USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 1:sc= 0.407 USER MOD Set 1.2: A 56 SER OG : rot 48:sc= 1.65 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -107:sc= 0.351 (180deg=-0.139) USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0.656 USER MOD Set 3.1: A 18 THR OG1 : rot -103:sc= 0.2 USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0954) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00931 USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0.934 (180deg=0.928) USER MOD Single : A 29 SER OG : rot 61:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.145) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 131:sc= -1.01 USER MOD Single : A 48 ASN : amide:sc= -3.09 K(o=-3.1,f=-5.2!) USER MOD Single : A 50 SER OG : rot -150:sc= 0.735 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.763! (180deg=-1.58!) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 0.708 (180deg=0.311) USER MOD Single : A 68 SER OG : rot 154:sc= 1.2 USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.27 (180deg=0.905) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0651) USER MOD Single : A 78 THR OG1 : rot -80:sc= 0.728 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 14.639 -2.847 -7.819 1.00 1.22 N ATOM 62 CA PHE A 6 14.883 -2.816 -6.389 1.00 3.45 C ATOM 63 C PHE A 6 15.758 -3.993 -5.947 1.00 43.44 C ATOM 64 O PHE A 6 16.295 -4.731 -6.777 1.00 1.21 O ATOM 65 CB PHE A 6 13.555 -2.840 -5.655 1.00 41.33 C ATOM 66 CG PHE A 6 12.769 -1.558 -5.721 1.00 62.02 C ATOM 67 CD1 PHE A 6 13.007 -0.532 -4.818 1.00 30.11 C ATOM 68 CD2 PHE A 6 11.777 -1.386 -6.674 1.00 55.35 C ATOM 69 CE1 PHE A 6 12.273 0.639 -4.868 1.00 54.54 C ATOM 70 CE2 PHE A 6 11.042 -0.217 -6.729 1.00 22.51 C ATOM 71 CZ PHE A 6 11.289 0.797 -5.824 1.00 72.55 C ATOM 0 HA PHE A 6 15.420 -1.899 -6.146 1.00 3.45 H new ATOM 0 HB2 PHE A 6 12.945 -3.644 -6.065 1.00 41.33 H new ATOM 0 HB3 PHE A 6 13.740 -3.082 -4.608 1.00 41.33 H new ATOM 0 HD1 PHE A 6 13.774 -0.649 -4.067 1.00 30.11 H new ATOM 0 HD2 PHE A 6 11.576 -2.176 -7.383 1.00 55.35 H new ATOM 0 HE1 PHE A 6 12.469 1.430 -4.159 1.00 54.54 H new ATOM 0 HE2 PHE A 6 10.275 -0.096 -7.479 1.00 22.51 H new ATOM 0 HZ PHE A 6 10.714 1.711 -5.864 1.00 72.55 H new ATOM 81 N ILE A 7 15.934 -4.142 -4.643 1.00 24.42 N ATOM 82 CA ILE A 7 16.596 -5.324 -4.111 1.00 31.15 C ATOM 83 C ILE A 7 15.642 -6.510 -4.191 1.00 25.42 C ATOM 84 O ILE A 7 16.003 -7.594 -4.653 1.00 45.32 O ATOM 85 CB ILE A 7 17.064 -5.119 -2.655 1.00 61.22 C ATOM 86 CG1 ILE A 7 18.046 -3.947 -2.581 1.00 21.22 C ATOM 87 CG2 ILE A 7 17.705 -6.390 -2.111 1.00 75.04 C ATOM 88 CD1 ILE A 7 18.550 -3.661 -1.184 1.00 51.11 C ATOM 0 H ILE A 7 15.632 -3.468 -3.940 1.00 24.42 H new ATOM 0 HA ILE A 7 17.485 -5.515 -4.712 1.00 31.15 H new ATOM 0 HB ILE A 7 16.195 -4.888 -2.039 1.00 61.22 H new ATOM 0 HG12 ILE A 7 18.897 -4.157 -3.229 1.00 21.22 H new ATOM 0 HG13 ILE A 7 17.561 -3.053 -2.972 1.00 21.22 H new ATOM 0 HG21 ILE A 7 18.028 -6.224 -1.083 1.00 75.04 H new ATOM 0 HG22 ILE A 7 16.979 -7.203 -2.136 1.00 75.04 H new ATOM 0 HG23 ILE A 7 18.567 -6.654 -2.724 1.00 75.04 H new ATOM 0 HD11 ILE A 7 19.241 -2.818 -1.212 1.00 51.11 H new ATOM 0 HD12 ILE A 7 17.708 -3.419 -0.536 1.00 51.11 H new ATOM 0 HD13 ILE A 7 19.065 -4.540 -0.796 1.00 51.11 H new ATOM 100 N ILE A 8 14.413 -6.284 -3.749 1.00 62.32 N ATOM 101 CA ILE A 8 13.356 -7.268 -3.903 1.00 14.32 C ATOM 102 C ILE A 8 12.558 -6.963 -5.162 1.00 5.32 C ATOM 103 O ILE A 8 12.103 -5.837 -5.361 1.00 2.23 O ATOM 104 CB ILE A 8 12.414 -7.299 -2.680 1.00 74.34 C ATOM 105 CG1 ILE A 8 13.187 -7.755 -1.441 1.00 31.43 C ATOM 106 CG2 ILE A 8 11.222 -8.213 -2.934 1.00 15.31 C ATOM 107 CD1 ILE A 8 12.353 -7.794 -0.179 1.00 0.21 C ATOM 0 H ILE A 8 14.125 -5.425 -3.280 1.00 62.32 H new ATOM 0 HA ILE A 8 13.822 -8.250 -3.984 1.00 14.32 H new ATOM 0 HB ILE A 8 12.032 -6.292 -2.509 1.00 74.34 H new ATOM 0 HG12 ILE A 8 13.596 -8.748 -1.625 1.00 31.43 H new ATOM 0 HG13 ILE A 8 14.033 -7.085 -1.285 1.00 31.43 H new ATOM 0 HG21 ILE A 8 10.574 -8.218 -2.058 1.00 15.31 H new ATOM 0 HG22 ILE A 8 10.663 -7.851 -3.797 1.00 15.31 H new ATOM 0 HG23 ILE A 8 11.575 -9.226 -3.129 1.00 15.31 H new ATOM 0 HD11 ILE A 8 12.971 -8.127 0.655 1.00 0.21 H new ATOM 0 HD12 ILE A 8 11.965 -6.797 0.032 1.00 0.21 H new ATOM 0 HD13 ILE A 8 11.522 -8.486 -0.313 1.00 0.21 H new ATOM 119 N LYS A 9 12.398 -7.963 -6.010 1.00 42.10 N ATOM 120 CA LYS A 9 11.737 -7.784 -7.289 1.00 33.43 C ATOM 121 C LYS A 9 10.342 -8.405 -7.265 1.00 25.22 C ATOM 122 O LYS A 9 9.872 -8.842 -6.215 1.00 25.43 O ATOM 123 CB LYS A 9 12.579 -8.387 -8.424 1.00 43.31 C ATOM 124 CG LYS A 9 13.026 -9.828 -8.203 1.00 13.15 C ATOM 125 CD LYS A 9 14.320 -9.908 -7.402 1.00 3.15 C ATOM 126 CE LYS A 9 14.790 -11.343 -7.243 1.00 53.14 C ATOM 127 NZ LYS A 9 15.239 -11.937 -8.531 1.00 63.54 N ATOM 0 H LYS A 9 12.720 -8.915 -5.833 1.00 42.10 H new ATOM 0 HA LYS A 9 11.632 -6.715 -7.473 1.00 33.43 H new ATOM 0 HB2 LYS A 9 12.002 -8.340 -9.348 1.00 43.31 H new ATOM 0 HB3 LYS A 9 13.464 -7.767 -8.568 1.00 43.31 H new ATOM 0 HG2 LYS A 9 12.241 -10.375 -7.680 1.00 13.15 H new ATOM 0 HG3 LYS A 9 13.166 -10.316 -9.167 1.00 13.15 H new ATOM 0 HD2 LYS A 9 15.094 -9.324 -7.900 1.00 3.15 H new ATOM 0 HD3 LYS A 9 14.168 -9.463 -6.419 1.00 3.15 H new ATOM 0 HE2 LYS A 9 15.609 -11.377 -6.525 1.00 53.14 H new ATOM 0 HE3 LYS A 9 13.980 -11.945 -6.831 1.00 53.14 H new ATOM 0 HZ1 LYS A 9 15.705 -12.849 -8.349 1.00 63.54 H new ATOM 0 HZ2 LYS A 9 14.417 -12.086 -9.150 1.00 63.54 H new ATOM 0 HZ3 LYS A 9 15.909 -11.292 -8.996 1.00 63.54 H new ATOM 141 N GLU A 10 9.688 -8.424 -8.422 1.00 1.12 N ATOM 142 CA GLU A 10 8.341 -8.951 -8.545 1.00 42.34 C ATOM 143 C GLU A 10 8.322 -10.457 -8.316 1.00 30.35 C ATOM 144 O GLU A 10 9.370 -11.105 -8.302 1.00 61.43 O ATOM 145 CB GLU A 10 7.815 -8.644 -9.939 1.00 64.21 C ATOM 146 CG GLU A 10 7.862 -7.171 -10.304 1.00 20.43 C ATOM 147 CD GLU A 10 7.645 -6.955 -11.784 1.00 14.45 C ATOM 148 OE1 GLU A 10 8.537 -7.329 -12.573 1.00 23.12 O ATOM 149 OE2 GLU A 10 6.578 -6.442 -12.170 1.00 23.40 O ATOM 0 H GLU A 10 10.079 -8.074 -9.297 1.00 1.12 H new ATOM 0 HA GLU A 10 7.710 -8.482 -7.790 1.00 42.34 H new ATOM 0 HB2 GLU A 10 8.397 -9.208 -10.668 1.00 64.21 H new ATOM 0 HB3 GLU A 10 6.785 -8.994 -10.013 1.00 64.21 H new ATOM 0 HG2 GLU A 10 7.099 -6.632 -9.742 1.00 20.43 H new ATOM 0 HG3 GLU A 10 8.826 -6.754 -10.013 1.00 20.43 H new ATOM 156 N GLY A 11 7.131 -11.011 -8.153 1.00 14.44 N ATOM 157 CA GLY A 11 7.008 -12.434 -7.962 1.00 21.15 C ATOM 158 C GLY A 11 5.573 -12.864 -7.772 1.00 74.31 C ATOM 159 O GLY A 11 4.648 -12.060 -7.900 1.00 10.11 O ATOM 0 H GLY A 11 6.249 -10.498 -8.150 1.00 14.44 H new ATOM 0 HA2 GLY A 11 7.429 -12.952 -8.824 1.00 21.15 H new ATOM 0 HA3 GLY A 11 7.593 -12.734 -7.093 1.00 21.15 H new ATOM 163 N ASP A 12 5.399 -14.132 -7.447 1.00 73.03 N ATOM 164 CA ASP A 12 4.079 -14.720 -7.248 1.00 14.22 C ATOM 165 C ASP A 12 3.568 -14.392 -5.854 1.00 45.31 C ATOM 166 O ASP A 12 2.366 -14.285 -5.619 1.00 23.42 O ATOM 167 CB ASP A 12 4.167 -16.237 -7.469 1.00 3.45 C ATOM 168 CG ASP A 12 2.968 -17.015 -6.973 1.00 73.33 C ATOM 169 OD1 ASP A 12 1.831 -16.719 -7.391 1.00 22.24 O ATOM 170 OD2 ASP A 12 3.171 -17.965 -6.186 1.00 63.53 O ATOM 0 H ASP A 12 6.168 -14.788 -7.312 1.00 73.03 H new ATOM 0 HA ASP A 12 3.373 -14.304 -7.966 1.00 14.22 H new ATOM 0 HB2 ASP A 12 4.293 -16.429 -8.534 1.00 3.45 H new ATOM 0 HB3 ASP A 12 5.060 -16.613 -6.969 1.00 3.45 H new ATOM 175 N GLU A 13 4.502 -14.202 -4.943 1.00 43.44 N ATOM 176 CA GLU A 13 4.186 -13.881 -3.561 1.00 13.02 C ATOM 177 C GLU A 13 4.522 -12.423 -3.257 1.00 54.12 C ATOM 178 O GLU A 13 4.581 -12.017 -2.097 1.00 42.22 O ATOM 179 CB GLU A 13 4.953 -14.810 -2.603 1.00 11.03 C ATOM 180 CG GLU A 13 6.468 -14.808 -2.797 1.00 22.32 C ATOM 181 CD GLU A 13 6.916 -15.587 -4.020 1.00 50.41 C ATOM 182 OE1 GLU A 13 7.096 -16.817 -3.910 1.00 30.34 O ATOM 183 OE2 GLU A 13 7.084 -14.977 -5.097 1.00 53.32 O ATOM 0 H GLU A 13 5.501 -14.265 -5.138 1.00 43.44 H new ATOM 0 HA GLU A 13 3.116 -14.030 -3.413 1.00 13.02 H new ATOM 0 HB2 GLU A 13 4.730 -14.517 -1.577 1.00 11.03 H new ATOM 0 HB3 GLU A 13 4.584 -15.828 -2.731 1.00 11.03 H new ATOM 0 HG2 GLU A 13 6.815 -13.778 -2.883 1.00 22.32 H new ATOM 0 HG3 GLU A 13 6.942 -15.231 -1.911 1.00 22.32 H new ATOM 190 N VAL A 14 4.726 -11.637 -4.304 1.00 61.44 N ATOM 191 CA VAL A 14 5.127 -10.247 -4.146 1.00 45.30 C ATOM 192 C VAL A 14 4.078 -9.310 -4.747 1.00 15.54 C ATOM 193 O VAL A 14 3.502 -9.606 -5.794 1.00 22.14 O ATOM 194 CB VAL A 14 6.491 -9.985 -4.820 1.00 14.43 C ATOM 195 CG1 VAL A 14 7.000 -8.595 -4.487 1.00 61.13 C ATOM 196 CG2 VAL A 14 7.509 -11.042 -4.411 1.00 23.14 C ATOM 0 H VAL A 14 4.620 -11.938 -5.273 1.00 61.44 H new ATOM 0 HA VAL A 14 5.216 -10.050 -3.078 1.00 45.30 H new ATOM 0 HB VAL A 14 6.351 -10.046 -5.899 1.00 14.43 H new ATOM 0 HG11 VAL A 14 7.962 -8.434 -4.973 1.00 61.13 H new ATOM 0 HG12 VAL A 14 6.286 -7.852 -4.841 1.00 61.13 H new ATOM 0 HG13 VAL A 14 7.118 -8.500 -3.408 1.00 61.13 H new ATOM 0 HG21 VAL A 14 8.462 -10.837 -4.898 1.00 23.14 H new ATOM 0 HG22 VAL A 14 7.642 -11.020 -3.329 1.00 23.14 H new ATOM 0 HG23 VAL A 14 7.152 -12.027 -4.712 1.00 23.14 H new ATOM 206 N ALA A 15 3.821 -8.193 -4.073 1.00 11.24 N ATOM 207 CA ALA A 15 2.861 -7.204 -4.557 1.00 74.21 C ATOM 208 C ALA A 15 3.392 -5.786 -4.365 1.00 4.21 C ATOM 209 O ALA A 15 4.010 -5.479 -3.344 1.00 71.30 O ATOM 210 CB ALA A 15 1.525 -7.364 -3.841 1.00 14.24 C ATOM 0 H ALA A 15 4.265 -7.949 -3.188 1.00 11.24 H new ATOM 0 HA ALA A 15 2.713 -7.373 -5.624 1.00 74.21 H new ATOM 0 HB1 ALA A 15 0.821 -6.620 -4.213 1.00 14.24 H new ATOM 0 HB2 ALA A 15 1.130 -8.362 -4.027 1.00 14.24 H new ATOM 0 HB3 ALA A 15 1.668 -7.225 -2.769 1.00 14.24 H new ATOM 216 N ASP A 16 3.162 -4.930 -5.353 1.00 71.40 N ATOM 217 CA ASP A 16 3.588 -3.540 -5.278 1.00 32.34 C ATOM 218 C ASP A 16 2.445 -2.651 -4.827 1.00 71.03 C ATOM 219 O ASP A 16 1.299 -2.824 -5.249 1.00 73.12 O ATOM 220 CB ASP A 16 4.070 -3.035 -6.636 1.00 12.22 C ATOM 221 CG ASP A 16 5.229 -3.826 -7.196 1.00 1.10 C ATOM 222 OD1 ASP A 16 6.385 -3.525 -6.844 1.00 62.25 O ATOM 223 OD2 ASP A 16 4.987 -4.751 -8.000 1.00 32.44 O ATOM 0 H ASP A 16 2.681 -5.176 -6.218 1.00 71.40 H new ATOM 0 HA ASP A 16 4.405 -3.498 -4.558 1.00 32.34 H new ATOM 0 HB2 ASP A 16 3.241 -3.070 -7.343 1.00 12.22 H new ATOM 0 HB3 ASP A 16 4.365 -1.990 -6.542 1.00 12.22 H new ATOM 228 N VAL A 17 2.767 -1.700 -3.973 1.00 60.10 N ATOM 229 CA VAL A 17 1.821 -0.677 -3.557 1.00 75.04 C ATOM 230 C VAL A 17 2.481 0.687 -3.688 1.00 43.33 C ATOM 231 O VAL A 17 3.635 0.864 -3.314 1.00 62.14 O ATOM 232 CB VAL A 17 1.353 -0.863 -2.096 1.00 73.45 C ATOM 233 CG1 VAL A 17 0.240 0.117 -1.752 1.00 32.42 C ATOM 234 CG2 VAL A 17 0.902 -2.293 -1.840 1.00 14.45 C ATOM 0 H VAL A 17 3.690 -1.612 -3.547 1.00 60.10 H new ATOM 0 HA VAL A 17 0.944 -0.759 -4.200 1.00 75.04 H new ATOM 0 HB VAL A 17 2.205 -0.656 -1.448 1.00 73.45 H new ATOM 0 HG11 VAL A 17 -0.072 -0.034 -0.719 1.00 32.42 H new ATOM 0 HG12 VAL A 17 0.603 1.137 -1.876 1.00 32.42 H new ATOM 0 HG13 VAL A 17 -0.609 -0.049 -2.415 1.00 32.42 H new ATOM 0 HG21 VAL A 17 0.579 -2.393 -0.804 1.00 14.45 H new ATOM 0 HG22 VAL A 17 0.073 -2.537 -2.504 1.00 14.45 H new ATOM 0 HG23 VAL A 17 1.731 -2.975 -2.029 1.00 14.45 H new ATOM 244 N THR A 18 1.763 1.639 -4.238 1.00 55.13 N ATOM 245 CA THR A 18 2.306 2.968 -4.451 1.00 3.00 C ATOM 246 C THR A 18 1.309 4.029 -4.006 1.00 21.05 C ATOM 247 O THR A 18 0.190 4.097 -4.516 1.00 0.34 O ATOM 248 CB THR A 18 2.680 3.175 -5.931 1.00 20.12 C ATOM 249 OG1 THR A 18 3.589 2.144 -6.342 1.00 64.11 O ATOM 250 CG2 THR A 18 3.325 4.537 -6.158 1.00 13.54 C ATOM 0 H THR A 18 0.798 1.521 -4.548 1.00 55.13 H new ATOM 0 HA THR A 18 3.211 3.065 -3.851 1.00 3.00 H new ATOM 0 HB THR A 18 1.765 3.129 -6.521 1.00 20.12 H new ATOM 0 HG1 THR A 18 4.499 2.506 -6.378 1.00 64.11 H new ATOM 0 HG21 THR A 18 3.576 4.649 -7.213 1.00 13.54 H new ATOM 0 HG22 THR A 18 2.629 5.323 -5.865 1.00 13.54 H new ATOM 0 HG23 THR A 18 4.232 4.614 -5.559 1.00 13.54 H new ATOM 258 N ILE A 19 1.713 4.842 -3.043 1.00 51.33 N ATOM 259 CA ILE A 19 0.847 5.880 -2.514 1.00 10.55 C ATOM 260 C ILE A 19 1.305 7.237 -3.021 1.00 35.44 C ATOM 261 O ILE A 19 2.503 7.477 -3.164 1.00 61.03 O ATOM 262 CB ILE A 19 0.833 5.914 -0.964 1.00 42.00 C ATOM 263 CG1 ILE A 19 0.654 4.512 -0.367 1.00 43.41 C ATOM 264 CG2 ILE A 19 -0.272 6.830 -0.459 1.00 42.32 C ATOM 265 CD1 ILE A 19 1.943 3.730 -0.224 1.00 62.11 C ATOM 0 H ILE A 19 2.637 4.802 -2.612 1.00 51.33 H new ATOM 0 HA ILE A 19 -0.163 5.653 -2.856 1.00 10.55 H new ATOM 0 HB ILE A 19 1.800 6.301 -0.641 1.00 42.00 H new ATOM 0 HG12 ILE A 19 0.187 4.604 0.614 1.00 43.41 H new ATOM 0 HG13 ILE A 19 -0.033 3.946 -0.996 1.00 43.41 H new ATOM 0 HG21 ILE A 19 -0.266 6.841 0.631 1.00 42.32 H new ATOM 0 HG22 ILE A 19 -0.106 7.840 -0.833 1.00 42.32 H new ATOM 0 HG23 ILE A 19 -1.237 6.466 -0.813 1.00 42.32 H new ATOM 0 HD11 ILE A 19 1.729 2.751 0.205 1.00 62.11 H new ATOM 0 HD12 ILE A 19 2.403 3.604 -1.204 1.00 62.11 H new ATOM 0 HD13 ILE A 19 2.626 4.271 0.430 1.00 62.11 H new ATOM 277 N PHE A 20 0.353 8.106 -3.299 1.00 4.20 N ATOM 278 CA PHE A 20 0.655 9.461 -3.717 1.00 52.01 C ATOM 279 C PHE A 20 -0.233 10.456 -2.979 1.00 63.53 C ATOM 280 O PHE A 20 -1.401 10.173 -2.699 1.00 54.21 O ATOM 281 CB PHE A 20 0.504 9.619 -5.236 1.00 25.42 C ATOM 282 CG PHE A 20 -0.775 9.064 -5.804 1.00 15.14 C ATOM 283 CD1 PHE A 20 -1.936 9.820 -5.819 1.00 21.11 C ATOM 284 CD2 PHE A 20 -0.809 7.785 -6.337 1.00 3.31 C ATOM 285 CE1 PHE A 20 -3.105 9.312 -6.350 1.00 53.14 C ATOM 286 CE2 PHE A 20 -1.974 7.269 -6.868 1.00 22.14 C ATOM 287 CZ PHE A 20 -3.124 8.035 -6.876 1.00 20.42 C ATOM 0 H PHE A 20 -0.643 7.896 -3.242 1.00 4.20 H new ATOM 0 HA PHE A 20 1.694 9.670 -3.463 1.00 52.01 H new ATOM 0 HB2 PHE A 20 0.566 10.678 -5.485 1.00 25.42 H new ATOM 0 HB3 PHE A 20 1.345 9.127 -5.724 1.00 25.42 H new ATOM 0 HD1 PHE A 20 -1.927 10.820 -5.410 1.00 21.11 H new ATOM 0 HD2 PHE A 20 0.088 7.184 -6.337 1.00 3.31 H new ATOM 0 HE1 PHE A 20 -4.003 9.912 -6.354 1.00 53.14 H new ATOM 0 HE2 PHE A 20 -1.987 6.269 -7.276 1.00 22.14 H new ATOM 0 HZ PHE A 20 -4.037 7.636 -7.293 1.00 20.42 H new ATOM 297 N ALA A 21 0.337 11.603 -2.645 1.00 63.42 N ATOM 298 CA ALA A 21 -0.380 12.657 -1.938 1.00 1.23 C ATOM 299 C ALA A 21 0.400 13.961 -2.017 1.00 12.23 C ATOM 300 O ALA A 21 1.488 14.006 -2.589 1.00 42.45 O ATOM 301 CB ALA A 21 -0.625 12.267 -0.486 1.00 24.34 C ATOM 0 H ALA A 21 1.309 11.831 -2.855 1.00 63.42 H new ATOM 0 HA ALA A 21 -1.349 12.797 -2.416 1.00 1.23 H new ATOM 0 HB1 ALA A 21 -1.161 13.069 0.021 1.00 24.34 H new ATOM 0 HB2 ALA A 21 -1.219 11.354 -0.450 1.00 24.34 H new ATOM 0 HB3 ALA A 21 0.330 12.098 0.012 1.00 24.34 H new ATOM 307 N GLU A 22 -0.152 15.015 -1.439 1.00 54.34 N ATOM 308 CA GLU A 22 0.466 16.328 -1.510 1.00 43.01 C ATOM 309 C GLU A 22 1.567 16.496 -0.475 1.00 41.51 C ATOM 310 O GLU A 22 2.585 17.133 -0.749 1.00 20.40 O ATOM 311 CB GLU A 22 -0.592 17.413 -1.351 1.00 1.21 C ATOM 312 CG GLU A 22 -1.582 17.430 -2.501 1.00 50.03 C ATOM 313 CD GLU A 22 -0.925 17.769 -3.824 1.00 70.23 C ATOM 314 OE1 GLU A 22 -0.120 16.952 -4.325 1.00 63.24 O ATOM 315 OE2 GLU A 22 -1.198 18.862 -4.363 1.00 54.00 O ATOM 0 H GLU A 22 -1.027 14.987 -0.915 1.00 54.34 H new ATOM 0 HA GLU A 22 0.931 16.423 -2.491 1.00 43.01 H new ATOM 0 HB2 GLU A 22 -1.129 17.258 -0.415 1.00 1.21 H new ATOM 0 HB3 GLU A 22 -0.104 18.385 -1.281 1.00 1.21 H new ATOM 0 HG2 GLU A 22 -2.063 16.455 -2.577 1.00 50.03 H new ATOM 0 HG3 GLU A 22 -2.366 18.157 -2.291 1.00 50.03 H new ATOM 322 N THR A 23 1.374 15.918 0.699 1.00 23.31 N ATOM 323 CA THR A 23 2.347 16.053 1.768 1.00 3.51 C ATOM 324 C THR A 23 3.077 14.741 2.015 1.00 73.42 C ATOM 325 O THR A 23 2.481 13.663 1.942 1.00 75.34 O ATOM 326 CB THR A 23 1.686 16.524 3.081 1.00 53.40 C ATOM 327 OG1 THR A 23 0.634 15.623 3.462 1.00 51.42 O ATOM 328 CG2 THR A 23 1.123 17.931 2.936 1.00 73.53 C ATOM 0 H THR A 23 0.557 15.354 0.934 1.00 23.31 H new ATOM 0 HA THR A 23 3.065 16.808 1.447 1.00 3.51 H new ATOM 0 HB THR A 23 2.453 16.533 3.856 1.00 53.40 H new ATOM 0 HG1 THR A 23 0.225 15.932 4.297 1.00 51.42 H new ATOM 0 HG21 THR A 23 0.663 18.238 3.876 1.00 73.53 H new ATOM 0 HG22 THR A 23 1.928 18.621 2.684 1.00 73.53 H new ATOM 0 HG23 THR A 23 0.374 17.943 2.144 1.00 73.53 H new ATOM 336 N LYS A 24 4.369 14.837 2.308 1.00 74.25 N ATOM 337 CA LYS A 24 5.176 13.667 2.638 1.00 4.34 C ATOM 338 C LYS A 24 4.585 12.959 3.844 1.00 45.34 C ATOM 339 O LYS A 24 4.594 11.733 3.929 1.00 20.30 O ATOM 340 CB LYS A 24 6.617 14.082 2.939 1.00 13.42 C ATOM 341 CG LYS A 24 7.553 12.909 3.212 1.00 73.22 C ATOM 342 CD LYS A 24 8.987 13.364 3.454 1.00 50.22 C ATOM 343 CE LYS A 24 9.110 14.241 4.696 1.00 70.44 C ATOM 344 NZ LYS A 24 8.743 13.515 5.944 1.00 24.13 N ATOM 0 H LYS A 24 4.883 15.718 2.324 1.00 74.25 H new ATOM 0 HA LYS A 24 5.176 12.990 1.784 1.00 4.34 H new ATOM 0 HB2 LYS A 24 7.004 14.654 2.096 1.00 13.42 H new ATOM 0 HB3 LYS A 24 6.621 14.746 3.803 1.00 13.42 H new ATOM 0 HG2 LYS A 24 7.197 12.356 4.081 1.00 73.22 H new ATOM 0 HG3 LYS A 24 7.529 12.222 2.366 1.00 73.22 H new ATOM 0 HD2 LYS A 24 9.630 12.491 3.562 1.00 50.22 H new ATOM 0 HD3 LYS A 24 9.343 13.916 2.584 1.00 50.22 H new ATOM 0 HE2 LYS A 24 10.134 14.606 4.779 1.00 70.44 H new ATOM 0 HE3 LYS A 24 8.468 15.115 4.585 1.00 70.44 H new ATOM 0 HZ1 LYS A 24 8.875 14.143 6.763 1.00 24.13 H new ATOM 0 HZ2 LYS A 24 7.748 13.218 5.893 1.00 24.13 H new ATOM 0 HZ3 LYS A 24 9.350 12.677 6.049 1.00 24.13 H new ATOM 358 N ASP A 25 4.064 13.753 4.764 1.00 14.22 N ATOM 359 CA ASP A 25 3.399 13.235 5.950 1.00 44.40 C ATOM 360 C ASP A 25 2.266 12.293 5.576 1.00 1.51 C ATOM 361 O ASP A 25 2.118 11.229 6.168 1.00 1.44 O ATOM 362 CB ASP A 25 2.849 14.380 6.795 1.00 22.15 C ATOM 363 CG ASP A 25 2.161 13.887 8.050 1.00 10.11 C ATOM 364 OD1 ASP A 25 2.864 13.440 8.980 1.00 23.23 O ATOM 365 OD2 ASP A 25 0.912 13.961 8.121 1.00 72.43 O ATOM 0 H ASP A 25 4.089 14.771 4.711 1.00 14.22 H new ATOM 0 HA ASP A 25 4.138 12.680 6.528 1.00 44.40 H new ATOM 0 HB2 ASP A 25 3.664 15.050 7.069 1.00 22.15 H new ATOM 0 HB3 ASP A 25 2.144 14.961 6.201 1.00 22.15 H new ATOM 370 N ALA A 26 1.469 12.685 4.588 1.00 13.53 N ATOM 371 CA ALA A 26 0.364 11.852 4.129 1.00 35.12 C ATOM 372 C ALA A 26 0.884 10.549 3.537 1.00 53.34 C ATOM 373 O ALA A 26 0.317 9.479 3.773 1.00 13.52 O ATOM 374 CB ALA A 26 -0.487 12.600 3.115 1.00 0.13 C ATOM 0 H ALA A 26 1.567 13.571 4.091 1.00 13.53 H new ATOM 0 HA ALA A 26 -0.262 11.611 4.988 1.00 35.12 H new ATOM 0 HB1 ALA A 26 -1.306 11.961 2.785 1.00 0.13 H new ATOM 0 HB2 ALA A 26 -0.893 13.501 3.575 1.00 0.13 H new ATOM 0 HB3 ALA A 26 0.127 12.875 2.257 1.00 0.13 H new ATOM 380 N LEU A 27 1.971 10.652 2.777 1.00 43.22 N ATOM 381 CA LEU A 27 2.661 9.483 2.247 1.00 3.34 C ATOM 382 C LEU A 27 3.063 8.551 3.382 1.00 14.13 C ATOM 383 O LEU A 27 2.696 7.377 3.399 1.00 21.41 O ATOM 384 CB LEU A 27 3.914 9.911 1.467 1.00 15.24 C ATOM 385 CG LEU A 27 3.714 10.207 -0.020 1.00 40.41 C ATOM 386 CD1 LEU A 27 2.822 11.417 -0.219 1.00 20.15 C ATOM 387 CD2 LEU A 27 5.058 10.422 -0.696 1.00 13.32 C ATOM 0 H LEU A 27 2.395 11.542 2.514 1.00 43.22 H new ATOM 0 HA LEU A 27 1.983 8.959 1.574 1.00 3.34 H new ATOM 0 HB2 LEU A 27 4.326 10.802 1.942 1.00 15.24 H new ATOM 0 HB3 LEU A 27 4.662 9.124 1.562 1.00 15.24 H new ATOM 0 HG LEU A 27 3.222 9.348 -0.476 1.00 40.41 H new ATOM 0 HD11 LEU A 27 2.696 11.605 -1.285 1.00 20.15 H new ATOM 0 HD12 LEU A 27 1.848 11.230 0.234 1.00 20.15 H new ATOM 0 HD13 LEU A 27 3.279 12.287 0.252 1.00 20.15 H new ATOM 0 HD21 LEU A 27 4.903 10.632 -1.754 1.00 13.32 H new ATOM 0 HD22 LEU A 27 5.569 11.264 -0.230 1.00 13.32 H new ATOM 0 HD23 LEU A 27 5.667 9.524 -0.589 1.00 13.32 H new ATOM 399 N GLU A 28 3.792 9.103 4.341 1.00 50.55 N ATOM 400 CA GLU A 28 4.311 8.347 5.465 1.00 31.25 C ATOM 401 C GLU A 28 3.188 7.745 6.310 1.00 51.43 C ATOM 402 O GLU A 28 3.291 6.608 6.767 1.00 71.22 O ATOM 403 CB GLU A 28 5.188 9.264 6.315 1.00 61.11 C ATOM 404 CG GLU A 28 6.418 9.771 5.579 1.00 70.20 C ATOM 405 CD GLU A 28 7.175 10.827 6.355 1.00 40.32 C ATOM 406 OE1 GLU A 28 6.647 11.945 6.515 1.00 41.11 O ATOM 407 OE2 GLU A 28 8.309 10.550 6.799 1.00 65.11 O ATOM 0 H GLU A 28 4.040 10.092 4.359 1.00 50.55 H new ATOM 0 HA GLU A 28 4.903 7.515 5.083 1.00 31.25 H new ATOM 0 HB2 GLU A 28 4.595 10.116 6.648 1.00 61.11 H new ATOM 0 HB3 GLU A 28 5.504 8.727 7.209 1.00 61.11 H new ATOM 0 HG2 GLU A 28 7.083 8.932 5.373 1.00 70.20 H new ATOM 0 HG3 GLU A 28 6.115 10.182 4.616 1.00 70.20 H new ATOM 414 N SER A 29 2.114 8.502 6.504 1.00 0.22 N ATOM 415 CA SER A 29 0.999 8.046 7.322 1.00 41.10 C ATOM 416 C SER A 29 0.287 6.859 6.681 1.00 71.31 C ATOM 417 O SER A 29 0.031 5.849 7.338 1.00 45.43 O ATOM 418 CB SER A 29 0.013 9.191 7.546 1.00 62.32 C ATOM 419 OG SER A 29 0.652 10.305 8.150 1.00 33.33 O ATOM 0 H SER A 29 1.993 9.433 6.106 1.00 0.22 H new ATOM 0 HA SER A 29 1.397 7.719 8.282 1.00 41.10 H new ATOM 0 HB2 SER A 29 -0.423 9.491 6.593 1.00 62.32 H new ATOM 0 HB3 SER A 29 -0.807 8.851 8.179 1.00 62.32 H new ATOM 0 HG SER A 29 1.364 10.633 7.561 1.00 33.33 H new ATOM 425 N GLU A 30 -0.011 6.974 5.393 1.00 21.04 N ATOM 426 CA GLU A 30 -0.740 5.934 4.687 1.00 52.41 C ATOM 427 C GLU A 30 0.138 4.696 4.520 1.00 64.13 C ATOM 428 O GLU A 30 -0.321 3.565 4.678 1.00 45.24 O ATOM 429 CB GLU A 30 -1.189 6.463 3.327 1.00 14.22 C ATOM 430 CG GLU A 30 -2.513 5.892 2.857 1.00 31.42 C ATOM 431 CD GLU A 30 -3.657 6.224 3.795 1.00 1.11 C ATOM 432 OE1 GLU A 30 -3.707 7.366 4.305 1.00 33.10 O ATOM 433 OE2 GLU A 30 -4.510 5.350 4.035 1.00 71.44 O ATOM 0 H GLU A 30 0.242 7.778 4.818 1.00 21.04 H new ATOM 0 HA GLU A 30 -1.620 5.651 5.265 1.00 52.41 H new ATOM 0 HB2 GLU A 30 -1.269 7.549 3.378 1.00 14.22 H new ATOM 0 HB3 GLU A 30 -0.422 6.235 2.587 1.00 14.22 H new ATOM 0 HG2 GLU A 30 -2.739 6.279 1.863 1.00 31.42 H new ATOM 0 HG3 GLU A 30 -2.426 4.809 2.765 1.00 31.42 H new ATOM 440 N LEU A 31 1.410 4.932 4.221 1.00 22.34 N ATOM 441 CA LEU A 31 2.390 3.863 4.071 1.00 24.24 C ATOM 442 C LEU A 31 2.496 3.065 5.366 1.00 52.54 C ATOM 443 O LEU A 31 2.496 1.832 5.355 1.00 74.54 O ATOM 444 CB LEU A 31 3.745 4.483 3.701 1.00 21.33 C ATOM 445 CG LEU A 31 4.827 3.527 3.182 1.00 72.31 C ATOM 446 CD1 LEU A 31 5.604 2.915 4.332 1.00 53.42 C ATOM 447 CD2 LEU A 31 4.215 2.436 2.316 1.00 43.25 C ATOM 0 H LEU A 31 1.790 5.867 4.076 1.00 22.34 H new ATOM 0 HA LEU A 31 2.079 3.181 3.280 1.00 24.24 H new ATOM 0 HB2 LEU A 31 3.573 5.245 2.941 1.00 21.33 H new ATOM 0 HB3 LEU A 31 4.137 4.993 4.581 1.00 21.33 H new ATOM 0 HG LEU A 31 5.519 4.105 2.569 1.00 72.31 H new ATOM 0 HD11 LEU A 31 6.365 2.241 3.939 1.00 53.42 H new ATOM 0 HD12 LEU A 31 6.083 3.706 4.909 1.00 53.42 H new ATOM 0 HD13 LEU A 31 4.923 2.358 4.975 1.00 53.42 H new ATOM 0 HD21 LEU A 31 5.001 1.770 1.960 1.00 43.25 H new ATOM 0 HD22 LEU A 31 3.496 1.866 2.904 1.00 43.25 H new ATOM 0 HD23 LEU A 31 3.709 2.889 1.463 1.00 43.25 H new ATOM 459 N ALA A 32 2.571 3.786 6.475 1.00 72.13 N ATOM 460 CA ALA A 32 2.623 3.172 7.799 1.00 4.12 C ATOM 461 C ALA A 32 1.433 2.245 8.028 1.00 20.53 C ATOM 462 O ALA A 32 1.588 1.162 8.593 1.00 1.43 O ATOM 463 CB ALA A 32 2.674 4.236 8.882 1.00 52.43 C ATOM 0 H ALA A 32 2.598 4.806 6.486 1.00 72.13 H new ATOM 0 HA ALA A 32 3.533 2.575 7.850 1.00 4.12 H new ATOM 0 HB1 ALA A 32 2.712 3.758 9.861 1.00 52.43 H new ATOM 0 HB2 ALA A 32 3.562 4.853 8.745 1.00 52.43 H new ATOM 0 HB3 ALA A 32 1.784 4.862 8.819 1.00 52.43 H new ATOM 469 N LYS A 33 0.251 2.674 7.586 1.00 11.53 N ATOM 470 CA LYS A 33 -0.959 1.876 7.712 1.00 73.51 C ATOM 471 C LYS A 33 -0.817 0.567 6.952 1.00 14.11 C ATOM 472 O LYS A 33 -1.164 -0.499 7.454 1.00 24.02 O ATOM 473 CB LYS A 33 -2.159 2.639 7.150 1.00 74.22 C ATOM 474 CG LYS A 33 -2.419 3.987 7.798 1.00 74.50 C ATOM 475 CD LYS A 33 -3.569 4.699 7.105 1.00 13.14 C ATOM 476 CE LYS A 33 -3.731 6.130 7.588 1.00 61.31 C ATOM 477 NZ LYS A 33 -4.791 6.848 6.832 1.00 4.34 N ATOM 0 H LYS A 33 0.110 3.578 7.135 1.00 11.53 H new ATOM 0 HA LYS A 33 -1.115 1.669 8.771 1.00 73.51 H new ATOM 0 HB2 LYS A 33 -2.008 2.789 6.081 1.00 74.22 H new ATOM 0 HB3 LYS A 33 -3.049 2.020 7.262 1.00 74.22 H new ATOM 0 HG2 LYS A 33 -2.652 3.850 8.854 1.00 74.50 H new ATOM 0 HG3 LYS A 33 -1.520 4.601 7.747 1.00 74.50 H new ATOM 0 HD2 LYS A 33 -3.399 4.698 6.028 1.00 13.14 H new ATOM 0 HD3 LYS A 33 -4.494 4.150 7.283 1.00 13.14 H new ATOM 0 HE2 LYS A 33 -3.977 6.130 8.650 1.00 61.31 H new ATOM 0 HE3 LYS A 33 -2.785 6.660 7.480 1.00 61.31 H new ATOM 0 HZ1 LYS A 33 -5.159 7.631 7.409 1.00 4.34 H new ATOM 0 HZ2 LYS A 33 -4.392 7.226 5.949 1.00 4.34 H new ATOM 0 HZ3 LYS A 33 -5.564 6.190 6.608 1.00 4.34 H new ATOM 491 N TYR A 34 -0.296 0.658 5.739 1.00 1.13 N ATOM 492 CA TYR A 34 -0.173 -0.504 4.872 1.00 51.51 C ATOM 493 C TYR A 34 0.870 -1.478 5.404 1.00 44.31 C ATOM 494 O TYR A 34 0.695 -2.687 5.306 1.00 61.13 O ATOM 495 CB TYR A 34 0.159 -0.076 3.442 1.00 51.02 C ATOM 496 CG TYR A 34 -0.909 0.806 2.829 1.00 25.21 C ATOM 497 CD1 TYR A 34 -2.259 0.565 3.074 1.00 54.55 C ATOM 498 CD2 TYR A 34 -0.573 1.880 2.017 1.00 34.31 C ATOM 499 CE1 TYR A 34 -3.238 1.374 2.529 1.00 42.31 C ATOM 500 CE2 TYR A 34 -1.549 2.691 1.468 1.00 44.01 C ATOM 501 CZ TYR A 34 -2.876 2.435 1.728 1.00 52.53 C ATOM 502 OH TYR A 34 -3.845 3.247 1.184 1.00 74.01 O ATOM 0 H TYR A 34 0.050 1.527 5.331 1.00 1.13 H new ATOM 0 HA TYR A 34 -1.133 -1.020 4.860 1.00 51.51 H new ATOM 0 HB2 TYR A 34 1.110 0.457 3.439 1.00 51.02 H new ATOM 0 HB3 TYR A 34 0.290 -0.964 2.823 1.00 51.02 H new ATOM 0 HD1 TYR A 34 -2.545 -0.267 3.700 1.00 54.55 H new ATOM 0 HD2 TYR A 34 0.467 2.086 1.811 1.00 34.31 H new ATOM 0 HE1 TYR A 34 -4.280 1.176 2.730 1.00 42.31 H new ATOM 0 HE2 TYR A 34 -1.271 3.522 0.837 1.00 44.01 H new ATOM 0 HH TYR A 34 -3.421 3.948 0.646 1.00 74.01 H new ATOM 512 N ILE A 35 1.951 -0.955 5.973 1.00 63.33 N ATOM 513 CA ILE A 35 2.941 -1.808 6.622 1.00 10.14 C ATOM 514 C ILE A 35 2.337 -2.465 7.861 1.00 10.54 C ATOM 515 O ILE A 35 2.563 -3.648 8.128 1.00 4.23 O ATOM 516 CB ILE A 35 4.217 -1.028 7.018 1.00 23.24 C ATOM 517 CG1 ILE A 35 4.966 -0.564 5.767 1.00 14.53 C ATOM 518 CG2 ILE A 35 5.126 -1.886 7.890 1.00 2.43 C ATOM 519 CD1 ILE A 35 6.291 0.107 6.065 1.00 73.21 C ATOM 0 H ILE A 35 2.163 0.042 5.999 1.00 63.33 H new ATOM 0 HA ILE A 35 3.230 -2.572 5.900 1.00 10.14 H new ATOM 0 HB ILE A 35 3.917 -0.152 7.593 1.00 23.24 H new ATOM 0 HG12 ILE A 35 5.141 -1.423 5.120 1.00 14.53 H new ATOM 0 HG13 ILE A 35 4.334 0.130 5.212 1.00 14.53 H new ATOM 0 HG21 ILE A 35 6.017 -1.317 8.157 1.00 2.43 H new ATOM 0 HG22 ILE A 35 4.594 -2.174 8.797 1.00 2.43 H new ATOM 0 HG23 ILE A 35 5.418 -2.781 7.341 1.00 2.43 H new ATOM 0 HD11 ILE A 35 6.764 0.409 5.131 1.00 73.21 H new ATOM 0 HD12 ILE A 35 6.122 0.986 6.687 1.00 73.21 H new ATOM 0 HD13 ILE A 35 6.942 -0.591 6.592 1.00 73.21 H new ATOM 531 N GLU A 36 1.545 -1.697 8.598 1.00 4.24 N ATOM 532 CA GLU A 36 0.877 -2.197 9.785 1.00 3.00 C ATOM 533 C GLU A 36 -0.118 -3.292 9.431 1.00 13.44 C ATOM 534 O GLU A 36 -0.240 -4.295 10.141 1.00 13.41 O ATOM 535 CB GLU A 36 0.181 -1.042 10.504 1.00 73.32 C ATOM 536 CG GLU A 36 0.986 -0.472 11.658 1.00 31.34 C ATOM 537 CD GLU A 36 1.131 -1.459 12.797 1.00 43.43 C ATOM 538 OE1 GLU A 36 1.871 -2.452 12.643 1.00 12.42 O ATOM 539 OE2 GLU A 36 0.503 -1.244 13.854 1.00 71.02 O ATOM 0 H GLU A 36 1.351 -0.718 8.389 1.00 4.24 H new ATOM 0 HA GLU A 36 1.622 -2.634 10.451 1.00 3.00 H new ATOM 0 HB2 GLU A 36 -0.022 -0.247 9.786 1.00 73.32 H new ATOM 0 HB3 GLU A 36 -0.783 -1.386 10.879 1.00 73.32 H new ATOM 0 HG2 GLU A 36 1.975 -0.184 11.301 1.00 31.34 H new ATOM 0 HG3 GLU A 36 0.502 0.434 12.024 1.00 31.34 H new ATOM 546 N LEU A 37 -0.829 -3.096 8.333 1.00 43.35 N ATOM 547 CA LEU A 37 -1.740 -4.102 7.818 1.00 70.42 C ATOM 548 C LEU A 37 -0.945 -5.318 7.347 1.00 55.22 C ATOM 549 O LEU A 37 -1.347 -6.462 7.561 1.00 13.12 O ATOM 550 CB LEU A 37 -2.553 -3.512 6.660 1.00 3.15 C ATOM 551 CG LEU A 37 -4.018 -3.945 6.587 1.00 1.14 C ATOM 552 CD1 LEU A 37 -4.736 -3.195 5.478 1.00 2.12 C ATOM 553 CD2 LEU A 37 -4.137 -5.445 6.367 1.00 44.14 C ATOM 0 H LEU A 37 -0.791 -2.241 7.778 1.00 43.35 H new ATOM 0 HA LEU A 37 -2.426 -4.415 8.605 1.00 70.42 H new ATOM 0 HB2 LEU A 37 -2.518 -2.425 6.733 1.00 3.15 H new ATOM 0 HB3 LEU A 37 -2.066 -3.784 5.723 1.00 3.15 H new ATOM 0 HG LEU A 37 -4.487 -3.703 7.541 1.00 1.14 H new ATOM 0 HD11 LEU A 37 -5.778 -3.514 5.438 1.00 2.12 H new ATOM 0 HD12 LEU A 37 -4.692 -2.124 5.675 1.00 2.12 H new ATOM 0 HD13 LEU A 37 -4.255 -3.408 4.524 1.00 2.12 H new ATOM 0 HD21 LEU A 37 -5.190 -5.723 6.319 1.00 44.14 H new ATOM 0 HD22 LEU A 37 -3.647 -5.715 5.431 1.00 44.14 H new ATOM 0 HD23 LEU A 37 -3.659 -5.973 7.192 1.00 44.14 H new ATOM 565 N ALA A 38 0.210 -5.055 6.745 1.00 4.12 N ATOM 566 CA ALA A 38 1.040 -6.107 6.173 1.00 35.32 C ATOM 567 C ALA A 38 1.570 -7.034 7.255 1.00 11.23 C ATOM 568 O ALA A 38 1.560 -8.249 7.095 1.00 65.22 O ATOM 569 CB ALA A 38 2.190 -5.510 5.373 1.00 32.51 C ATOM 0 H ALA A 38 0.594 -4.116 6.641 1.00 4.12 H new ATOM 0 HA ALA A 38 0.418 -6.695 5.498 1.00 35.32 H new ATOM 0 HB1 ALA A 38 2.797 -6.313 4.955 1.00 32.51 H new ATOM 0 HB2 ALA A 38 1.791 -4.897 4.564 1.00 32.51 H new ATOM 0 HB3 ALA A 38 2.806 -4.892 6.027 1.00 32.51 H new ATOM 575 N LYS A 39 2.022 -6.455 8.360 1.00 3.13 N ATOM 576 CA LYS A 39 2.540 -7.238 9.474 1.00 63.04 C ATOM 577 C LYS A 39 1.446 -8.106 10.092 1.00 25.15 C ATOM 578 O LYS A 39 1.718 -9.191 10.604 1.00 74.21 O ATOM 579 CB LYS A 39 3.145 -6.319 10.535 1.00 4.03 C ATOM 580 CG LYS A 39 4.389 -5.578 10.068 1.00 21.23 C ATOM 581 CD LYS A 39 4.971 -4.721 11.184 1.00 31.03 C ATOM 582 CE LYS A 39 6.227 -3.984 10.745 1.00 32.44 C ATOM 583 NZ LYS A 39 7.326 -4.915 10.380 1.00 54.11 N ATOM 0 H LYS A 39 2.040 -5.446 8.509 1.00 3.13 H new ATOM 0 HA LYS A 39 3.319 -7.895 9.089 1.00 63.04 H new ATOM 0 HB2 LYS A 39 2.394 -5.591 10.843 1.00 4.03 H new ATOM 0 HB3 LYS A 39 3.395 -6.911 11.415 1.00 4.03 H new ATOM 0 HG2 LYS A 39 5.137 -6.295 9.729 1.00 21.23 H new ATOM 0 HG3 LYS A 39 4.141 -4.948 9.214 1.00 21.23 H new ATOM 0 HD2 LYS A 39 4.224 -3.999 11.513 1.00 31.03 H new ATOM 0 HD3 LYS A 39 5.203 -5.352 12.042 1.00 31.03 H new ATOM 0 HE2 LYS A 39 5.993 -3.348 9.891 1.00 32.44 H new ATOM 0 HE3 LYS A 39 6.561 -3.328 11.549 1.00 32.44 H new ATOM 0 HZ1 LYS A 39 8.055 -4.898 11.121 1.00 54.11 H new ATOM 0 HZ2 LYS A 39 6.948 -5.879 10.288 1.00 54.11 H new ATOM 0 HZ3 LYS A 39 7.745 -4.620 9.475 1.00 54.11 H new ATOM 597 N SER A 40 0.211 -7.628 10.031 1.00 62.43 N ATOM 598 CA SER A 40 -0.921 -8.363 10.571 1.00 44.14 C ATOM 599 C SER A 40 -1.264 -9.543 9.662 1.00 14.14 C ATOM 600 O SER A 40 -1.681 -10.603 10.130 1.00 13.23 O ATOM 601 CB SER A 40 -2.128 -7.428 10.722 1.00 61.31 C ATOM 602 OG SER A 40 -3.236 -8.087 11.315 1.00 3.02 O ATOM 0 H SER A 40 -0.032 -6.731 9.611 1.00 62.43 H new ATOM 0 HA SER A 40 -0.658 -8.752 11.555 1.00 44.14 H new ATOM 0 HB2 SER A 40 -1.848 -6.569 11.331 1.00 61.31 H new ATOM 0 HB3 SER A 40 -2.415 -7.044 9.743 1.00 61.31 H new ATOM 0 HG SER A 40 -3.985 -7.460 11.396 1.00 3.02 H new ATOM 608 N VAL A 41 -1.068 -9.355 8.363 1.00 72.35 N ATOM 609 CA VAL A 41 -1.353 -10.398 7.387 1.00 20.05 C ATOM 610 C VAL A 41 -0.193 -11.383 7.287 1.00 65.12 C ATOM 611 O VAL A 41 -0.401 -12.594 7.196 1.00 22.32 O ATOM 612 CB VAL A 41 -1.640 -9.803 5.990 1.00 51.35 C ATOM 613 CG1 VAL A 41 -1.876 -10.903 4.965 1.00 3.32 C ATOM 614 CG2 VAL A 41 -2.834 -8.867 6.044 1.00 55.11 C ATOM 0 H VAL A 41 -0.712 -8.488 7.961 1.00 72.35 H new ATOM 0 HA VAL A 41 -2.243 -10.924 7.733 1.00 20.05 H new ATOM 0 HB VAL A 41 -0.763 -9.233 5.681 1.00 51.35 H new ATOM 0 HG11 VAL A 41 -2.076 -10.456 3.991 1.00 3.32 H new ATOM 0 HG12 VAL A 41 -0.991 -11.535 4.900 1.00 3.32 H new ATOM 0 HG13 VAL A 41 -2.731 -11.507 5.269 1.00 3.32 H new ATOM 0 HG21 VAL A 41 -3.021 -8.458 5.051 1.00 55.11 H new ATOM 0 HG22 VAL A 41 -3.713 -9.417 6.381 1.00 55.11 H new ATOM 0 HG23 VAL A 41 -2.627 -8.053 6.739 1.00 55.11 H new ATOM 624 N CYS A 42 1.026 -10.865 7.331 1.00 65.15 N ATOM 625 CA CYS A 42 2.208 -11.680 7.144 1.00 52.22 C ATOM 626 C CYS A 42 3.213 -11.416 8.253 1.00 4.15 C ATOM 627 O CYS A 42 3.589 -10.269 8.512 1.00 61.42 O ATOM 628 CB CYS A 42 2.834 -11.390 5.781 1.00 61.44 C ATOM 629 SG CYS A 42 4.285 -12.396 5.393 1.00 63.23 S ATOM 0 H CYS A 42 1.218 -9.877 7.496 1.00 65.15 H new ATOM 0 HA CYS A 42 1.919 -12.730 7.182 1.00 52.22 H new ATOM 0 HB2 CYS A 42 2.081 -11.548 5.009 1.00 61.44 H new ATOM 0 HB3 CYS A 42 3.116 -10.338 5.741 1.00 61.44 H new ATOM 0 HG CYS A 42 4.154 -12.906 4.204 1.00 63.23 H new ATOM 635 N ALA A 43 3.633 -12.482 8.910 1.00 63.53 N ATOM 636 CA ALA A 43 4.582 -12.383 10.005 1.00 21.34 C ATOM 637 C ALA A 43 5.940 -11.904 9.508 1.00 33.43 C ATOM 638 O ALA A 43 6.470 -10.902 9.988 1.00 62.14 O ATOM 639 CB ALA A 43 4.713 -13.722 10.713 1.00 23.50 C ATOM 0 H ALA A 43 3.329 -13.433 8.702 1.00 63.53 H new ATOM 0 HA ALA A 43 4.206 -11.648 10.717 1.00 21.34 H new ATOM 0 HB1 ALA A 43 5.428 -13.633 11.531 1.00 23.50 H new ATOM 0 HB2 ALA A 43 3.743 -14.020 11.110 1.00 23.50 H new ATOM 0 HB3 ALA A 43 5.063 -14.475 10.006 1.00 23.50 H new ATOM 645 N GLY A 44 6.484 -12.608 8.525 1.00 51.55 N ATOM 646 CA GLY A 44 7.800 -12.277 8.016 1.00 43.22 C ATOM 647 C GLY A 44 7.753 -11.650 6.640 1.00 70.43 C ATOM 648 O GLY A 44 8.440 -12.101 5.720 1.00 75.43 O ATOM 0 H GLY A 44 6.037 -13.404 8.070 1.00 51.55 H new ATOM 0 HA2 GLY A 44 8.290 -11.591 8.707 1.00 43.22 H new ATOM 0 HA3 GLY A 44 8.408 -13.181 7.978 1.00 43.22 H new ATOM 652 N VAL A 45 6.946 -10.611 6.497 1.00 23.52 N ATOM 653 CA VAL A 45 6.829 -9.912 5.225 1.00 40.25 C ATOM 654 C VAL A 45 8.073 -9.063 4.960 1.00 11.10 C ATOM 655 O VAL A 45 8.485 -8.257 5.797 1.00 53.34 O ATOM 656 CB VAL A 45 5.553 -9.029 5.172 1.00 24.22 C ATOM 657 CG1 VAL A 45 5.503 -8.053 6.339 1.00 43.22 C ATOM 658 CG2 VAL A 45 5.459 -8.287 3.844 1.00 52.45 C ATOM 0 H VAL A 45 6.363 -10.233 7.244 1.00 23.52 H new ATOM 0 HA VAL A 45 6.745 -10.667 4.444 1.00 40.25 H new ATOM 0 HB VAL A 45 4.691 -9.692 5.256 1.00 24.22 H new ATOM 0 HG11 VAL A 45 4.597 -7.451 6.271 1.00 43.22 H new ATOM 0 HG12 VAL A 45 5.500 -8.608 7.277 1.00 43.22 H new ATOM 0 HG13 VAL A 45 6.376 -7.401 6.306 1.00 43.22 H new ATOM 0 HG21 VAL A 45 4.557 -7.676 3.832 1.00 52.45 H new ATOM 0 HG22 VAL A 45 6.333 -7.647 3.722 1.00 52.45 H new ATOM 0 HG23 VAL A 45 5.420 -9.007 3.027 1.00 52.45 H new ATOM 668 N GLU A 46 8.689 -9.276 3.805 1.00 33.43 N ATOM 669 CA GLU A 46 9.874 -8.527 3.414 1.00 70.32 C ATOM 670 C GLU A 46 9.487 -7.462 2.406 1.00 74.04 C ATOM 671 O GLU A 46 8.985 -7.767 1.328 1.00 31.42 O ATOM 672 CB GLU A 46 10.924 -9.457 2.807 1.00 61.00 C ATOM 673 CG GLU A 46 11.268 -10.636 3.692 1.00 44.34 C ATOM 674 CD GLU A 46 12.273 -11.572 3.052 1.00 34.55 C ATOM 675 OE1 GLU A 46 11.904 -12.295 2.104 1.00 13.14 O ATOM 676 OE2 GLU A 46 13.440 -11.594 3.503 1.00 63.33 O ATOM 0 H GLU A 46 8.384 -9.966 3.119 1.00 33.43 H new ATOM 0 HA GLU A 46 10.301 -8.057 4.300 1.00 70.32 H new ATOM 0 HB2 GLU A 46 10.560 -9.826 1.848 1.00 61.00 H new ATOM 0 HB3 GLU A 46 11.831 -8.887 2.606 1.00 61.00 H new ATOM 0 HG2 GLU A 46 11.668 -10.271 4.638 1.00 44.34 H new ATOM 0 HG3 GLU A 46 10.358 -11.189 3.923 1.00 44.34 H new ATOM 683 N TYR A 47 9.716 -6.218 2.750 1.00 31.15 N ATOM 684 CA TYR A 47 9.277 -5.124 1.909 1.00 44.13 C ATOM 685 C TYR A 47 10.381 -4.118 1.654 1.00 42.44 C ATOM 686 O TYR A 47 11.206 -3.837 2.522 1.00 31.31 O ATOM 687 CB TYR A 47 8.049 -4.429 2.511 1.00 3.11 C ATOM 688 CG TYR A 47 8.142 -4.156 4.000 1.00 22.03 C ATOM 689 CD1 TYR A 47 8.781 -3.022 4.487 1.00 34.31 C ATOM 690 CD2 TYR A 47 7.581 -5.036 4.918 1.00 22.35 C ATOM 691 CE1 TYR A 47 8.855 -2.773 5.845 1.00 24.33 C ATOM 692 CE2 TYR A 47 7.651 -4.794 6.275 1.00 13.43 C ATOM 693 CZ TYR A 47 8.291 -3.665 6.734 1.00 51.54 C ATOM 694 OH TYR A 47 8.361 -3.428 8.089 1.00 61.54 O ATOM 0 H TYR A 47 10.201 -5.936 3.602 1.00 31.15 H new ATOM 0 HA TYR A 47 9.001 -5.556 0.947 1.00 44.13 H new ATOM 0 HB2 TYR A 47 7.892 -3.484 1.991 1.00 3.11 H new ATOM 0 HB3 TYR A 47 7.170 -5.046 2.323 1.00 3.11 H new ATOM 0 HD1 TYR A 47 9.227 -2.324 3.794 1.00 34.31 H new ATOM 0 HD2 TYR A 47 7.081 -5.925 4.563 1.00 22.35 H new ATOM 0 HE1 TYR A 47 9.352 -1.885 6.208 1.00 24.33 H new ATOM 0 HE2 TYR A 47 7.206 -5.487 6.973 1.00 13.43 H new ATOM 0 HH TYR A 47 8.382 -2.462 8.251 1.00 61.54 H new ATOM 704 N ASN A 48 10.405 -3.605 0.438 1.00 3.22 N ATOM 705 CA ASN A 48 11.287 -2.503 0.085 1.00 33.42 C ATOM 706 C ASN A 48 10.464 -1.252 -0.113 1.00 65.54 C ATOM 707 O ASN A 48 9.239 -1.317 -0.235 1.00 14.43 O ATOM 708 CB ASN A 48 12.079 -2.774 -1.195 1.00 52.42 C ATOM 709 CG ASN A 48 13.234 -3.750 -1.023 1.00 13.13 C ATOM 710 OD1 ASN A 48 14.182 -3.735 -1.810 1.00 44.21 O ATOM 711 ND2 ASN A 48 13.188 -4.580 0.007 1.00 64.32 N ATOM 0 H ASN A 48 9.819 -3.936 -0.329 1.00 3.22 H new ATOM 0 HA ASN A 48 11.999 -2.383 0.901 1.00 33.42 H new ATOM 0 HB2 ASN A 48 11.399 -3.164 -1.953 1.00 52.42 H new ATOM 0 HB3 ASN A 48 12.470 -1.829 -1.573 1.00 52.42 H new ATOM 0 HD21 ASN A 48 13.953 -5.235 0.169 1.00 64.32 H new ATOM 0 HD22 ASN A 48 12.387 -4.565 0.639 1.00 64.32 H new ATOM 718 N VAL A 49 11.139 -0.126 -0.178 1.00 63.41 N ATOM 719 CA VAL A 49 10.480 1.171 -0.283 1.00 4.53 C ATOM 720 C VAL A 49 11.338 2.107 -1.126 1.00 11.10 C ATOM 721 O VAL A 49 12.566 1.995 -1.128 1.00 1.34 O ATOM 722 CB VAL A 49 10.243 1.826 1.111 1.00 4.24 C ATOM 723 CG1 VAL A 49 9.455 3.121 0.981 1.00 73.40 C ATOM 724 CG2 VAL A 49 9.532 0.879 2.070 1.00 44.15 C ATOM 0 H VAL A 49 12.158 -0.076 -0.160 1.00 63.41 H new ATOM 0 HA VAL A 49 9.508 1.007 -0.749 1.00 4.53 H new ATOM 0 HB VAL A 49 11.226 2.051 1.525 1.00 4.24 H new ATOM 0 HG11 VAL A 49 9.304 3.556 1.969 1.00 73.40 H new ATOM 0 HG12 VAL A 49 10.008 3.822 0.356 1.00 73.40 H new ATOM 0 HG13 VAL A 49 8.487 2.914 0.525 1.00 73.40 H new ATOM 0 HG21 VAL A 49 9.386 1.375 3.030 1.00 44.15 H new ATOM 0 HG22 VAL A 49 8.563 0.600 1.655 1.00 44.15 H new ATOM 0 HG23 VAL A 49 10.137 -0.017 2.212 1.00 44.15 H new ATOM 734 N SER A 50 10.698 3.001 -1.865 1.00 70.45 N ATOM 735 CA SER A 50 11.420 4.019 -2.607 1.00 41.21 C ATOM 736 C SER A 50 12.021 5.035 -1.640 1.00 54.13 C ATOM 737 O SER A 50 11.675 5.060 -0.457 1.00 24.51 O ATOM 738 CB SER A 50 10.485 4.722 -3.589 1.00 64.03 C ATOM 739 OG SER A 50 9.681 3.781 -4.276 1.00 23.32 O ATOM 0 H SER A 50 9.684 3.041 -1.966 1.00 70.45 H new ATOM 0 HA SER A 50 12.223 3.542 -3.170 1.00 41.21 H new ATOM 0 HB2 SER A 50 9.850 5.427 -3.053 1.00 64.03 H new ATOM 0 HB3 SER A 50 11.069 5.300 -4.305 1.00 64.03 H new ATOM 0 HG SER A 50 9.464 4.125 -5.167 1.00 23.32 H new ATOM 745 N GLU A 51 12.912 5.864 -2.142 1.00 3.41 N ATOM 746 CA GLU A 51 13.566 6.861 -1.314 1.00 12.15 C ATOM 747 C GLU A 51 12.681 8.091 -1.163 1.00 22.31 C ATOM 748 O GLU A 51 12.162 8.627 -2.145 1.00 2.43 O ATOM 749 CB GLU A 51 14.927 7.235 -1.904 1.00 32.33 C ATOM 750 CG GLU A 51 14.876 7.624 -3.370 1.00 2.21 C ATOM 751 CD GLU A 51 16.251 7.856 -3.952 1.00 21.13 C ATOM 752 OE1 GLU A 51 16.933 6.864 -4.292 1.00 34.43 O ATOM 753 OE2 GLU A 51 16.660 9.025 -4.080 1.00 64.30 O ATOM 0 H GLU A 51 13.202 5.869 -3.120 1.00 3.41 H new ATOM 0 HA GLU A 51 13.730 6.438 -0.323 1.00 12.15 H new ATOM 0 HB2 GLU A 51 15.344 8.064 -1.333 1.00 32.33 H new ATOM 0 HB3 GLU A 51 15.607 6.392 -1.785 1.00 32.33 H new ATOM 0 HG2 GLU A 51 14.373 6.839 -3.934 1.00 2.21 H new ATOM 0 HG3 GLU A 51 14.279 8.529 -3.482 1.00 2.21 H new ATOM 760 N LEU A 52 12.493 8.515 0.078 1.00 13.25 N ATOM 761 CA LEU A 52 11.656 9.664 0.373 1.00 34.34 C ATOM 762 C LEU A 52 12.445 10.953 0.206 1.00 44.25 C ATOM 763 O LEU A 52 13.493 11.141 0.829 1.00 53.14 O ATOM 764 CB LEU A 52 11.090 9.566 1.793 1.00 41.25 C ATOM 765 CG LEU A 52 10.102 8.423 2.021 1.00 71.02 C ATOM 766 CD1 LEU A 52 9.636 8.404 3.467 1.00 60.23 C ATOM 767 CD2 LEU A 52 8.914 8.551 1.079 1.00 23.35 C ATOM 0 H LEU A 52 12.912 8.077 0.899 1.00 13.25 H new ATOM 0 HA LEU A 52 10.824 9.673 -0.331 1.00 34.34 H new ATOM 0 HB2 LEU A 52 11.920 9.453 2.491 1.00 41.25 H new ATOM 0 HB3 LEU A 52 10.595 10.507 2.036 1.00 41.25 H new ATOM 0 HG LEU A 52 10.609 7.481 1.810 1.00 71.02 H new ATOM 0 HD11 LEU A 52 8.933 7.584 3.612 1.00 60.23 H new ATOM 0 HD12 LEU A 52 10.495 8.266 4.124 1.00 60.23 H new ATOM 0 HD13 LEU A 52 9.146 9.348 3.704 1.00 60.23 H new ATOM 0 HD21 LEU A 52 8.220 7.729 1.255 1.00 23.35 H new ATOM 0 HD22 LEU A 52 8.407 9.499 1.260 1.00 23.35 H new ATOM 0 HD23 LEU A 52 9.263 8.517 0.047 1.00 23.35 H new ATOM 779 N THR A 53 11.937 11.831 -0.639 1.00 14.14 N ATOM 780 CA THR A 53 12.593 13.093 -0.917 1.00 70.31 C ATOM 781 C THR A 53 11.671 14.254 -0.571 1.00 61.25 C ATOM 782 O THR A 53 10.559 14.050 -0.080 1.00 24.31 O ATOM 783 CB THR A 53 13.014 13.188 -2.400 1.00 65.10 C ATOM 784 OG1 THR A 53 11.876 12.980 -3.245 1.00 21.54 O ATOM 785 CG2 THR A 53 14.092 12.164 -2.732 1.00 62.13 C ATOM 0 H THR A 53 11.064 11.690 -1.148 1.00 14.14 H new ATOM 0 HA THR A 53 13.490 13.146 -0.300 1.00 70.31 H new ATOM 0 HB THR A 53 13.421 14.184 -2.573 1.00 65.10 H new ATOM 0 HG1 THR A 53 11.081 12.830 -2.692 1.00 21.54 H new ATOM 0 HG21 THR A 53 14.368 12.254 -3.782 1.00 62.13 H new ATOM 0 HG22 THR A 53 14.968 12.343 -2.109 1.00 62.13 H new ATOM 0 HG23 THR A 53 13.711 11.160 -2.542 1.00 62.13 H new ATOM 793 N GLU A 54 12.136 15.464 -0.822 1.00 2.43 N ATOM 794 CA GLU A 54 11.356 16.656 -0.561 1.00 32.32 C ATOM 795 C GLU A 54 10.220 16.801 -1.566 1.00 73.22 C ATOM 796 O GLU A 54 9.123 17.239 -1.226 1.00 62.21 O ATOM 797 CB GLU A 54 12.269 17.879 -0.621 1.00 52.12 C ATOM 798 CG GLU A 54 12.893 18.130 -1.988 1.00 43.30 C ATOM 799 CD GLU A 54 13.797 19.344 -1.999 1.00 72.22 C ATOM 800 OE1 GLU A 54 13.279 20.480 -2.068 1.00 24.21 O ATOM 801 OE2 GLU A 54 15.028 19.172 -1.930 1.00 62.13 O ATOM 0 H GLU A 54 13.061 15.646 -1.211 1.00 2.43 H new ATOM 0 HA GLU A 54 10.915 16.574 0.432 1.00 32.32 H new ATOM 0 HB2 GLU A 54 11.697 18.760 -0.329 1.00 52.12 H new ATOM 0 HB3 GLU A 54 13.066 17.759 0.113 1.00 52.12 H new ATOM 0 HG2 GLU A 54 13.465 17.252 -2.289 1.00 43.30 H new ATOM 0 HG3 GLU A 54 12.102 18.264 -2.726 1.00 43.30 H new ATOM 808 N GLU A 55 10.492 16.412 -2.801 1.00 14.25 N ATOM 809 CA GLU A 55 9.570 16.654 -3.902 1.00 54.13 C ATOM 810 C GLU A 55 8.687 15.446 -4.208 1.00 23.51 C ATOM 811 O GLU A 55 7.760 15.552 -5.012 1.00 24.14 O ATOM 812 CB GLU A 55 10.357 17.045 -5.153 1.00 21.20 C ATOM 813 CG GLU A 55 11.358 15.990 -5.600 1.00 20.54 C ATOM 814 CD GLU A 55 12.168 16.431 -6.800 1.00 24.02 C ATOM 815 OE1 GLU A 55 11.619 16.448 -7.923 1.00 54.22 O ATOM 816 OE2 GLU A 55 13.357 16.773 -6.623 1.00 33.14 O ATOM 0 H GLU A 55 11.347 15.925 -3.068 1.00 14.25 H new ATOM 0 HA GLU A 55 8.910 17.466 -3.598 1.00 54.13 H new ATOM 0 HB2 GLU A 55 9.657 17.237 -5.966 1.00 21.20 H new ATOM 0 HB3 GLU A 55 10.887 17.978 -4.961 1.00 21.20 H new ATOM 0 HG2 GLU A 55 12.032 15.761 -4.775 1.00 20.54 H new ATOM 0 HG3 GLU A 55 10.827 15.070 -5.843 1.00 20.54 H new ATOM 823 N SER A 56 8.967 14.311 -3.575 1.00 55.20 N ATOM 824 CA SER A 56 8.250 13.074 -3.878 1.00 5.23 C ATOM 825 C SER A 56 6.779 13.144 -3.488 1.00 33.35 C ATOM 826 O SER A 56 6.433 13.299 -2.315 1.00 52.31 O ATOM 827 CB SER A 56 8.915 11.883 -3.192 1.00 71.21 C ATOM 828 OG SER A 56 9.476 12.264 -1.949 1.00 42.50 O ATOM 0 H SER A 56 9.681 14.221 -2.852 1.00 55.20 H new ATOM 0 HA SER A 56 8.297 12.941 -4.959 1.00 5.23 H new ATOM 0 HB2 SER A 56 8.182 11.092 -3.037 1.00 71.21 H new ATOM 0 HB3 SER A 56 9.693 11.475 -3.837 1.00 71.21 H new ATOM 0 HG SER A 56 8.817 12.778 -1.436 1.00 42.50 H new ATOM 834 N LYS A 57 5.931 13.042 -4.495 1.00 31.35 N ATOM 835 CA LYS A 57 4.496 12.946 -4.303 1.00 64.41 C ATOM 836 C LYS A 57 4.082 11.493 -4.139 1.00 45.41 C ATOM 837 O LYS A 57 3.033 11.204 -3.569 1.00 14.32 O ATOM 838 CB LYS A 57 3.755 13.554 -5.498 1.00 0.33 C ATOM 839 CG LYS A 57 3.161 14.927 -5.234 1.00 2.12 C ATOM 840 CD LYS A 57 4.217 15.938 -4.826 1.00 22.42 C ATOM 841 CE LYS A 57 3.626 17.332 -4.695 1.00 11.24 C ATOM 842 NZ LYS A 57 2.527 17.385 -3.695 1.00 42.32 N ATOM 0 H LYS A 57 6.220 13.023 -5.473 1.00 31.35 H new ATOM 0 HA LYS A 57 4.235 13.499 -3.401 1.00 64.41 H new ATOM 0 HB2 LYS A 57 4.444 13.625 -6.340 1.00 0.33 H new ATOM 0 HB3 LYS A 57 2.955 12.877 -5.797 1.00 0.33 H new ATOM 0 HG2 LYS A 57 2.650 15.279 -6.130 1.00 2.12 H new ATOM 0 HG3 LYS A 57 2.410 14.851 -4.448 1.00 2.12 H new ATOM 0 HD2 LYS A 57 4.662 15.639 -3.877 1.00 22.42 H new ATOM 0 HD3 LYS A 57 5.018 15.948 -5.565 1.00 22.42 H new ATOM 0 HE2 LYS A 57 4.411 18.032 -4.407 1.00 11.24 H new ATOM 0 HE3 LYS A 57 3.249 17.657 -5.664 1.00 11.24 H new ATOM 0 HZ1 LYS A 57 2.350 18.374 -3.426 1.00 42.32 H new ATOM 0 HZ2 LYS A 57 1.663 16.978 -4.107 1.00 42.32 H new ATOM 0 HZ3 LYS A 57 2.798 16.840 -2.852 1.00 42.32 H new ATOM 856 N GLU A 58 4.913 10.580 -4.631 1.00 60.12 N ATOM 857 CA GLU A 58 4.582 9.164 -4.592 1.00 51.14 C ATOM 858 C GLU A 58 5.747 8.339 -4.060 1.00 11.45 C ATOM 859 O GLU A 58 6.897 8.783 -4.077 1.00 54.24 O ATOM 860 CB GLU A 58 4.182 8.650 -5.983 1.00 70.31 C ATOM 861 CG GLU A 58 5.317 8.626 -7.004 1.00 33.04 C ATOM 862 CD GLU A 58 5.319 9.827 -7.934 1.00 52.32 C ATOM 863 OE1 GLU A 58 4.606 9.788 -8.956 1.00 43.54 O ATOM 864 OE2 GLU A 58 6.051 10.802 -7.662 1.00 41.03 O ATOM 0 H GLU A 58 5.814 10.795 -5.058 1.00 60.12 H new ATOM 0 HA GLU A 58 3.734 9.051 -3.916 1.00 51.14 H new ATOM 0 HB2 GLU A 58 3.781 7.641 -5.881 1.00 70.31 H new ATOM 0 HB3 GLU A 58 3.377 9.275 -6.369 1.00 70.31 H new ATOM 0 HG2 GLU A 58 6.270 8.583 -6.476 1.00 33.04 H new ATOM 0 HG3 GLU A 58 5.241 7.716 -7.599 1.00 33.04 H new ATOM 871 N LEU A 59 5.436 7.145 -3.574 1.00 32.41 N ATOM 872 CA LEU A 59 6.456 6.188 -3.169 1.00 32.00 C ATOM 873 C LEU A 59 5.973 4.773 -3.441 1.00 5.22 C ATOM 874 O LEU A 59 4.798 4.455 -3.238 1.00 74.42 O ATOM 875 CB LEU A 59 6.835 6.333 -1.687 1.00 54.43 C ATOM 876 CG LEU A 59 5.797 5.843 -0.662 1.00 43.41 C ATOM 877 CD1 LEU A 59 6.415 5.788 0.726 1.00 40.43 C ATOM 878 CD2 LEU A 59 4.571 6.741 -0.648 1.00 23.13 C ATOM 0 H LEU A 59 4.479 6.815 -3.450 1.00 32.41 H new ATOM 0 HA LEU A 59 7.350 6.396 -3.757 1.00 32.00 H new ATOM 0 HB2 LEU A 59 7.765 5.789 -1.518 1.00 54.43 H new ATOM 0 HB3 LEU A 59 7.040 7.385 -1.489 1.00 54.43 H new ATOM 0 HG LEU A 59 5.482 4.842 -0.956 1.00 43.41 H new ATOM 0 HD11 LEU A 59 5.671 5.440 1.442 1.00 40.43 H new ATOM 0 HD12 LEU A 59 7.262 5.102 0.720 1.00 40.43 H new ATOM 0 HD13 LEU A 59 6.756 6.783 1.012 1.00 40.43 H new ATOM 0 HD21 LEU A 59 3.856 6.369 0.086 1.00 23.13 H new ATOM 0 HD22 LEU A 59 4.867 7.756 -0.384 1.00 23.13 H new ATOM 0 HD23 LEU A 59 4.110 6.742 -1.636 1.00 23.13 H new ATOM 890 N THR A 60 6.876 3.931 -3.906 1.00 3.10 N ATOM 891 CA THR A 60 6.545 2.549 -4.205 1.00 52.12 C ATOM 892 C THR A 60 7.080 1.619 -3.123 1.00 0.22 C ATOM 893 O THR A 60 8.286 1.558 -2.874 1.00 13.35 O ATOM 894 CB THR A 60 7.104 2.121 -5.580 1.00 64.42 C ATOM 895 OG1 THR A 60 6.591 2.987 -6.601 1.00 42.05 O ATOM 896 CG2 THR A 60 6.728 0.681 -5.905 1.00 65.12 C ATOM 0 H THR A 60 7.849 4.180 -4.086 1.00 3.10 H new ATOM 0 HA THR A 60 5.458 2.475 -4.235 1.00 52.12 H new ATOM 0 HB THR A 60 8.191 2.193 -5.540 1.00 64.42 H new ATOM 0 HG1 THR A 60 6.949 2.714 -7.472 1.00 42.05 H new ATOM 0 HG21 THR A 60 7.136 0.409 -6.879 1.00 65.12 H new ATOM 0 HG22 THR A 60 7.136 0.017 -5.143 1.00 65.12 H new ATOM 0 HG23 THR A 60 5.643 0.584 -5.926 1.00 65.12 H new ATOM 904 N ALA A 61 6.169 0.919 -2.466 1.00 62.20 N ATOM 905 CA ALA A 61 6.525 -0.064 -1.466 1.00 55.12 C ATOM 906 C ALA A 61 6.206 -1.454 -1.992 1.00 0.33 C ATOM 907 O ALA A 61 5.069 -1.741 -2.369 1.00 63.12 O ATOM 908 CB ALA A 61 5.785 0.204 -0.165 1.00 22.32 C ATOM 0 H ALA A 61 5.165 1.019 -2.614 1.00 62.20 H new ATOM 0 HA ALA A 61 7.593 0.003 -1.260 1.00 55.12 H new ATOM 0 HB1 ALA A 61 6.066 -0.546 0.575 1.00 22.32 H new ATOM 0 HB2 ALA A 61 6.047 1.195 0.205 1.00 22.32 H new ATOM 0 HB3 ALA A 61 4.710 0.155 -0.341 1.00 22.32 H new ATOM 914 N ARG A 62 7.210 -2.306 -2.030 1.00 24.45 N ATOM 915 CA ARG A 62 7.056 -3.637 -2.589 1.00 22.21 C ATOM 916 C ARG A 62 7.072 -4.675 -1.479 1.00 1.20 C ATOM 917 O ARG A 62 8.076 -4.837 -0.785 1.00 45.20 O ATOM 918 CB ARG A 62 8.168 -3.909 -3.604 1.00 4.02 C ATOM 919 CG ARG A 62 8.128 -5.300 -4.204 1.00 35.15 C ATOM 920 CD ARG A 62 9.102 -5.423 -5.362 1.00 22.14 C ATOM 921 NE ARG A 62 8.724 -4.557 -6.477 1.00 74.33 N ATOM 922 CZ ARG A 62 9.535 -4.205 -7.467 1.00 1.04 C ATOM 923 NH1 ARG A 62 10.806 -4.576 -7.462 1.00 62.14 N ATOM 924 NH2 ARG A 62 9.071 -3.458 -8.455 1.00 15.22 N ATOM 0 H ARG A 62 8.146 -2.101 -1.679 1.00 24.45 H new ATOM 0 HA ARG A 62 6.097 -3.701 -3.103 1.00 22.21 H new ATOM 0 HB2 ARG A 62 8.100 -3.176 -4.408 1.00 4.02 H new ATOM 0 HB3 ARG A 62 9.133 -3.761 -3.119 1.00 4.02 H new ATOM 0 HG2 ARG A 62 8.373 -6.037 -3.439 1.00 35.15 H new ATOM 0 HG3 ARG A 62 7.118 -5.522 -4.549 1.00 35.15 H new ATOM 0 HD2 ARG A 62 10.105 -5.164 -5.023 1.00 22.14 H new ATOM 0 HD3 ARG A 62 9.137 -6.459 -5.700 1.00 22.14 H new ATOM 0 HE ARG A 62 7.770 -4.198 -6.496 1.00 74.33 H new ATOM 0 HH11 ARG A 62 11.170 -5.138 -6.692 1.00 62.14 H new ATOM 0 HH12 ARG A 62 11.421 -4.300 -8.228 1.00 62.14 H new ATOM 0 HH21 ARG A 62 8.096 -3.157 -8.452 1.00 15.22 H new ATOM 0 HH22 ARG A 62 9.688 -3.183 -9.220 1.00 15.22 H new ATOM 938 N PHE A 63 5.958 -5.371 -1.321 1.00 73.21 N ATOM 939 CA PHE A 63 5.797 -6.328 -0.237 1.00 70.24 C ATOM 940 C PHE A 63 5.940 -7.758 -0.741 1.00 23.23 C ATOM 941 O PHE A 63 5.118 -8.235 -1.525 1.00 15.21 O ATOM 942 CB PHE A 63 4.427 -6.156 0.431 1.00 3.24 C ATOM 943 CG PHE A 63 4.222 -4.812 1.075 1.00 35.21 C ATOM 944 CD1 PHE A 63 3.694 -3.754 0.352 1.00 74.24 C ATOM 945 CD2 PHE A 63 4.552 -4.610 2.405 1.00 71.21 C ATOM 946 CE1 PHE A 63 3.500 -2.521 0.945 1.00 75.44 C ATOM 947 CE2 PHE A 63 4.360 -3.379 3.004 1.00 74.41 C ATOM 948 CZ PHE A 63 3.834 -2.333 2.272 1.00 3.42 C ATOM 0 H PHE A 63 5.147 -5.291 -1.934 1.00 73.21 H new ATOM 0 HA PHE A 63 6.583 -6.135 0.494 1.00 70.24 H new ATOM 0 HB2 PHE A 63 3.649 -6.312 -0.316 1.00 3.24 H new ATOM 0 HB3 PHE A 63 4.303 -6.932 1.187 1.00 3.24 H new ATOM 0 HD1 PHE A 63 3.431 -3.895 -0.686 1.00 74.24 H new ATOM 0 HD2 PHE A 63 4.965 -5.425 2.981 1.00 71.21 H new ATOM 0 HE1 PHE A 63 3.087 -1.705 0.371 1.00 75.44 H new ATOM 0 HE2 PHE A 63 4.621 -3.236 4.042 1.00 74.41 H new ATOM 0 HZ PHE A 63 3.684 -1.369 2.736 1.00 3.42 H new ATOM 958 N LYS A 64 6.992 -8.432 -0.306 1.00 1.20 N ATOM 959 CA LYS A 64 7.146 -9.850 -0.569 1.00 71.01 C ATOM 960 C LYS A 64 6.669 -10.641 0.637 1.00 3.22 C ATOM 961 O LYS A 64 7.189 -10.477 1.743 1.00 22.32 O ATOM 962 CB LYS A 64 8.600 -10.219 -0.856 1.00 24.44 C ATOM 963 CG LYS A 64 8.794 -11.721 -0.976 1.00 54.23 C ATOM 964 CD LYS A 64 10.245 -12.128 -0.811 1.00 61.01 C ATOM 965 CE LYS A 64 10.374 -13.635 -0.643 1.00 11.44 C ATOM 966 NZ LYS A 64 9.667 -14.125 0.577 1.00 3.02 N ATOM 0 H LYS A 64 7.753 -8.017 0.232 1.00 1.20 H new ATOM 0 HA LYS A 64 6.551 -10.091 -1.450 1.00 71.01 H new ATOM 0 HB2 LYS A 64 8.921 -9.737 -1.780 1.00 24.44 H new ATOM 0 HB3 LYS A 64 9.236 -9.834 -0.059 1.00 24.44 H new ATOM 0 HG2 LYS A 64 8.190 -12.225 -0.222 1.00 54.23 H new ATOM 0 HG3 LYS A 64 8.433 -12.055 -1.949 1.00 54.23 H new ATOM 0 HD2 LYS A 64 10.818 -11.805 -1.680 1.00 61.01 H new ATOM 0 HD3 LYS A 64 10.671 -11.624 0.057 1.00 61.01 H new ATOM 0 HE2 LYS A 64 9.967 -14.134 -1.523 1.00 11.44 H new ATOM 0 HE3 LYS A 64 11.429 -13.904 -0.583 1.00 11.44 H new ATOM 0 HZ1 LYS A 64 9.970 -15.098 0.787 1.00 3.02 H new ATOM 0 HZ2 LYS A 64 9.898 -13.509 1.383 1.00 3.02 H new ATOM 0 HZ3 LYS A 64 8.640 -14.110 0.413 1.00 3.02 H new ATOM 980 N PHE A 65 5.690 -11.490 0.424 1.00 32.43 N ATOM 981 CA PHE A 65 5.166 -12.325 1.483 1.00 74.12 C ATOM 982 C PHE A 65 5.872 -13.676 1.469 1.00 72.02 C ATOM 983 O PHE A 65 6.796 -13.894 0.678 1.00 24.21 O ATOM 984 CB PHE A 65 3.653 -12.486 1.311 1.00 5.34 C ATOM 985 CG PHE A 65 2.924 -11.171 1.281 1.00 13.15 C ATOM 986 CD1 PHE A 65 2.463 -10.596 2.451 1.00 60.31 C ATOM 987 CD2 PHE A 65 2.704 -10.512 0.081 1.00 44.25 C ATOM 988 CE1 PHE A 65 1.801 -9.386 2.431 1.00 15.54 C ATOM 989 CE2 PHE A 65 2.041 -9.301 0.054 1.00 4.12 C ATOM 990 CZ PHE A 65 1.587 -8.739 1.229 1.00 44.45 C ATOM 0 H PHE A 65 5.237 -11.622 -0.480 1.00 32.43 H new ATOM 0 HA PHE A 65 5.350 -11.856 2.449 1.00 74.12 H new ATOM 0 HB2 PHE A 65 3.453 -13.028 0.386 1.00 5.34 H new ATOM 0 HB3 PHE A 65 3.262 -13.094 2.127 1.00 5.34 H new ATOM 0 HD1 PHE A 65 2.623 -11.101 3.392 1.00 60.31 H new ATOM 0 HD2 PHE A 65 3.055 -10.950 -0.842 1.00 44.25 H new ATOM 0 HE1 PHE A 65 1.451 -8.945 3.353 1.00 15.54 H new ATOM 0 HE2 PHE A 65 1.878 -8.795 -0.886 1.00 4.12 H new ATOM 0 HZ PHE A 65 1.065 -7.794 1.210 1.00 44.45 H new ATOM 1000 N GLU A 66 5.455 -14.577 2.340 1.00 2.30 N ATOM 1001 CA GLU A 66 6.053 -15.896 2.405 1.00 41.20 C ATOM 1002 C GLU A 66 5.265 -16.869 1.552 1.00 4.33 C ATOM 1003 O GLU A 66 5.830 -17.768 0.928 1.00 23.22 O ATOM 1004 CB GLU A 66 6.122 -16.381 3.848 1.00 43.20 C ATOM 1005 CG GLU A 66 7.349 -15.882 4.583 1.00 12.31 C ATOM 1006 CD GLU A 66 8.634 -16.334 3.920 1.00 24.01 C ATOM 1007 OE1 GLU A 66 8.980 -17.531 4.042 1.00 74.32 O ATOM 1008 OE2 GLU A 66 9.296 -15.505 3.258 1.00 63.43 O ATOM 0 H GLU A 66 4.704 -14.418 3.012 1.00 2.30 H new ATOM 0 HA GLU A 66 7.070 -15.838 2.016 1.00 41.20 H new ATOM 0 HB2 GLU A 66 5.229 -16.052 4.379 1.00 43.20 H new ATOM 0 HB3 GLU A 66 6.117 -17.471 3.860 1.00 43.20 H new ATOM 0 HG2 GLU A 66 7.327 -14.793 4.626 1.00 12.31 H new ATOM 0 HG3 GLU A 66 7.326 -16.242 5.612 1.00 12.31 H new ATOM 1015 N VAL A 67 3.957 -16.686 1.539 1.00 4.41 N ATOM 1016 CA VAL A 67 3.090 -17.437 0.651 1.00 33.22 C ATOM 1017 C VAL A 67 2.221 -16.467 -0.137 1.00 32.02 C ATOM 1018 O VAL A 67 1.904 -15.376 0.343 1.00 4.14 O ATOM 1019 CB VAL A 67 2.205 -18.456 1.411 1.00 31.25 C ATOM 1020 CG1 VAL A 67 3.058 -19.464 2.165 1.00 44.13 C ATOM 1021 CG2 VAL A 67 1.251 -17.756 2.360 1.00 3.55 C ATOM 0 H VAL A 67 3.470 -16.019 2.138 1.00 4.41 H new ATOM 0 HA VAL A 67 3.721 -18.013 -0.027 1.00 33.22 H new ATOM 0 HB VAL A 67 1.613 -18.993 0.669 1.00 31.25 H new ATOM 0 HG11 VAL A 67 2.412 -20.167 2.690 1.00 44.13 H new ATOM 0 HG12 VAL A 67 3.688 -20.007 1.460 1.00 44.13 H new ATOM 0 HG13 VAL A 67 3.686 -18.942 2.886 1.00 44.13 H new ATOM 0 HG21 VAL A 67 0.644 -18.498 2.878 1.00 3.55 H new ATOM 0 HG22 VAL A 67 1.821 -17.180 3.089 1.00 3.55 H new ATOM 0 HG23 VAL A 67 0.602 -17.086 1.795 1.00 3.55 H new ATOM 1031 N SER A 68 1.837 -16.851 -1.344 1.00 71.04 N ATOM 1032 CA SER A 68 1.091 -15.961 -2.217 1.00 12.54 C ATOM 1033 C SER A 68 -0.338 -15.769 -1.716 1.00 42.52 C ATOM 1034 O SER A 68 -1.052 -14.871 -2.162 1.00 51.23 O ATOM 1035 CB SER A 68 1.125 -16.502 -3.644 1.00 31.20 C ATOM 1036 OG SER A 68 2.441 -16.901 -3.975 1.00 54.53 O ATOM 0 H SER A 68 2.029 -17.771 -1.740 1.00 71.04 H new ATOM 0 HA SER A 68 1.559 -14.977 -2.210 1.00 12.54 H new ATOM 0 HB2 SER A 68 0.444 -17.348 -3.738 1.00 31.20 H new ATOM 0 HB3 SER A 68 0.781 -15.737 -4.341 1.00 31.20 H new ATOM 0 HG SER A 68 2.408 -17.596 -4.665 1.00 54.53 H new ATOM 1042 N ALA A 69 -0.735 -16.605 -0.765 1.00 5.20 N ATOM 1043 CA ALA A 69 -2.016 -16.448 -0.091 1.00 30.04 C ATOM 1044 C ALA A 69 -2.019 -15.161 0.734 1.00 35.24 C ATOM 1045 O ALA A 69 -2.993 -14.410 0.720 1.00 22.33 O ATOM 1046 CB ALA A 69 -2.305 -17.655 0.793 1.00 14.32 C ATOM 0 H ALA A 69 -0.185 -17.401 -0.443 1.00 5.20 H new ATOM 0 HA ALA A 69 -2.803 -16.382 -0.842 1.00 30.04 H new ATOM 0 HB1 ALA A 69 -3.266 -17.521 1.289 1.00 14.32 H new ATOM 0 HB2 ALA A 69 -2.336 -18.556 0.180 1.00 14.32 H new ATOM 0 HB3 ALA A 69 -1.520 -17.753 1.543 1.00 14.32 H new ATOM 1052 N GLU A 70 -0.905 -14.903 1.428 1.00 12.43 N ATOM 1053 CA GLU A 70 -0.748 -13.694 2.236 1.00 32.24 C ATOM 1054 C GLU A 70 -0.895 -12.455 1.361 1.00 74.25 C ATOM 1055 O GLU A 70 -1.440 -11.436 1.786 1.00 35.43 O ATOM 1056 CB GLU A 70 0.622 -13.693 2.921 1.00 75.42 C ATOM 1057 CG GLU A 70 0.793 -14.779 3.968 1.00 40.34 C ATOM 1058 CD GLU A 70 2.198 -14.816 4.534 1.00 63.40 C ATOM 1059 OE1 GLU A 70 3.158 -14.863 3.738 1.00 15.54 O ATOM 1060 OE2 GLU A 70 2.352 -14.776 5.775 1.00 15.43 O ATOM 0 H GLU A 70 -0.095 -15.522 1.444 1.00 12.43 H new ATOM 0 HA GLU A 70 -1.525 -13.679 3.000 1.00 32.24 H new ATOM 0 HB2 GLU A 70 1.396 -13.810 2.162 1.00 75.42 H new ATOM 0 HB3 GLU A 70 0.781 -12.722 3.391 1.00 75.42 H new ATOM 0 HG2 GLU A 70 0.082 -14.615 4.778 1.00 40.34 H new ATOM 0 HG3 GLU A 70 0.556 -15.747 3.526 1.00 40.34 H new ATOM 1067 N LYS A 71 -0.411 -12.567 0.129 1.00 51.52 N ATOM 1068 CA LYS A 71 -0.526 -11.494 -0.851 1.00 21.41 C ATOM 1069 C LYS A 71 -1.985 -11.159 -1.084 1.00 34.40 C ATOM 1070 O LYS A 71 -2.420 -10.025 -0.883 1.00 72.14 O ATOM 1071 CB LYS A 71 0.106 -11.929 -2.171 1.00 71.22 C ATOM 1072 CG LYS A 71 0.418 -10.779 -3.112 1.00 23.11 C ATOM 1073 CD LYS A 71 1.121 -11.260 -4.374 1.00 52.31 C ATOM 1074 CE LYS A 71 0.172 -11.975 -5.327 1.00 64.02 C ATOM 1075 NZ LYS A 71 -0.743 -11.026 -6.016 1.00 40.23 N ATOM 0 H LYS A 71 0.069 -13.398 -0.217 1.00 51.52 H new ATOM 0 HA LYS A 71 -0.008 -10.614 -0.470 1.00 21.41 H new ATOM 0 HB2 LYS A 71 1.027 -12.473 -1.960 1.00 71.22 H new ATOM 0 HB3 LYS A 71 -0.567 -12.624 -2.673 1.00 71.22 H new ATOM 0 HG2 LYS A 71 -0.506 -10.269 -3.382 1.00 23.11 H new ATOM 0 HG3 LYS A 71 1.047 -10.050 -2.600 1.00 23.11 H new ATOM 0 HD2 LYS A 71 1.571 -10.408 -4.884 1.00 52.31 H new ATOM 0 HD3 LYS A 71 1.933 -11.933 -4.101 1.00 52.31 H new ATOM 0 HE2 LYS A 71 0.750 -12.525 -6.069 1.00 64.02 H new ATOM 0 HE3 LYS A 71 -0.415 -12.707 -4.773 1.00 64.02 H new ATOM 0 HZ1 LYS A 71 -1.044 -11.432 -6.925 1.00 40.23 H new ATOM 0 HZ2 LYS A 71 -1.578 -10.854 -5.420 1.00 40.23 H new ATOM 0 HZ3 LYS A 71 -0.248 -10.127 -6.186 1.00 40.23 H new ATOM 1089 N LEU A 72 -2.730 -12.177 -1.493 1.00 53.44 N ATOM 1090 CA LEU A 72 -4.155 -12.048 -1.781 1.00 1.20 C ATOM 1091 C LEU A 72 -4.911 -11.466 -0.590 1.00 40.11 C ATOM 1092 O LEU A 72 -5.726 -10.563 -0.753 1.00 22.10 O ATOM 1093 CB LEU A 72 -4.740 -13.412 -2.164 1.00 61.23 C ATOM 1094 CG LEU A 72 -4.065 -14.094 -3.355 1.00 51.32 C ATOM 1095 CD1 LEU A 72 -4.712 -15.439 -3.629 1.00 62.22 C ATOM 1096 CD2 LEU A 72 -4.129 -13.207 -4.590 1.00 50.42 C ATOM 0 H LEU A 72 -2.364 -13.118 -1.635 1.00 53.44 H new ATOM 0 HA LEU A 72 -4.269 -11.361 -2.619 1.00 1.20 H new ATOM 0 HB2 LEU A 72 -4.674 -14.074 -1.301 1.00 61.23 H new ATOM 0 HB3 LEU A 72 -5.799 -13.286 -2.389 1.00 61.23 H new ATOM 0 HG LEU A 72 -3.016 -14.258 -3.109 1.00 51.32 H new ATOM 0 HD11 LEU A 72 -4.221 -15.912 -4.479 1.00 62.22 H new ATOM 0 HD12 LEU A 72 -4.612 -16.077 -2.751 1.00 62.22 H new ATOM 0 HD13 LEU A 72 -5.769 -15.295 -3.854 1.00 62.22 H new ATOM 0 HD21 LEU A 72 -3.643 -13.711 -5.426 1.00 50.42 H new ATOM 0 HD22 LEU A 72 -5.171 -13.009 -4.842 1.00 50.42 H new ATOM 0 HD23 LEU A 72 -3.619 -12.265 -4.388 1.00 50.42 H new ATOM 1108 N ILE A 73 -4.621 -11.972 0.604 1.00 15.34 N ATOM 1109 CA ILE A 73 -5.271 -11.496 1.824 1.00 61.10 C ATOM 1110 C ILE A 73 -5.024 -10.001 2.028 1.00 44.14 C ATOM 1111 O ILE A 73 -5.949 -9.245 2.341 1.00 2.43 O ATOM 1112 CB ILE A 73 -4.764 -12.269 3.063 1.00 24.44 C ATOM 1113 CG1 ILE A 73 -5.044 -13.766 2.911 1.00 74.10 C ATOM 1114 CG2 ILE A 73 -5.407 -11.736 4.337 1.00 12.33 C ATOM 1115 CD1 ILE A 73 -4.410 -14.615 3.991 1.00 33.40 C ATOM 0 H ILE A 73 -3.938 -12.714 0.755 1.00 15.34 H new ATOM 0 HA ILE A 73 -6.341 -11.670 1.709 1.00 61.10 H new ATOM 0 HB ILE A 73 -3.687 -12.121 3.137 1.00 24.44 H new ATOM 0 HG12 ILE A 73 -6.122 -13.928 2.920 1.00 74.10 H new ATOM 0 HG13 ILE A 73 -4.679 -14.098 1.939 1.00 74.10 H new ATOM 0 HG21 ILE A 73 -5.034 -12.296 5.195 1.00 12.33 H new ATOM 0 HG22 ILE A 73 -5.158 -10.681 4.456 1.00 12.33 H new ATOM 0 HG23 ILE A 73 -6.489 -11.849 4.273 1.00 12.33 H new ATOM 0 HD11 ILE A 73 -4.651 -15.664 3.818 1.00 33.40 H new ATOM 0 HD12 ILE A 73 -3.328 -14.483 3.969 1.00 33.40 H new ATOM 0 HD13 ILE A 73 -4.793 -14.310 4.965 1.00 33.40 H new ATOM 1127 N PHE A 74 -3.778 -9.583 1.843 1.00 22.14 N ATOM 1128 CA PHE A 74 -3.410 -8.183 1.991 1.00 11.41 C ATOM 1129 C PHE A 74 -4.096 -7.333 0.925 1.00 41.15 C ATOM 1130 O PHE A 74 -4.630 -6.261 1.222 1.00 45.23 O ATOM 1131 CB PHE A 74 -1.887 -8.028 1.902 1.00 63.24 C ATOM 1132 CG PHE A 74 -1.402 -6.610 2.037 1.00 3.20 C ATOM 1133 CD1 PHE A 74 -1.440 -5.964 3.262 1.00 43.14 C ATOM 1134 CD2 PHE A 74 -0.912 -5.924 0.937 1.00 43.31 C ATOM 1135 CE1 PHE A 74 -0.995 -4.663 3.389 1.00 45.12 C ATOM 1136 CE2 PHE A 74 -0.465 -4.621 1.059 1.00 34.44 C ATOM 1137 CZ PHE A 74 -0.507 -3.989 2.286 1.00 50.21 C ATOM 0 H PHE A 74 -3.004 -10.197 1.589 1.00 22.14 H new ATOM 0 HA PHE A 74 -3.742 -7.836 2.970 1.00 11.41 H new ATOM 0 HB2 PHE A 74 -1.425 -8.634 2.682 1.00 63.24 H new ATOM 0 HB3 PHE A 74 -1.548 -8.427 0.946 1.00 63.24 H new ATOM 0 HD1 PHE A 74 -1.822 -6.484 4.128 1.00 43.14 H new ATOM 0 HD2 PHE A 74 -0.879 -6.412 -0.026 1.00 43.31 H new ATOM 0 HE1 PHE A 74 -1.028 -4.172 4.351 1.00 45.12 H new ATOM 0 HE2 PHE A 74 -0.083 -4.098 0.195 1.00 34.44 H new ATOM 0 HZ PHE A 74 -0.159 -2.971 2.383 1.00 50.21 H new ATOM 1147 N GLU A 75 -4.095 -7.823 -0.309 1.00 64.04 N ATOM 1148 CA GLU A 75 -4.741 -7.128 -1.414 1.00 53.03 C ATOM 1149 C GLU A 75 -6.243 -6.999 -1.168 1.00 30.30 C ATOM 1150 O GLU A 75 -6.842 -5.966 -1.454 1.00 10.55 O ATOM 1151 CB GLU A 75 -4.478 -7.860 -2.734 1.00 35.20 C ATOM 1152 CG GLU A 75 -3.012 -7.877 -3.139 1.00 63.11 C ATOM 1153 CD GLU A 75 -2.777 -8.591 -4.456 1.00 72.05 C ATOM 1154 OE1 GLU A 75 -2.931 -7.951 -5.517 1.00 41.21 O ATOM 1155 OE2 GLU A 75 -2.424 -9.789 -4.439 1.00 42.31 O ATOM 0 H GLU A 75 -3.651 -8.704 -0.570 1.00 64.04 H new ATOM 0 HA GLU A 75 -4.317 -6.126 -1.481 1.00 53.03 H new ATOM 0 HB2 GLU A 75 -4.834 -8.886 -2.648 1.00 35.20 H new ATOM 0 HB3 GLU A 75 -5.059 -7.386 -3.525 1.00 35.20 H new ATOM 0 HG2 GLU A 75 -2.649 -6.852 -3.216 1.00 63.11 H new ATOM 0 HG3 GLU A 75 -2.429 -8.364 -2.357 1.00 63.11 H new ATOM 1162 N LEU A 76 -6.839 -8.045 -0.615 1.00 14.42 N ATOM 1163 CA LEU A 76 -8.255 -8.061 -0.314 1.00 22.15 C ATOM 1164 C LEU A 76 -8.626 -7.004 0.728 1.00 30.44 C ATOM 1165 O LEU A 76 -9.631 -6.303 0.583 1.00 25.21 O ATOM 1166 CB LEU A 76 -8.631 -9.457 0.175 1.00 63.32 C ATOM 1167 CG LEU A 76 -8.761 -10.518 -0.921 1.00 50.43 C ATOM 1168 CD1 LEU A 76 -9.052 -11.881 -0.312 1.00 23.31 C ATOM 1169 CD2 LEU A 76 -9.850 -10.134 -1.913 1.00 11.40 C ATOM 0 H LEU A 76 -6.351 -8.905 -0.364 1.00 14.42 H new ATOM 0 HA LEU A 76 -8.813 -7.818 -1.219 1.00 22.15 H new ATOM 0 HB2 LEU A 76 -7.880 -9.788 0.892 1.00 63.32 H new ATOM 0 HB3 LEU A 76 -9.578 -9.394 0.712 1.00 63.32 H new ATOM 0 HG LEU A 76 -7.813 -10.575 -1.457 1.00 50.43 H new ATOM 0 HD11 LEU A 76 -9.141 -12.623 -1.106 1.00 23.31 H new ATOM 0 HD12 LEU A 76 -8.239 -12.162 0.357 1.00 23.31 H new ATOM 0 HD13 LEU A 76 -9.985 -11.837 0.250 1.00 23.31 H new ATOM 0 HD21 LEU A 76 -9.927 -10.901 -2.684 1.00 11.40 H new ATOM 0 HD22 LEU A 76 -10.803 -10.047 -1.391 1.00 11.40 H new ATOM 0 HD23 LEU A 76 -9.601 -9.179 -2.375 1.00 11.40 H new ATOM 1181 N LYS A 77 -7.810 -6.885 1.770 1.00 54.41 N ATOM 1182 CA LYS A 77 -8.077 -5.923 2.832 1.00 74.32 C ATOM 1183 C LYS A 77 -7.809 -4.492 2.377 1.00 54.20 C ATOM 1184 O LYS A 77 -8.533 -3.572 2.756 1.00 13.43 O ATOM 1185 CB LYS A 77 -7.254 -6.242 4.085 1.00 53.54 C ATOM 1186 CG LYS A 77 -7.846 -7.356 4.929 1.00 11.52 C ATOM 1187 CD LYS A 77 -7.118 -7.514 6.254 1.00 43.41 C ATOM 1188 CE LYS A 77 -7.793 -8.554 7.133 1.00 42.11 C ATOM 1189 NZ LYS A 77 -7.716 -9.919 6.545 1.00 54.12 N ATOM 0 H LYS A 77 -6.964 -7.439 1.901 1.00 54.41 H new ATOM 0 HA LYS A 77 -9.135 -6.006 3.079 1.00 74.32 H new ATOM 0 HB2 LYS A 77 -6.244 -6.521 3.786 1.00 53.54 H new ATOM 0 HB3 LYS A 77 -7.169 -5.342 4.693 1.00 53.54 H new ATOM 0 HG2 LYS A 77 -8.899 -7.148 5.117 1.00 11.52 H new ATOM 0 HG3 LYS A 77 -7.800 -8.294 4.376 1.00 11.52 H new ATOM 0 HD2 LYS A 77 -6.084 -7.805 6.071 1.00 43.41 H new ATOM 0 HD3 LYS A 77 -7.092 -6.556 6.774 1.00 43.41 H new ATOM 0 HE2 LYS A 77 -7.323 -8.556 8.117 1.00 42.11 H new ATOM 0 HE3 LYS A 77 -8.838 -8.281 7.279 1.00 42.11 H new ATOM 0 HZ1 LYS A 77 -8.097 -10.611 7.222 1.00 54.12 H new ATOM 0 HZ2 LYS A 77 -8.273 -9.951 5.667 1.00 54.12 H new ATOM 0 HZ3 LYS A 77 -6.724 -10.151 6.335 1.00 54.12 H new ATOM 1203 N THR A 78 -6.777 -4.307 1.562 1.00 50.02 N ATOM 1204 CA THR A 78 -6.423 -2.979 1.083 1.00 14.33 C ATOM 1205 C THR A 78 -7.460 -2.454 0.093 1.00 31.24 C ATOM 1206 O THR A 78 -7.754 -1.264 0.079 1.00 21.44 O ATOM 1207 CB THR A 78 -5.025 -2.955 0.436 1.00 10.02 C ATOM 1208 OG1 THR A 78 -4.853 -4.097 -0.411 1.00 41.43 O ATOM 1209 CG2 THR A 78 -3.936 -2.932 1.499 1.00 60.10 C ATOM 0 H THR A 78 -6.174 -5.056 1.221 1.00 50.02 H new ATOM 0 HA THR A 78 -6.405 -2.326 1.956 1.00 14.33 H new ATOM 0 HB THR A 78 -4.943 -2.048 -0.163 1.00 10.02 H new ATOM 0 HG1 THR A 78 -4.624 -4.878 0.135 1.00 41.43 H new ATOM 0 HG21 THR A 78 -2.958 -2.915 1.018 1.00 60.10 H new ATOM 0 HG22 THR A 78 -4.051 -2.042 2.118 1.00 60.10 H new ATOM 0 HG23 THR A 78 -4.018 -3.822 2.123 1.00 60.10 H new ATOM 1217 N ARG A 79 -8.027 -3.345 -0.716 1.00 31.15 N ATOM 1218 CA ARG A 79 -9.061 -2.968 -1.663 1.00 21.11 C ATOM 1219 C ARG A 79 -10.233 -2.291 -0.965 1.00 44.24 C ATOM 1220 O ARG A 79 -10.735 -1.265 -1.422 1.00 10.04 O ATOM 1221 CB ARG A 79 -9.549 -4.204 -2.414 1.00 61.34 C ATOM 1222 CG ARG A 79 -8.608 -4.661 -3.512 1.00 25.23 C ATOM 1223 CD ARG A 79 -9.163 -5.855 -4.275 1.00 22.54 C ATOM 1224 NE ARG A 79 -8.307 -6.223 -5.401 1.00 55.42 N ATOM 1225 CZ ARG A 79 -8.656 -7.067 -6.368 1.00 21.40 C ATOM 1226 NH1 ARG A 79 -9.839 -7.665 -6.352 1.00 34.13 N ATOM 1227 NH2 ARG A 79 -7.808 -7.315 -7.355 1.00 21.11 N ATOM 0 H ARG A 79 -7.784 -4.335 -0.731 1.00 31.15 H new ATOM 0 HA ARG A 79 -8.631 -2.256 -2.368 1.00 21.11 H new ATOM 0 HB2 ARG A 79 -9.687 -5.019 -1.704 1.00 61.34 H new ATOM 0 HB3 ARG A 79 -10.525 -3.992 -2.849 1.00 61.34 H new ATOM 0 HG2 ARG A 79 -8.431 -3.838 -4.204 1.00 25.23 H new ATOM 0 HG3 ARG A 79 -7.644 -4.924 -3.077 1.00 25.23 H new ATOM 0 HD2 ARG A 79 -9.261 -6.705 -3.599 1.00 22.54 H new ATOM 0 HD3 ARG A 79 -10.163 -5.621 -4.640 1.00 22.54 H new ATOM 0 HE ARG A 79 -7.378 -5.804 -5.449 1.00 55.42 H new ATOM 0 HH11 ARG A 79 -10.494 -7.480 -5.592 1.00 34.13 H new ATOM 0 HH12 ARG A 79 -10.094 -8.310 -7.100 1.00 34.13 H new ATOM 0 HH21 ARG A 79 -6.895 -6.860 -7.370 1.00 21.11 H new ATOM 0 HH22 ARG A 79 -8.068 -7.961 -8.100 1.00 21.11 H new ATOM 1241 N SER A 80 -10.653 -2.863 0.152 1.00 60.22 N ATOM 1242 CA SER A 80 -11.804 -2.370 0.875 1.00 4.42 C ATOM 1243 C SER A 80 -11.464 -1.165 1.751 1.00 54.12 C ATOM 1244 O SER A 80 -12.346 -0.399 2.137 1.00 51.01 O ATOM 1245 CB SER A 80 -12.369 -3.503 1.725 1.00 12.21 C ATOM 1246 OG SER A 80 -12.656 -4.645 0.928 1.00 3.15 O ATOM 0 H SER A 80 -10.207 -3.676 0.577 1.00 60.22 H new ATOM 0 HA SER A 80 -12.547 -2.032 0.152 1.00 4.42 H new ATOM 0 HB2 SER A 80 -11.654 -3.769 2.504 1.00 12.21 H new ATOM 0 HB3 SER A 80 -13.277 -3.168 2.227 1.00 12.21 H new ATOM 0 HG SER A 80 -13.015 -5.358 1.496 1.00 3.15 H new ATOM 1252 N LEU A 81 -10.186 -0.990 2.046 1.00 73.05 N ATOM 1253 CA LEU A 81 -9.743 0.074 2.922 1.00 65.01 C ATOM 1254 C LEU A 81 -9.307 1.300 2.126 1.00 33.31 C ATOM 1255 O LEU A 81 -9.581 2.437 2.511 1.00 11.51 O ATOM 1256 CB LEU A 81 -8.587 -0.440 3.782 1.00 40.14 C ATOM 1257 CG LEU A 81 -7.670 0.639 4.341 1.00 15.21 C ATOM 1258 CD1 LEU A 81 -8.387 1.477 5.391 1.00 42.50 C ATOM 1259 CD2 LEU A 81 -6.405 0.025 4.917 1.00 60.14 C ATOM 0 H LEU A 81 -9.434 -1.578 1.686 1.00 73.05 H new ATOM 0 HA LEU A 81 -10.574 0.376 3.560 1.00 65.01 H new ATOM 0 HB2 LEU A 81 -8.999 -1.012 4.614 1.00 40.14 H new ATOM 0 HB3 LEU A 81 -7.990 -1.130 3.186 1.00 40.14 H new ATOM 0 HG LEU A 81 -7.388 1.298 3.520 1.00 15.21 H new ATOM 0 HD11 LEU A 81 -7.709 2.240 5.773 1.00 42.50 H new ATOM 0 HD12 LEU A 81 -9.257 1.957 4.942 1.00 42.50 H new ATOM 0 HD13 LEU A 81 -8.710 0.835 6.211 1.00 42.50 H new ATOM 0 HD21 LEU A 81 -5.764 0.814 5.311 1.00 60.14 H new ATOM 0 HD22 LEU A 81 -6.668 -0.664 5.720 1.00 60.14 H new ATOM 0 HD23 LEU A 81 -5.874 -0.516 4.134 1.00 60.14 H new