USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 817 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 56 SER OG : rot -157:sc= 0.606 USER MOD Set 1.2: A 89 MET CE :methyl 143:sc= -4.63 (180deg=-9.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.233 (180deg=-1.22!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.33 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -141:sc= 1.01 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00803 X(o=-0.008,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 76:sc= 0.993 USER MOD Single : A 65 THR OG1 : rot -29:sc= 0.166 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 43:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -127:sc= -7.39! (180deg=-11.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.608 -4.047 28.277 1.00 0.00 N ATOM 2 CA MET A 1 3.188 -3.998 28.580 1.00 0.00 C ATOM 3 C MET A 1 2.488 -2.918 27.753 1.00 0.00 C ATOM 4 O MET A 1 2.751 -1.730 27.927 1.00 0.00 O ATOM 5 CB MET A 1 2.994 -3.707 30.069 1.00 0.00 C ATOM 6 CG MET A 1 3.626 -2.368 30.453 1.00 0.00 C ATOM 7 SD MET A 1 4.424 -2.504 32.045 1.00 0.00 S ATOM 8 CE MET A 1 5.715 -1.287 31.849 1.00 0.00 C ATOM 0 H1 MET A 1 5.135 -4.330 29.128 1.00 0.00 H new ATOM 0 H2 MET A 1 4.778 -4.739 27.519 1.00 0.00 H new ATOM 0 H3 MET A 1 4.929 -3.108 27.967 1.00 0.00 H new ATOM 0 HA MET A 1 2.748 -4.963 28.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.930 -3.692 30.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.440 -4.507 30.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.352 -2.069 29.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.862 -1.592 30.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.313 -1.242 32.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.352 -1.564 31.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.269 -0.311 31.659 1.00 0.00 H new ATOM 18 N ASP A 2 1.610 -3.371 26.870 1.00 0.00 N ATOM 19 CA ASP A 2 0.870 -2.458 26.015 1.00 0.00 C ATOM 20 C ASP A 2 0.021 -1.528 26.884 1.00 0.00 C ATOM 21 O ASP A 2 -0.231 -1.821 28.051 1.00 0.00 O ATOM 22 CB ASP A 2 -0.071 -3.220 25.080 1.00 0.00 C ATOM 23 CG ASP A 2 0.595 -3.818 23.839 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.283 -4.847 23.916 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.381 -3.174 22.742 1.00 0.00 O ATOM 0 H ASP A 2 1.394 -4.358 26.728 1.00 0.00 H new ATOM 0 HA ASP A 2 1.589 -1.894 25.422 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.545 -4.024 25.643 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.864 -2.545 24.759 1.00 0.00 H new ATOM 30 N LEU A 3 -0.395 -0.424 26.280 1.00 0.00 N ATOM 31 CA LEU A 3 -1.210 0.551 26.984 1.00 0.00 C ATOM 32 C LEU A 3 -2.674 0.377 26.575 1.00 0.00 C ATOM 33 O LEU A 3 -3.477 -0.155 27.341 1.00 0.00 O ATOM 34 CB LEU A 3 -0.672 1.965 26.754 1.00 0.00 C ATOM 35 CG LEU A 3 -0.023 2.640 27.964 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.021 3.668 27.523 1.00 0.00 C ATOM 37 CD2 LEU A 3 -1.081 3.256 28.882 1.00 0.00 C ATOM 0 H LEU A 3 -0.183 -0.184 25.312 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.157 0.385 28.060 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.060 1.927 25.948 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.493 2.593 26.409 1.00 0.00 H new ATOM 0 HG LEU A 3 0.499 1.877 28.541 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.467 4.133 28.402 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.798 3.171 26.942 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.543 4.433 26.911 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.593 3.729 29.734 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.651 4.003 28.330 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.754 2.475 29.237 1.00 0.00 H new ATOM 49 N ILE A 4 -2.977 0.835 25.370 1.00 0.00 N ATOM 50 CA ILE A 4 -4.331 0.736 24.850 1.00 0.00 C ATOM 51 C ILE A 4 -4.908 -0.637 25.200 1.00 0.00 C ATOM 52 O ILE A 4 -5.524 -0.806 26.251 1.00 0.00 O ATOM 53 CB ILE A 4 -4.354 1.050 23.353 1.00 0.00 C ATOM 54 CG1 ILE A 4 -5.636 0.525 22.702 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.099 0.514 22.661 1.00 0.00 C ATOM 56 CD1 ILE A 4 -6.090 1.445 21.567 1.00 0.00 C ATOM 0 H ILE A 4 -2.309 1.276 24.738 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.975 1.481 25.318 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.351 2.133 23.231 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.467 -0.480 22.315 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.424 0.449 23.451 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.141 0.751 21.598 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.215 0.976 23.101 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.046 -0.567 22.790 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.003 1.050 21.121 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.282 2.443 21.962 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.309 1.499 20.808 1.00 0.00 H new ATOM 68 N GLY A 5 -4.688 -1.583 24.298 1.00 0.00 N ATOM 69 CA GLY A 5 -5.178 -2.936 24.498 1.00 0.00 C ATOM 70 C GLY A 5 -6.684 -3.017 24.239 1.00 0.00 C ATOM 71 O GLY A 5 -7.131 -3.793 23.396 1.00 0.00 O ATOM 0 H GLY A 5 -4.177 -1.439 23.427 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.653 -3.619 23.830 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.963 -3.258 25.517 1.00 0.00 H new ATOM 75 N PHE A 6 -7.424 -2.206 24.981 1.00 0.00 N ATOM 76 CA PHE A 6 -8.870 -2.176 24.842 1.00 0.00 C ATOM 77 C PHE A 6 -9.276 -1.833 23.408 1.00 0.00 C ATOM 78 O PHE A 6 -9.926 -2.632 22.735 1.00 0.00 O ATOM 79 CB PHE A 6 -9.387 -1.084 25.781 1.00 0.00 C ATOM 80 CG PHE A 6 -10.840 -1.278 26.220 1.00 0.00 C ATOM 81 CD1 PHE A 6 -11.168 -2.299 27.055 1.00 0.00 C ATOM 82 CD2 PHE A 6 -11.803 -0.428 25.774 1.00 0.00 C ATOM 83 CE1 PHE A 6 -12.516 -2.479 27.463 1.00 0.00 C ATOM 84 CE2 PHE A 6 -13.152 -0.607 26.182 1.00 0.00 C ATOM 85 CZ PHE A 6 -13.480 -1.629 27.017 1.00 0.00 C ATOM 0 H PHE A 6 -7.049 -1.565 25.680 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.287 -3.153 25.085 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.752 -1.050 26.666 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.294 -0.118 25.285 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.403 -2.974 27.408 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -11.543 0.383 25.110 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -12.776 -3.290 28.127 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.917 0.069 25.829 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.506 -1.766 27.326 1.00 0.00 H new ATOM 95 N GLY A 7 -8.876 -0.644 22.981 1.00 0.00 N ATOM 96 CA GLY A 7 -9.191 -0.185 21.639 1.00 0.00 C ATOM 97 C GLY A 7 -8.763 -1.217 20.593 1.00 0.00 C ATOM 98 O GLY A 7 -9.480 -1.455 19.622 1.00 0.00 O ATOM 0 H GLY A 7 -8.336 0.016 23.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.262 -0.000 21.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.688 0.763 21.447 1.00 0.00 H new ATOM 102 N TYR A 8 -7.597 -1.801 20.827 1.00 0.00 N ATOM 103 CA TYR A 8 -7.066 -2.801 19.917 1.00 0.00 C ATOM 104 C TYR A 8 -8.012 -3.999 19.805 1.00 0.00 C ATOM 105 O TYR A 8 -8.415 -4.375 18.706 1.00 0.00 O ATOM 106 CB TYR A 8 -5.743 -3.267 20.528 1.00 0.00 C ATOM 107 CG TYR A 8 -4.855 -4.056 19.563 1.00 0.00 C ATOM 108 CD1 TYR A 8 -4.017 -3.388 18.694 1.00 0.00 C ATOM 109 CD2 TYR A 8 -4.893 -5.436 19.563 1.00 0.00 C ATOM 110 CE1 TYR A 8 -3.181 -4.131 17.786 1.00 0.00 C ATOM 111 CE2 TYR A 8 -4.057 -6.178 18.655 1.00 0.00 C ATOM 112 CZ TYR A 8 -3.243 -5.489 17.811 1.00 0.00 C ATOM 113 OH TYR A 8 -2.454 -6.191 16.954 1.00 0.00 O ATOM 0 H TYR A 8 -7.005 -1.601 21.633 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.941 -2.383 18.918 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.192 -2.396 20.883 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.955 -3.887 21.399 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.988 -2.308 18.694 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.549 -5.959 20.243 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.520 -3.621 17.101 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.076 -7.258 18.645 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.603 -7.151 17.084 1.00 0.00 H new ATOM 123 N ALA A 9 -8.338 -4.564 20.958 1.00 0.00 N ATOM 124 CA ALA A 9 -9.229 -5.711 21.003 1.00 0.00 C ATOM 125 C ALA A 9 -10.621 -5.289 20.527 1.00 0.00 C ATOM 126 O ALA A 9 -11.419 -6.128 20.113 1.00 0.00 O ATOM 127 CB ALA A 9 -9.248 -6.287 22.421 1.00 0.00 C ATOM 0 H ALA A 9 -8.001 -4.249 21.868 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.876 -6.497 20.336 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.916 -7.147 22.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.241 -6.598 22.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.600 -5.526 23.118 1.00 0.00 H new ATOM 133 N ALA A 10 -10.869 -3.990 20.603 1.00 0.00 N ATOM 134 CA ALA A 10 -12.150 -3.447 20.185 1.00 0.00 C ATOM 135 C ALA A 10 -12.312 -3.640 18.676 1.00 0.00 C ATOM 136 O ALA A 10 -13.186 -4.383 18.232 1.00 0.00 O ATOM 137 CB ALA A 10 -12.241 -1.977 20.598 1.00 0.00 C ATOM 0 H ALA A 10 -10.204 -3.297 20.948 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.969 -3.974 20.675 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.202 -1.570 20.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.149 -1.897 21.681 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.437 -1.415 20.123 1.00 0.00 H new ATOM 143 N LEU A 11 -11.458 -2.956 17.929 1.00 0.00 N ATOM 144 CA LEU A 11 -11.496 -3.043 16.479 1.00 0.00 C ATOM 145 C LEU A 11 -11.351 -4.506 16.055 1.00 0.00 C ATOM 146 O LEU A 11 -12.006 -4.952 15.114 1.00 0.00 O ATOM 147 CB LEU A 11 -10.447 -2.117 15.859 1.00 0.00 C ATOM 148 CG LEU A 11 -8.986 -2.517 16.078 1.00 0.00 C ATOM 149 CD1 LEU A 11 -8.518 -3.495 14.999 1.00 0.00 C ATOM 150 CD2 LEU A 11 -8.087 -1.282 16.161 1.00 0.00 C ATOM 0 H LEU A 11 -10.736 -2.339 18.301 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.458 -2.696 16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.630 -2.060 14.786 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.593 -1.115 16.261 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.913 -3.034 17.035 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.477 -3.763 15.178 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.135 -4.393 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.609 -3.026 14.019 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.054 -1.594 16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.159 -0.716 15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.406 -0.655 16.993 1.00 0.00 H new ATOM 162 N VAL A 12 -10.489 -5.214 16.771 1.00 0.00 N ATOM 163 CA VAL A 12 -10.250 -6.617 16.482 1.00 0.00 C ATOM 164 C VAL A 12 -11.581 -7.371 16.501 1.00 0.00 C ATOM 165 O VAL A 12 -11.899 -8.101 15.563 1.00 0.00 O ATOM 166 CB VAL A 12 -9.226 -7.187 17.465 1.00 0.00 C ATOM 167 CG1 VAL A 12 -9.114 -8.707 17.321 1.00 0.00 C ATOM 168 CG2 VAL A 12 -7.862 -6.518 17.285 1.00 0.00 C ATOM 0 H VAL A 12 -9.948 -4.841 17.551 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.824 -6.734 15.486 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.575 -6.971 18.475 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.379 -9.087 18.031 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.083 -9.164 17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.800 -8.954 16.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.152 -6.941 17.996 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.504 -6.689 16.270 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.956 -5.446 17.461 1.00 0.00 H new ATOM 178 N THR A 13 -12.324 -7.169 17.579 1.00 0.00 N ATOM 179 CA THR A 13 -13.614 -7.820 17.733 1.00 0.00 C ATOM 180 C THR A 13 -14.569 -7.381 16.621 1.00 0.00 C ATOM 181 O THR A 13 -15.359 -8.182 16.125 1.00 0.00 O ATOM 182 CB THR A 13 -14.134 -7.512 19.138 1.00 0.00 C ATOM 183 OG1 THR A 13 -13.359 -8.353 19.988 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.572 -7.994 19.349 1.00 0.00 C ATOM 0 H THR A 13 -12.057 -6.563 18.355 1.00 0.00 H new ATOM 0 HA THR A 13 -13.526 -8.902 17.634 1.00 0.00 H new ATOM 0 HB THR A 13 -14.080 -6.438 19.317 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.549 -7.878 20.268 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.892 -7.751 20.362 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.230 -7.502 18.632 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.619 -9.073 19.203 1.00 0.00 H new ATOM 192 N PHE A 14 -14.465 -6.110 16.263 1.00 0.00 N ATOM 193 CA PHE A 14 -15.310 -5.555 15.220 1.00 0.00 C ATOM 194 C PHE A 14 -15.075 -6.269 13.887 1.00 0.00 C ATOM 195 O PHE A 14 -16.015 -6.776 13.277 1.00 0.00 O ATOM 196 CB PHE A 14 -14.925 -4.081 15.070 1.00 0.00 C ATOM 197 CG PHE A 14 -16.064 -3.189 14.572 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.223 -3.108 15.278 1.00 0.00 C ATOM 199 CD2 PHE A 14 -15.917 -2.477 13.423 1.00 0.00 C ATOM 200 CE1 PHE A 14 -18.280 -2.280 14.816 1.00 0.00 C ATOM 201 CE2 PHE A 14 -16.974 -1.648 12.960 1.00 0.00 C ATOM 202 CZ PHE A 14 -18.133 -1.568 13.667 1.00 0.00 C ATOM 0 H PHE A 14 -13.808 -5.448 16.677 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.360 -5.677 15.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -14.578 -3.707 16.033 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.087 -4.003 14.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.340 -3.674 16.191 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.996 -2.542 12.862 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -19.201 -2.216 15.377 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.857 -1.082 12.048 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.937 -0.939 13.316 1.00 0.00 H new ATOM 212 N GLY A 15 -13.816 -6.285 13.474 1.00 0.00 N ATOM 213 CA GLY A 15 -13.447 -6.929 12.225 1.00 0.00 C ATOM 214 C GLY A 15 -13.672 -8.440 12.299 1.00 0.00 C ATOM 215 O GLY A 15 -13.880 -9.091 11.276 1.00 0.00 O ATOM 0 H GLY A 15 -13.039 -5.862 13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.035 -6.510 11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.400 -6.724 12.002 1.00 0.00 H new ATOM 219 N SER A 16 -13.624 -8.954 13.519 1.00 0.00 N ATOM 220 CA SER A 16 -13.820 -10.377 13.740 1.00 0.00 C ATOM 221 C SER A 16 -15.267 -10.761 13.424 1.00 0.00 C ATOM 222 O SER A 16 -15.515 -11.752 12.740 1.00 0.00 O ATOM 223 CB SER A 16 -13.470 -10.765 15.178 1.00 0.00 C ATOM 224 OG SER A 16 -12.364 -11.661 15.235 1.00 0.00 O ATOM 0 H SER A 16 -13.452 -8.411 14.365 1.00 0.00 H new ATOM 0 HA SER A 16 -13.152 -10.922 13.073 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.238 -9.866 15.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.337 -11.228 15.650 1.00 0.00 H new ATOM 0 HG SER A 16 -12.171 -11.883 16.170 1.00 0.00 H new ATOM 230 N ILE A 17 -16.185 -9.955 13.938 1.00 0.00 N ATOM 231 CA ILE A 17 -17.601 -10.198 13.719 1.00 0.00 C ATOM 232 C ILE A 17 -17.940 -9.925 12.252 1.00 0.00 C ATOM 233 O ILE A 17 -18.356 -10.830 11.530 1.00 0.00 O ATOM 234 CB ILE A 17 -18.442 -9.385 14.706 1.00 0.00 C ATOM 235 CG1 ILE A 17 -18.182 -9.832 16.146 1.00 0.00 C ATOM 236 CG2 ILE A 17 -19.928 -9.453 14.345 1.00 0.00 C ATOM 237 CD1 ILE A 17 -18.733 -8.812 17.144 1.00 0.00 C ATOM 0 H ILE A 17 -15.976 -9.133 14.505 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.843 -11.243 13.913 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.139 -8.340 14.633 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.646 -10.803 16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -17.111 -9.959 16.304 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.504 -8.867 15.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.078 -9.050 13.343 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.262 -10.490 14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -18.535 -9.154 18.160 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.249 -7.849 16.984 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -19.808 -8.706 17.000 1.00 0.00 H new ATOM 249 N PHE A 18 -17.750 -8.676 11.856 1.00 0.00 N ATOM 250 CA PHE A 18 -18.030 -8.273 10.489 1.00 0.00 C ATOM 251 C PHE A 18 -17.505 -9.309 9.493 1.00 0.00 C ATOM 252 O PHE A 18 -18.234 -9.748 8.605 1.00 0.00 O ATOM 253 CB PHE A 18 -17.306 -6.946 10.255 1.00 0.00 C ATOM 254 CG PHE A 18 -18.241 -5.750 10.067 1.00 0.00 C ATOM 255 CD1 PHE A 18 -19.048 -5.351 11.087 1.00 0.00 C ATOM 256 CD2 PHE A 18 -18.267 -5.087 8.880 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.917 -4.242 10.912 1.00 0.00 C ATOM 258 CE2 PHE A 18 -19.135 -3.977 8.706 1.00 0.00 C ATOM 259 CZ PHE A 18 -19.942 -3.578 9.725 1.00 0.00 C ATOM 0 H PHE A 18 -17.405 -7.929 12.459 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.106 -8.180 10.343 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.647 -6.749 11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.672 -7.041 9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.028 -5.878 12.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -17.627 -5.405 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.558 -3.926 11.721 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -19.154 -3.449 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.603 -2.734 9.592 1.00 0.00 H new ATOM 269 N GLY A 19 -16.244 -9.671 9.675 1.00 0.00 N ATOM 270 CA GLY A 19 -15.612 -10.648 8.804 1.00 0.00 C ATOM 271 C GLY A 19 -14.558 -9.988 7.913 1.00 0.00 C ATOM 272 O GLY A 19 -13.434 -10.477 7.808 1.00 0.00 O ATOM 0 H GLY A 19 -15.642 -9.305 10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.147 -11.430 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.368 -11.130 8.184 1.00 0.00 H new ATOM 276 N TYR A 20 -14.958 -8.886 7.295 1.00 0.00 N ATOM 277 CA TYR A 20 -14.062 -8.154 6.416 1.00 0.00 C ATOM 278 C TYR A 20 -13.537 -9.053 5.295 1.00 0.00 C ATOM 279 O TYR A 20 -12.350 -9.023 4.975 1.00 0.00 O ATOM 280 CB TYR A 20 -12.886 -7.709 7.289 1.00 0.00 C ATOM 281 CG TYR A 20 -12.484 -6.246 7.092 1.00 0.00 C ATOM 282 CD1 TYR A 20 -13.220 -5.242 7.689 1.00 0.00 C ATOM 283 CD2 TYR A 20 -11.386 -5.930 6.319 1.00 0.00 C ATOM 284 CE1 TYR A 20 -12.842 -3.865 7.504 1.00 0.00 C ATOM 285 CE2 TYR A 20 -11.008 -4.553 6.134 1.00 0.00 C ATOM 286 CZ TYR A 20 -11.754 -3.588 6.736 1.00 0.00 C ATOM 287 OH TYR A 20 -11.397 -2.288 6.561 1.00 0.00 O ATOM 0 H TYR A 20 -15.890 -8.483 7.386 1.00 0.00 H new ATOM 0 HA TYR A 20 -14.581 -7.315 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -13.144 -7.866 8.336 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -12.026 -8.344 7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -14.079 -5.489 8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.810 -6.715 5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.410 -3.070 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.151 -4.292 5.531 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.601 -2.241 5.991 1.00 0.00 H new ATOM 297 N LYS A 21 -14.448 -9.831 4.729 1.00 0.00 N ATOM 298 CA LYS A 21 -14.092 -10.737 3.650 1.00 0.00 C ATOM 299 C LYS A 21 -13.235 -9.991 2.626 1.00 0.00 C ATOM 300 O LYS A 21 -12.031 -10.225 2.531 1.00 0.00 O ATOM 301 CB LYS A 21 -15.347 -11.377 3.052 1.00 0.00 C ATOM 302 CG LYS A 21 -15.083 -12.829 2.649 1.00 0.00 C ATOM 303 CD LYS A 21 -16.065 -13.777 3.340 1.00 0.00 C ATOM 304 CE LYS A 21 -15.727 -15.237 3.031 1.00 0.00 C ATOM 305 NZ LYS A 21 -16.957 -16.061 3.012 1.00 0.00 N ATOM 0 H LYS A 21 -15.432 -9.853 4.997 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.490 -11.563 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.160 -11.339 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.670 -10.807 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.172 -12.932 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.061 -13.103 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.037 -13.614 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.081 -13.558 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.223 -15.304 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.035 -15.623 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.710 -17.049 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.422 -16.011 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.604 -15.702 2.281 1.00 0.00 H new ATOM 319 N ARG A 22 -13.889 -9.109 1.884 1.00 0.00 N ATOM 320 CA ARG A 22 -13.201 -8.328 0.870 1.00 0.00 C ATOM 321 C ARG A 22 -12.569 -9.251 -0.173 1.00 0.00 C ATOM 322 O ARG A 22 -11.476 -8.979 -0.668 1.00 0.00 O ATOM 323 CB ARG A 22 -12.111 -7.453 1.494 1.00 0.00 C ATOM 324 CG ARG A 22 -12.667 -6.084 1.891 1.00 0.00 C ATOM 325 CD ARG A 22 -11.837 -4.956 1.275 1.00 0.00 C ATOM 326 NE ARG A 22 -11.778 -3.806 2.204 1.00 0.00 N ATOM 327 CZ ARG A 22 -10.911 -2.790 2.089 1.00 0.00 C ATOM 328 NH1 ARG A 22 -10.024 -2.777 1.085 1.00 0.00 N ATOM 329 NH2 ARG A 22 -10.930 -1.789 2.979 1.00 0.00 N ATOM 0 H ARG A 22 -14.888 -8.918 1.965 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.938 -7.684 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.699 -7.950 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.292 -7.325 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.703 -5.999 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.668 -5.989 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.830 -5.311 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.276 -4.646 0.327 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.439 -3.785 2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.008 -3.540 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.364 -2.004 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.604 -1.800 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.270 -1.016 2.891 1.00 0.00 H new ATOM 343 N ARG A 23 -13.284 -10.324 -0.478 1.00 0.00 N ATOM 344 CA ARG A 23 -12.807 -11.289 -1.454 1.00 0.00 C ATOM 345 C ARG A 23 -12.719 -10.644 -2.838 1.00 0.00 C ATOM 346 O ARG A 23 -12.506 -9.438 -2.953 1.00 0.00 O ATOM 347 CB ARG A 23 -13.733 -12.505 -1.524 1.00 0.00 C ATOM 348 CG ARG A 23 -12.928 -13.800 -1.649 1.00 0.00 C ATOM 349 CD ARG A 23 -13.651 -14.811 -2.542 1.00 0.00 C ATOM 350 NE ARG A 23 -14.829 -15.360 -1.835 1.00 0.00 N ATOM 351 CZ ARG A 23 -15.394 -16.541 -2.122 1.00 0.00 C ATOM 352 NH1 ARG A 23 -14.893 -17.302 -3.104 1.00 0.00 N ATOM 353 NH2 ARG A 23 -16.461 -16.959 -1.427 1.00 0.00 N ATOM 0 H ARG A 23 -14.190 -10.546 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.817 -11.618 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.356 -12.544 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.405 -12.406 -2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.944 -13.582 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.769 -14.231 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.964 -14.331 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.972 -15.618 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.237 -14.805 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.082 -16.983 -3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.323 -18.201 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.843 -16.378 -0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.891 -17.858 -1.645 1.00 0.00 H new ATOM 367 N GLY A 24 -12.886 -11.476 -3.856 1.00 0.00 N ATOM 368 CA GLY A 24 -12.828 -11.002 -5.228 1.00 0.00 C ATOM 369 C GLY A 24 -11.408 -10.570 -5.599 1.00 0.00 C ATOM 370 O GLY A 24 -10.588 -10.302 -4.722 1.00 0.00 O ATOM 0 H GLY A 24 -13.062 -12.476 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.160 -11.790 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.512 -10.163 -5.356 1.00 0.00 H new ATOM 374 N GLY A 25 -11.161 -10.515 -6.899 1.00 0.00 N ATOM 375 CA GLY A 25 -9.854 -10.120 -7.397 1.00 0.00 C ATOM 376 C GLY A 25 -9.036 -11.342 -7.821 1.00 0.00 C ATOM 377 O GLY A 25 -8.170 -11.802 -7.079 1.00 0.00 O ATOM 0 H GLY A 25 -11.844 -10.737 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.973 -9.445 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.318 -9.569 -6.624 1.00 0.00 H new ATOM 381 N VAL A 26 -9.340 -11.832 -9.014 1.00 0.00 N ATOM 382 CA VAL A 26 -8.644 -12.992 -9.546 1.00 0.00 C ATOM 383 C VAL A 26 -7.233 -12.582 -9.973 1.00 0.00 C ATOM 384 O VAL A 26 -6.254 -13.211 -9.576 1.00 0.00 O ATOM 385 CB VAL A 26 -9.457 -13.613 -10.684 1.00 0.00 C ATOM 386 CG1 VAL A 26 -8.556 -13.977 -11.865 1.00 0.00 C ATOM 387 CG2 VAL A 26 -10.240 -14.833 -10.195 1.00 0.00 C ATOM 0 H VAL A 26 -10.059 -11.447 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.542 -13.761 -8.781 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.176 -12.869 -11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.158 -14.416 -12.660 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.063 -13.079 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.803 -14.696 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.809 -15.256 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.546 -15.581 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.923 -14.532 -9.401 1.00 0.00 H new ATOM 397 N PRO A 27 -7.173 -11.503 -10.798 1.00 0.00 N ATOM 398 CA PRO A 27 -5.898 -11.002 -11.283 1.00 0.00 C ATOM 399 C PRO A 27 -5.151 -10.246 -10.183 1.00 0.00 C ATOM 400 O PRO A 27 -5.701 -10.000 -9.111 1.00 0.00 O ATOM 401 CB PRO A 27 -6.248 -10.125 -12.474 1.00 0.00 C ATOM 402 CG PRO A 27 -7.724 -9.794 -12.329 1.00 0.00 C ATOM 403 CD PRO A 27 -8.313 -10.733 -11.289 1.00 0.00 C ATOM 0 HA PRO A 27 -5.217 -11.800 -11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.643 -9.218 -12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.055 -10.645 -13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.854 -8.756 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.237 -9.912 -13.283 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.794 -10.179 -10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.071 -11.383 -11.726 1.00 0.00 H new ATOM 411 N SER A 28 -3.909 -9.899 -10.486 1.00 0.00 N ATOM 412 CA SER A 28 -3.081 -9.176 -9.536 1.00 0.00 C ATOM 413 C SER A 28 -2.922 -7.721 -9.981 1.00 0.00 C ATOM 414 O SER A 28 -2.745 -6.831 -9.151 1.00 0.00 O ATOM 415 CB SER A 28 -1.709 -9.838 -9.386 1.00 0.00 C ATOM 416 OG SER A 28 -1.473 -10.281 -8.052 1.00 0.00 O ATOM 0 H SER A 28 -3.456 -10.105 -11.376 1.00 0.00 H new ATOM 0 HA SER A 28 -3.575 -9.200 -8.565 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.639 -10.686 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.932 -9.131 -9.676 1.00 0.00 H new ATOM 0 HG SER A 28 -0.538 -10.112 -7.812 1.00 0.00 H new ATOM 422 N LEU A 29 -2.992 -7.525 -11.289 1.00 0.00 N ATOM 423 CA LEU A 29 -2.859 -6.193 -11.855 1.00 0.00 C ATOM 424 C LEU A 29 -3.844 -5.249 -11.162 1.00 0.00 C ATOM 425 O LEU A 29 -3.484 -4.130 -10.797 1.00 0.00 O ATOM 426 CB LEU A 29 -3.017 -6.238 -13.376 1.00 0.00 C ATOM 427 CG LEU A 29 -4.176 -7.086 -13.905 1.00 0.00 C ATOM 428 CD1 LEU A 29 -5.009 -6.302 -14.922 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.670 -8.411 -14.478 1.00 0.00 C ATOM 0 H LEU A 29 -3.139 -8.266 -11.974 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.858 -5.800 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.144 -5.218 -13.739 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.090 -6.616 -13.807 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.832 -7.327 -13.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.826 -6.927 -15.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.417 -5.410 -14.447 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.378 -6.010 -15.761 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.514 -8.994 -14.847 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.980 -8.213 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.155 -8.972 -13.698 1.00 0.00 H new ATOM 441 N ILE A 30 -5.066 -5.734 -11.001 1.00 0.00 N ATOM 442 CA ILE A 30 -6.105 -4.947 -10.359 1.00 0.00 C ATOM 443 C ILE A 30 -5.765 -4.775 -8.877 1.00 0.00 C ATOM 444 O ILE A 30 -6.232 -3.836 -8.234 1.00 0.00 O ATOM 445 CB ILE A 30 -7.480 -5.571 -10.606 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.581 -6.951 -9.954 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.799 -5.619 -12.102 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.950 -6.833 -8.474 1.00 0.00 C ATOM 0 H ILE A 30 -5.360 -6.662 -11.304 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.151 -3.949 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.232 -4.937 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.331 -7.548 -10.473 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.631 -7.475 -10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.782 -6.067 -12.250 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.796 -4.607 -12.507 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.046 -6.217 -12.615 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.015 -7.828 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.186 -6.256 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.912 -6.330 -8.378 1.00 0.00 H new ATOM 460 N ALA A 31 -4.955 -5.697 -8.378 1.00 0.00 N ATOM 461 CA ALA A 31 -4.547 -5.659 -6.983 1.00 0.00 C ATOM 462 C ALA A 31 -3.654 -4.439 -6.751 1.00 0.00 C ATOM 463 O ALA A 31 -3.988 -3.563 -5.955 1.00 0.00 O ATOM 464 CB ALA A 31 -3.850 -6.971 -6.619 1.00 0.00 C ATOM 0 H ALA A 31 -4.570 -6.475 -8.914 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.415 -5.560 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.544 -6.943 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.537 -7.803 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.972 -7.104 -7.250 1.00 0.00 H new ATOM 470 N GLY A 32 -2.535 -4.421 -7.460 1.00 0.00 N ATOM 471 CA GLY A 32 -1.590 -3.324 -7.341 1.00 0.00 C ATOM 472 C GLY A 32 -2.257 -1.988 -7.676 1.00 0.00 C ATOM 473 O GLY A 32 -2.056 -0.997 -6.976 1.00 0.00 O ATOM 0 H GLY A 32 -2.261 -5.149 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.191 -3.291 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.746 -3.492 -8.011 1.00 0.00 H new ATOM 477 N LEU A 33 -3.037 -2.005 -8.747 1.00 0.00 N ATOM 478 CA LEU A 33 -3.734 -0.807 -9.184 1.00 0.00 C ATOM 479 C LEU A 33 -4.597 -0.278 -8.037 1.00 0.00 C ATOM 480 O LEU A 33 -4.606 0.922 -7.764 1.00 0.00 O ATOM 481 CB LEU A 33 -4.520 -1.083 -10.468 1.00 0.00 C ATOM 482 CG LEU A 33 -5.598 -0.058 -10.827 1.00 0.00 C ATOM 483 CD1 LEU A 33 -5.312 0.584 -12.186 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.992 -0.686 -10.772 1.00 0.00 C ATOM 0 H LEU A 33 -3.202 -2.829 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.021 -0.022 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.814 -1.144 -11.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.992 -2.061 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.574 0.738 -10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.093 1.308 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.346 1.089 -12.154 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.293 -0.187 -12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.739 0.064 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.047 -1.513 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.184 -1.057 -9.765 1.00 0.00 H new ATOM 496 N PHE A 34 -5.302 -1.198 -7.395 1.00 0.00 N ATOM 497 CA PHE A 34 -6.166 -0.840 -6.283 1.00 0.00 C ATOM 498 C PHE A 34 -5.362 -0.203 -5.148 1.00 0.00 C ATOM 499 O PHE A 34 -5.770 0.813 -4.587 1.00 0.00 O ATOM 500 CB PHE A 34 -6.804 -2.134 -5.777 1.00 0.00 C ATOM 501 CG PHE A 34 -7.933 -1.918 -4.767 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.112 -1.373 -5.170 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.757 -2.270 -3.465 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.159 -1.172 -4.232 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.804 -2.070 -2.527 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.983 -1.525 -2.931 1.00 0.00 C ATOM 0 H PHE A 34 -5.292 -2.192 -7.624 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.915 -0.119 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.194 -2.692 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.033 -2.752 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.252 -1.093 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.820 -2.702 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.095 -0.739 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.664 -2.350 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.780 -1.373 -2.218 1.00 0.00 H new ATOM 516 N VAL A 35 -4.234 -0.828 -4.841 1.00 0.00 N ATOM 517 CA VAL A 35 -3.370 -0.335 -3.782 1.00 0.00 C ATOM 518 C VAL A 35 -2.816 1.035 -4.178 1.00 0.00 C ATOM 519 O VAL A 35 -2.625 1.901 -3.326 1.00 0.00 O ATOM 520 CB VAL A 35 -2.274 -1.360 -3.482 1.00 0.00 C ATOM 521 CG1 VAL A 35 -1.334 -0.852 -2.387 1.00 0.00 C ATOM 522 CG2 VAL A 35 -2.878 -2.713 -3.103 1.00 0.00 C ATOM 0 H VAL A 35 -3.899 -1.671 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.934 -0.202 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.687 -1.499 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.564 -1.599 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.865 0.076 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.902 -0.671 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.078 -3.423 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.501 -2.598 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.487 -3.084 -3.928 1.00 0.00 H new ATOM 532 N GLY A 36 -2.572 1.188 -5.471 1.00 0.00 N ATOM 533 CA GLY A 36 -2.043 2.438 -5.991 1.00 0.00 C ATOM 534 C GLY A 36 -3.086 3.553 -5.903 1.00 0.00 C ATOM 535 O GLY A 36 -2.758 4.690 -5.569 1.00 0.00 O ATOM 0 H GLY A 36 -2.731 0.467 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.153 2.722 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.736 2.304 -7.028 1.00 0.00 H new ATOM 539 N CYS A 37 -4.323 3.188 -6.209 1.00 0.00 N ATOM 540 CA CYS A 37 -5.417 4.144 -6.169 1.00 0.00 C ATOM 541 C CYS A 37 -5.618 4.583 -4.717 1.00 0.00 C ATOM 542 O CYS A 37 -5.540 5.771 -4.407 1.00 0.00 O ATOM 543 CB CYS A 37 -6.697 3.564 -6.773 1.00 0.00 C ATOM 544 SG CYS A 37 -7.769 4.916 -7.385 1.00 0.00 S ATOM 0 H CYS A 37 -4.592 2.244 -6.486 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.168 5.012 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.449 2.887 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.229 2.978 -6.024 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.852 4.413 -7.898 1.00 0.00 H new ATOM 550 N LEU A 38 -5.874 3.600 -3.866 1.00 0.00 N ATOM 551 CA LEU A 38 -6.087 3.870 -2.454 1.00 0.00 C ATOM 552 C LEU A 38 -4.825 4.500 -1.863 1.00 0.00 C ATOM 553 O LEU A 38 -4.891 5.205 -0.857 1.00 0.00 O ATOM 554 CB LEU A 38 -6.539 2.601 -1.728 1.00 0.00 C ATOM 555 CG LEU A 38 -5.518 1.463 -1.668 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.609 1.607 -0.446 1.00 0.00 C ATOM 557 CD2 LEU A 38 -6.212 0.101 -1.708 1.00 0.00 C ATOM 0 H LEU A 38 -5.939 2.616 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.895 4.590 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.816 2.869 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.440 2.229 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.883 1.527 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.893 0.786 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.073 2.555 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.213 1.583 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.464 -0.690 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.886 0.011 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.782 0.010 -2.633 1.00 0.00 H new ATOM 569 N ALA A 39 -3.704 4.222 -2.513 1.00 0.00 N ATOM 570 CA ALA A 39 -2.428 4.753 -2.064 1.00 0.00 C ATOM 571 C ALA A 39 -2.430 6.275 -2.218 1.00 0.00 C ATOM 572 O ALA A 39 -2.153 7.000 -1.264 1.00 0.00 O ATOM 573 CB ALA A 39 -1.294 4.089 -2.848 1.00 0.00 C ATOM 0 H ALA A 39 -3.653 3.636 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.270 4.529 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.337 4.487 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.318 3.012 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.418 4.294 -3.911 1.00 0.00 H new ATOM 579 N GLY A 40 -2.746 6.715 -3.428 1.00 0.00 N ATOM 580 CA GLY A 40 -2.789 8.137 -3.720 1.00 0.00 C ATOM 581 C GLY A 40 -3.963 8.809 -3.005 1.00 0.00 C ATOM 582 O GLY A 40 -3.764 9.686 -2.165 1.00 0.00 O ATOM 0 H GLY A 40 -2.975 6.111 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.854 8.604 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.879 8.288 -4.796 1.00 0.00 H new ATOM 586 N TYR A 41 -5.161 8.372 -3.364 1.00 0.00 N ATOM 587 CA TYR A 41 -6.367 8.920 -2.767 1.00 0.00 C ATOM 588 C TYR A 41 -6.302 8.856 -1.240 1.00 0.00 C ATOM 589 O TYR A 41 -6.556 9.849 -0.562 1.00 0.00 O ATOM 590 CB TYR A 41 -7.517 8.036 -3.254 1.00 0.00 C ATOM 591 CG TYR A 41 -8.898 8.681 -3.117 1.00 0.00 C ATOM 592 CD1 TYR A 41 -9.343 9.570 -4.074 1.00 0.00 C ATOM 593 CD2 TYR A 41 -9.700 8.372 -2.037 1.00 0.00 C ATOM 594 CE1 TYR A 41 -10.642 10.177 -3.945 1.00 0.00 C ATOM 595 CE2 TYR A 41 -10.999 8.978 -1.908 1.00 0.00 C ATOM 596 CZ TYR A 41 -11.406 9.851 -2.868 1.00 0.00 C ATOM 597 OH TYR A 41 -12.634 10.424 -2.746 1.00 0.00 O ATOM 0 H TYR A 41 -5.322 7.645 -4.061 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.494 9.965 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.348 7.781 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.506 7.102 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.716 9.811 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.353 7.675 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.002 10.875 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.636 8.745 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.068 10.098 -1.930 1.00 0.00 H new ATOM 607 N GLY A 42 -5.959 7.676 -0.744 1.00 0.00 N ATOM 608 CA GLY A 42 -5.856 7.469 0.691 1.00 0.00 C ATOM 609 C GLY A 42 -4.777 8.367 1.299 1.00 0.00 C ATOM 610 O GLY A 42 -5.040 9.101 2.250 1.00 0.00 O ATOM 0 H GLY A 42 -5.749 6.854 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.816 7.679 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.622 6.424 0.895 1.00 0.00 H new ATOM 614 N ALA A 43 -3.587 8.279 0.725 1.00 0.00 N ATOM 615 CA ALA A 43 -2.467 9.075 1.198 1.00 0.00 C ATOM 616 C ALA A 43 -2.938 10.508 1.454 1.00 0.00 C ATOM 617 O ALA A 43 -2.763 11.036 2.552 1.00 0.00 O ATOM 618 CB ALA A 43 -1.327 9.009 0.180 1.00 0.00 C ATOM 0 H ALA A 43 -3.373 7.669 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.086 8.680 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.487 9.606 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.009 7.974 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.671 9.400 -0.777 1.00 0.00 H new ATOM 624 N TYR A 44 -3.525 11.098 0.423 1.00 0.00 N ATOM 625 CA TYR A 44 -4.022 12.459 0.523 1.00 0.00 C ATOM 626 C TYR A 44 -2.923 13.410 1.002 1.00 0.00 C ATOM 627 O TYR A 44 -3.211 14.506 1.482 1.00 0.00 O ATOM 628 CB TYR A 44 -5.140 12.425 1.567 1.00 0.00 C ATOM 629 CG TYR A 44 -6.179 13.535 1.403 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.872 13.662 0.216 1.00 0.00 C ATOM 631 CD2 TYR A 44 -6.424 14.411 2.442 1.00 0.00 C ATOM 632 CE1 TYR A 44 -7.851 14.708 0.062 1.00 0.00 C ATOM 633 CE2 TYR A 44 -7.402 15.456 2.287 1.00 0.00 C ATOM 634 CZ TYR A 44 -8.067 15.553 1.105 1.00 0.00 C ATOM 635 OH TYR A 44 -8.990 16.541 0.959 1.00 0.00 O ATOM 0 H TYR A 44 -3.667 10.658 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.368 12.813 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.643 11.460 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.698 12.499 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.680 12.978 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.882 14.312 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.401 14.818 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.603 16.148 3.092 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.040 17.067 1.784 1.00 0.00 H new ATOM 645 N ARG A 45 -1.687 12.957 0.855 1.00 0.00 N ATOM 646 CA ARG A 45 -0.544 13.754 1.266 1.00 0.00 C ATOM 647 C ARG A 45 0.396 13.986 0.081 1.00 0.00 C ATOM 648 O ARG A 45 1.456 14.590 0.234 1.00 0.00 O ATOM 649 CB ARG A 45 0.229 13.067 2.394 1.00 0.00 C ATOM 650 CG ARG A 45 0.121 13.862 3.697 1.00 0.00 C ATOM 651 CD ARG A 45 1.482 14.428 4.108 1.00 0.00 C ATOM 652 NE ARG A 45 1.645 14.335 5.576 1.00 0.00 N ATOM 653 CZ ARG A 45 1.139 15.220 6.446 1.00 0.00 C ATOM 654 NH1 ARG A 45 0.434 16.269 6.000 1.00 0.00 N ATOM 655 NH2 ARG A 45 1.338 15.056 7.761 1.00 0.00 N ATOM 0 H ARG A 45 -1.452 12.048 0.457 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.920 14.711 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.160 12.060 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.277 12.965 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.593 14.676 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.264 13.219 4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.280 13.878 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.564 15.467 3.790 1.00 0.00 H new ATOM 0 HE ARG A 45 2.176 13.548 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.283 16.393 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.049 16.943 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.875 14.258 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.953 15.730 8.423 1.00 0.00 H new ATOM 669 N VAL A 46 -0.028 13.494 -1.074 1.00 0.00 N ATOM 670 CA VAL A 46 0.762 13.640 -2.284 1.00 0.00 C ATOM 671 C VAL A 46 0.904 15.126 -2.619 1.00 0.00 C ATOM 672 O VAL A 46 1.731 15.503 -3.448 1.00 0.00 O ATOM 673 CB VAL A 46 0.135 12.828 -3.420 1.00 0.00 C ATOM 674 CG1 VAL A 46 0.893 13.044 -4.731 1.00 0.00 C ATOM 675 CG2 VAL A 46 0.071 11.342 -3.061 1.00 0.00 C ATOM 0 H VAL A 46 -0.908 12.994 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 46 1.766 13.243 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.886 13.182 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.427 12.456 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.863 14.100 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.930 12.730 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.379 10.788 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.078 10.968 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.533 11.210 -2.163 1.00 0.00 H new ATOM 685 N SER A 47 0.084 15.930 -1.958 1.00 0.00 N ATOM 686 CA SER A 47 0.108 17.366 -2.175 1.00 0.00 C ATOM 687 C SER A 47 1.048 18.032 -1.169 1.00 0.00 C ATOM 688 O SER A 47 1.069 19.256 -1.049 1.00 0.00 O ATOM 689 CB SER A 47 -1.297 17.963 -2.065 1.00 0.00 C ATOM 690 OG SER A 47 -1.570 18.883 -3.118 1.00 0.00 O ATOM 0 H SER A 47 -0.601 15.614 -1.272 1.00 0.00 H new ATOM 0 HA SER A 47 0.475 17.553 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.034 17.161 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.402 18.469 -1.105 1.00 0.00 H new ATOM 0 HG SER A 47 -2.476 19.241 -3.013 1.00 0.00 H new ATOM 696 N ASN A 48 1.803 17.197 -0.470 1.00 0.00 N ATOM 697 CA ASN A 48 2.743 17.690 0.522 1.00 0.00 C ATOM 698 C ASN A 48 4.144 17.744 -0.091 1.00 0.00 C ATOM 699 O ASN A 48 4.705 18.824 -0.272 1.00 0.00 O ATOM 700 CB ASN A 48 2.795 16.764 1.739 1.00 0.00 C ATOM 701 CG ASN A 48 3.520 17.435 2.908 1.00 0.00 C ATOM 702 OD1 ASN A 48 3.050 18.396 3.494 1.00 0.00 O ATOM 703 ND2 ASN A 48 4.687 16.876 3.213 1.00 0.00 N ATOM 0 H ASN A 48 1.783 16.182 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 48 2.413 18.680 0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.782 16.496 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.304 15.838 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.247 17.250 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.022 16.073 2.681 1.00 0.00 H new ATOM 710 N ASP A 49 4.668 16.566 -0.394 1.00 0.00 N ATOM 711 CA ASP A 49 5.993 16.465 -0.983 1.00 0.00 C ATOM 712 C ASP A 49 5.874 16.526 -2.507 1.00 0.00 C ATOM 713 O ASP A 49 6.877 16.447 -3.215 1.00 0.00 O ATOM 714 CB ASP A 49 6.661 15.140 -0.614 1.00 0.00 C ATOM 715 CG ASP A 49 8.074 15.265 -0.040 1.00 0.00 C ATOM 716 OD1 ASP A 49 8.326 16.073 0.866 1.00 0.00 O ATOM 717 OD2 ASP A 49 8.949 14.479 -0.569 1.00 0.00 O ATOM 0 H ASP A 49 4.199 15.673 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 49 6.595 17.290 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.034 14.625 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.701 14.511 -1.503 1.00 0.00 H new ATOM 722 N LYS A 50 4.639 16.666 -2.968 1.00 0.00 N ATOM 723 CA LYS A 50 4.377 16.739 -4.395 1.00 0.00 C ATOM 724 C LYS A 50 4.634 15.369 -5.026 1.00 0.00 C ATOM 725 O LYS A 50 5.012 15.281 -6.193 1.00 0.00 O ATOM 726 CB LYS A 50 5.185 17.871 -5.032 1.00 0.00 C ATOM 727 CG LYS A 50 4.720 18.138 -6.465 1.00 0.00 C ATOM 728 CD LYS A 50 4.652 19.640 -6.748 1.00 0.00 C ATOM 729 CE LYS A 50 4.858 19.927 -8.236 1.00 0.00 C ATOM 730 NZ LYS A 50 5.159 21.360 -8.451 1.00 0.00 N ATOM 0 H LYS A 50 3.809 16.731 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 50 3.331 16.984 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.079 18.778 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.244 17.612 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.404 17.662 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.739 17.690 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.686 20.030 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.413 20.158 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.675 19.316 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.963 19.650 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.296 21.537 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.367 21.937 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.026 21.614 -7.935 1.00 0.00 H new ATOM 744 N ARG A 51 4.417 14.335 -4.228 1.00 0.00 N ATOM 745 CA ARG A 51 4.620 12.973 -4.694 1.00 0.00 C ATOM 746 C ARG A 51 3.807 12.721 -5.966 1.00 0.00 C ATOM 747 O ARG A 51 3.124 13.617 -6.458 1.00 0.00 O ATOM 748 CB ARG A 51 4.210 11.958 -3.625 1.00 0.00 C ATOM 749 CG ARG A 51 4.571 12.459 -2.225 1.00 0.00 C ATOM 750 CD ARG A 51 5.219 11.350 -1.396 1.00 0.00 C ATOM 751 NE ARG A 51 4.244 10.263 -1.154 1.00 0.00 N ATOM 752 CZ ARG A 51 4.343 9.373 -0.157 1.00 0.00 C ATOM 753 NH1 ARG A 51 5.373 9.435 0.697 1.00 0.00 N ATOM 754 NH2 ARG A 51 3.411 8.421 -0.014 1.00 0.00 N ATOM 0 H ARG A 51 4.102 14.412 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 51 5.682 12.850 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.137 11.776 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.706 11.006 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.253 13.306 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.674 12.818 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.092 10.957 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.570 11.753 -0.446 1.00 0.00 H new ATOM 0 HE ARG A 51 3.447 10.187 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.082 10.160 0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.448 8.757 1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.626 8.374 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.486 7.744 0.745 1.00 0.00 H new ATOM 768 N ASP A 52 3.909 11.497 -6.461 1.00 0.00 N ATOM 769 CA ASP A 52 3.192 11.115 -7.666 1.00 0.00 C ATOM 770 C ASP A 52 3.351 9.611 -7.894 1.00 0.00 C ATOM 771 O ASP A 52 2.394 8.852 -7.746 1.00 0.00 O ATOM 772 CB ASP A 52 3.751 11.841 -8.892 1.00 0.00 C ATOM 773 CG ASP A 52 2.705 12.550 -9.756 1.00 0.00 C ATOM 774 OD1 ASP A 52 1.998 11.773 -10.504 1.00 0.00 O ATOM 775 OD2 ASP A 52 2.573 13.782 -9.715 1.00 0.00 O ATOM 0 H ASP A 52 4.477 10.756 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 52 2.144 11.383 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.483 12.576 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.284 11.119 -9.512 1.00 0.00 H new ATOM 780 N VAL A 53 4.567 9.224 -8.251 1.00 0.00 N ATOM 781 CA VAL A 53 4.863 7.823 -8.501 1.00 0.00 C ATOM 782 C VAL A 53 5.710 7.273 -7.352 1.00 0.00 C ATOM 783 O VAL A 53 5.907 6.063 -7.245 1.00 0.00 O ATOM 784 CB VAL A 53 5.535 7.666 -9.867 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.650 6.191 -10.255 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.787 8.459 -10.940 1.00 0.00 C ATOM 0 H VAL A 53 5.358 9.856 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 53 3.944 7.239 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 53 6.544 8.072 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.131 6.108 -11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.246 5.664 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.655 5.749 -10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.285 8.330 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.761 8.097 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.781 9.516 -10.673 1.00 0.00 H new ATOM 796 N LYS A 54 6.187 8.187 -6.520 1.00 0.00 N ATOM 797 CA LYS A 54 7.008 7.808 -5.382 1.00 0.00 C ATOM 798 C LYS A 54 6.239 6.810 -4.514 1.00 0.00 C ATOM 799 O LYS A 54 6.761 5.751 -4.169 1.00 0.00 O ATOM 800 CB LYS A 54 7.477 9.050 -4.622 1.00 0.00 C ATOM 801 CG LYS A 54 8.893 8.857 -4.077 1.00 0.00 C ATOM 802 CD LYS A 54 9.773 10.068 -4.394 1.00 0.00 C ATOM 803 CE LYS A 54 11.216 9.831 -3.944 1.00 0.00 C ATOM 804 NZ LYS A 54 11.908 11.120 -3.722 1.00 0.00 N ATOM 0 H LYS A 54 6.021 9.189 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 54 7.916 7.307 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.453 9.916 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.792 9.258 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.854 8.704 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.334 7.959 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.751 10.268 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.374 10.952 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.225 9.244 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.748 9.251 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.886 10.941 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.916 11.667 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.409 11.660 -2.986 1.00 0.00 H new ATOM 818 N VAL A 55 5.011 7.182 -4.186 1.00 0.00 N ATOM 819 CA VAL A 55 4.165 6.333 -3.365 1.00 0.00 C ATOM 820 C VAL A 55 3.881 5.029 -4.113 1.00 0.00 C ATOM 821 O VAL A 55 3.692 3.982 -3.494 1.00 0.00 O ATOM 822 CB VAL A 55 2.892 7.086 -2.971 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.061 7.441 -4.206 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.066 6.278 -1.968 1.00 0.00 C ATOM 0 H VAL A 55 4.581 8.061 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 55 4.672 6.072 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 55 3.189 8.017 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.162 7.975 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.649 8.073 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.779 6.528 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.167 6.835 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.784 5.324 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.658 6.098 -1.070 1.00 0.00 H new ATOM 834 N SER A 56 3.858 5.133 -5.433 1.00 0.00 N ATOM 835 CA SER A 56 3.600 3.975 -6.272 1.00 0.00 C ATOM 836 C SER A 56 4.656 2.898 -6.016 1.00 0.00 C ATOM 837 O SER A 56 4.327 1.785 -5.609 1.00 0.00 O ATOM 838 CB SER A 56 3.582 4.360 -7.753 1.00 0.00 C ATOM 839 OG SER A 56 2.544 3.692 -8.465 1.00 0.00 O ATOM 0 H SER A 56 4.014 6.002 -5.943 1.00 0.00 H new ATOM 0 HA SER A 56 2.617 3.579 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.450 5.438 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.545 4.117 -8.203 1.00 0.00 H new ATOM 0 HG SER A 56 2.767 3.664 -9.419 1.00 0.00 H new ATOM 845 N LEU A 57 5.904 3.267 -6.266 1.00 0.00 N ATOM 846 CA LEU A 57 7.011 2.347 -6.068 1.00 0.00 C ATOM 847 C LEU A 57 7.040 1.899 -4.605 1.00 0.00 C ATOM 848 O LEU A 57 6.899 0.712 -4.313 1.00 0.00 O ATOM 849 CB LEU A 57 8.322 2.974 -6.545 1.00 0.00 C ATOM 850 CG LEU A 57 9.247 2.062 -7.352 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.066 2.867 -8.364 1.00 0.00 C ATOM 852 CD2 LEU A 57 10.138 1.228 -6.428 1.00 0.00 C ATOM 0 H LEU A 57 6.173 4.191 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 57 6.875 1.451 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.084 3.847 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.869 3.333 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 57 8.629 1.366 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.715 2.194 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.393 3.378 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.674 3.603 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.786 0.588 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.749 1.891 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.515 0.610 -5.782 1.00 0.00 H new ATOM 864 N PHE A 58 7.225 2.872 -3.725 1.00 0.00 N ATOM 865 CA PHE A 58 7.275 2.593 -2.300 1.00 0.00 C ATOM 866 C PHE A 58 6.132 1.665 -1.883 1.00 0.00 C ATOM 867 O PHE A 58 6.289 0.850 -0.975 1.00 0.00 O ATOM 868 CB PHE A 58 7.119 3.931 -1.576 1.00 0.00 C ATOM 869 CG PHE A 58 8.091 4.125 -0.410 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.376 4.498 -0.651 1.00 0.00 C ATOM 871 CD2 PHE A 58 7.669 3.923 0.867 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.278 4.677 0.432 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.570 4.102 1.949 1.00 0.00 C ATOM 874 CZ PHE A 58 9.856 4.476 1.709 1.00 0.00 C ATOM 0 H PHE A 58 7.342 3.855 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 58 8.216 2.103 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.262 4.739 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.098 4.013 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.711 4.658 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.648 3.626 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.299 4.973 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.235 3.941 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.541 4.613 2.532 1.00 0.00 H new ATOM 884 N THR A 59 5.007 1.820 -2.566 1.00 0.00 N ATOM 885 CA THR A 59 3.838 1.007 -2.277 1.00 0.00 C ATOM 886 C THR A 59 4.076 -0.441 -2.710 1.00 0.00 C ATOM 887 O THR A 59 3.941 -1.363 -1.908 1.00 0.00 O ATOM 888 CB THR A 59 2.631 1.655 -2.959 1.00 0.00 C ATOM 889 OG1 THR A 59 2.252 2.703 -2.071 1.00 0.00 O ATOM 890 CG2 THR A 59 1.411 0.732 -2.990 1.00 0.00 C ATOM 0 H THR A 59 4.880 2.497 -3.319 1.00 0.00 H new ATOM 0 HA THR A 59 3.640 0.965 -1.206 1.00 0.00 H new ATOM 0 HB THR A 59 2.898 1.938 -3.977 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.880 3.450 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.583 1.240 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.657 -0.178 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.123 0.476 -1.971 1.00 0.00 H new ATOM 898 N ALA A 60 4.425 -0.595 -3.979 1.00 0.00 N ATOM 899 CA ALA A 60 4.682 -1.916 -4.529 1.00 0.00 C ATOM 900 C ALA A 60 5.711 -2.636 -3.655 1.00 0.00 C ATOM 901 O ALA A 60 5.547 -3.813 -3.339 1.00 0.00 O ATOM 902 CB ALA A 60 5.143 -1.783 -5.982 1.00 0.00 C ATOM 0 H ALA A 60 4.536 0.172 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 60 3.772 -2.516 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.336 -2.773 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.366 -1.291 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.056 -1.190 -6.021 1.00 0.00 H new ATOM 908 N PHE A 61 6.749 -1.898 -3.288 1.00 0.00 N ATOM 909 CA PHE A 61 7.804 -2.452 -2.456 1.00 0.00 C ATOM 910 C PHE A 61 7.266 -2.848 -1.080 1.00 0.00 C ATOM 911 O PHE A 61 7.647 -3.883 -0.535 1.00 0.00 O ATOM 912 CB PHE A 61 8.857 -1.356 -2.282 1.00 0.00 C ATOM 913 CG PHE A 61 10.296 -1.842 -2.463 1.00 0.00 C ATOM 914 CD1 PHE A 61 10.774 -2.104 -3.710 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.099 -2.011 -1.378 1.00 0.00 C ATOM 916 CE1 PHE A 61 12.110 -2.555 -3.878 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.434 -2.463 -1.547 1.00 0.00 C ATOM 918 CZ PHE A 61 12.912 -2.725 -2.793 1.00 0.00 C ATOM 0 H PHE A 61 6.882 -0.922 -3.551 1.00 0.00 H new ATOM 0 HA PHE A 61 8.218 -3.344 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.660 -0.560 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.753 -0.921 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.137 -1.969 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.721 -1.801 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.489 -2.763 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.071 -2.599 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.928 -3.068 -2.921 1.00 0.00 H new ATOM 928 N PHE A 62 6.387 -2.005 -0.558 1.00 0.00 N ATOM 929 CA PHE A 62 5.793 -2.255 0.744 1.00 0.00 C ATOM 930 C PHE A 62 4.937 -3.523 0.722 1.00 0.00 C ATOM 931 O PHE A 62 5.156 -4.438 1.514 1.00 0.00 O ATOM 932 CB PHE A 62 4.899 -1.056 1.066 1.00 0.00 C ATOM 933 CG PHE A 62 5.297 -0.306 2.339 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.186 0.721 2.273 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.762 -0.667 3.536 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.556 1.417 3.454 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.132 0.029 4.717 1.00 0.00 C ATOM 938 CZ PHE A 62 6.021 1.056 4.652 1.00 0.00 C ATOM 0 H PHE A 62 6.072 -1.148 -1.013 1.00 0.00 H new ATOM 0 HA PHE A 62 6.576 -2.390 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.923 -0.362 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.870 -1.400 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.611 1.007 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.056 -1.483 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.262 2.233 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.707 -0.257 5.668 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.302 1.585 5.551 1.00 0.00 H new ATOM 948 N LEU A 63 3.979 -3.536 -0.194 1.00 0.00 N ATOM 949 CA LEU A 63 3.089 -4.676 -0.330 1.00 0.00 C ATOM 950 C LEU A 63 3.920 -5.947 -0.515 1.00 0.00 C ATOM 951 O LEU A 63 3.556 -7.010 -0.015 1.00 0.00 O ATOM 952 CB LEU A 63 2.076 -4.435 -1.451 1.00 0.00 C ATOM 953 CG LEU A 63 0.602 -4.484 -1.045 1.00 0.00 C ATOM 954 CD1 LEU A 63 0.183 -5.909 -0.675 1.00 0.00 C ATOM 955 CD2 LEU A 63 0.309 -3.490 0.080 1.00 0.00 C ATOM 0 H LEU A 63 3.800 -2.775 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 63 2.500 -4.809 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.278 -3.459 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.243 -5.179 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 63 0.001 -4.184 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.869 -5.917 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.332 -6.566 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.788 -6.261 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.746 -3.546 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.919 -3.735 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.545 -2.480 -0.256 1.00 0.00 H new ATOM 967 N ALA A 64 5.022 -5.796 -1.236 1.00 0.00 N ATOM 968 CA ALA A 64 5.907 -6.918 -1.494 1.00 0.00 C ATOM 969 C ALA A 64 6.493 -7.415 -0.170 1.00 0.00 C ATOM 970 O ALA A 64 6.282 -8.564 0.214 1.00 0.00 O ATOM 971 CB ALA A 64 6.990 -6.497 -2.489 1.00 0.00 C ATOM 0 H ALA A 64 5.321 -4.913 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 64 5.357 -7.745 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.654 -7.340 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.524 -6.181 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.565 -5.670 -2.073 1.00 0.00 H new ATOM 977 N THR A 65 7.218 -6.524 0.490 1.00 0.00 N ATOM 978 CA THR A 65 7.836 -6.857 1.763 1.00 0.00 C ATOM 979 C THR A 65 6.766 -7.199 2.802 1.00 0.00 C ATOM 980 O THR A 65 7.078 -7.721 3.871 1.00 0.00 O ATOM 981 CB THR A 65 8.730 -5.686 2.175 1.00 0.00 C ATOM 982 OG1 THR A 65 9.553 -6.224 3.206 1.00 0.00 O ATOM 983 CG2 THR A 65 7.949 -4.567 2.866 1.00 0.00 C ATOM 0 H THR A 65 7.392 -5.572 0.168 1.00 0.00 H new ATOM 0 HA THR A 65 8.459 -7.747 1.679 1.00 0.00 H new ATOM 0 HB THR A 65 9.233 -5.286 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.071 -6.941 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.631 -3.761 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.186 -4.184 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.473 -4.957 3.765 1.00 0.00 H new ATOM 991 N ILE A 66 5.526 -6.891 2.451 1.00 0.00 N ATOM 992 CA ILE A 66 4.408 -7.159 3.340 1.00 0.00 C ATOM 993 C ILE A 66 3.967 -8.615 3.173 1.00 0.00 C ATOM 994 O ILE A 66 4.200 -9.442 4.052 1.00 0.00 O ATOM 995 CB ILE A 66 3.285 -6.146 3.109 1.00 0.00 C ATOM 996 CG1 ILE A 66 3.590 -4.820 3.809 1.00 0.00 C ATOM 997 CG2 ILE A 66 1.932 -6.721 3.533 1.00 0.00 C ATOM 998 CD1 ILE A 66 2.683 -3.704 3.288 1.00 0.00 C ATOM 0 H ILE A 66 5.271 -6.458 1.563 1.00 0.00 H new ATOM 0 HA ILE A 66 4.710 -7.034 4.380 1.00 0.00 H new ATOM 0 HB ILE A 66 3.226 -5.939 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.453 -4.933 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.634 -4.551 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.151 -5.981 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.719 -7.617 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.961 -6.975 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.920 -2.772 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.840 -3.578 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.641 -3.965 3.474 1.00 0.00 H new ATOM 1010 N MET A 67 3.338 -8.883 2.038 1.00 0.00 N ATOM 1011 CA MET A 67 2.863 -10.224 1.744 1.00 0.00 C ATOM 1012 C MET A 67 4.008 -11.119 1.265 1.00 0.00 C ATOM 1013 O MET A 67 4.190 -12.224 1.772 1.00 0.00 O ATOM 1014 CB MET A 67 1.780 -10.157 0.665 1.00 0.00 C ATOM 1015 CG MET A 67 0.384 -10.151 1.290 1.00 0.00 C ATOM 1016 SD MET A 67 -0.823 -10.694 0.092 1.00 0.00 S ATOM 1017 CE MET A 67 -1.861 -9.244 0.018 1.00 0.00 C ATOM 0 H MET A 67 3.146 -8.194 1.311 1.00 0.00 H new ATOM 0 HA MET A 67 2.451 -10.652 2.658 1.00 0.00 H new ATOM 0 HB2 MET A 67 1.917 -9.259 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.878 -11.009 -0.007 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.364 -10.806 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.137 -9.148 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.673 -9.413 -0.690 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.277 -9.043 1.005 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.269 -8.389 -0.307 1.00 0.00 H new ATOM 1027 N GLY A 68 4.749 -10.607 0.293 1.00 0.00 N ATOM 1028 CA GLY A 68 5.871 -11.346 -0.261 1.00 0.00 C ATOM 1029 C GLY A 68 5.700 -11.556 -1.766 1.00 0.00 C ATOM 1030 O GLY A 68 6.053 -12.609 -2.294 1.00 0.00 O ATOM 0 H GLY A 68 4.594 -9.690 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.798 -10.805 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.956 -12.312 0.237 1.00 0.00 H new ATOM 1034 N VAL A 69 5.157 -10.536 -2.416 1.00 0.00 N ATOM 1035 CA VAL A 69 4.935 -10.595 -3.850 1.00 0.00 C ATOM 1036 C VAL A 69 6.261 -10.886 -4.556 1.00 0.00 C ATOM 1037 O VAL A 69 6.431 -11.949 -5.151 1.00 0.00 O ATOM 1038 CB VAL A 69 4.273 -9.303 -4.331 1.00 0.00 C ATOM 1039 CG1 VAL A 69 4.290 -9.213 -5.859 1.00 0.00 C ATOM 1040 CG2 VAL A 69 2.846 -9.184 -3.791 1.00 0.00 C ATOM 0 H VAL A 69 4.864 -9.664 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 69 4.250 -11.406 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 69 4.851 -8.465 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.813 -8.285 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.321 -9.230 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.748 -10.060 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.398 -8.257 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.254 -10.030 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.868 -9.180 -2.701 1.00 0.00 H new ATOM 1050 N ARG A 70 7.166 -9.923 -4.466 1.00 0.00 N ATOM 1051 CA ARG A 70 8.472 -10.063 -5.089 1.00 0.00 C ATOM 1052 C ARG A 70 9.055 -11.446 -4.794 1.00 0.00 C ATOM 1053 O ARG A 70 9.416 -11.742 -3.656 1.00 0.00 O ATOM 1054 CB ARG A 70 9.440 -8.990 -4.584 1.00 0.00 C ATOM 1055 CG ARG A 70 10.174 -8.323 -5.749 1.00 0.00 C ATOM 1056 CD ARG A 70 11.649 -8.100 -5.412 1.00 0.00 C ATOM 1057 NE ARG A 70 12.370 -7.597 -6.602 1.00 0.00 N ATOM 1058 CZ ARG A 70 13.600 -7.065 -6.567 1.00 0.00 C ATOM 1059 NH1 ARG A 70 14.253 -6.965 -5.401 1.00 0.00 N ATOM 1060 NH2 ARG A 70 14.176 -6.635 -7.697 1.00 0.00 N ATOM 0 H ARG A 70 7.021 -9.043 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 70 8.342 -9.942 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.892 -8.238 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.163 -9.439 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.091 -8.945 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.702 -7.368 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.739 -7.386 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.098 -9.033 -5.072 1.00 0.00 H new ATOM 0 HE ARG A 70 11.902 -7.659 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.814 -7.294 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.189 -6.560 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.679 -6.712 -8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.112 -6.230 -7.670 1.00 0.00 H new ATOM 1074 N PHE A 71 9.130 -12.257 -5.839 1.00 0.00 N ATOM 1075 CA PHE A 71 9.663 -13.602 -5.707 1.00 0.00 C ATOM 1076 C PHE A 71 10.363 -14.043 -6.993 1.00 0.00 C ATOM 1077 O PHE A 71 11.505 -14.500 -6.958 1.00 0.00 O ATOM 1078 CB PHE A 71 8.476 -14.530 -5.442 1.00 0.00 C ATOM 1079 CG PHE A 71 8.729 -15.568 -4.347 1.00 0.00 C ATOM 1080 CD1 PHE A 71 8.609 -15.218 -3.038 1.00 0.00 C ATOM 1081 CD2 PHE A 71 9.074 -16.840 -4.683 1.00 0.00 C ATOM 1082 CE1 PHE A 71 8.845 -16.182 -2.022 1.00 0.00 C ATOM 1083 CE2 PHE A 71 9.310 -17.803 -3.666 1.00 0.00 C ATOM 1084 CZ PHE A 71 9.190 -17.454 -2.357 1.00 0.00 C ATOM 0 H PHE A 71 8.830 -12.008 -6.782 1.00 0.00 H new ATOM 0 HA PHE A 71 10.393 -13.635 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.612 -13.927 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.219 -15.047 -6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.335 -14.208 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.168 -17.118 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.750 -15.905 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.585 -18.813 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.369 -18.187 -1.584 1.00 0.00 H new ATOM 1094 N LYS A 72 9.650 -13.891 -8.100 1.00 0.00 N ATOM 1095 CA LYS A 72 10.189 -14.268 -9.395 1.00 0.00 C ATOM 1096 C LYS A 72 9.139 -14.003 -10.476 1.00 0.00 C ATOM 1097 O LYS A 72 8.033 -13.555 -10.176 1.00 0.00 O ATOM 1098 CB LYS A 72 10.691 -15.713 -9.367 1.00 0.00 C ATOM 1099 CG LYS A 72 12.173 -15.786 -9.739 1.00 0.00 C ATOM 1100 CD LYS A 72 12.471 -17.042 -10.560 1.00 0.00 C ATOM 1101 CE LYS A 72 13.979 -17.273 -10.680 1.00 0.00 C ATOM 1102 NZ LYS A 72 14.314 -17.827 -12.011 1.00 0.00 N ATOM 0 H LYS A 72 8.703 -13.512 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 72 11.059 -13.658 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.541 -16.135 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.108 -16.318 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.453 -14.900 -10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.779 -15.787 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.003 -17.907 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.034 -16.943 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.510 -16.334 -10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.311 -17.958 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.341 -17.978 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.822 -18.734 -12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.015 -17.159 -12.750 1.00 0.00 H new ATOM 1116 N ARG A 73 9.522 -14.290 -11.711 1.00 0.00 N ATOM 1117 CA ARG A 73 8.628 -14.088 -12.839 1.00 0.00 C ATOM 1118 C ARG A 73 8.518 -15.371 -13.666 1.00 0.00 C ATOM 1119 O ARG A 73 9.529 -15.928 -14.091 1.00 0.00 O ATOM 1120 CB ARG A 73 9.120 -12.951 -13.736 1.00 0.00 C ATOM 1121 CG ARG A 73 8.938 -11.595 -13.052 1.00 0.00 C ATOM 1122 CD ARG A 73 9.413 -10.456 -13.958 1.00 0.00 C ATOM 1123 NE ARG A 73 9.176 -9.153 -13.298 1.00 0.00 N ATOM 1124 CZ ARG A 73 7.974 -8.570 -13.196 1.00 0.00 C ATOM 1125 NH1 ARG A 73 6.893 -9.171 -13.711 1.00 0.00 N ATOM 1126 NH2 ARG A 73 7.854 -7.386 -12.581 1.00 0.00 N ATOM 0 H ARG A 73 10.440 -14.661 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 73 7.648 -13.823 -12.442 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.172 -13.102 -13.977 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.572 -12.963 -14.678 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.888 -11.449 -12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.497 -11.578 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.474 -10.574 -14.178 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.884 -10.493 -14.910 1.00 0.00 H new ATOM 0 HE ARG A 73 9.978 -8.668 -12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.985 -10.072 -14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.978 -8.728 -13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.678 -6.928 -12.190 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.939 -6.942 -12.503 1.00 0.00 H new ATOM 1140 N SER A 74 7.282 -15.802 -13.869 1.00 0.00 N ATOM 1141 CA SER A 74 7.027 -17.009 -14.637 1.00 0.00 C ATOM 1142 C SER A 74 5.524 -17.292 -14.683 1.00 0.00 C ATOM 1143 O SER A 74 4.943 -17.403 -15.762 1.00 0.00 O ATOM 1144 CB SER A 74 7.775 -18.206 -14.047 1.00 0.00 C ATOM 1145 OG SER A 74 9.058 -18.381 -14.644 1.00 0.00 O ATOM 0 H SER A 74 6.446 -15.337 -13.515 1.00 0.00 H new ATOM 0 HA SER A 74 7.392 -16.852 -15.652 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.891 -18.067 -12.972 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.183 -19.110 -14.189 1.00 0.00 H new ATOM 0 HG SER A 74 9.494 -17.509 -14.744 1.00 0.00 H new ATOM 1151 N LYS A 75 4.939 -17.402 -13.500 1.00 0.00 N ATOM 1152 CA LYS A 75 3.515 -17.671 -13.392 1.00 0.00 C ATOM 1153 C LYS A 75 2.736 -16.377 -13.640 1.00 0.00 C ATOM 1154 O LYS A 75 1.763 -16.369 -14.392 1.00 0.00 O ATOM 1155 CB LYS A 75 3.195 -18.334 -12.051 1.00 0.00 C ATOM 1156 CG LYS A 75 3.184 -19.858 -12.181 1.00 0.00 C ATOM 1157 CD LYS A 75 3.445 -20.526 -10.830 1.00 0.00 C ATOM 1158 CE LYS A 75 3.031 -21.999 -10.857 1.00 0.00 C ATOM 1159 NZ LYS A 75 3.387 -22.661 -9.582 1.00 0.00 N ATOM 0 H LYS A 75 5.425 -17.310 -12.608 1.00 0.00 H new ATOM 0 HA LYS A 75 3.203 -18.383 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.934 -18.034 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.225 -17.989 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.221 -20.186 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.943 -20.171 -12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.503 -20.446 -10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.892 -20.004 -10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.957 -22.078 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.523 -22.506 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.099 -23.660 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.415 -22.602 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.897 -22.187 -8.796 1.00 0.00 H new ATOM 1173 N LYS A 76 3.194 -15.316 -12.993 1.00 0.00 N ATOM 1174 CA LYS A 76 2.552 -14.020 -13.134 1.00 0.00 C ATOM 1175 C LYS A 76 1.133 -14.094 -12.568 1.00 0.00 C ATOM 1176 O LYS A 76 0.180 -13.656 -13.212 1.00 0.00 O ATOM 1177 CB LYS A 76 2.611 -13.548 -14.588 1.00 0.00 C ATOM 1178 CG LYS A 76 3.992 -12.983 -14.926 1.00 0.00 C ATOM 1179 CD LYS A 76 4.096 -12.642 -16.414 1.00 0.00 C ATOM 1180 CE LYS A 76 5.557 -12.485 -16.840 1.00 0.00 C ATOM 1181 NZ LYS A 76 5.759 -11.193 -17.533 1.00 0.00 N ATOM 0 H LYS A 76 4.002 -15.327 -12.370 1.00 0.00 H new ATOM 0 HA LYS A 76 3.086 -13.265 -12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.382 -14.380 -15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.851 -12.785 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.179 -12.089 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.761 -13.709 -14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.624 -13.427 -17.004 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.553 -11.719 -16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.205 -12.540 -15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.840 -13.306 -17.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.756 -11.103 -17.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.155 -11.154 -18.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.508 -10.413 -16.893 1.00 0.00 H new ATOM 1195 N ILE A 77 1.035 -14.652 -11.370 1.00 0.00 N ATOM 1196 CA ILE A 77 -0.252 -14.790 -10.711 1.00 0.00 C ATOM 1197 C ILE A 77 -0.328 -13.808 -9.540 1.00 0.00 C ATOM 1198 O ILE A 77 -1.083 -12.838 -9.586 1.00 0.00 O ATOM 1199 CB ILE A 77 -0.495 -16.246 -10.309 1.00 0.00 C ATOM 1200 CG1 ILE A 77 -0.777 -17.114 -11.538 1.00 0.00 C ATOM 1201 CG2 ILE A 77 -1.611 -16.348 -9.267 1.00 0.00 C ATOM 1202 CD1 ILE A 77 -0.303 -18.551 -11.314 1.00 0.00 C ATOM 0 H ILE A 77 1.827 -15.014 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.060 -14.534 -11.396 1.00 0.00 H new ATOM 0 HB ILE A 77 0.414 -16.629 -9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.845 -17.109 -11.754 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.274 -16.693 -12.408 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.764 -17.393 -8.999 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.332 -15.782 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.534 -15.941 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.515 -19.147 -12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.770 -18.555 -11.122 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.826 -18.977 -10.458 1.00 0.00 H new ATOM 1214 N MET A 78 0.465 -14.093 -8.518 1.00 0.00 N ATOM 1215 CA MET A 78 0.498 -13.248 -7.337 1.00 0.00 C ATOM 1216 C MET A 78 1.251 -11.946 -7.615 1.00 0.00 C ATOM 1217 O MET A 78 0.740 -10.859 -7.349 1.00 0.00 O ATOM 1218 CB MET A 78 1.179 -13.997 -6.190 1.00 0.00 C ATOM 1219 CG MET A 78 0.224 -14.179 -5.009 1.00 0.00 C ATOM 1220 SD MET A 78 1.111 -14.820 -3.599 1.00 0.00 S ATOM 1221 CE MET A 78 -0.197 -14.823 -2.385 1.00 0.00 C ATOM 0 H MET A 78 1.090 -14.898 -8.483 1.00 0.00 H new ATOM 0 HA MET A 78 -0.528 -13.001 -7.062 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.520 -14.971 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.063 -13.447 -5.866 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.239 -13.225 -4.755 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.581 -14.861 -5.283 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.188 -15.198 -1.437 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.570 -13.808 -2.249 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.009 -15.465 -2.727 1.00 0.00 H new ATOM 1231 N PRO A 79 2.487 -12.102 -8.162 1.00 0.00 N ATOM 1232 CA PRO A 79 3.316 -10.952 -8.479 1.00 0.00 C ATOM 1233 C PRO A 79 2.811 -10.243 -9.737 1.00 0.00 C ATOM 1234 O PRO A 79 1.673 -10.448 -10.155 1.00 0.00 O ATOM 1235 CB PRO A 79 4.721 -11.511 -8.635 1.00 0.00 C ATOM 1236 CG PRO A 79 4.552 -13.005 -8.859 1.00 0.00 C ATOM 1237 CD PRO A 79 3.125 -13.374 -8.490 1.00 0.00 C ATOM 0 HA PRO A 79 3.290 -10.187 -7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.235 -11.046 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.321 -11.315 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.755 -13.260 -9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.261 -13.565 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.618 -13.870 -9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.100 -14.060 -7.643 1.00 0.00 H new ATOM 1245 N ALA A 80 3.683 -9.423 -10.306 1.00 0.00 N ATOM 1246 CA ALA A 80 3.341 -8.683 -11.508 1.00 0.00 C ATOM 1247 C ALA A 80 2.461 -7.488 -11.133 1.00 0.00 C ATOM 1248 O ALA A 80 2.810 -6.343 -11.416 1.00 0.00 O ATOM 1249 CB ALA A 80 2.657 -9.619 -12.507 1.00 0.00 C ATOM 0 H ALA A 80 4.626 -9.255 -9.956 1.00 0.00 H new ATOM 0 HA ALA A 80 4.239 -8.294 -11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.400 -9.064 -13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.333 -10.435 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.750 -10.026 -12.061 1.00 0.00 H new ATOM 1255 N GLY A 81 1.338 -7.796 -10.501 1.00 0.00 N ATOM 1256 CA GLY A 81 0.406 -6.762 -10.084 1.00 0.00 C ATOM 1257 C GLY A 81 1.102 -5.718 -9.209 1.00 0.00 C ATOM 1258 O GLY A 81 0.732 -4.545 -9.222 1.00 0.00 O ATOM 0 H GLY A 81 1.052 -8.747 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.023 -6.279 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.419 -7.212 -9.533 1.00 0.00 H new ATOM 1262 N LEU A 82 2.098 -6.182 -8.468 1.00 0.00 N ATOM 1263 CA LEU A 82 2.849 -5.303 -7.588 1.00 0.00 C ATOM 1264 C LEU A 82 3.361 -4.103 -8.388 1.00 0.00 C ATOM 1265 O LEU A 82 2.797 -3.013 -8.308 1.00 0.00 O ATOM 1266 CB LEU A 82 3.954 -6.080 -6.870 1.00 0.00 C ATOM 1267 CG LEU A 82 4.603 -5.375 -5.677 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.920 -5.775 -4.367 1.00 0.00 C ATOM 1269 CD2 LEU A 82 6.110 -5.635 -5.640 1.00 0.00 C ATOM 0 H LEU A 82 2.402 -7.156 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 82 2.205 -4.911 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.540 -7.027 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.733 -6.318 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 82 4.465 -4.301 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.400 -5.260 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.867 -5.498 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.006 -6.852 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.547 -5.123 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.292 -6.706 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.566 -5.262 -6.557 1.00 0.00 H new ATOM 1281 N VAL A 83 4.424 -4.345 -9.142 1.00 0.00 N ATOM 1282 CA VAL A 83 5.018 -3.298 -9.956 1.00 0.00 C ATOM 1283 C VAL A 83 4.038 -2.900 -11.061 1.00 0.00 C ATOM 1284 O VAL A 83 3.607 -1.749 -11.128 1.00 0.00 O ATOM 1285 CB VAL A 83 6.372 -3.761 -10.496 1.00 0.00 C ATOM 1286 CG1 VAL A 83 6.958 -2.730 -11.463 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.346 -4.057 -9.354 1.00 0.00 C ATOM 0 H VAL A 83 4.889 -5.251 -9.206 1.00 0.00 H new ATOM 0 HA VAL A 83 5.209 -2.409 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 83 6.213 -4.687 -11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.921 -3.084 -11.832 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.277 -2.590 -12.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.095 -1.781 -10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.301 -4.384 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.497 -3.155 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.936 -4.843 -8.720 1.00 0.00 H new ATOM 1297 N ALA A 84 3.714 -3.872 -11.900 1.00 0.00 N ATOM 1298 CA ALA A 84 2.793 -3.637 -12.999 1.00 0.00 C ATOM 1299 C ALA A 84 1.655 -2.734 -12.520 1.00 0.00 C ATOM 1300 O ALA A 84 1.139 -1.921 -13.285 1.00 0.00 O ATOM 1301 CB ALA A 84 2.287 -4.977 -13.537 1.00 0.00 C ATOM 0 H ALA A 84 4.073 -4.825 -11.841 1.00 0.00 H new ATOM 0 HA ALA A 84 3.297 -3.126 -13.819 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.596 -4.801 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.131 -5.569 -13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.773 -5.517 -12.742 1.00 0.00 H new ATOM 1307 N GLY A 85 1.296 -2.908 -11.256 1.00 0.00 N ATOM 1308 CA GLY A 85 0.228 -2.118 -10.667 1.00 0.00 C ATOM 1309 C GLY A 85 0.683 -0.679 -10.418 1.00 0.00 C ATOM 1310 O GLY A 85 0.028 0.267 -10.851 1.00 0.00 O ATOM 0 H GLY A 85 1.725 -3.584 -10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.638 -2.120 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.088 -2.571 -9.727 1.00 0.00 H new ATOM 1314 N LEU A 86 1.803 -0.559 -9.720 1.00 0.00 N ATOM 1315 CA LEU A 86 2.354 0.749 -9.408 1.00 0.00 C ATOM 1316 C LEU A 86 2.337 1.618 -10.667 1.00 0.00 C ATOM 1317 O LEU A 86 1.975 2.792 -10.610 1.00 0.00 O ATOM 1318 CB LEU A 86 3.740 0.610 -8.775 1.00 0.00 C ATOM 1319 CG LEU A 86 4.928 0.707 -9.734 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.080 2.130 -10.276 1.00 0.00 C ATOM 1321 CD2 LEU A 86 6.212 0.207 -9.069 1.00 0.00 C ATOM 0 H LEU A 86 2.344 -1.346 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 86 1.739 1.254 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.849 1.382 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.789 -0.351 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 86 4.733 0.057 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.932 2.172 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.174 2.414 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.243 2.819 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.041 0.287 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.425 0.812 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.087 -0.834 -8.773 1.00 0.00 H new ATOM 1333 N SER A 87 2.733 1.008 -11.774 1.00 0.00 N ATOM 1334 CA SER A 87 2.768 1.711 -13.045 1.00 0.00 C ATOM 1335 C SER A 87 1.346 2.045 -13.497 1.00 0.00 C ATOM 1336 O SER A 87 1.019 3.210 -13.721 1.00 0.00 O ATOM 1337 CB SER A 87 3.484 0.882 -14.113 1.00 0.00 C ATOM 1338 OG SER A 87 4.099 1.703 -15.103 1.00 0.00 O ATOM 0 H SER A 87 3.033 0.034 -11.817 1.00 0.00 H new ATOM 0 HA SER A 87 3.326 2.637 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.241 0.257 -13.639 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.770 0.211 -14.591 1.00 0.00 H new ATOM 0 HG SER A 87 4.547 1.137 -15.766 1.00 0.00 H new ATOM 1344 N LEU A 88 0.537 1.003 -13.619 1.00 0.00 N ATOM 1345 CA LEU A 88 -0.843 1.171 -14.040 1.00 0.00 C ATOM 1346 C LEU A 88 -1.473 2.327 -13.260 1.00 0.00 C ATOM 1347 O LEU A 88 -2.416 2.959 -13.733 1.00 0.00 O ATOM 1348 CB LEU A 88 -1.608 -0.147 -13.910 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.077 -0.783 -15.221 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -3.045 0.140 -15.963 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -0.885 -1.184 -16.093 1.00 0.00 C ATOM 0 H LEU A 88 0.811 0.038 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.889 1.436 -15.096 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.973 -0.863 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.481 0.023 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.623 -1.696 -14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.363 -0.336 -16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.916 0.332 -15.337 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.547 1.082 -16.191 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.246 -1.633 -17.018 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.291 -0.300 -16.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.268 -1.905 -15.556 1.00 0.00 H new ATOM 1363 N MET A 89 -0.926 2.568 -12.078 1.00 0.00 N ATOM 1364 CA MET A 89 -1.422 3.637 -11.228 1.00 0.00 C ATOM 1365 C MET A 89 -0.897 4.997 -11.693 1.00 0.00 C ATOM 1366 O MET A 89 -1.674 5.863 -12.092 1.00 0.00 O ATOM 1367 CB MET A 89 -0.983 3.386 -9.784 1.00 0.00 C ATOM 1368 CG MET A 89 -1.676 4.355 -8.824 1.00 0.00 C ATOM 1369 SD MET A 89 -0.461 5.211 -7.836 1.00 0.00 S ATOM 1370 CE MET A 89 0.069 6.452 -9.005 1.00 0.00 C ATOM 0 H MET A 89 -0.144 2.041 -11.689 1.00 0.00 H new ATOM 0 HA MET A 89 -2.510 3.649 -11.290 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.217 2.359 -9.502 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.098 3.500 -9.704 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.271 5.074 -9.387 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.363 3.810 -8.177 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.263 7.387 -8.480 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.981 6.119 -9.501 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.712 6.609 -9.749 1.00 0.00 H new ATOM 1380 N MET A 90 0.419 5.141 -11.626 1.00 0.00 N ATOM 1381 CA MET A 90 1.057 6.381 -12.035 1.00 0.00 C ATOM 1382 C MET A 90 0.496 6.871 -13.372 1.00 0.00 C ATOM 1383 O MET A 90 0.519 8.067 -13.658 1.00 0.00 O ATOM 1384 CB MET A 90 2.565 6.160 -12.163 1.00 0.00 C ATOM 1385 CG MET A 90 2.930 5.666 -13.565 1.00 0.00 C ATOM 1386 SD MET A 90 3.262 7.055 -14.635 1.00 0.00 S ATOM 1387 CE MET A 90 2.840 6.338 -16.214 1.00 0.00 C ATOM 0 H MET A 90 1.060 4.420 -11.295 1.00 0.00 H new ATOM 0 HA MET A 90 0.855 7.139 -11.279 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.092 7.091 -11.953 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.894 5.433 -11.420 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.805 5.018 -13.515 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.114 5.069 -13.973 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.671 6.469 -16.907 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.637 5.275 -16.088 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.954 6.832 -16.613 1.00 0.00 H new ATOM 1397 N ILE A 91 0.006 5.921 -14.155 1.00 0.00 N ATOM 1398 CA ILE A 91 -0.559 6.241 -15.455 1.00 0.00 C ATOM 1399 C ILE A 91 -2.053 6.535 -15.298 1.00 0.00 C ATOM 1400 O ILE A 91 -2.573 7.467 -15.909 1.00 0.00 O ATOM 1401 CB ILE A 91 -0.253 5.130 -16.460 1.00 0.00 C ATOM 1402 CG1 ILE A 91 -0.359 5.645 -17.897 1.00 0.00 C ATOM 1403 CG2 ILE A 91 -1.148 3.912 -16.221 1.00 0.00 C ATOM 1404 CD1 ILE A 91 1.013 5.670 -18.573 1.00 0.00 C ATOM 0 H ILE A 91 -0.011 4.930 -13.914 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.097 7.141 -15.860 1.00 0.00 H new ATOM 0 HB ILE A 91 0.777 4.808 -16.308 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.037 5.009 -18.466 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.787 6.648 -17.897 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.910 3.137 -16.949 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.980 3.529 -15.215 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.193 4.202 -16.329 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.909 6.040 -19.593 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.681 6.326 -18.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.427 4.662 -18.593 1.00 0.00 H new ATOM 1416 N LEU A 92 -2.700 5.722 -14.477 1.00 0.00 N ATOM 1417 CA LEU A 92 -4.123 5.883 -14.232 1.00 0.00 C ATOM 1418 C LEU A 92 -4.393 7.304 -13.734 1.00 0.00 C ATOM 1419 O LEU A 92 -5.498 7.822 -13.892 1.00 0.00 O ATOM 1420 CB LEU A 92 -4.631 4.793 -13.287 1.00 0.00 C ATOM 1421 CG LEU A 92 -5.666 5.233 -12.249 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -6.360 4.024 -11.620 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -5.032 6.144 -11.195 1.00 0.00 C ATOM 0 H LEU A 92 -2.265 4.949 -13.973 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.685 5.757 -15.157 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.065 3.993 -13.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.776 4.369 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.434 5.816 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.090 4.365 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.866 3.450 -12.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.619 3.394 -11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.789 6.442 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.232 5.608 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.624 7.031 -11.679 1.00 0.00 H new ATOM 1435 N ARG A 93 -3.365 7.895 -13.142 1.00 0.00 N ATOM 1436 CA ARG A 93 -3.478 9.246 -12.619 1.00 0.00 C ATOM 1437 C ARG A 93 -2.904 10.251 -13.620 1.00 0.00 C ATOM 1438 O ARG A 93 -3.553 11.242 -13.951 1.00 0.00 O ATOM 1439 CB ARG A 93 -2.739 9.384 -11.287 1.00 0.00 C ATOM 1440 CG ARG A 93 -3.720 9.379 -10.113 1.00 0.00 C ATOM 1441 CD ARG A 93 -3.338 10.437 -9.075 1.00 0.00 C ATOM 1442 NE ARG A 93 -4.536 10.854 -8.313 1.00 0.00 N ATOM 1443 CZ ARG A 93 -4.614 11.980 -7.592 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.563 12.809 -7.530 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -5.741 12.278 -6.932 1.00 0.00 N ATOM 0 H ARG A 93 -2.450 7.463 -13.013 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.536 9.453 -12.457 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.028 8.565 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.163 10.309 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.730 9.569 -10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.730 8.394 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.586 10.037 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.893 11.300 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.354 10.245 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.704 12.582 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.622 13.667 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.541 11.647 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.799 13.136 -6.383 1.00 0.00 H new ATOM 1459 N LEU A 94 -1.693 9.962 -14.073 1.00 0.00 N ATOM 1460 CA LEU A 94 -1.025 10.828 -15.028 1.00 0.00 C ATOM 1461 C LEU A 94 -1.956 11.086 -16.215 1.00 0.00 C ATOM 1462 O LEU A 94 -1.798 12.075 -16.929 1.00 0.00 O ATOM 1463 CB LEU A 94 0.331 10.241 -15.427 1.00 0.00 C ATOM 1464 CG LEU A 94 1.184 11.099 -16.364 1.00 0.00 C ATOM 1465 CD1 LEU A 94 2.675 10.857 -16.123 1.00 0.00 C ATOM 1466 CD2 LEU A 94 0.795 10.869 -17.825 1.00 0.00 C ATOM 0 H LEU A 94 -1.157 9.140 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.807 11.796 -14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.903 10.051 -14.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.161 9.276 -15.905 1.00 0.00 H new ATOM 0 HG LEU A 94 0.987 12.148 -16.140 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.259 11.479 -16.802 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.923 11.112 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.907 9.807 -16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.417 11.491 -18.469 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.944 9.820 -18.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.253 11.132 -17.968 1.00 0.00 H new ATOM 1478 N VAL A 95 -2.907 10.179 -16.388 1.00 0.00 N ATOM 1479 CA VAL A 95 -3.863 10.296 -17.475 1.00 0.00 C ATOM 1480 C VAL A 95 -4.741 11.529 -17.246 1.00 0.00 C ATOM 1481 O VAL A 95 -4.695 12.481 -18.024 1.00 0.00 O ATOM 1482 CB VAL A 95 -4.671 9.003 -17.603 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -6.063 9.280 -18.173 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.925 7.973 -18.454 1.00 0.00 C ATOM 0 H VAL A 95 -3.035 9.360 -15.793 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.346 10.436 -18.424 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.796 8.586 -16.604 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.616 8.344 -18.254 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.598 9.962 -17.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.969 9.732 -19.160 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.521 7.063 -18.529 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.755 8.379 -19.451 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.967 7.742 -17.989 1.00 0.00 H new ATOM 1494 N LEU A 96 -5.519 11.471 -16.175 1.00 0.00 N ATOM 1495 CA LEU A 96 -6.405 12.571 -15.834 1.00 0.00 C ATOM 1496 C LEU A 96 -5.574 13.754 -15.336 1.00 0.00 C ATOM 1497 O LEU A 96 -5.814 14.895 -15.727 1.00 0.00 O ATOM 1498 CB LEU A 96 -7.475 12.109 -14.842 1.00 0.00 C ATOM 1499 CG LEU A 96 -6.968 11.345 -13.617 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -7.357 12.063 -12.324 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -7.455 9.894 -13.636 1.00 0.00 C ATOM 0 H LEU A 96 -5.554 10.680 -15.532 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.947 12.911 -16.716 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.025 12.985 -14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.185 11.475 -15.373 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.879 11.320 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.985 11.499 -11.469 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.921 13.062 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.443 12.140 -12.263 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.081 9.373 -12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.545 9.876 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.087 9.398 -14.534 1.00 0.00 H new ATOM 1513 N LEU A 97 -4.613 13.442 -14.479 1.00 0.00 N ATOM 1514 CA LEU A 97 -3.745 14.466 -13.922 1.00 0.00 C ATOM 1515 C LEU A 97 -4.563 15.730 -13.652 1.00 0.00 C ATOM 1516 O LEU A 97 -4.045 16.842 -13.752 1.00 0.00 O ATOM 1517 CB LEU A 97 -2.537 14.698 -14.833 1.00 0.00 C ATOM 1518 CG LEU A 97 -2.629 15.899 -15.776 1.00 0.00 C ATOM 1519 CD1 LEU A 97 -1.907 17.113 -15.189 1.00 0.00 C ATOM 1520 CD2 LEU A 97 -2.111 15.542 -17.171 1.00 0.00 C ATOM 0 H LEU A 97 -4.416 12.495 -14.157 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.336 14.140 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.653 14.820 -14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.382 13.801 -15.433 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.679 16.170 -15.883 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.987 17.953 -15.879 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.363 17.381 -14.236 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.856 16.871 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.188 16.413 -17.822 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.069 15.230 -17.103 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.707 14.728 -17.583 1.00 0.00 H new ATOM 1532 N LEU A 98 -5.826 15.518 -13.314 1.00 0.00 N ATOM 1533 CA LEU A 98 -6.721 16.627 -13.028 1.00 0.00 C ATOM 1534 C LEU A 98 -6.945 16.720 -11.518 1.00 0.00 C ATOM 1535 O LEU A 98 -7.048 17.816 -10.968 1.00 0.00 O ATOM 1536 CB LEU A 98 -8.014 16.494 -13.835 1.00 0.00 C ATOM 1537 CG LEU A 98 -9.147 15.717 -13.161 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -9.927 16.612 -12.196 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -10.059 15.064 -14.202 1.00 0.00 C ATOM 0 H LEU A 98 -6.251 14.595 -13.232 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.272 17.569 -13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.376 17.495 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.780 16.008 -14.782 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.706 14.914 -12.570 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.726 16.035 -11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.255 16.989 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.356 17.451 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.856 14.518 -13.697 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.494 15.834 -14.839 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.478 14.374 -14.813 1.00 0.00 H new ATOM 1551 N LEU A 99 -7.012 15.556 -10.889 1.00 0.00 N ATOM 1552 CA LEU A 99 -7.222 15.492 -9.453 1.00 0.00 C ATOM 1553 C LEU A 99 -5.992 16.053 -8.736 1.00 0.00 C ATOM 1554 O LEU A 99 -6.120 16.772 -7.747 1.00 0.00 O ATOM 1555 CB LEU A 99 -7.585 14.068 -9.027 1.00 0.00 C ATOM 1556 CG LEU A 99 -9.037 13.846 -8.595 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -9.353 12.354 -8.480 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -9.344 14.599 -7.299 1.00 0.00 C ATOM 0 H LEU A 99 -6.924 14.649 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.071 16.113 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.367 13.395 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.933 13.779 -8.202 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.689 14.254 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.390 12.225 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.199 11.874 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.695 11.899 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.382 14.425 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.685 14.243 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.184 15.666 -7.452 1.00 0.00 H new TER 1570 LEU A 99