -9.252 -10.218 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.714 -11.433 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.446 -10.221 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.933 -11.141 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.095 -9.857 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.521 -7.884 -5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.396 -7.878 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.834 -5.887 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.012 -4.857 -5.152 1.00 0.00 H new ATOM 244 N CYS A 17 -6.609 -8.466 -1.400 1.00 0.00 N ATOM 245 CA CYS A 17 -5.725 -7.480 -0.780 1.00 0.00 C ATOM 246 C CYS A 17 -4.906 -8.123 0.337 1.00 0.00 C ATOM 247 O CYS A 17 -3.735 -7.780 0.554 1.00 0.00 O ATOM 248 CB CYS A 17 -6.548 -6.358 -0.194 1.00 0.00 C ATOM 249 SG CYS A 17 -8.288 -6.758 -0.124 1.00 0.00 S ATOM 0 H CYS A 17 -7.598 -8.339 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.051 -7.093 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.189 -6.133 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.408 -5.457 -0.792 1.00 0.00 H new ATOM 254 N LEU A 18 -5.524 -9.090 1.025 1.00 0.00 N ATOM 255 CA LEU A 18 -4.897 -9.779 2.136 1.00 0.00 C ATOM 256 C LEU A 18 -3.720 -10.576 1.658 1.00 0.00 C ATOM 257 O LEU A 18 -2.690 -10.634 2.326 1.00 0.00 O ATOM 258 CB LEU A 18 -5.885 -10.692 2.834 1.00 0.00 C ATOM 259 CG LEU A 18 -7.093 -10.010 3.461 1.00 0.00 C ATOM 260 CD1 LEU A 18 -7.941 -11.031 4.136 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.666 -8.950 4.460 1.00 0.00 C ATOM 0 H LEU A 18 -6.471 -9.409 0.820 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.555 -9.028 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.241 -11.428 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.356 -11.239 3.614 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.663 -9.519 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.807 -10.545 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.277 -11.766 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.361 -11.530 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.550 -8.480 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.078 -9.413 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.064 -8.195 3.954 1.00 0.00 H new ATOM 273 N ARG A 19 -3.876 -11.154 0.470 1.00 0.00 N ATOM 274 CA ARG A 19 -2.842 -11.938 -0.203 1.00 0.00 C ATOM 275 C ARG A 19 -1.545 -11.135 -0.286 1.00 0.00 C ATOM 276 O ARG A 19 -0.471 -11.615 0.090 1.00 0.00 O ATOM 277 CB ARG A 19 -3.314 -12.260 -1.622 1.00 0.00 C ATOM 278 CG ARG A 19 -2.328 -13.058 -2.463 1.00 0.00 C ATOM 279 CD ARG A 19 -2.779 -13.106 -3.912 1.00 0.00 C ATOM 280 NE ARG A 19 -2.815 -11.759 -4.515 1.00 0.00 N ATOM 281 CZ ARG A 19 -3.715 -11.329 -5.421 1.00 0.00 C ATOM 282 NH1 ARG A 19 -4.680 -12.150 -5.858 1.00 0.00 N ATOM 283 NH2 ARG A 19 -3.639 -10.076 -5.896 1.00 0.00 N ATOM 0 H ARG A 19 -4.743 -11.090 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.662 -12.855 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.249 -12.817 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.533 -11.325 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.338 -12.606 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.242 -14.071 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.103 -13.743 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.769 -13.558 -3.971 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.097 -11.097 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.736 -13.105 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.359 -11.820 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.901 -9.451 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.319 -9.748 -6.582 1.00 0.00 H new ATOM 297 N LEU A 20 -1.676 -9.906 -0.732 1.00 0.00 N ATOM 298 CA LEU A 20 -0.540 -9.037 -0.916 1.00 0.00 C ATOM 299 C LEU A 20 0.001 -8.531 0.413 1.00 0.00 C ATOM 300 O LEU A 20 1.208 -8.564 0.650 1.00 0.00 O ATOM 301 CB LEU A 20 -0.911 -7.845 -1.809 1.00 0.00 C ATOM 302 CG LEU A 20 0.159 -6.742 -2.005 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.262 -7.130 -2.997 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.490 -5.434 -2.395 1.00 0.00 C ATOM 0 H LEU A 20 -2.572 -9.483 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 20 0.240 -9.623 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.181 -8.231 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.804 -7.378 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 20 0.655 -6.619 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.976 -6.311 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.775 -8.023 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.819 -7.332 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.278 -4.672 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.038 -5.564 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.179 -5.121 -1.610 1.00 0.00 H new ATOM 316 N LYS A 21 -0.879 -8.087 1.297 1.00 0.00 N ATOM 317 CA LYS A 21 -0.407 -7.466 2.514 1.00 0.00 C ATOM 318 C LYS A 21 0.231 -8.485 3.475 1.00 0.00 C ATOM 319 O LYS A 21 1.139 -8.145 4.236 1.00 0.00 O ATOM 320 CB LYS A 21 -1.478 -6.556 3.167 1.00 0.00 C ATOM 321 CG LYS A 21 -2.460 -7.192 4.135 1.00 0.00 C ATOM 322 CD LYS A 21 -3.524 -6.158 4.527 1.00 0.00 C ATOM 323 CE LYS A 21 -4.300 -6.556 5.772 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.511 -6.386 7.023 1.00 0.00 N ATOM 0 H LYS A 21 -1.892 -8.144 1.197 1.00 0.00 H new ATOM 0 HA LYS A 21 0.402 -6.789 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.959 -5.756 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.053 -6.089 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.932 -8.060 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.936 -7.547 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.043 -5.195 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.219 -6.026 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.208 -5.956 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.612 -7.597 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.656 -7.211 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.501 -6.303 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.823 -5.525 7.516 1.00 0.00 H new ATOM 338 N THR A 22 -0.182 -9.741 3.397 1.00 0.00 N ATOM 339 CA THR A 22 0.449 -10.774 4.203 1.00 0.00 C ATOM 340 C THR A 22 1.824 -11.135 3.625 1.00 0.00 C ATOM 341 O THR A 22 2.739 -11.517 4.354 1.00 0.00 O ATOM 342 CB THR A 22 -0.434 -12.029 4.353 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.891 -12.464 3.062 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.626 -11.744 5.250 1.00 0.00 C ATOM 0 H THR A 22 -0.938 -10.066 2.795 1.00 0.00 H new ATOM 0 HA THR A 22 0.582 -10.367 5.205 1.00 0.00 H new ATOM 0 HB THR A 22 0.164 -12.817 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.741 -12.024 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.235 -12.643 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.275 -11.441 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.224 -10.943 4.816 1.00 0.00 H new ATOM 352 N ALA A 23 1.972 -10.970 2.308 1.00 0.00 N ATOM 353 CA ALA A 23 3.254 -11.172 1.638 1.00 0.00 C ATOM 354 C ALA A 23 4.218 -10.117 2.103 1.00 0.00 C ATOM 355 O ALA A 23 5.378 -10.406 2.394 1.00 0.00 O ATOM 356 CB ALA A 23 3.086 -11.103 0.128 1.00 0.00 C ATOM 0 H ALA A 23 1.214 -10.695 1.684 1.00 0.00 H new ATOM 0 HA ALA A 23 3.641 -12.160 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.052 -11.256 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.392 -11.878 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.693 -10.125 -0.150 1.00 0.00 H new ATOM 362 N LEU A 24 3.721 -8.903 2.206 1.00 0.00 N ATOM 363 CA LEU A 24 4.502 -7.790 2.695 1.00 0.00 C ATOM 364 C LEU A 24 4.910 -8.036 4.148 1.00 0.00 C ATOM 365 O LEU A 24 6.084 -7.926 4.491 1.00 0.00 O ATOM 366 CB LEU A 24 3.709 -6.482 2.562 1.00 0.00 C ATOM 367 CG LEU A 24 3.250 -6.108 1.142 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.531 -4.774 1.140 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.420 -6.083 0.174 1.00 0.00 C ATOM 0 H LEU A 24 2.763 -8.661 1.953 1.00 0.00 H new ATOM 0 HA LEU A 24 5.407 -7.699 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.828 -6.549 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.322 -5.668 2.949 1.00 0.00 H new ATOM 0 HG LEU A 24 2.552 -6.876 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.216 -4.532 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.656 -4.831 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.203 -3.998 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.064 -5.816 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.152 -5.347 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.885 -7.068 0.140 1.00 0.00 H new ATOM 381 N THR A 25 3.944 -8.441 4.966 1.00 0.00 N ATOM 382 CA THR A 25 4.177 -8.734 6.379 1.00 0.00 C ATOM 383 C THR A 25 5.263 -9.831 6.543 1.00 0.00 C ATOM 384 O THR A 25 6.220 -9.666 7.304 1.00 0.00 O ATOM 385 CB THR A 25 2.862 -9.203 7.068 1.00 0.00 C ATOM 386 OG1 THR A 25 1.815 -8.241 6.842 1.00 0.00 O ATOM 387 CG2 THR A 25 3.063 -9.354 8.565 1.00 0.00 C ATOM 0 H THR A 25 2.977 -8.576 4.670 1.00 0.00 H new ATOM 0 HA THR A 25 4.523 -7.816 6.855 1.00 0.00 H new ATOM 0 HB THR A 25 2.585 -10.166 6.640 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.380 -8.426 5.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.131 -9.682 9.026 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.842 -10.092 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.360 -8.396 8.991 1.00 0.00 H new ATOM 395 N ALA A 26 5.131 -10.911 5.767 1.00 0.00 N ATOM 396 CA ALA A 26 6.062 -12.045 5.811 1.00 0.00 C ATOM 397 C ALA A 26 7.467 -11.644 5.385 1.00 0.00 C ATOM 398 O ALA A 26 8.456 -12.255 5.788 1.00 0.00 O ATOM 399 CB ALA A 26 5.557 -13.170 4.923 1.00 0.00 C ATOM 0 H ALA A 26 4.376 -11.025 5.090 1.00 0.00 H new ATOM 0 HA ALA A 26 6.112 -12.387 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.255 -14.006 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.578 -13.498 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.475 -12.814 3.896 1.00 0.00 H new ATOM 405 N ASN A 27 7.548 -10.614 4.592 1.00 0.00 N ATOM 406 CA ASN A 27 8.812 -10.126 4.083 1.00 0.00 C ATOM 407 C ASN A 27 9.364 -8.994 4.924 1.00 0.00 C ATOM 408 O ASN A 27 10.379 -8.392 4.572 1.00 0.00 O ATOM 409 CB ASN A 27 8.678 -9.704 2.620 1.00 0.00 C ATOM 410 CG ASN A 27 8.795 -10.861 1.660 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.898 -11.231 1.250 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.682 -11.421 1.269 1.00 0.00 N ATOM 0 H ASN A 27 6.738 -10.081 4.275 1.00 0.00 H new ATOM 0 HA ASN A 27 9.526 -10.948 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.715 -9.215 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.447 -8.967 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.706 -12.192 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.789 -11.087 1.631 1.00 0.00 H new ATOM 419 N ARG A 28 8.698 -8.723 6.056 1.00 0.00 N ATOM 420 CA ARG A 28 9.084 -7.658 6.999 1.00 0.00 C ATOM 421 C ARG A 28 8.902 -6.274 6.417 1.00 0.00 C ATOM 422 O ARG A 28 9.511 -5.300 6.872 1.00 0.00 O ATOM 423 CB ARG A 28 10.502 -7.853 7.566 1.00 0.00 C ATOM 424 CG ARG A 28 10.603 -8.943 8.622 1.00 0.00 C ATOM 425 CD ARG A 28 9.725 -8.609 9.822 1.00 0.00 C ATOM 426 NE ARG A 28 10.056 -7.290 10.382 1.00 0.00 N ATOM 427 CZ ARG A 28 9.172 -6.319 10.687 1.00 0.00 C ATOM 428 NH1 ARG A 28 7.871 -6.488 10.473 1.00 0.00 N ATOM 429 NH2 ARG A 28 9.607 -5.178 11.180 1.00 0.00 N ATOM 0 H ARG A 28 7.869 -9.240 6.347 1.00 0.00 H new ATOM 0 HA ARG A 28 8.394 -7.742 7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.180 -8.092 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.842 -6.911 7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.298 -9.899 8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.639 -9.052 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.677 -8.626 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.850 -9.373 10.589 1.00 0.00 H new ATOM 0 HE ARG A 28 11.042 -7.092 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.529 -7.362 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.214 -5.744 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.606 -5.034 11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.945 -4.438 11.414 1.00 0.00 H new ATOM 443 N ILE A 29 8.035 -6.174 5.459 1.00 0.00 N ATOM 444 CA ILE A 29 7.711 -4.917 4.871 1.00 0.00 C ATOM 445 C ILE A 29 6.656 -4.253 5.741 1.00 0.00 C ATOM 446 O ILE A 29 5.594 -4.834 5.999 1.00 0.00 O ATOM 447 CB ILE A 29 7.225 -5.086 3.409 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.360 -5.672 2.544 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.739 -3.763 2.852 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.990 -5.921 1.095 1.00 0.00 C ATOM 0 H ILE A 29 7.531 -6.967 5.062 1.00 0.00 H new ATOM 0 HA ILE A 29 8.599 -4.286 4.824 1.00 0.00 H new ATOM 0 HB ILE A 29 6.385 -5.780 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.211 -4.991 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.688 -6.612 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.402 -3.902 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.912 -3.395 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.553 -3.039 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.849 -6.333 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.162 -6.628 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.693 -4.982 0.629 1.00 0.00 H new ATOM 462 N ALA A 30 6.976 -3.088 6.242 1.00 0.00 N ATOM 463 CA ALA A 30 6.103 -2.387 7.145 1.00 0.00 C ATOM 464 C ALA A 30 5.095 -1.543 6.395 1.00 0.00 C ATOM 465 O ALA A 30 5.463 -0.724 5.550 1.00 0.00 O ATOM 466 CB ALA A 30 6.918 -1.527 8.094 1.00 0.00 C ATOM 0 H ALA A 30 7.848 -2.600 6.036 1.00 0.00 H new ATOM 0 HA ALA A 30 5.548 -3.126 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.248 -1.000 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.594 -2.160 8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.498 -0.803 7.522 1.00 0.00 H new ATOM 472 N TYR A 31 3.842 -1.715 6.714 1.00 0.00 N ATOM 473 CA TYR A 31 2.781 -0.961 6.082 1.00 0.00 C ATOM 474 C TYR A 31 1.754 -0.587 7.122 1.00 0.00 C ATOM 475 O TYR A 31 1.809 -1.074 8.257 1.00 0.00 O ATOM 476 CB TYR A 31 2.109 -1.774 4.956 1.00 0.00 C ATOM 477 CG TYR A 31 1.399 -3.036 5.417 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.062 -3.004 5.813 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.061 -4.248 5.457 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.583 -4.140 6.236 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.421 -5.386 5.876 1.00 0.00 C ATOM 482 CZ TYR A 31 0.097 -5.330 6.267 1.00 0.00 C ATOM 483 OH TYR A 31 -0.550 -6.481 6.690 1.00 0.00 O ATOM 0 H TYR A 31 3.522 -2.380 7.418 1.00 0.00 H new ATOM 0 HA TYR A 31 3.211 -0.063 5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.389 -1.135 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.867 -2.048 4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.476 -2.068 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.096 -4.300 5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.618 -4.096 6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.952 -6.326 5.900 1.00 0.00 H new ATOM 0 HH TYR A 31 0.106 -7.199 6.813 1.00 0.00 H new ATOM 493 N ASP A 32 0.849 0.271 6.765 1.00 0.00 N ATOM 494 CA ASP A 32 -0.236 0.631 7.645 1.00 0.00 C ATOM 495 C ASP A 32 -1.517 0.671 6.857 1.00 0.00 C ATOM 496 O ASP A 32 -1.513 1.069 5.692 1.00 0.00 O ATOM 497 CB ASP A 32 0.025 1.964 8.330 1.00 0.00 C ATOM 498 CG ASP A 32 -1.087 2.370 9.254 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.573 1.523 10.023 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.472 3.554 9.250 1.00 0.00 O ATOM 0 H ASP A 32 0.835 0.743 5.861 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.319 -0.120 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.956 1.902 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.162 2.736 7.573 1.00 0.00 H new ATOM 505 N GLU A 33 -2.583 0.235 7.468 1.00 0.00 N ATOM 506 CA GLU A 33 -3.867 0.141 6.819 1.00 0.00 C ATOM 507 C GLU A 33 -4.808 1.264 7.295 1.00 0.00 C ATOM 508 O GLU A 33 -4.935 1.528 8.505 1.00 0.00 O ATOM 509 CB GLU A 33 -4.437 -1.268 7.018 1.00 0.00 C ATOM 510 CG GLU A 33 -4.513 -1.735 8.464 1.00 0.00 C ATOM 511 CD GLU A 33 -4.902 -3.190 8.579 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.039 -4.077 8.319 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.061 -3.483 8.937 1.00 0.00 O ATOM 0 H GLU A 33 -2.588 -0.069 8.442 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.756 0.292 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.438 -1.302 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.825 -1.974 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.547 -1.581 8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.237 -1.124 9.003 1.00 0.00 H new ATOM 520 N VAL A 34 -5.435 1.933 6.342 1.00 0.00 N ATOM 521 CA VAL A 34 -6.239 3.137 6.604 1.00 0.00 C ATOM 522 C VAL A 34 -7.651 2.837 7.168 1.00 0.00 C ATOM 523 O VAL A 34 -8.323 1.897 6.751 1.00 0.00 O ATOM 524 CB VAL A 34 -6.364 4.027 5.324 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.996 5.380 5.633 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.018 4.215 4.662 1.00 0.00 C ATOM 0 H VAL A 34 -5.407 1.664 5.359 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.695 3.679 7.378 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.023 3.502 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.064 5.967 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.995 5.230 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.381 5.911 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.133 4.837 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.334 4.699 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.615 3.244 4.374 1.00 0.00 H new ATOM 536 N ASP A 35 -8.074 3.728 8.076 1.00 0.00 N ATOM 537 CA ASP A 35 -9.373 3.759 8.832 1.00 0.00 C ATOM 538 C ASP A 35 -10.635 3.842 7.950 1.00 0.00 C ATOM 539 O ASP A 35 -11.730 3.938 8.486 1.00 0.00 O ATOM 540 CB ASP A 35 -9.435 4.979 9.767 1.00 0.00 C ATOM 541 CG ASP A 35 -8.291 5.119 10.723 1.00 0.00 C ATOM 542 OD1 ASP A 35 -8.336 4.543 11.826 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.345 5.878 10.408 1.00 0.00 O ATOM 0 H ASP A 35 -7.482 4.517 8.335 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.379 2.810 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.487 5.880 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.361 4.928 10.340 1.00 0.00 H new ATOM 548 N ILE A 36 -10.473 3.905 6.630 1.00 0.00 N ATOM 549 CA ILE A 36 -11.564 4.233 5.652 1.00 0.00 C ATOM 550 C ILE A 36 -12.931 3.547 5.867 1.00 0.00 C ATOM 551 O ILE A 36 -13.953 4.088 5.435 1.00 0.00 O ATOM 552 CB ILE A 36 -11.151 3.966 4.196 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.773 2.504 3.995 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.014 4.868 3.799 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.637 2.123 2.550 1.00 0.00 C ATOM 0 H ILE A 36 -9.574 3.730 6.181 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.704 5.295 5.851 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.005 4.183 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.831 2.305 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.529 1.872 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.733 4.666 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.325 5.908 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.159 4.684 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.367 1.070 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.585 2.291 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.861 2.731 2.085 1.00 0.00 H new ATOM 567 N GLU A 37 -12.974 2.397 6.509 1.00 0.00 N ATOM 568 CA GLU A 37 -14.244 1.730 6.720 1.00 0.00 C ATOM 569 C GLU A 37 -15.062 2.521 7.755 1.00 0.00 C ATOM 570 O GLU A 37 -16.289 2.496 7.765 1.00 0.00 O ATOM 571 CB GLU A 37 -14.039 0.299 7.202 1.00 0.00 C ATOM 572 CG GLU A 37 -15.251 -0.582 6.984 1.00 0.00 C ATOM 573 CD GLU A 37 -15.046 -1.976 7.480 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.419 -2.788 6.779 1.00 0.00 O ATOM 575 OE2 GLU A 37 -15.510 -2.286 8.600 1.00 0.00 O ATOM 0 H GLU A 37 -12.161 1.912 6.888 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.782 1.690 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.185 -0.134 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.793 0.312 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.110 -0.143 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.488 -0.610 5.921 1.00 0.00 H new ATOM 582 N HIS A 38 -14.359 3.246 8.594 1.00 0.00 N ATOM 583 CA HIS A 38 -14.968 4.055 9.624 1.00 0.00 C ATOM 584 C HIS A 38 -15.071 5.503 9.165 1.00 0.00 C ATOM 585 O HIS A 38 -16.051 6.196 9.472 1.00 0.00 O ATOM 586 CB HIS A 38 -14.177 3.966 10.937 1.00 0.00 C ATOM 587 CG HIS A 38 -14.143 2.595 11.546 1.00 0.00 C ATOM 588 ND1 HIS A 38 -14.900 2.216 12.629 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.422 1.500 11.198 1.00 0.00 C ATOM 590 CE1 HIS A 38 -14.630 0.944 12.899 1.00 0.00 C ATOM 591 NE2 HIS A 38 -13.736 0.457 12.056 1.00 0.00 N ATOM 0 H HIS A 38 -13.340 3.291 8.581 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.971 3.671 9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.154 4.295 10.754 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.611 4.660 11.657 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.716 1.449 10.382 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.082 0.381 13.702 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.356 -0.489 12.040 1.00 0.00 H new ATOM 599 N ASN A 39 -14.085 5.967 8.411 1.00 0.00 N ATOM 600 CA ASN A 39 -14.121 7.338 7.925 1.00 0.00 C ATOM 601 C ASN A 39 -14.292 7.421 6.409 1.00 0.00 C ATOM 602 O ASN A 39 -13.445 6.967 5.628 1.00 0.00 O ATOM 603 CB ASN A 39 -12.973 8.245 8.485 1.00 0.00 C ATOM 604 CG ASN A 39 -11.514 7.894 8.141 1.00 0.00 C ATOM 605 OD1 ASN A 39 -10.621 8.065 8.969 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.225 7.498 6.938 1.00 0.00 N ATOM 0 H ASN A 39 -13.267 5.428 8.127 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.027 7.772 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.158 9.262 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.062 8.257 9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.254 7.327 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.969 7.358 6.255 1.00 0.00 H new ATOM 613 N ARG A 40 -15.371 8.031 6.000 1.00 0.00 N ATOM 614 CA ARG A 40 -15.738 8.100 4.592 1.00 0.00 C ATOM 615 C ARG A 40 -14.907 9.101 3.822 1.00 0.00 C ATOM 616 O ARG A 40 -14.826 9.024 2.605 1.00 0.00 O ATOM 617 CB ARG A 40 -17.255 8.348 4.342 1.00 0.00 C ATOM 618 CG ARG A 40 -17.867 9.601 4.985 1.00 0.00 C ATOM 619 CD ARG A 40 -18.228 9.366 6.444 1.00 0.00 C ATOM 620 NE ARG A 40 -18.823 10.531 7.071 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.227 10.589 8.345 1.00 0.00 C ATOM 622 NH1 ARG A 40 -19.084 9.530 9.149 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.770 11.708 8.813 1.00 0.00 N ATOM 0 H ARG A 40 -16.028 8.498 6.625 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.516 7.104 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.417 8.405 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.805 7.478 4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.161 10.428 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.759 9.895 4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.922 8.529 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.331 9.081 6.994 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.942 11.367 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.665 8.671 8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.394 9.581 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.877 12.517 8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.080 11.757 9.784 1.00 0.00 H new ATOM 637 N ALA A 41 -14.272 10.021 4.520 1.00 0.00 N ATOM 638 CA ALA A 41 -13.462 11.032 3.864 1.00 0.00 C ATOM 639 C ALA A 41 -12.322 10.408 3.078 1.00 0.00 C ATOM 640 O ALA A 41 -12.185 10.638 1.878 1.00 0.00 O ATOM 641 CB ALA A 41 -12.964 12.064 4.846 1.00 0.00 C ATOM 0 H ALA A 41 -14.300 10.091 5.537 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.101 11.550 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.361 12.805 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.814 12.556 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.356 11.577 5.609 1.00 0.00 H new ATOM 647 N ALA A 42 -11.542 9.585 3.732 1.00 0.00 N ATOM 648 CA ALA A 42 -10.458 8.900 3.057 1.00 0.00 C ATOM 649 C ALA A 42 -10.997 7.793 2.137 1.00 0.00 C ATOM 650 O ALA A 42 -10.337 7.388 1.195 1.00 0.00 O ATOM 651 CB ALA A 42 -9.467 8.342 4.066 1.00 0.00 C ATOM 0 H ALA A 42 -11.632 9.371 4.725 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.932 9.623 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.661 7.831 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.054 9.158 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.975 7.636 4.723 1.00 0.00 H new ATOM 657 N ALA A 43 -12.220 7.337 2.400 1.00 0.00 N ATOM 658 CA ALA A 43 -12.838 6.287 1.595 1.00 0.00 C ATOM 659 C ALA A 43 -13.163 6.800 0.198 1.00 0.00 C ATOM 660 O ALA A 43 -13.059 6.068 -0.791 1.00 0.00 O ATOM 661 CB ALA A 43 -14.090 5.742 2.268 1.00 0.00 C ATOM 0 H ALA A 43 -12.802 7.679 3.165 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.121 5.471 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.528 4.962 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.828 5.325 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.812 6.548 2.401 1.00 0.00 H new ATOM 667 N GLU A 44 -13.549 8.057 0.112 1.00 0.00 N ATOM 668 CA GLU A 44 -13.842 8.678 -1.168 1.00 0.00 C ATOM 669 C GLU A 44 -12.551 8.959 -1.926 1.00 0.00 C ATOM 670 O GLU A 44 -12.514 8.905 -3.156 1.00 0.00 O ATOM 671 CB GLU A 44 -14.651 9.962 -0.979 1.00 0.00 C ATOM 672 CG GLU A 44 -16.007 9.737 -0.327 1.00 0.00 C ATOM 673 CD GLU A 44 -16.868 8.769 -1.102 1.00 0.00 C ATOM 674 OE1 GLU A 44 -17.479 9.178 -2.109 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.944 7.587 -0.736 1.00 0.00 O ATOM 0 H GLU A 44 -13.668 8.673 0.916 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.445 7.986 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.075 10.658 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.798 10.435 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.862 9.359 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.527 10.691 -0.239 1.00 0.00 H new ATOM 682 N PHE A 45 -11.482 9.189 -1.174 1.00 0.00 N ATOM 683 CA PHE A 45 -10.160 9.452 -1.739 1.00 0.00 C ATOM 684 C PHE A 45 -9.655 8.208 -2.479 1.00 0.00 C ATOM 685 O PHE A 45 -8.933 8.304 -3.479 1.00 0.00 O ATOM 686 CB PHE A 45 -9.189 9.875 -0.617 1.00 0.00 C ATOM 687 CG PHE A 45 -7.805 10.250 -1.075 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.573 11.467 -1.694 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.733 9.395 -0.869 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.303 11.825 -2.099 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.461 9.746 -1.275 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.245 10.963 -1.890 1.00 0.00 C ATOM 0 H PHE A 45 -11.505 9.199 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.222 10.269 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.621 10.723 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.108 9.057 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.397 12.145 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.895 8.443 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.137 12.778 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.636 9.069 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.250 11.240 -2.207 1.00 0.00 H new ATOM 702 N VAL A 46 -10.090 7.041 -2.006 1.00 0.00 N ATOM 703 CA VAL A 46 -9.758 5.768 -2.634 1.00 0.00 C ATOM 704 C VAL A 46 -10.342 5.720 -4.059 1.00 0.00 C ATOM 705 O VAL A 46 -9.769 5.118 -4.963 1.00 0.00 O ATOM 706 CB VAL A 46 -10.294 4.562 -1.806 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.884 3.234 -2.429 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.803 4.632 -0.373 1.00 0.00 C ATOM 0 H VAL A 46 -10.681 6.954 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.672 5.690 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.382 4.622 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.274 2.414 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.287 3.166 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.797 3.171 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.190 3.780 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.713 4.610 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.153 5.556 0.087 1.00 0.00 H new ATOM 718 N GLY A 47 -11.461 6.393 -4.255 1.00 0.00 N ATOM 719 CA GLY A 47 -12.082 6.433 -5.561 1.00 0.00 C ATOM 720 C GLY A 47 -11.265 7.266 -6.515 1.00 0.00 C ATOM 721 O GLY A 47 -11.010 6.860 -7.653 1.00 0.00 O ATOM 0 H GLY A 47 -11.954 6.915 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.185 5.420 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.087 6.847 -5.479 1.00 0.00 H new ATOM 725 N SER A 48 -10.802 8.394 -6.023 1.00 0.00 N ATOM 726 CA SER A 48 -10.007 9.330 -6.794 1.00 0.00 C ATOM 727 C SER A 48 -8.633 8.737 -7.208 1.00 0.00 C ATOM 728 O SER A 48 -8.086 9.092 -8.247 1.00 0.00 O ATOM 729 CB SER A 48 -9.839 10.612 -5.983 1.00 0.00 C ATOM 730 OG SER A 48 -11.121 11.100 -5.567 1.00 0.00 O ATOM 0 H SER A 48 -10.969 8.693 -5.062 1.00 0.00 H new ATOM 0 HA SER A 48 -10.529 9.549 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.213 10.421 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.330 11.367 -6.582 1.00 0.00 H new ATOM 0 HG SER A 48 -11.005 11.922 -5.046 1.00 0.00 H new ATOM 736 N VAL A 49 -8.090 7.814 -6.410 1.00 0.00 N ATOM 737 CA VAL A 49 -6.796 7.205 -6.749 1.00 0.00 C ATOM 738 C VAL A 49 -6.963 6.026 -7.714 1.00 0.00 C ATOM 739 O VAL A 49 -5.986 5.438 -8.181 1.00 0.00 O ATOM 740 CB VAL A 49 -5.962 6.776 -5.504 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.667 7.969 -4.617 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.650 5.681 -4.715 1.00 0.00 C ATOM 0 H VAL A 49 -8.512 7.477 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.229 7.991 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.018 6.372 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.084 7.646 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.101 8.710 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.604 8.410 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.036 5.411 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.621 6.036 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.789 4.807 -5.351 1.00 0.00 H new ATOM 752 N ASN A 50 -8.197 5.685 -7.997 1.00 0.00 N ATOM 753 CA ASN A 50 -8.502 4.636 -8.959 1.00 0.00 C ATOM 754 C ASN A 50 -8.990 5.254 -10.245 1.00 0.00 C ATOM 755 O ASN A 50 -8.443 4.989 -11.327 1.00 0.00 O ATOM 756 CB ASN A 50 -9.535 3.628 -8.421 1.00 0.00 C ATOM 757 CG ASN A 50 -8.958 2.573 -7.488 1.00 0.00 C ATOM 758 OD1 ASN A 50 -8.556 1.504 -7.925 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.942 2.835 -6.202 1.00 0.00 N ATOM 0 H ASN A 50 -9.018 6.119 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.583 4.079 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.316 4.174 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.010 3.128 -9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.589 2.140 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.282 3.734 -5.860 1.00 0.00 H new ATOM 766 N GLY A 51 -9.988 6.104 -10.128 1.00 0.00 N ATOM 767 CA GLY A 51 -10.548 6.763 -11.276 1.00 0.00 C ATOM 768 C GLY A 51 -12.039 6.927 -11.135 1.00 0.00 C ATOM 769 O GLY A 51 -12.610 7.949 -11.526 1.00 0.00 O ATOM 0 H GLY A 51 -10.427 6.352 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.082 7.740 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.326 6.187 -12.174 1.00 0.00 H new ATOM 773 N GLY A 52 -12.670 5.933 -10.573 1.00 0.00 N ATOM 774 CA GLY A 52 -14.093 5.969 -10.389 1.00 0.00 C ATOM 775 C GLY A 52 -14.549 4.883 -9.464 1.00 0.00 C ATOM 776 O GLY A 52 -15.310 5.128 -8.530 1.00 0.00 O ATOM 0 H GLY A 52 -12.218 5.084 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.386 6.939 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.590 5.861 -11.353 1.00 0.00 H new ATOM 780 N ASN A 53 -14.078 3.682 -9.704 1.00 0.00 N ATOM 781 CA ASN A 53 -14.429 2.550 -8.857 1.00 0.00 C ATOM 782 C ASN A 53 -13.434 2.467 -7.715 1.00 0.00 C ATOM 783 O ASN A 53 -12.501 3.273 -7.645 1.00 0.00 O ATOM 784 CB ASN A 53 -14.448 1.215 -9.649 1.00 0.00 C ATOM 785 CG ASN A 53 -13.077 0.728 -10.116 1.00 0.00 C ATOM 786 OD1 ASN A 53 -12.176 1.508 -10.402 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.918 -0.568 -10.207 1.00 0.00 N ATOM 0 H ASN A 53 -13.451 3.456 -10.476 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.436 2.707 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.898 0.444 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.092 1.335 -10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.027 -0.952 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.685 -1.194 -9.962 1.00 0.00 H new ATOM 794 N ARG A 54 -13.619 1.540 -6.815 1.00 0.00 N ATOM 795 CA ARG A 54 -12.695 1.398 -5.721 1.00 0.00 C ATOM 796 C ARG A 54 -12.151 0.004 -5.596 1.00 0.00 C ATOM 797 O ARG A 54 -12.897 -0.966 -5.379 1.00 0.00 O ATOM 798 CB ARG A 54 -13.282 1.882 -4.396 1.00 0.00 C ATOM 799 CG ARG A 54 -13.383 3.385 -4.304 1.00 0.00 C ATOM 800 CD ARG A 54 -13.914 3.843 -2.968 1.00 0.00 C ATOM 801 NE ARG A 54 -15.317 3.485 -2.760 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.174 4.214 -2.044 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.755 5.328 -1.454 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.435 3.827 -1.917 1.00 0.00 N ATOM 0 H ARG A 54 -14.394 0.877 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.854 2.048 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.274 1.449 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.664 1.515 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.399 3.824 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.035 3.752 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.311 3.404 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.805 4.925 -2.891 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.661 2.626 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.783 5.621 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.405 5.890 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.753 2.969 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.088 4.387 -1.369 1.00 0.00 H new ATOM 818 N THR A 55 -10.871 -0.092 -5.770 1.00 0.00 N ATOM 819 CA THR A 55 -10.145 -1.310 -5.584 1.00 0.00 C ATOM 820 C THR A 55 -9.538 -1.248 -4.194 1.00 0.00 C ATOM 821 O THR A 55 -9.263 -0.144 -3.707 1.00 0.00 O ATOM 822 CB THR A 55 -9.010 -1.381 -6.604 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.535 -1.072 -7.907 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.412 -2.775 -6.641 1.00 0.00 C ATOM 0 H THR A 55 -10.286 0.694 -6.053 1.00 0.00 H new ATOM 0 HA THR A 55 -10.795 -2.176 -5.705 1.00 0.00 H new ATOM 0 HB THR A 55 -8.236 -0.668 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.287 -0.156 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.605 -2.806 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.018 -3.028 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.182 -3.494 -6.920 1.00 0.00 H new ATOM 832 N VAL A 56 -9.329 -2.380 -3.549 1.00 0.00 N ATOM 833 CA VAL A 56 -8.784 -2.326 -2.219 1.00 0.00 C ATOM 834 C VAL A 56 -7.325 -2.114 -2.177 1.00 0.00 C ATOM 835 O VAL A 56 -6.924 -1.025 -1.797 1.00 0.00 O ATOM 836 CB VAL A 56 -9.094 -3.501 -1.298 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.560 -3.199 0.097 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.524 -3.696 -1.207 1.00 0.00 C ATOM 0 H VAL A 56 -9.522 -3.313 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.317 -1.456 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.625 -4.399 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.779 -4.036 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.482 -3.047 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.037 -2.297 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.735 -4.537 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.989 -2.795 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.927 -3.903 -2.199 1.00 0.00 H new ATOM 848 N PRO A 57 -6.445 -3.108 -2.604 1.00 0.00 N ATOM 849 CA PRO A 57 -5.107 -3.020 -2.225 1.00 0.00 C ATOM 850 C PRO A 57 -4.356 -1.966 -3.036 1.00 0.00 C ATOM 851 O PRO A 57 -3.799 -2.224 -4.120 1.00 0.00 O ATOM 852 CB PRO A 57 -4.525 -4.399 -2.390 1.00 0.00 C ATOM 853 CG PRO A 57 -5.329 -5.004 -3.493 1.00 0.00 C ATOM 854 CD PRO A 57 -6.635 -4.222 -3.571 1.00 0.00 C ATOM 0 HA PRO A 57 -5.014 -2.692 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.466 -4.357 -2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.608 -4.979 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.789 -4.949 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.522 -6.059 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.817 -3.849 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.489 -4.843 -3.302 1.00 0.00 H new ATOM 862 N THR A 58 -4.442 -0.817 -2.552 1.00 0.00 N ATOM 863 CA THR A 58 -3.926 0.316 -3.131 1.00 0.00 C ATOM 864 C THR A 58 -2.966 0.904 -2.121 1.00 0.00 C ATOM 865 O THR A 58 -3.317 1.084 -0.951 1.00 0.00 O ATOM 866 CB THR A 58 -5.123 1.245 -3.428 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.073 0.534 -4.263 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.714 2.509 -4.134 1.00 0.00 C ATOM 0 H THR A 58 -4.915 -0.631 -1.667 1.00 0.00 H new ATOM 0 HA THR A 58 -3.389 0.144 -4.064 1.00 0.00 H new ATOM 0 HB THR A 58 -5.563 1.527 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.597 -0.082 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.595 3.124 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.009 3.061 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.242 2.259 -5.084 1.00 0.00 H new ATOM 876 N VAL A 59 -1.761 1.105 -2.538 1.00 0.00 N ATOM 877 CA VAL A 59 -0.719 1.561 -1.660 1.00 0.00 C ATOM 878 C VAL A 59 -0.226 2.941 -2.071 1.00 0.00 C ATOM 879 O VAL A 59 -0.082 3.231 -3.261 1.00 0.00 O ATOM 880 CB VAL A 59 0.463 0.535 -1.632 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.952 0.237 -3.026 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.609 1.004 -0.736 1.00 0.00 C ATOM 0 H VAL A 59 -1.463 0.959 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.131 1.638 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 59 0.077 -0.389 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.773 -0.478 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.137 -0.184 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.300 1.158 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.407 0.261 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.993 1.955 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.245 1.131 0.284 1.00 0.00 H new ATOM 892 N LYS A 60 -0.048 3.793 -1.097 1.00 0.00 N ATOM 893 CA LYS A 60 0.519 5.093 -1.302 1.00 0.00 C ATOM 894 C LYS A 60 1.887 5.130 -0.633 1.00 0.00 C ATOM 895 O LYS A 60 2.012 4.833 0.565 1.00 0.00 O ATOM 896 CB LYS A 60 -0.410 6.190 -0.743 1.00 0.00 C ATOM 897 CG LYS A 60 0.064 7.623 -1.007 1.00 0.00 C ATOM 898 CD LYS A 60 -0.997 8.658 -0.619 1.00 0.00 C ATOM 899 CE LYS A 60 -1.255 8.722 0.888 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.085 9.229 1.637 1.00 0.00 N ATOM 0 H LYS A 60 -0.297 3.598 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 60 0.632 5.287 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.402 6.064 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.512 6.048 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.978 7.812 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.311 7.735 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.681 9.641 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.930 8.422 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.113 9.366 1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.514 7.728 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.340 9.351 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.698 8.549 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.210 10.144 1.241 1.00 0.00 H new ATOM 914 N PHE A 61 2.893 5.442 -1.414 1.00 0.00 N ATOM 915 CA PHE A 61 4.275 5.488 -0.952 1.00 0.00 C ATOM 916 C PHE A 61 4.646 6.881 -0.486 1.00 0.00 C ATOM 917 O PHE A 61 3.862 7.821 -0.642 1.00 0.00 O ATOM 918 CB PHE A 61 5.226 5.053 -2.066 1.00 0.00 C ATOM 919 CG PHE A 61 5.091 3.615 -2.462 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.125 3.211 -3.363 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.928 2.669 -1.921 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.004 1.885 -3.712 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.809 1.344 -2.263 1.00 0.00 C ATOM 924 CZ PHE A 61 4.846 0.948 -3.161 1.00 0.00 C ATOM 0 H PHE A 61 2.782 5.675 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 61 4.367 4.801 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.051 5.677 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.252 5.235 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.459 3.942 -3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.690 2.971 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.247 1.580 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.473 0.612 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.752 -0.093 -3.432 1.00 0.00 H new ATOM 934 N ALA A 62 5.858 7.023 0.043 1.00 0.00 N ATOM 935 CA ALA A 62 6.348 8.301 0.576 1.00 0.00 C ATOM 936 C ALA A 62 6.525 9.357 -0.513 1.00 0.00 C ATOM 937 O ALA A 62 6.498 10.548 -0.239 1.00 0.00 O ATOM 938 CB ALA A 62 7.633 8.110 1.361 1.00 0.00 C ATOM 0 H ALA A 62 6.531 6.260 0.117 1.00 0.00 H new ATOM 0 HA ALA A 62 5.582 8.672 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.972 9.073 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.453 7.431 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.398 7.688 0.709 1.00 0.00 H new ATOM 944 N ASP A 63 6.686 8.912 -1.755 1.00 0.00 N ATOM 945 CA ASP A 63 6.804 9.839 -2.890 1.00 0.00 C ATOM 946 C ASP A 63 5.440 10.301 -3.359 1.00 0.00 C ATOM 947 O ASP A 63 5.320 11.071 -4.316 1.00 0.00 O ATOM 948 CB ASP A 63 7.585 9.235 -4.076 1.00 0.00 C ATOM 949 CG ASP A 63 9.073 9.147 -3.837 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.674 10.154 -3.422 1.00 0.00 O ATOM 951 OD2 ASP A 63 9.674 8.070 -4.045 1.00 0.00 O ATOM 0 H ASP A 63 6.738 7.925 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 63 7.371 10.695 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.199 8.237 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.403 9.839 -4.965 1.00 0.00 H new ATOM 956 N GLY A 64 4.406 9.817 -2.698 1.00 0.00 N ATOM 957 CA GLY A 64 3.051 10.181 -3.048 1.00 0.00 C ATOM 958 C GLY A 64 2.492 9.295 -4.129 1.00 0.00 C ATOM 959 O GLY A 64 1.351 9.453 -4.542 1.00 0.00 O ATOM 0 H GLY A 64 4.481 9.169 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.418 10.117 -2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.029 11.218 -3.382 1.00 0.00 H new ATOM 963 N SER A 65 3.301 8.366 -4.587 1.00 0.00 N ATOM 964 CA SER A 65 2.918 7.439 -5.619 1.00 0.00 C ATOM 965 C SER A 65 1.851 6.485 -5.085 1.00 0.00 C ATOM 966 O SER A 65 2.006 5.929 -3.989 1.00 0.00 O ATOM 967 CB SER A 65 4.151 6.640 -6.029 1.00 0.00 C ATOM 968 OG SER A 65 5.255 7.507 -6.252 1.00 0.00 O ATOM 0 H SER A 65 4.254 8.234 -4.247 1.00 0.00 H new ATOM 0 HA SER A 65 2.515 7.980 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.399 5.918 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.939 6.072 -6.935 1.00 0.00 H new ATOM 0 HG SER A 65 6.038 6.979 -6.513 1.00 0.00 H new ATOM 974 N THR A 66 0.783 6.329 -5.816 1.00 0.00 N ATOM 975 CA THR A 66 -0.242 5.404 -5.452 1.00 0.00 C ATOM 976 C THR A 66 -0.292 4.301 -6.488 1.00 0.00 C ATOM 977 O THR A 66 -0.205 4.573 -7.690 1.00 0.00 O ATOM 978 CB THR A 66 -1.612 6.126 -5.391 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.735 7.022 -6.517 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.767 6.910 -4.107 1.00 0.00 C ATOM 0 H THR A 66 0.603 6.841 -6.679 1.00 0.00 H new ATOM 0 HA THR A 66 -0.025 4.984 -4.470 1.00 0.00 H new ATOM 0 HB THR A 66 -2.395 5.369 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.602 7.477 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.739 7.404 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.696 6.232 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.978 7.660 -4.041 1.00 0.00 H new ATOM 988 N LEU A 67 -0.436 3.082 -6.047 1.00 0.00 N ATOM 989 CA LEU A 67 -0.525 1.955 -6.949 1.00 0.00 C ATOM 990 C LEU A 67 -1.643 1.042 -6.538 1.00 0.00 C ATOM 991 O LEU A 67 -1.683 0.558 -5.400 1.00 0.00 O ATOM 992 CB LEU A 67 0.786 1.139 -7.029 1.00 0.00 C ATOM 993 CG LEU A 67 2.049 1.818 -7.600 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.197 0.824 -7.649 1.00 0.00 C ATOM 995 CD2 LEU A 67 1.812 2.392 -8.997 1.00 0.00 C ATOM 0 H LEU A 67 -0.495 2.837 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.717 2.372 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.023 0.795 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.587 0.252 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 67 2.300 2.646 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.084 1.312 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.409 0.463 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.923 -0.017 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.728 2.860 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.522 1.590 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.017 3.136 -8.954 1.00 0.00 H new ATOM 1007 N THR A 68 -2.546 0.849 -7.430 1.00 0.00 N ATOM 1008 CA THR A 68 -3.614 -0.069 -7.268 1.00 0.00 C ATOM 1009 C THR A 68 -3.173 -1.414 -7.826 1.00 0.00 C ATOM 1010 O THR A 68 -2.777 -1.500 -8.994 1.00 0.00 O ATOM 1011 CB THR A 68 -4.848 0.441 -8.017 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.259 1.701 -7.451 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.981 -0.548 -7.942 1.00 0.00 C ATOM 0 H THR A 68 -2.562 1.342 -8.323 1.00 0.00 H new ATOM 0 HA THR A 68 -3.872 -0.174 -6.214 1.00 0.00 H new ATOM 0 HB THR A 68 -4.587 0.571 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.224 1.818 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.842 -0.156 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.670 -1.492 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.252 -0.712 -6.899 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.204 -2.426 -6.976 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.773 -3.795 -7.301 1.00 0.00 C ATOM 1023 C ASN A 69 -1.313 -3.871 -7.764 1.00 0.00 C ATOM 1024 O ASN A 69 -1.045 -4.110 -8.948 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.681 -4.521 -8.326 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.097 -4.769 -7.853 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.364 -4.881 -6.662 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.007 -4.899 -8.787 1.00 0.00 N ATOM 0 H ASN A 69 -3.535 -2.327 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.867 -4.322 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.717 -3.930 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.225 -5.478 -8.581 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.974 -5.100 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.748 -4.799 -9.769 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.347 -3.562 -6.881 1.00 0.00 N ATOM 1036 CA PRO A 70 1.061 -3.778 -7.181 1.00 0.00 C ATOM 1037 C PRO A 70 1.460 -5.233 -6.873 1.00 0.00 C ATOM 1038 O PRO A 70 0.619 -6.048 -6.435 1.00 0.00 O ATOM 1039 CB PRO A 70 1.753 -2.830 -6.209 1.00 0.00 C ATOM 1040 CG PRO A 70 0.871 -2.861 -5.018 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.524 -2.906 -5.564 1.00 0.00 C ATOM 0 HA PRO A 70 1.315 -3.603 -8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.763 -3.164 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.839 -1.824 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.079 -3.732 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.021 -1.980 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.192 -3.474 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.950 -1.908 -5.665 1.00 0.00 H new ATOM 1049 N SER A 71 2.708 -5.554 -7.078 1.00 0.00 N ATOM 1050 CA SER A 71 3.197 -6.876 -6.786 1.00 0.00 C ATOM 1051 C SER A 71 4.169 -6.784 -5.600 1.00 0.00 C ATOM 1052 O SER A 71 4.825 -5.755 -5.424 1.00 0.00 O ATOM 1053 CB SER A 71 3.892 -7.430 -8.014 1.00 0.00 C ATOM 1054 OG SER A 71 3.147 -7.142 -9.187 1.00 0.00 O ATOM 0 H SER A 71 3.410 -4.914 -7.449 1.00 0.00 H new ATOM 0 HA SER A 71 2.377 -7.545 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.890 -7.001 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.016 -8.508 -7.912 1.00 0.00 H new ATOM 0 HG SER A 71 3.566 -6.397 -9.666 1.00 0.00 H new ATOM 1060 N ALA A 72 4.261 -7.848 -4.819 1.00 0.00 N ATOM 1061 CA ALA A 72 5.045 -7.888 -3.572 1.00 0.00 C ATOM 1062 C ALA A 72 6.512 -7.457 -3.732 1.00 0.00 C ATOM 1063 O ALA A 72 7.046 -6.724 -2.884 1.00 0.00 O ATOM 1064 CB ALA A 72 4.962 -9.273 -2.946 1.00 0.00 C ATOM 0 H ALA A 72 3.789 -8.728 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 72 4.594 -7.149 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.545 -9.292 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.922 -9.509 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.360 -10.011 -3.642 1.00 0.00 H new ATOM 1070 N ASP A 73 7.162 -7.890 -4.795 1.00 0.00 N ATOM 1071 CA ASP A 73 8.578 -7.548 -5.003 1.00 0.00 C ATOM 1072 C ASP A 73 8.696 -6.133 -5.527 1.00 0.00 C ATOM 1073 O ASP A 73 9.612 -5.396 -5.160 1.00 0.00 O ATOM 1074 CB ASP A 73 9.266 -8.531 -5.956 1.00 0.00 C ATOM 1075 CG ASP A 73 10.772 -8.325 -6.047 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.235 -7.556 -6.892 1.00 0.00 O ATOM 1077 OD2 ASP A 73 11.522 -8.978 -5.270 1.00 0.00 O ATOM 0 H ASP A 73 6.750 -8.471 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 73 9.085 -7.619 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.065 -9.550 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.831 -8.428 -6.950 1.00 0.00 H new ATOM 1082 N GLU A 74 7.728 -5.737 -6.342 1.00 0.00 N ATOM 1083 CA GLU A 74 7.690 -4.390 -6.894 1.00 0.00 C ATOM 1084 C GLU A 74 7.489 -3.366 -5.778 1.00 0.00 C ATOM 1085 O GLU A 74 8.072 -2.283 -5.807 1.00 0.00 O ATOM 1086 CB GLU A 74 6.597 -4.239 -7.947 1.00 0.00 C ATOM 1087 CG GLU A 74 6.746 -5.152 -9.161 1.00 0.00 C ATOM 1088 CD GLU A 74 5.758 -4.815 -10.263 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.556 -5.157 -10.153 1.00 0.00 O ATOM 1090 OE2 GLU A 74 6.160 -4.161 -11.255 1.00 0.00 O ATOM 0 H GLU A 74 6.955 -6.333 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 74 8.648 -4.209 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.632 -4.435 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.582 -3.204 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.761 -5.072 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.603 -6.188 -8.853 1.00 0.00 H new ATOM 1097 N VAL A 75 6.667 -3.726 -4.786 1.00 0.00 N ATOM 1098 CA VAL A 75 6.447 -2.879 -3.615 1.00 0.00 C ATOM 1099 C VAL A 75 7.766 -2.687 -2.878 1.00 0.00 C ATOM 1100 O VAL A 75 8.105 -1.589 -2.477 1.00 0.00 O ATOM 1101 CB VAL A 75 5.386 -3.479 -2.633 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.258 -2.632 -1.368 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.033 -3.585 -3.306 1.00 0.00 C ATOM 0 H VAL A 75 6.143 -4.601 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 75 6.060 -1.923 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 75 5.729 -4.475 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.513 -3.076 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.220 -2.594 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.949 -1.622 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.310 -4.004 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.703 -2.594 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.111 -4.233 -4.179 1.00 0.00 H new ATOM 1113 N LYS A 76 8.516 -3.765 -2.760 1.00 0.00 N ATOM 1114 CA LYS A 76 9.808 -3.755 -2.095 1.00 0.00 C ATOM 1115 C LYS A 76 10.801 -2.826 -2.829 1.00 0.00 C ATOM 1116 O LYS A 76 11.533 -2.065 -2.198 1.00 0.00 O ATOM 1117 CB LYS A 76 10.348 -5.188 -2.011 1.00 0.00 C ATOM 1118 CG LYS A 76 11.728 -5.320 -1.382 1.00 0.00 C ATOM 1119 CD LYS A 76 12.204 -6.763 -1.344 1.00 0.00 C ATOM 1120 CE LYS A 76 12.298 -7.347 -2.746 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.821 -8.722 -2.754 1.00 0.00 N ATOM 0 H LYS A 76 8.246 -4.679 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 76 9.687 -3.364 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.645 -5.792 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.382 -5.607 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.441 -4.718 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.704 -4.920 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.179 -6.815 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.517 -7.360 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.310 -7.336 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.942 -6.714 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.500 -9.211 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.861 -8.698 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.473 -9.231 -1.917 1.00 0.00 H new ATOM 1135 N ALA A 77 10.787 -2.865 -4.150 1.00 0.00 N ATOM 1136 CA ALA A 77 11.676 -2.019 -4.960 1.00 0.00 C ATOM 1137 C ALA A 77 11.276 -0.540 -4.866 1.00 0.00 C ATOM 1138 O ALA A 77 12.111 0.356 -4.940 1.00 0.00 O ATOM 1139 CB ALA A 77 11.677 -2.482 -6.403 1.00 0.00 C ATOM 0 H ALA A 77 10.173 -3.471 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 77 12.686 -2.116 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.340 -1.845 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.026 -3.513 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.666 -2.421 -6.805 1.00 0.00 H new ATOM 1145 N LYS A 78 10.005 -0.290 -4.699 1.00 0.00 N ATOM 1146 CA LYS A 78 9.528 1.065 -4.514 1.00 0.00 C ATOM 1147 C LYS A 78 9.793 1.506 -3.085 1.00 0.00 C ATOM 1148 O LYS A 78 10.033 2.679 -2.818 1.00 0.00 O ATOM 1149 CB LYS A 78 8.045 1.156 -4.849 1.00 0.00 C ATOM 1150 CG LYS A 78 7.713 0.899 -6.309 1.00 0.00 C ATOM 1151 CD LYS A 78 8.233 2.008 -7.202 1.00 0.00 C ATOM 1152 CE LYS A 78 7.944 1.727 -8.663 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.647 0.527 -9.156 1.00 0.00 N ATOM 0 H LYS A 78 9.276 -1.004 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 78 10.063 1.732 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.502 0.439 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.684 2.148 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.146 -0.052 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.633 0.812 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.773 2.954 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.308 2.119 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.870 1.597 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.240 2.589 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.600 0.499 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.642 0.560 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.195 -0.325 -8.766 1.00 0.00 H new ATOM 1167 N LEU A 79 9.790 0.551 -2.188 1.00 0.00 N ATOM 1168 CA LEU A 79 10.041 0.797 -0.787 1.00 0.00 C ATOM 1169 C LEU A 79 11.487 1.268 -0.603 1.00 0.00 C ATOM 1170 O LEU A 79 11.755 2.215 0.139 1.00 0.00 O ATOM 1171 CB LEU A 79 9.796 -0.484 0.032 1.00 0.00 C ATOM 1172 CG LEU A 79 9.824 -0.385 1.559 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.664 0.428 2.132 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.842 -1.769 2.159 1.00 0.00 C ATOM 0 H LEU A 79 9.612 -0.428 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 79 9.360 1.571 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.824 -0.883 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.544 -1.218 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 79 10.735 0.151 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.743 0.459 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.701 1.443 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.719 -0.037 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.862 -1.694 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.949 -2.312 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.728 -2.303 1.816 1.00 0.00 H new ATOM 1186 N VAL A 80 12.410 0.633 -1.323 1.00 0.00 N ATOM 1187 CA VAL A 80 13.818 0.981 -1.208 1.00 0.00 C ATOM 1188 C VAL A 80 14.113 2.388 -1.718 1.00 0.00 C ATOM 1189 O VAL A 80 14.918 3.098 -1.121 1.00 0.00 O ATOM 1190 CB VAL A 80 14.788 -0.060 -1.853 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.611 -1.425 -1.238 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.661 -0.125 -3.363 1.00 0.00 C ATOM 0 H VAL A 80 12.208 -0.117 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 80 14.017 0.959 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 80 15.799 0.287 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.299 -2.128 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.819 -1.372 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.586 -1.763 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.359 -0.865 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.643 -0.409 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.890 0.852 -3.790 1.00 0.00 H new ATOM 1202 N LYS A 81 13.424 2.821 -2.780 1.00 0.00 N ATOM 1203 CA LYS A 81 13.678 4.152 -3.316 1.00 0.00 C ATOM 1204 C LYS A 81 13.116 5.217 -2.405 1.00 0.00 C ATOM 1205 O LYS A 81 13.714 6.287 -2.251 1.00 0.00 O ATOM 1206 CB LYS A 81 13.161 4.349 -4.768 1.00 0.00 C ATOM 1207 CG LYS A 81 11.643 4.274 -4.946 1.00 0.00 C ATOM 1208 CD LYS A 81 11.225 4.510 -6.400 1.00 0.00 C ATOM 1209 CE LYS A 81 11.399 5.970 -6.854 1.00 0.00 C ATOM 1210 NZ LYS A 81 10.347 6.875 -6.310 1.00 0.00 N ATOM 0 H LYS A 81 12.708 2.284 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 81 14.762 4.252 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.503 5.319 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.621 3.593 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.287 3.296 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.166 5.016 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.814 3.862 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.181 4.221 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.379 6.329 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.379 6.012 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.344 7.766 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.417 6.417 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.545 7.075 -5.309 1.00 0.00 H new ATOM 1224 N ILE A 82 11.994 4.923 -1.767 1.00 0.00 N ATOM 1225 CA ILE A 82 11.362 5.901 -0.916 1.00 0.00 C ATOM 1226 C ILE A 82 12.087 6.021 0.422 1.00 0.00 C ATOM 1227 O ILE A 82 12.172 7.107 1.000 1.00 0.00 O ATOM 1228 CB ILE A 82 9.803 5.691 -0.778 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.387 4.395 -0.037 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.161 5.709 -2.151 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.417 4.474 1.478 1.00 0.00 C ATOM 0 H ILE A 82 11.513 4.026 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 82 11.460 6.868 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 82 9.450 6.518 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.378 4.125 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.046 3.587 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.085 5.564 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.355 6.668 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.581 4.908 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.109 3.517 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.428 4.708 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.735 5.254 1.815 1.00 0.00 H new ATOM 1243 N ALA A 83 12.662 4.920 0.876 1.00 0.00 N ATOM 1244 CA ALA A 83 13.425 4.919 2.111 1.00 0.00 C ATOM 1245 C ALA A 83 14.811 5.505 1.872 1.00 0.00 C ATOM 1246 O ALA A 83 15.281 6.360 2.630 1.00 0.00 O ATOM 1247 CB ALA A 83 13.526 3.511 2.679 1.00 0.00 C ATOM 0 H ALA A 83 12.614 4.015 0.407 1.00 0.00 H new ATOM 0 HA ALA A 83 12.907 5.541 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.102 3.532 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.526 3.128 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.023 2.862 1.958 1.00 0.00 H new