USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 23 ASN : amide:sc= 0.0261 X(o=0.036,f=-0.018) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -178:sc= 0.0098 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 2:sc= 0.558 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.5) USER MOD Single : A 19 THR OG1 : rot -15:sc= 1.25 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 43:sc= 1.2 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -3.115 -3.319 -8.282 1.00 0.00 N ATOM 40 CA LYS A 3 -3.361 -4.116 -9.545 1.00 0.00 C ATOM 41 C LYS A 3 -2.342 -3.558 -10.649 1.00 0.00 C ATOM 42 O LYS A 3 -2.713 -2.637 -11.372 1.00 0.00 O ATOM 43 CB LYS A 3 -4.867 -3.941 -10.008 1.00 0.00 C ATOM 44 CG LYS A 3 -5.997 -4.287 -9.026 1.00 0.00 C ATOM 45 CD LYS A 3 -6.295 -5.832 -8.972 1.00 0.00 C ATOM 46 CE LYS A 3 -7.471 -6.243 -7.971 1.00 0.00 C ATOM 47 NZ LYS A 3 -7.447 -7.700 -8.032 1.00 0.00 N ATOM 0 HA LYS A 3 -3.197 -5.182 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.000 -2.902 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.009 -4.551 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.728 -3.937 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.903 -3.755 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.551 -6.176 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.385 -6.355 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.290 -5.877 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.433 -5.840 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.184 -8.086 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.624 -8.010 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.516 -8.045 -7.722 1.00 0.00 H new ATOM 60 N CYS A 4 -1.142 -4.123 -10.718 1.00 0.00 N ATOM 61 CA CYS A 4 0.017 -3.593 -11.501 1.00 0.00 C ATOM 62 C CYS A 4 0.340 -4.355 -12.854 1.00 0.00 C ATOM 63 O CYS A 4 -0.430 -5.270 -13.213 1.00 0.00 O ATOM 64 CB CYS A 4 1.123 -3.581 -10.380 1.00 0.00 C ATOM 65 SG CYS A 4 0.584 -2.361 -9.099 1.00 0.00 S ATOM 0 H CYS A 4 -0.921 -4.988 -10.224 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.138 -2.614 -11.954 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.239 -4.573 -9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.091 -3.301 -10.796 1.00 0.00 H new ATOM 70 N PRO A 5 1.311 -3.970 -13.765 1.00 0.00 N ATOM 71 CA PRO A 5 2.411 -3.046 -13.436 1.00 0.00 C ATOM 72 C PRO A 5 2.190 -1.534 -13.099 1.00 0.00 C ATOM 73 O PRO A 5 3.137 -0.868 -12.721 1.00 0.00 O ATOM 74 CB PRO A 5 3.242 -3.229 -14.754 1.00 0.00 C ATOM 75 CG PRO A 5 2.949 -4.580 -15.337 1.00 0.00 C ATOM 76 CD PRO A 5 1.451 -4.759 -15.039 1.00 0.00 C ATOM 0 HA PRO A 5 2.823 -3.302 -12.460 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.988 -2.448 -15.470 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.307 -3.134 -14.543 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.156 -4.613 -16.407 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.551 -5.361 -14.872 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.822 -4.366 -15.838 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.180 -5.806 -14.906 1.00 0.00 H new ATOM 84 N GLY A 6 0.982 -1.019 -13.371 1.00 0.00 N ATOM 85 CA GLY A 6 0.812 0.472 -13.415 1.00 0.00 C ATOM 86 C GLY A 6 -0.413 1.131 -12.798 1.00 0.00 C ATOM 87 O GLY A 6 -1.438 1.219 -13.435 1.00 0.00 O ATOM 0 H GLY A 6 0.140 -1.563 -13.557 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.688 0.909 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.842 0.768 -14.464 1.00 0.00 H new ATOM 91 N ARG A 7 -0.190 1.443 -11.494 1.00 0.00 N ATOM 92 CA ARG A 7 -1.323 1.688 -10.578 1.00 0.00 C ATOM 93 C ARG A 7 -0.868 2.511 -9.387 1.00 0.00 C ATOM 94 O ARG A 7 0.021 2.119 -8.630 1.00 0.00 O ATOM 95 CB ARG A 7 -1.888 0.321 -10.223 1.00 0.00 C ATOM 96 CG ARG A 7 -3.189 0.263 -9.475 1.00 0.00 C ATOM 97 CD ARG A 7 -4.415 0.392 -10.361 1.00 0.00 C ATOM 98 NE ARG A 7 -5.578 0.889 -9.609 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.735 0.338 -9.461 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.097 -0.732 -10.181 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.430 0.821 -8.471 1.00 0.00 N ATOM 0 H ARG A 7 0.733 1.528 -11.069 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.115 2.283 -11.032 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.012 -0.239 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.140 -0.205 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.243 -0.681 -8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.205 1.060 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.198 1.070 -11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.652 -0.578 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.453 1.788 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.452 -1.129 -10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.018 -1.150 -10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.045 1.569 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.359 0.451 -8.272 1.00 0.00 H new ATOM 114 N CYS A 8 -1.422 3.681 -9.187 1.00 0.00 N ATOM 115 CA CYS A 8 -1.563 4.323 -7.854 1.00 0.00 C ATOM 116 C CYS A 8 -3.015 4.828 -7.464 1.00 0.00 C ATOM 117 O CYS A 8 -3.705 4.470 -6.493 1.00 0.00 O ATOM 118 CB CYS A 8 -0.406 5.400 -7.722 1.00 0.00 C ATOM 119 SG CYS A 8 0.134 5.695 -5.984 1.00 0.00 S ATOM 0 H CYS A 8 -1.803 4.245 -9.946 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.440 3.559 -7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.452 5.073 -8.310 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.747 6.342 -8.152 1.00 0.00 H new ATOM 124 N THR A 9 -3.577 5.535 -8.441 1.00 0.00 N ATOM 125 CA THR A 9 -4.772 4.935 -9.130 1.00 0.00 C ATOM 126 C THR A 9 -4.504 4.682 -10.660 1.00 0.00 C ATOM 127 O THR A 9 -3.973 3.664 -11.127 1.00 0.00 O ATOM 128 CB THR A 9 -6.114 5.645 -8.737 1.00 0.00 C ATOM 129 OG1 THR A 9 -6.301 5.551 -7.361 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.400 5.074 -9.290 1.00 0.00 C ATOM 0 H THR A 9 -3.275 6.451 -8.771 1.00 0.00 H new ATOM 0 HA THR A 9 -4.931 3.927 -8.746 1.00 0.00 H new ATOM 0 HB THR A 9 -5.970 6.643 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.535 5.092 -6.957 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.243 5.666 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.371 5.101 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.514 4.043 -8.955 1.00 0.00 H new ATOM 138 N LEU A 10 -4.902 5.596 -11.584 1.00 0.00 N ATOM 139 CA LEU A 10 -4.738 5.491 -13.064 1.00 0.00 C ATOM 140 C LEU A 10 -3.330 5.949 -13.568 1.00 0.00 C ATOM 141 O LEU A 10 -2.448 6.261 -12.726 1.00 0.00 O ATOM 142 CB LEU A 10 -5.895 6.208 -13.821 1.00 0.00 C ATOM 143 CG LEU A 10 -6.258 7.646 -13.315 1.00 0.00 C ATOM 144 CD1 LEU A 10 -5.045 8.617 -13.401 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.488 8.218 -14.036 1.00 0.00 C ATOM 0 H LEU A 10 -5.365 6.463 -11.310 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.799 4.429 -13.300 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.628 6.272 -14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.787 5.585 -13.755 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.520 7.548 -12.261 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.341 9.602 -13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.229 8.236 -12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.713 8.694 -14.436 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.703 9.216 -13.653 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.289 8.275 -15.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.347 7.570 -13.861 1.00 0.00 H new ATOM 157 N LYS A 11 -3.090 6.061 -14.919 1.00 0.00 N ATOM 158 CA LYS A 11 -1.835 6.562 -15.486 1.00 0.00 C ATOM 159 C LYS A 11 -1.202 7.898 -14.893 1.00 0.00 C ATOM 160 O LYS A 11 -1.882 8.793 -14.426 1.00 0.00 O ATOM 161 CB LYS A 11 -2.071 6.606 -17.078 1.00 0.00 C ATOM 162 CG LYS A 11 -0.855 6.341 -17.918 1.00 0.00 C ATOM 163 CD LYS A 11 -0.033 7.569 -18.161 1.00 0.00 C ATOM 164 CE LYS A 11 1.405 7.248 -18.442 1.00 0.00 C ATOM 165 NZ LYS A 11 2.010 8.630 -18.565 1.00 0.00 N ATOM 0 H LYS A 11 -3.777 5.800 -15.626 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.043 5.876 -15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.836 5.873 -17.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.467 7.586 -17.342 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.238 5.589 -17.427 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.166 5.923 -18.876 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.450 8.122 -19.003 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.093 8.222 -17.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.861 6.672 -17.637 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.523 6.667 -19.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.027 8.547 -18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.546 9.144 -19.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.873 9.150 -17.675 1.00 0.00 H new ATOM 178 N CYS A 12 0.120 7.929 -14.883 1.00 0.00 N ATOM 179 CA CYS A 12 1.026 9.091 -14.686 1.00 0.00 C ATOM 180 C CYS A 12 0.715 10.529 -15.345 1.00 0.00 C ATOM 181 O CYS A 12 0.146 10.616 -16.437 1.00 0.00 O ATOM 182 CB CYS A 12 2.493 8.605 -14.748 1.00 0.00 C ATOM 183 SG CYS A 12 3.267 8.868 -13.108 1.00 0.00 S ATOM 0 H CYS A 12 0.654 7.071 -15.024 1.00 0.00 H new ATOM 0 HA CYS A 12 0.774 9.442 -13.685 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.531 7.550 -15.019 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.040 9.151 -15.516 1.00 0.00 H new ATOM 188 N GLY A 13 1.214 11.554 -14.660 1.00 0.00 N ATOM 189 CA GLY A 13 1.016 12.949 -15.123 1.00 0.00 C ATOM 190 C GLY A 13 2.068 13.963 -14.700 1.00 0.00 C ATOM 191 O GLY A 13 2.950 14.241 -15.477 1.00 0.00 O ATOM 0 H GLY A 13 1.750 11.462 -13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.967 12.943 -16.212 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.047 13.293 -14.762 1.00 0.00 H new ATOM 195 N LYS A 14 1.967 14.502 -13.457 1.00 0.00 N ATOM 196 CA LYS A 14 2.663 15.707 -13.012 1.00 0.00 C ATOM 197 C LYS A 14 4.216 15.455 -12.849 1.00 0.00 C ATOM 198 O LYS A 14 4.877 15.858 -13.807 1.00 0.00 O ATOM 199 CB LYS A 14 2.124 16.217 -11.652 1.00 0.00 C ATOM 200 CG LYS A 14 0.710 16.861 -11.479 1.00 0.00 C ATOM 201 CD LYS A 14 0.717 17.650 -10.116 1.00 0.00 C ATOM 202 CE LYS A 14 -0.733 18.021 -9.622 1.00 0.00 C ATOM 203 NZ LYS A 14 -0.663 19.001 -8.590 1.00 0.00 N ATOM 0 H LYS A 14 1.382 14.090 -12.730 1.00 0.00 H new ATOM 0 HA LYS A 14 2.483 16.455 -13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.163 15.370 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.844 16.952 -11.291 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.489 17.531 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.064 16.093 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.213 17.048 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.302 18.563 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.323 18.401 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.239 17.129 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.624 19.239 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.116 18.624 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.198 19.857 -8.955 1.00 0.00 H new ATOM 216 N HIS A 15 4.849 14.819 -11.883 1.00 0.00 N ATOM 217 CA HIS A 15 6.260 14.323 -12.047 1.00 0.00 C ATOM 218 C HIS A 15 6.269 12.741 -11.875 1.00 0.00 C ATOM 219 O HIS A 15 6.134 12.290 -10.727 1.00 0.00 O ATOM 220 CB HIS A 15 7.245 15.076 -11.107 1.00 0.00 C ATOM 221 CG HIS A 15 8.635 15.199 -11.577 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.590 14.201 -11.463 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.194 16.391 -12.065 1.00 0.00 C ATOM 224 CE1 HIS A 15 10.649 14.922 -11.949 1.00 0.00 C ATOM 225 NE2 HIS A 15 10.544 16.252 -12.262 1.00 0.00 N ATOM 0 H HIS A 15 4.438 14.620 -10.971 1.00 0.00 H new ATOM 0 HA HIS A 15 6.625 14.543 -13.050 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.853 16.078 -10.934 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.254 14.567 -10.143 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.636 17.295 -12.259 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.598 14.426 -12.090 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.250 16.928 -12.552 1.00 0.00 H new ATOM 233 N GLU A 16 6.428 12.055 -13.013 1.00 0.00 N ATOM 234 CA GLU A 16 6.040 10.611 -13.203 1.00 0.00 C ATOM 235 C GLU A 16 7.068 9.701 -12.614 1.00 0.00 C ATOM 236 O GLU A 16 8.229 9.699 -13.099 1.00 0.00 O ATOM 237 CB GLU A 16 5.680 10.443 -14.683 1.00 0.00 C ATOM 238 CG GLU A 16 4.688 11.421 -15.316 1.00 0.00 C ATOM 239 CD GLU A 16 4.369 11.265 -16.766 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.795 10.263 -17.394 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.561 12.265 -17.197 1.00 0.00 O ATOM 0 H GLU A 16 6.833 12.472 -13.851 1.00 0.00 H new ATOM 0 HA GLU A 16 5.152 10.312 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.606 10.495 -15.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.281 9.437 -14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.753 11.352 -14.760 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.074 12.429 -15.167 1.00 0.00 H new ATOM 249 N ARG A 17 6.794 8.899 -11.565 1.00 0.00 N ATOM 250 CA ARG A 17 7.825 8.389 -10.642 1.00 0.00 C ATOM 251 C ARG A 17 7.364 7.063 -9.937 1.00 0.00 C ATOM 252 O ARG A 17 6.249 6.983 -9.383 1.00 0.00 O ATOM 253 CB ARG A 17 8.227 9.518 -9.608 1.00 0.00 C ATOM 254 CG ARG A 17 9.441 9.180 -8.607 1.00 0.00 C ATOM 255 CD ARG A 17 10.750 9.838 -8.897 1.00 0.00 C ATOM 256 NE ARG A 17 11.190 9.422 -10.188 1.00 0.00 N ATOM 257 CZ ARG A 17 11.328 10.074 -11.315 1.00 0.00 C ATOM 258 NH1 ARG A 17 11.286 11.363 -11.436 1.00 0.00 N ATOM 259 NH2 ARG A 17 11.615 9.349 -12.303 1.00 0.00 N ATOM 0 H ARG A 17 5.850 8.587 -11.335 1.00 0.00 H new ATOM 0 HA ARG A 17 8.715 8.130 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.488 10.416 -10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.349 9.760 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.137 9.456 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.594 8.101 -8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.644 10.922 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.486 9.567 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 17 11.444 8.436 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.136 11.948 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.403 11.793 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.720 8.342 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.742 9.769 -13.224 1.00 0.00 H new ATOM 272 N PRO A 18 8.177 5.959 -9.885 1.00 0.00 N ATOM 273 CA PRO A 18 7.701 4.729 -9.166 1.00 0.00 C ATOM 274 C PRO A 18 7.779 4.750 -7.657 1.00 0.00 C ATOM 275 O PRO A 18 8.758 5.248 -7.168 1.00 0.00 O ATOM 276 CB PRO A 18 8.596 3.711 -9.796 1.00 0.00 C ATOM 277 CG PRO A 18 9.927 4.391 -10.071 1.00 0.00 C ATOM 278 CD PRO A 18 9.516 5.869 -10.460 1.00 0.00 C ATOM 0 HA PRO A 18 6.630 4.561 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.731 2.855 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.159 3.334 -10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.575 4.372 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.469 3.900 -10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.195 6.609 -10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.510 6.023 -11.539 1.00 0.00 H new ATOM 286 N THR A 19 6.818 4.202 -6.838 1.00 0.00 N ATOM 287 CA THR A 19 6.914 3.959 -5.393 1.00 0.00 C ATOM 288 C THR A 19 7.362 5.114 -4.410 1.00 0.00 C ATOM 289 O THR A 19 7.219 4.916 -3.199 1.00 0.00 O ATOM 290 CB THR A 19 7.519 2.508 -5.090 1.00 0.00 C ATOM 291 OG1 THR A 19 6.959 1.466 -5.889 1.00 0.00 O ATOM 292 CG2 THR A 19 7.329 1.997 -3.598 1.00 0.00 C ATOM 0 H THR A 19 5.915 3.910 -7.210 1.00 0.00 H new ATOM 0 HA THR A 19 5.867 3.977 -5.089 1.00 0.00 H new ATOM 0 HB THR A 19 8.572 2.680 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.135 1.786 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.772 1.006 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.819 2.688 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.266 1.946 -3.364 1.00 0.00 H new ATOM 300 N LEU A 20 7.585 6.334 -4.818 1.00 0.00 N ATOM 301 CA LEU A 20 7.836 7.507 -3.925 1.00 0.00 C ATOM 302 C LEU A 20 6.486 8.311 -3.607 1.00 0.00 C ATOM 303 O LEU A 20 5.751 8.547 -4.543 1.00 0.00 O ATOM 304 CB LEU A 20 8.911 8.594 -4.508 1.00 0.00 C ATOM 305 CG LEU A 20 10.248 8.232 -5.161 1.00 0.00 C ATOM 306 CD1 LEU A 20 11.198 9.402 -5.339 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.957 7.100 -4.470 1.00 0.00 C ATOM 0 H LEU A 20 7.604 6.580 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 20 8.256 7.053 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.369 9.190 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.152 9.256 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 20 9.957 7.902 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.119 9.055 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.731 10.157 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.428 9.835 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.897 6.893 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.160 7.376 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.328 6.210 -4.492 1.00 0.00 H new ATOM 319 N PRO A 21 6.058 8.749 -2.404 1.00 0.00 N ATOM 320 CA PRO A 21 4.809 9.653 -2.262 1.00 0.00 C ATOM 321 C PRO A 21 5.144 11.091 -2.754 1.00 0.00 C ATOM 322 O PRO A 21 5.853 11.797 -2.082 1.00 0.00 O ATOM 323 CB PRO A 21 4.686 9.627 -0.676 1.00 0.00 C ATOM 324 CG PRO A 21 5.482 8.386 -0.203 1.00 0.00 C ATOM 325 CD PRO A 21 6.723 8.427 -1.134 1.00 0.00 C ATOM 0 HA PRO A 21 3.921 9.349 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.091 10.540 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.643 9.562 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.758 8.455 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.912 7.465 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.447 9.185 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.254 7.476 -1.168 1.00 0.00 H new ATOM 333 N TYR A 22 4.894 11.311 -3.983 1.00 0.00 N ATOM 334 CA TYR A 22 5.631 12.293 -4.764 1.00 0.00 C ATOM 335 C TYR A 22 4.833 13.531 -5.379 1.00 0.00 C ATOM 336 O TYR A 22 4.717 14.571 -4.710 1.00 0.00 O ATOM 337 CB TYR A 22 6.476 11.420 -5.687 1.00 0.00 C ATOM 338 CG TYR A 22 7.578 12.155 -6.416 1.00 0.00 C ATOM 339 CD1 TYR A 22 8.743 12.374 -5.653 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.572 12.380 -7.778 1.00 0.00 C ATOM 341 CE1 TYR A 22 9.912 12.833 -6.278 1.00 0.00 C ATOM 342 CE2 TYR A 22 8.711 12.874 -8.377 1.00 0.00 C ATOM 343 CZ TYR A 22 9.878 13.116 -7.628 1.00 0.00 C ATOM 344 OH TYR A 22 11.012 13.505 -8.227 1.00 0.00 O ATOM 0 H TYR A 22 4.168 10.823 -4.507 1.00 0.00 H new ATOM 0 HA TYR A 22 6.251 12.939 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.920 10.617 -5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.821 10.952 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.736 12.189 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.689 12.172 -8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.823 12.963 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.708 13.079 -9.437 1.00 0.00 H new ATOM 0 HH TYR A 22 10.840 13.669 -9.178 1.00 0.00 H new ATOM 354 N ASN A 23 4.468 13.493 -6.671 1.00 0.00 N ATOM 355 CA ASN A 23 3.971 14.629 -7.479 1.00 0.00 C ATOM 356 C ASN A 23 3.025 14.101 -8.556 1.00 0.00 C ATOM 357 O ASN A 23 1.841 14.423 -8.660 1.00 0.00 O ATOM 358 CB ASN A 23 5.099 15.461 -8.088 1.00 0.00 C ATOM 359 CG ASN A 23 6.017 16.351 -7.204 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.951 17.586 -7.296 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.066 15.823 -6.644 1.00 0.00 N ATOM 0 H ASN A 23 4.512 12.629 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 23 3.431 15.305 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.749 14.770 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.645 16.115 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.812 16.423 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.142 14.810 -6.557 1.00 0.00 H new ATOM 368 N CYS A 24 3.513 13.277 -9.486 1.00 0.00 N ATOM 369 CA CYS A 24 2.740 12.013 -9.815 1.00 0.00 C ATOM 370 C CYS A 24 2.408 11.131 -8.544 1.00 0.00 C ATOM 371 O CYS A 24 2.638 11.574 -7.390 1.00 0.00 O ATOM 372 CB CYS A 24 3.417 11.252 -11.001 1.00 0.00 C ATOM 373 SG CYS A 24 2.305 10.167 -11.860 1.00 0.00 S ATOM 0 H CYS A 24 4.377 13.419 -10.009 1.00 0.00 H new ATOM 0 HA CYS A 24 1.749 12.299 -10.169 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.823 11.978 -11.706 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.258 10.673 -10.620 1.00 0.00 H new ATOM 378 N GLY A 25 1.986 9.831 -8.587 1.00 0.00 N ATOM 379 CA GLY A 25 1.221 9.118 -7.499 1.00 0.00 C ATOM 380 C GLY A 25 1.682 9.226 -6.037 1.00 0.00 C ATOM 381 O GLY A 25 2.871 8.944 -5.750 1.00 0.00 O ATOM 0 H GLY A 25 2.169 9.232 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.191 9.473 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.204 8.059 -7.756 1.00 0.00 H new ATOM 385 N LYS A 26 0.715 9.561 -5.136 1.00 0.00 N ATOM 386 CA LYS A 26 0.958 9.489 -3.633 1.00 0.00 C ATOM 387 C LYS A 26 0.346 8.171 -2.992 1.00 0.00 C ATOM 388 O LYS A 26 0.559 7.924 -1.744 1.00 0.00 O ATOM 389 CB LYS A 26 0.453 10.816 -2.983 1.00 0.00 C ATOM 390 CG LYS A 26 0.718 11.022 -1.427 1.00 0.00 C ATOM 391 CD LYS A 26 0.753 12.463 -0.975 1.00 0.00 C ATOM 392 CE LYS A 26 2.186 13.042 -1.165 1.00 0.00 C ATOM 393 NZ LYS A 26 2.294 14.288 -0.476 1.00 0.00 N ATOM 0 H LYS A 26 -0.219 9.877 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 26 2.025 9.406 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.915 11.648 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.621 10.886 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.059 10.500 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.667 10.552 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.035 13.050 -1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.459 12.532 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.927 12.339 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.395 13.182 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.251 14.673 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.597 14.958 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.112 14.141 0.537 1.00 0.00 H new ATOM 406 N TYR A 27 -0.431 7.306 -3.705 1.00 0.00 N ATOM 407 CA TYR A 27 -1.537 6.469 -3.091 1.00 0.00 C ATOM 408 C TYR A 27 -1.104 4.931 -2.918 1.00 0.00 C ATOM 409 O TYR A 27 -0.494 4.588 -1.864 1.00 0.00 O ATOM 410 CB TYR A 27 -2.793 6.765 -4.057 1.00 0.00 C ATOM 411 CG TYR A 27 -3.076 8.269 -4.440 1.00 0.00 C ATOM 412 CD1 TYR A 27 -3.089 9.219 -3.358 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.498 8.664 -5.713 1.00 0.00 C ATOM 414 CE1 TYR A 27 -3.413 10.559 -3.636 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.886 9.996 -5.940 1.00 0.00 C ATOM 416 CZ TYR A 27 -3.767 10.952 -4.947 1.00 0.00 C ATOM 417 OH TYR A 27 -4.060 12.243 -5.135 1.00 0.00 O ATOM 0 H TYR A 27 -0.321 7.161 -4.709 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.789 6.723 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.647 6.204 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.687 6.365 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.854 8.908 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.526 7.947 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.391 11.292 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.283 10.277 -6.904 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.413 12.799 -4.652 1.00 0.00 H new ATOM 427 N ILE A 28 -1.266 4.046 -3.945 1.00 0.00 N ATOM 428 CA ILE A 28 -0.763 2.624 -3.784 1.00 0.00 C ATOM 429 C ILE A 28 0.297 2.382 -4.992 1.00 0.00 C ATOM 430 O ILE A 28 0.051 1.660 -5.971 1.00 0.00 O ATOM 431 CB ILE A 28 -1.915 1.559 -3.505 1.00 0.00 C ATOM 432 CG1 ILE A 28 -3.138 1.407 -4.498 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.587 1.676 -2.105 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.915 1.222 -5.973 1.00 0.00 C ATOM 0 H ILE A 28 -1.708 4.258 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.211 2.459 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.269 0.690 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.726 0.556 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.760 2.294 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.357 0.911 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.836 1.536 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.039 2.662 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.877 1.138 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.371 2.079 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.335 0.315 -6.142 1.00 0.00 H new ATOM 446 N CYS A 29 1.493 2.968 -4.909 1.00 0.00 N ATOM 447 CA CYS A 29 2.304 3.390 -6.054 1.00 0.00 C ATOM 448 C CYS A 29 3.334 2.381 -6.720 1.00 0.00 C ATOM 449 O CYS A 29 4.457 2.116 -6.271 1.00 0.00 O ATOM 450 CB CYS A 29 2.970 4.677 -5.511 1.00 0.00 C ATOM 451 SG CYS A 29 2.037 6.162 -5.644 1.00 0.00 S ATOM 0 H CYS A 29 1.939 3.169 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 29 1.661 3.502 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.211 4.519 -4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.914 4.820 -6.036 1.00 0.00 H new ATOM 456 N CYS A 30 2.784 1.702 -7.804 1.00 0.00 N ATOM 457 CA CYS A 30 3.556 1.000 -8.855 1.00 0.00 C ATOM 458 C CYS A 30 4.484 1.854 -9.727 1.00 0.00 C ATOM 459 O CYS A 30 5.447 2.457 -9.211 1.00 0.00 O ATOM 460 CB CYS A 30 2.516 0.052 -9.499 1.00 0.00 C ATOM 461 SG CYS A 30 2.214 -1.413 -8.455 1.00 0.00 S ATOM 0 H CYS A 30 1.776 1.642 -7.950 1.00 0.00 H new ATOM 0 HA CYS A 30 4.386 0.410 -8.467 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.580 0.588 -9.655 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.869 -0.265 -10.480 1.00 0.00 H new ATOM 466 N VAL A 31 4.212 1.987 -11.070 1.00 0.00 N ATOM 467 CA VAL A 31 4.962 2.925 -11.909 1.00 0.00 C ATOM 468 C VAL A 31 4.224 3.871 -12.913 1.00 0.00 C ATOM 469 O VAL A 31 4.464 5.087 -12.814 1.00 0.00 O ATOM 470 CB VAL A 31 6.304 2.360 -12.467 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.331 1.111 -13.414 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.232 3.485 -13.066 1.00 0.00 C ATOM 0 H VAL A 31 3.492 1.459 -11.563 1.00 0.00 H new ATOM 0 HA VAL A 31 5.187 3.652 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 31 6.684 1.944 -11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.362 0.883 -13.687 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.894 0.255 -12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.756 1.325 -14.315 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.152 3.037 -13.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.714 3.987 -13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.472 4.211 -12.289 1.00 0.00 H new ATOM 482 N PRO A 32 3.256 3.432 -13.862 1.00 0.00 N ATOM 483 CA PRO A 32 2.073 4.294 -14.160 1.00 0.00 C ATOM 484 C PRO A 32 1.113 4.688 -13.013 1.00 0.00 C ATOM 485 O PRO A 32 -0.093 4.412 -13.071 1.00 0.00 O ATOM 486 CB PRO A 32 1.551 3.529 -15.393 1.00 0.00 C ATOM 487 CG PRO A 32 2.717 2.966 -16.165 1.00 0.00 C ATOM 488 CD PRO A 32 3.727 2.650 -15.035 1.00 0.00 C ATOM 0 HA PRO A 32 2.288 5.347 -14.342 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.885 2.724 -15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.968 4.196 -16.028 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.442 2.074 -16.728 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.117 3.684 -16.881 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.749 1.583 -14.814 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.739 2.938 -15.320 1.00 0.00 H new ATOM 496 N VAL A 33 1.655 5.395 -12.044 1.00 0.00 N ATOM 497 CA VAL A 33 0.985 6.004 -10.909 1.00 0.00 C ATOM 498 C VAL A 33 0.129 7.362 -11.064 1.00 0.00 C ATOM 499 O VAL A 33 0.597 8.190 -11.854 1.00 0.00 O ATOM 500 CB VAL A 33 2.178 6.255 -9.877 1.00 0.00 C ATOM 501 CG1 VAL A 33 2.873 4.970 -9.363 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.332 7.190 -10.270 1.00 0.00 C ATOM 0 H VAL A 33 2.659 5.575 -12.027 1.00 0.00 H new ATOM 0 HA VAL A 33 0.183 5.318 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 33 1.576 6.758 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.669 5.240 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.144 4.341 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.297 4.424 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.051 7.244 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.825 6.804 -11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.940 8.186 -10.475 1.00 0.00 H new ATOM 512 N LYS A 34 -1.054 7.629 -10.386 1.00 0.00 N ATOM 513 CA LYS A 34 -1.780 8.913 -10.529 1.00 0.00 C ATOM 514 C LYS A 34 -1.007 10.289 -10.060 1.00 0.00 C ATOM 515 O LYS A 34 -0.145 10.804 -10.783 1.00 0.00 O ATOM 516 CB LYS A 34 -3.317 8.690 -10.037 1.00 0.00 C ATOM 517 CG LYS A 34 -4.267 9.913 -10.263 1.00 0.00 C ATOM 518 CD LYS A 34 -5.786 9.678 -9.997 1.00 0.00 C ATOM 519 CE LYS A 34 -6.419 10.925 -9.307 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.875 10.867 -9.305 1.00 0.00 N ATOM 0 H LYS A 34 -1.500 6.968 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.805 9.173 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.729 7.827 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.311 8.445 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.931 10.728 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.150 10.249 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.299 9.476 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.919 8.799 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.057 10.994 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.093 11.829 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.256 11.714 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.222 10.827 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.188 10.018 -8.792 1.00 0.00 H new ATOM 533 N VAL A 35 -1.473 10.964 -9.009 1.00 0.00 N ATOM 534 CA VAL A 35 -1.003 12.341 -8.608 1.00 0.00 C ATOM 535 C VAL A 35 -0.631 12.388 -7.076 1.00 0.00 C ATOM 536 O VAL A 35 -0.944 11.495 -6.315 1.00 0.00 O ATOM 537 CB VAL A 35 -1.791 13.617 -9.211 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.930 13.516 -10.752 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.215 13.812 -8.582 1.00 0.00 C ATOM 0 H VAL A 35 -2.193 10.590 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.074 12.495 -9.157 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.185 14.485 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.464 14.389 -11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.939 13.475 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.484 12.613 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.693 14.684 -9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.822 12.927 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.120 13.960 -7.506 1.00 0.00 H new ATOM 549 N LYS A 36 -0.040 13.548 -6.618 1.00 0.00 N ATOM 550 CA LYS A 36 -0.227 13.943 -5.198 1.00 0.00 C ATOM 551 C LYS A 36 -1.640 14.614 -5.014 1.00 0.00 C ATOM 552 O LYS A 36 -2.516 14.304 -4.262 1.00 0.00 O ATOM 553 CB LYS A 36 0.981 14.734 -4.590 1.00 0.00 C ATOM 554 CG LYS A 36 1.076 16.231 -4.981 1.00 0.00 C ATOM 555 CD LYS A 36 2.256 16.983 -4.392 1.00 0.00 C ATOM 556 CE LYS A 36 2.355 18.473 -4.937 1.00 0.00 C ATOM 557 NZ LYS A 36 3.131 18.430 -6.166 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.901 15.589 -5.946 1.00 0.00 O ATOM 0 H LYS A 36 0.531 14.179 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.227 13.041 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.925 14.665 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.904 14.240 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.126 16.303 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.158 16.729 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.167 17.001 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.177 16.450 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.362 18.881 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.833 19.121 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.247 19.395 -6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.066 18.019 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.635 17.846 -6.869 1.00 0.00 H new