USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 63 ASN : amide:sc= -2.12 X(o=-1.5,f=-1.8) USER MOD Set 1.2: A 82 SER OG : rot -152:sc= 0.57 USER MOD Set 2.1: A 38 TYR OH : rot 150:sc= -1.79! USER MOD Set 2.2: A 58 GLN : amide:sc= -5.85! C(o=-7.6!,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 1.09 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-5.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.46) USER MOD Single : A 40 SER OG : rot 180:sc= -1.18 USER MOD Single : A 46 SER OG : rot -103:sc= 0.851 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 72 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-9.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.923 -22.625 -16.669 1.00 0.00 N ATOM 2 CA GLY A 1 17.569 -21.741 -15.713 1.00 0.00 C ATOM 3 C GLY A 1 16.535 -21.026 -14.842 1.00 0.00 C ATOM 4 O GLY A 1 15.909 -20.062 -15.281 1.00 0.00 O ATOM 0 H1 GLY A 1 17.646 -23.098 -17.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.365 -23.340 -16.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.295 -22.071 -17.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.247 -22.315 -15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.174 -21.006 -16.243 1.00 0.00 H new ATOM 8 N SER A 2 16.388 -21.525 -13.624 1.00 0.00 N ATOM 9 CA SER A 2 15.440 -20.945 -12.687 1.00 0.00 C ATOM 10 C SER A 2 16.188 -20.222 -11.565 1.00 0.00 C ATOM 11 O SER A 2 16.957 -20.839 -10.829 1.00 0.00 O ATOM 12 CB SER A 2 14.516 -22.016 -12.105 1.00 0.00 C ATOM 13 OG SER A 2 13.217 -21.504 -11.821 1.00 0.00 O ATOM 0 H SER A 2 16.909 -22.324 -13.264 1.00 0.00 H new ATOM 0 HA SER A 2 14.823 -20.225 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.433 -22.844 -12.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.956 -22.416 -11.191 1.00 0.00 H new ATOM 0 HG SER A 2 12.657 -22.219 -11.453 1.00 0.00 H new ATOM 19 N SER A 3 15.937 -18.925 -11.470 1.00 0.00 N ATOM 20 CA SER A 3 16.578 -18.112 -10.450 1.00 0.00 C ATOM 21 C SER A 3 16.005 -16.693 -10.477 1.00 0.00 C ATOM 22 O SER A 3 16.355 -15.895 -11.345 1.00 0.00 O ATOM 23 CB SER A 3 18.094 -18.076 -10.647 1.00 0.00 C ATOM 24 OG SER A 3 18.461 -17.420 -11.858 1.00 0.00 O ATOM 0 H SER A 3 15.299 -18.417 -12.082 1.00 0.00 H new ATOM 0 HA SER A 3 16.376 -18.561 -9.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.557 -17.564 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.483 -19.094 -10.654 1.00 0.00 H new ATOM 0 HG SER A 3 17.850 -16.672 -12.023 1.00 0.00 H new ATOM 30 N GLY A 4 15.135 -16.422 -9.515 1.00 0.00 N ATOM 31 CA GLY A 4 14.511 -15.113 -9.417 1.00 0.00 C ATOM 32 C GLY A 4 13.051 -15.234 -8.976 1.00 0.00 C ATOM 33 O GLY A 4 12.288 -16.011 -9.547 1.00 0.00 O ATOM 0 H GLY A 4 14.847 -17.086 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.060 -14.497 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.563 -14.608 -10.382 1.00 0.00 H new ATOM 37 N SER A 5 12.707 -14.453 -7.963 1.00 0.00 N ATOM 38 CA SER A 5 11.352 -14.462 -7.438 1.00 0.00 C ATOM 39 C SER A 5 11.261 -13.556 -6.208 1.00 0.00 C ATOM 40 O SER A 5 12.281 -13.161 -5.647 1.00 0.00 O ATOM 41 CB SER A 5 10.907 -15.883 -7.085 1.00 0.00 C ATOM 42 OG SER A 5 9.660 -16.217 -7.687 1.00 0.00 O ATOM 0 H SER A 5 13.343 -13.810 -7.492 1.00 0.00 H new ATOM 0 HA SER A 5 10.684 -14.083 -8.211 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.668 -16.592 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.824 -15.978 -6.002 1.00 0.00 H new ATOM 0 HG SER A 5 9.412 -17.132 -7.439 1.00 0.00 H new ATOM 48 N SER A 6 10.029 -13.254 -5.825 1.00 0.00 N ATOM 49 CA SER A 6 9.791 -12.403 -4.671 1.00 0.00 C ATOM 50 C SER A 6 10.143 -10.953 -5.010 1.00 0.00 C ATOM 51 O SER A 6 11.171 -10.689 -5.633 1.00 0.00 O ATOM 52 CB SER A 6 10.600 -12.876 -3.462 1.00 0.00 C ATOM 53 OG SER A 6 9.766 -13.167 -2.343 1.00 0.00 O ATOM 0 H SER A 6 9.185 -13.583 -6.293 1.00 0.00 H new ATOM 0 HA SER A 6 8.734 -12.464 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.169 -13.766 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.322 -12.108 -3.186 1.00 0.00 H new ATOM 0 HG SER A 6 10.319 -13.467 -1.592 1.00 0.00 H new ATOM 59 N GLY A 7 9.270 -10.051 -4.586 1.00 0.00 N ATOM 60 CA GLY A 7 9.475 -8.635 -4.837 1.00 0.00 C ATOM 61 C GLY A 7 8.505 -8.120 -5.902 1.00 0.00 C ATOM 62 O GLY A 7 8.744 -8.289 -7.097 1.00 0.00 O ATOM 0 H GLY A 7 8.419 -10.274 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.336 -8.075 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.501 -8.465 -5.162 1.00 0.00 H new ATOM 66 N GLU A 8 7.431 -7.504 -5.431 1.00 0.00 N ATOM 67 CA GLU A 8 6.424 -6.963 -6.329 1.00 0.00 C ATOM 68 C GLU A 8 6.022 -5.554 -5.889 1.00 0.00 C ATOM 69 O GLU A 8 5.513 -5.366 -4.785 1.00 0.00 O ATOM 70 CB GLU A 8 5.205 -7.884 -6.401 1.00 0.00 C ATOM 71 CG GLU A 8 5.037 -8.463 -7.808 1.00 0.00 C ATOM 72 CD GLU A 8 3.728 -9.245 -7.927 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.666 -8.590 -7.851 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.819 -10.481 -8.091 1.00 0.00 O ATOM 0 H GLU A 8 7.236 -7.367 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 8 6.852 -6.901 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.314 -8.695 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.309 -7.329 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.051 -7.656 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.878 -9.117 -8.039 1.00 0.00 H new ATOM 81 N VAL A 9 6.266 -4.600 -6.775 1.00 0.00 N ATOM 82 CA VAL A 9 5.935 -3.214 -6.492 1.00 0.00 C ATOM 83 C VAL A 9 4.861 -2.740 -7.472 1.00 0.00 C ATOM 84 O VAL A 9 4.652 -3.356 -8.516 1.00 0.00 O ATOM 85 CB VAL A 9 7.201 -2.355 -6.532 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.857 -0.881 -6.749 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.031 -2.543 -5.260 1.00 0.00 C ATOM 0 H VAL A 9 6.689 -4.759 -7.689 1.00 0.00 H new ATOM 0 HA VAL A 9 5.524 -3.117 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 9 7.804 -2.686 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.774 -0.293 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.327 -0.766 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.224 -0.531 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.925 -1.922 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.438 -2.252 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.322 -3.589 -5.166 1.00 0.00 H new ATOM 97 N ARG A 10 4.206 -1.649 -7.102 1.00 0.00 N ATOM 98 CA ARG A 10 3.158 -1.085 -7.935 1.00 0.00 C ATOM 99 C ARG A 10 3.221 0.443 -7.906 1.00 0.00 C ATOM 100 O ARG A 10 3.558 1.035 -6.881 1.00 0.00 O ATOM 101 CB ARG A 10 1.776 -1.541 -7.466 1.00 0.00 C ATOM 102 CG ARG A 10 1.668 -1.484 -5.940 1.00 0.00 C ATOM 103 CD ARG A 10 1.393 -2.871 -5.358 1.00 0.00 C ATOM 104 NE ARG A 10 2.354 -3.852 -5.911 1.00 0.00 N ATOM 105 CZ ARG A 10 2.072 -4.697 -6.912 1.00 0.00 C ATOM 106 NH1 ARG A 10 0.857 -4.687 -7.475 1.00 0.00 N ATOM 107 NH2 ARG A 10 3.006 -5.553 -7.349 1.00 0.00 N ATOM 0 H ARG A 10 4.381 -1.140 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 10 3.318 -1.439 -8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.009 -0.908 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.589 -2.558 -7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.592 -1.087 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.869 -0.801 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.476 -2.841 -4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.373 -3.177 -5.592 1.00 0.00 H new ATOM 0 HE ARG A 10 3.289 -3.887 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.146 -4.036 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.643 -5.330 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.931 -5.561 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.792 -6.196 -8.111 1.00 0.00 H new ATOM 121 N LEU A 11 2.892 1.040 -9.042 1.00 0.00 N ATOM 122 CA LEU A 11 2.907 2.488 -9.160 1.00 0.00 C ATOM 123 C LEU A 11 1.490 3.026 -8.953 1.00 0.00 C ATOM 124 O LEU A 11 0.656 2.952 -9.854 1.00 0.00 O ATOM 125 CB LEU A 11 3.538 2.911 -10.487 1.00 0.00 C ATOM 126 CG LEU A 11 4.425 1.869 -11.171 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.332 1.170 -10.156 1.00 0.00 C ATOM 128 CD2 LEU A 11 3.584 0.872 -11.969 1.00 0.00 C ATOM 0 H LEU A 11 2.613 0.546 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 11 3.532 2.928 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.739 3.186 -11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.133 3.808 -10.314 1.00 0.00 H new ATOM 0 HG LEU A 11 5.072 2.385 -11.880 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.952 0.434 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.971 1.908 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.720 0.669 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.239 0.142 -12.445 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.895 0.358 -11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.017 1.404 -12.733 1.00 0.00 H new ATOM 140 N VAL A 12 1.261 3.557 -7.761 1.00 0.00 N ATOM 141 CA VAL A 12 -0.041 4.108 -7.425 1.00 0.00 C ATOM 142 C VAL A 12 -0.043 5.611 -7.709 1.00 0.00 C ATOM 143 O VAL A 12 0.986 6.272 -7.581 1.00 0.00 O ATOM 144 CB VAL A 12 -0.392 3.774 -5.973 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.614 4.568 -5.508 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.614 2.270 -5.795 1.00 0.00 C ATOM 0 H VAL A 12 1.955 3.617 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.817 3.659 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 12 0.453 4.064 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.842 4.312 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.403 5.635 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.468 4.323 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.862 2.059 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.433 1.945 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.295 1.733 -6.067 1.00 0.00 H new ATOM 156 N SER A 13 -1.211 6.107 -8.090 1.00 0.00 N ATOM 157 CA SER A 13 -1.361 7.520 -8.394 1.00 0.00 C ATOM 158 C SER A 13 -2.542 8.101 -7.615 1.00 0.00 C ATOM 159 O SER A 13 -3.654 7.580 -7.686 1.00 0.00 O ATOM 160 CB SER A 13 -1.554 7.743 -9.895 1.00 0.00 C ATOM 161 OG SER A 13 -0.790 6.827 -10.674 1.00 0.00 O ATOM 0 H SER A 13 -2.063 5.555 -8.195 1.00 0.00 H new ATOM 0 HA SER A 13 -0.448 8.033 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.610 7.638 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.266 8.763 -10.150 1.00 0.00 H new ATOM 0 HG SER A 13 -0.942 7.001 -11.626 1.00 0.00 H new ATOM 167 N LEU A 14 -2.260 9.173 -6.888 1.00 0.00 N ATOM 168 CA LEU A 14 -3.286 9.830 -6.096 1.00 0.00 C ATOM 169 C LEU A 14 -3.484 11.257 -6.609 1.00 0.00 C ATOM 170 O LEU A 14 -2.674 11.759 -7.387 1.00 0.00 O ATOM 171 CB LEU A 14 -2.943 9.754 -4.606 1.00 0.00 C ATOM 172 CG LEU A 14 -3.427 8.504 -3.869 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.925 8.282 -4.090 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.602 7.279 -4.268 1.00 0.00 C ATOM 0 H LEU A 14 -1.337 9.602 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.241 9.316 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.860 9.818 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.364 10.629 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.279 8.659 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.243 7.387 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.479 9.143 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.121 8.157 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.966 6.404 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.696 7.111 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.555 7.448 -4.018 1.00 0.00 H new ATOM 186 N ARG A 15 -4.567 11.871 -6.154 1.00 0.00 N ATOM 187 CA ARG A 15 -4.881 13.231 -6.557 1.00 0.00 C ATOM 188 C ARG A 15 -3.941 14.221 -5.867 1.00 0.00 C ATOM 189 O ARG A 15 -3.364 13.911 -4.826 1.00 0.00 O ATOM 190 CB ARG A 15 -6.329 13.587 -6.211 1.00 0.00 C ATOM 191 CG ARG A 15 -6.948 14.475 -7.292 1.00 0.00 C ATOM 192 CD ARG A 15 -8.147 13.786 -7.947 1.00 0.00 C ATOM 193 NE ARG A 15 -9.284 14.728 -8.040 1.00 0.00 N ATOM 194 CZ ARG A 15 -9.371 15.715 -8.943 1.00 0.00 C ATOM 195 NH1 ARG A 15 -8.388 15.893 -9.836 1.00 0.00 N ATOM 196 NH2 ARG A 15 -10.440 16.522 -8.953 1.00 0.00 N ATOM 0 H ARG A 15 -5.238 11.451 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.751 13.295 -7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.916 12.675 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.361 14.101 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.263 15.422 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.199 14.708 -8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.875 13.432 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.436 12.911 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.050 14.620 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.574 15.278 -9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.453 16.644 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.188 16.386 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.506 17.273 -9.640 1.00 0.00 H new ATOM 210 N ARG A 16 -3.816 15.392 -6.475 1.00 0.00 N ATOM 211 CA ARG A 16 -2.956 16.429 -5.931 1.00 0.00 C ATOM 212 C ARG A 16 -3.272 16.660 -4.452 1.00 0.00 C ATOM 213 O ARG A 16 -4.183 16.041 -3.905 1.00 0.00 O ATOM 214 CB ARG A 16 -3.129 17.744 -6.695 1.00 0.00 C ATOM 215 CG ARG A 16 -1.773 18.319 -7.110 1.00 0.00 C ATOM 216 CD ARG A 16 -1.901 19.790 -7.509 1.00 0.00 C ATOM 217 NE ARG A 16 -0.567 20.345 -7.831 1.00 0.00 N ATOM 218 CZ ARG A 16 -0.283 21.654 -7.849 1.00 0.00 C ATOM 219 NH1 ARG A 16 -1.237 22.551 -7.563 1.00 0.00 N ATOM 220 NH2 ARG A 16 0.956 22.067 -8.152 1.00 0.00 N ATOM 0 H ARG A 16 -4.296 15.645 -7.339 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.924 16.094 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.743 17.577 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.658 18.464 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.065 18.222 -6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.371 17.746 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.561 19.885 -8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.354 20.358 -6.696 1.00 0.00 H new ATOM 0 HE ARG A 16 0.183 19.690 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.179 22.237 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.021 23.548 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.682 21.384 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.172 23.064 -8.166 1.00 0.00 H new ATOM 234 N ALA A 17 -2.502 17.553 -3.848 1.00 0.00 N ATOM 235 CA ALA A 17 -2.689 17.874 -2.443 1.00 0.00 C ATOM 236 C ALA A 17 -2.726 19.394 -2.272 1.00 0.00 C ATOM 237 O ALA A 17 -1.992 20.116 -2.945 1.00 0.00 O ATOM 238 CB ALA A 17 -1.578 17.221 -1.618 1.00 0.00 C ATOM 0 H ALA A 17 -1.747 18.064 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.638 17.479 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.718 17.462 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.614 16.140 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.610 17.596 -1.950 1.00 0.00 H new ATOM 244 N LYS A 18 -3.589 19.835 -1.368 1.00 0.00 N ATOM 245 CA LYS A 18 -3.731 21.256 -1.100 1.00 0.00 C ATOM 246 C LYS A 18 -4.572 21.450 0.162 1.00 0.00 C ATOM 247 O LYS A 18 -5.539 22.212 0.158 1.00 0.00 O ATOM 248 CB LYS A 18 -4.288 21.979 -2.328 1.00 0.00 C ATOM 249 CG LYS A 18 -5.624 21.374 -2.762 1.00 0.00 C ATOM 250 CD LYS A 18 -5.494 20.670 -4.114 1.00 0.00 C ATOM 251 CE LYS A 18 -6.856 20.541 -4.799 1.00 0.00 C ATOM 252 NZ LYS A 18 -6.803 21.103 -6.167 1.00 0.00 N ATOM 0 H LYS A 18 -4.197 19.233 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.758 21.707 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.420 23.037 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.572 21.915 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.967 20.664 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.378 22.158 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.812 21.229 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.059 19.681 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.151 19.492 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.614 21.062 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.735 21.008 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.543 22.109 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.093 20.588 -6.727 1.00 0.00 H new ATOM 266 N ALA A 19 -4.175 20.749 1.214 1.00 0.00 N ATOM 267 CA ALA A 19 -4.880 20.835 2.481 1.00 0.00 C ATOM 268 C ALA A 19 -6.378 20.634 2.241 1.00 0.00 C ATOM 269 O ALA A 19 -7.204 21.317 2.844 1.00 0.00 O ATOM 270 CB ALA A 19 -4.572 22.178 3.147 1.00 0.00 C ATOM 0 H ALA A 19 -3.373 20.118 1.214 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.546 20.050 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.101 22.242 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.499 22.260 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.896 22.990 2.496 1.00 0.00 H new ATOM 276 N HIS A 20 -6.682 19.693 1.359 1.00 0.00 N ATOM 277 CA HIS A 20 -8.065 19.393 1.032 1.00 0.00 C ATOM 278 C HIS A 20 -8.356 17.921 1.331 1.00 0.00 C ATOM 279 O HIS A 20 -9.357 17.599 1.969 1.00 0.00 O ATOM 280 CB HIS A 20 -8.376 19.776 -0.416 1.00 0.00 C ATOM 281 CG HIS A 20 -8.115 18.673 -1.413 1.00 0.00 C ATOM 282 ND1 HIS A 20 -6.843 18.327 -1.832 1.00 0.00 N ATOM 283 CD2 HIS A 20 -8.976 17.842 -2.069 1.00 0.00 C ATOM 284 CE1 HIS A 20 -6.944 17.332 -2.701 1.00 0.00 C ATOM 285 NE2 HIS A 20 -8.267 17.033 -2.847 1.00 0.00 N ATOM 0 H HIS A 20 -5.994 19.128 0.861 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.728 19.992 1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.422 20.074 -0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.778 20.646 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.052 17.842 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.123 16.844 -3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.649 16.307 -3.454 1.00 0.00 H new ATOM 293 N GLU A 21 -7.462 17.066 0.855 1.00 0.00 N ATOM 294 CA GLU A 21 -7.609 15.635 1.064 1.00 0.00 C ATOM 295 C GLU A 21 -6.273 15.019 1.480 1.00 0.00 C ATOM 296 O GLU A 21 -6.154 14.464 2.572 1.00 0.00 O ATOM 297 CB GLU A 21 -8.161 14.953 -0.189 1.00 0.00 C ATOM 298 CG GLU A 21 -9.626 14.556 0.003 1.00 0.00 C ATOM 299 CD GLU A 21 -10.056 13.522 -1.041 1.00 0.00 C ATOM 300 OE1 GLU A 21 -9.510 12.399 -0.985 1.00 0.00 O ATOM 301 OE2 GLU A 21 -10.920 13.879 -1.871 1.00 0.00 O ATOM 0 H GLU A 21 -6.633 17.337 0.325 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.326 15.477 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.072 15.625 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.567 14.068 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.768 14.148 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.259 15.440 -0.073 1.00 0.00 H new ATOM 308 N GLY A 22 -5.300 15.136 0.588 1.00 0.00 N ATOM 309 CA GLY A 22 -3.976 14.598 0.850 1.00 0.00 C ATOM 310 C GLY A 22 -3.846 13.173 0.305 1.00 0.00 C ATOM 311 O GLY A 22 -3.558 12.242 1.056 1.00 0.00 O ATOM 0 H GLY A 22 -5.402 15.595 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.222 15.237 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.784 14.600 1.923 1.00 0.00 H new ATOM 315 N LEU A 23 -4.067 13.049 -0.995 1.00 0.00 N ATOM 316 CA LEU A 23 -3.978 11.754 -1.648 1.00 0.00 C ATOM 317 C LEU A 23 -5.133 10.869 -1.176 1.00 0.00 C ATOM 318 O LEU A 23 -5.967 10.449 -1.977 1.00 0.00 O ATOM 319 CB LEU A 23 -2.597 11.134 -1.425 1.00 0.00 C ATOM 320 CG LEU A 23 -1.475 12.109 -1.064 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.111 11.417 -1.109 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.518 13.350 -1.958 1.00 0.00 C ATOM 0 H LEU A 23 -4.307 13.823 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.081 11.864 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.677 10.393 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.310 10.600 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.632 12.445 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.669 12.133 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.098 10.591 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.069 11.034 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.710 14.027 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.400 13.052 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.475 13.857 -1.832 1.00 0.00 H new ATOM 334 N GLY A 24 -5.146 10.612 0.124 1.00 0.00 N ATOM 335 CA GLY A 24 -6.185 9.785 0.713 1.00 0.00 C ATOM 336 C GLY A 24 -5.590 8.772 1.693 1.00 0.00 C ATOM 337 O GLY A 24 -6.323 8.097 2.415 1.00 0.00 O ATOM 0 H GLY A 24 -4.453 10.962 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.907 10.416 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.727 9.260 -0.074 1.00 0.00 H new ATOM 341 N PHE A 25 -4.267 8.698 1.688 1.00 0.00 N ATOM 342 CA PHE A 25 -3.566 7.780 2.568 1.00 0.00 C ATOM 343 C PHE A 25 -2.466 8.502 3.350 1.00 0.00 C ATOM 344 O PHE A 25 -1.683 9.255 2.775 1.00 0.00 O ATOM 345 CB PHE A 25 -2.925 6.711 1.681 1.00 0.00 C ATOM 346 CG PHE A 25 -1.754 7.221 0.839 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.492 7.200 1.347 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.974 7.695 -0.416 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.595 7.673 0.566 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.886 8.168 -1.197 1.00 0.00 C ATOM 351 CZ PHE A 25 0.375 8.147 -0.690 1.00 0.00 C ATOM 0 H PHE A 25 -3.662 9.259 1.088 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.263 7.349 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.577 5.892 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.686 6.301 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.317 6.824 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.976 7.712 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.597 7.657 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.061 8.544 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.202 8.507 -1.284 1.00 0.00 H new ATOM 361 N SER A 26 -2.443 8.245 4.650 1.00 0.00 N ATOM 362 CA SER A 26 -1.453 8.861 5.517 1.00 0.00 C ATOM 363 C SER A 26 -0.202 7.984 5.589 1.00 0.00 C ATOM 364 O SER A 26 -0.300 6.758 5.627 1.00 0.00 O ATOM 365 CB SER A 26 -2.018 9.095 6.920 1.00 0.00 C ATOM 366 OG SER A 26 -2.074 10.480 7.249 1.00 0.00 O ATOM 0 H SER A 26 -3.094 7.619 5.124 1.00 0.00 H new ATOM 0 HA SER A 26 -1.186 9.830 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.018 8.667 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.400 8.573 7.651 1.00 0.00 H new ATOM 0 HG SER A 26 -2.442 10.587 8.151 1.00 0.00 H new ATOM 372 N ILE A 27 0.946 8.645 5.604 1.00 0.00 N ATOM 373 CA ILE A 27 2.215 7.941 5.670 1.00 0.00 C ATOM 374 C ILE A 27 2.837 8.148 7.053 1.00 0.00 C ATOM 375 O ILE A 27 2.478 9.084 7.765 1.00 0.00 O ATOM 376 CB ILE A 27 3.125 8.367 4.517 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.568 9.823 4.677 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.451 8.118 3.166 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.029 10.000 4.258 1.00 0.00 C ATOM 0 H ILE A 27 1.024 9.662 5.572 1.00 0.00 H new ATOM 0 HA ILE A 27 2.062 6.869 5.546 1.00 0.00 H new ATOM 0 HB ILE A 27 4.024 7.752 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.932 10.469 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.443 10.133 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.119 8.430 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.228 7.056 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.525 8.691 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.319 11.043 4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.665 9.371 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.145 9.712 3.213 1.00 0.00 H new ATOM 391 N ARG A 28 3.758 7.258 7.391 1.00 0.00 N ATOM 392 CA ARG A 28 4.433 7.331 8.676 1.00 0.00 C ATOM 393 C ARG A 28 5.882 6.859 8.542 1.00 0.00 C ATOM 394 O ARG A 28 6.296 6.408 7.474 1.00 0.00 O ATOM 395 CB ARG A 28 3.719 6.474 9.723 1.00 0.00 C ATOM 396 CG ARG A 28 3.763 4.993 9.341 1.00 0.00 C ATOM 397 CD ARG A 28 3.972 4.114 10.576 1.00 0.00 C ATOM 398 NE ARG A 28 4.381 2.752 10.165 1.00 0.00 N ATOM 399 CZ ARG A 28 4.391 1.692 10.984 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.015 1.829 12.263 1.00 0.00 N ATOM 401 NH2 ARG A 28 4.777 0.494 10.524 1.00 0.00 N ATOM 0 H ARG A 28 4.053 6.483 6.798 1.00 0.00 H new ATOM 0 HA ARG A 28 4.415 8.371 9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.188 6.616 10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.683 6.798 9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.833 4.714 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.569 4.822 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.734 4.553 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.052 4.066 11.158 1.00 0.00 H new ATOM 0 HE ARG A 28 4.673 2.612 9.198 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.721 2.741 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.023 1.022 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.063 0.389 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.785 -0.313 11.147 1.00 0.00 H new ATOM 415 N GLY A 29 6.614 6.978 9.640 1.00 0.00 N ATOM 416 CA GLY A 29 8.008 6.568 9.658 1.00 0.00 C ATOM 417 C GLY A 29 8.937 7.784 9.662 1.00 0.00 C ATOM 418 O GLY A 29 8.565 8.852 10.147 1.00 0.00 O ATOM 0 H GLY A 29 6.268 7.352 10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.200 5.957 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.219 5.947 8.787 1.00 0.00 H new ATOM 422 N GLY A 30 10.127 7.582 9.117 1.00 0.00 N ATOM 423 CA GLY A 30 11.111 8.649 9.052 1.00 0.00 C ATOM 424 C GLY A 30 12.492 8.148 9.481 1.00 0.00 C ATOM 425 O GLY A 30 12.605 7.351 10.412 1.00 0.00 O ATOM 0 H GLY A 30 10.432 6.695 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.162 9.040 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.803 9.473 9.696 1.00 0.00 H new ATOM 429 N SER A 31 13.507 8.636 8.783 1.00 0.00 N ATOM 430 CA SER A 31 14.875 8.248 9.081 1.00 0.00 C ATOM 431 C SER A 31 15.216 8.602 10.530 1.00 0.00 C ATOM 432 O SER A 31 16.100 7.994 11.130 1.00 0.00 O ATOM 433 CB SER A 31 15.859 8.922 8.124 1.00 0.00 C ATOM 434 OG SER A 31 16.134 10.268 8.502 1.00 0.00 O ATOM 0 H SER A 31 13.409 9.297 8.012 1.00 0.00 H new ATOM 0 HA SER A 31 14.961 7.170 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.789 8.354 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.451 8.905 7.113 1.00 0.00 H new ATOM 0 HG SER A 31 16.768 10.663 7.867 1.00 0.00 H new ATOM 440 N GLU A 32 14.496 9.585 11.050 1.00 0.00 N ATOM 441 CA GLU A 32 14.711 10.028 12.417 1.00 0.00 C ATOM 442 C GLU A 32 14.541 8.857 13.387 1.00 0.00 C ATOM 443 O GLU A 32 15.254 8.765 14.385 1.00 0.00 O ATOM 444 CB GLU A 32 13.768 11.179 12.776 1.00 0.00 C ATOM 445 CG GLU A 32 14.083 11.732 14.167 1.00 0.00 C ATOM 446 CD GLU A 32 13.484 13.128 14.350 1.00 0.00 C ATOM 447 OE1 GLU A 32 14.146 14.091 13.908 1.00 0.00 O ATOM 448 OE2 GLU A 32 12.378 13.200 14.929 1.00 0.00 O ATOM 0 H GLU A 32 13.763 10.087 10.549 1.00 0.00 H new ATOM 0 HA GLU A 32 15.732 10.399 12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.860 11.974 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.735 10.831 12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.687 11.060 14.928 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.163 11.774 14.310 1.00 0.00 H new ATOM 455 N HIS A 33 13.593 7.992 13.060 1.00 0.00 N ATOM 456 CA HIS A 33 13.320 6.831 13.890 1.00 0.00 C ATOM 457 C HIS A 33 14.183 5.655 13.427 1.00 0.00 C ATOM 458 O HIS A 33 14.390 4.701 14.175 1.00 0.00 O ATOM 459 CB HIS A 33 11.825 6.504 13.893 1.00 0.00 C ATOM 460 CG HIS A 33 11.127 6.838 15.190 1.00 0.00 C ATOM 461 ND1 HIS A 33 11.631 6.478 16.427 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.960 7.503 15.428 1.00 0.00 C ATOM 463 CE1 HIS A 33 10.796 6.911 17.361 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.761 7.545 16.739 1.00 0.00 N ATOM 0 H HIS A 33 13.004 8.072 12.231 1.00 0.00 H new ATOM 0 HA HIS A 33 13.587 7.048 14.924 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.343 7.049 13.082 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.695 5.442 13.685 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.308 7.924 14.677 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.914 6.784 18.427 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.965 7.980 17.205 1.00 0.00 H new ATOM 472 N GLY A 34 14.662 5.763 12.197 1.00 0.00 N ATOM 473 CA GLY A 34 15.498 4.721 11.625 1.00 0.00 C ATOM 474 C GLY A 34 14.718 3.891 10.604 1.00 0.00 C ATOM 475 O GLY A 34 15.274 2.995 9.972 1.00 0.00 O ATOM 0 H GLY A 34 14.487 6.556 11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.368 5.170 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.870 4.072 12.418 1.00 0.00 H new ATOM 479 N VAL A 35 13.441 4.219 10.474 1.00 0.00 N ATOM 480 CA VAL A 35 12.578 3.515 9.540 1.00 0.00 C ATOM 481 C VAL A 35 12.278 4.424 8.347 1.00 0.00 C ATOM 482 O VAL A 35 12.266 5.646 8.480 1.00 0.00 O ATOM 483 CB VAL A 35 11.315 3.032 10.257 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.626 2.620 11.697 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.219 4.098 10.215 1.00 0.00 C ATOM 0 H VAL A 35 12.983 4.963 11.000 1.00 0.00 H new ATOM 0 HA VAL A 35 13.076 2.626 9.154 1.00 0.00 H new ATOM 0 HB VAL A 35 10.946 2.152 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.712 2.281 12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.357 1.811 11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.031 3.474 12.240 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.333 3.729 10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.574 5.004 10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.968 4.321 9.178 1.00 0.00 H new ATOM 495 N GLY A 36 12.041 3.791 7.207 1.00 0.00 N ATOM 496 CA GLY A 36 11.742 4.526 5.990 1.00 0.00 C ATOM 497 C GLY A 36 10.358 5.174 6.068 1.00 0.00 C ATOM 498 O GLY A 36 10.084 5.954 6.979 1.00 0.00 O ATOM 0 H GLY A 36 12.050 2.777 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.499 5.294 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.785 3.852 5.134 1.00 0.00 H new ATOM 502 N ILE A 37 9.522 4.828 5.101 1.00 0.00 N ATOM 503 CA ILE A 37 8.173 5.366 5.048 1.00 0.00 C ATOM 504 C ILE A 37 7.183 4.226 4.800 1.00 0.00 C ATOM 505 O ILE A 37 7.517 3.241 4.144 1.00 0.00 O ATOM 506 CB ILE A 37 8.085 6.492 4.017 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.185 7.532 4.245 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.692 7.124 4.012 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.844 8.440 5.428 1.00 0.00 C ATOM 0 H ILE A 37 9.753 4.181 4.347 1.00 0.00 H new ATOM 0 HA ILE A 37 7.906 5.818 6.003 1.00 0.00 H new ATOM 0 HB ILE A 37 8.247 6.062 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.134 7.028 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.314 8.134 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.657 7.922 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.949 6.366 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.476 7.536 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.642 9.170 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.907 8.960 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.740 7.838 6.331 1.00 0.00 H new ATOM 521 N TYR A 38 5.985 4.398 5.338 1.00 0.00 N ATOM 522 CA TYR A 38 4.944 3.396 5.183 1.00 0.00 C ATOM 523 C TYR A 38 3.557 4.008 5.394 1.00 0.00 C ATOM 524 O TYR A 38 3.435 5.105 5.938 1.00 0.00 O ATOM 525 CB TYR A 38 5.198 2.352 6.271 1.00 0.00 C ATOM 526 CG TYR A 38 6.572 1.685 6.185 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.664 2.273 6.790 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.720 0.495 5.501 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.958 1.645 6.708 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.013 -0.133 5.420 1.00 0.00 C ATOM 531 CZ TYR A 38 9.068 0.473 6.027 1.00 0.00 C ATOM 532 OH TYR A 38 10.290 -0.120 5.950 1.00 0.00 O ATOM 0 H TYR A 38 5.712 5.216 5.882 1.00 0.00 H new ATOM 0 HA TYR A 38 4.969 2.970 4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.097 2.827 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.428 1.583 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.549 3.204 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.866 0.035 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.821 2.095 7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.142 -1.065 4.889 1.00 0.00 H new ATOM 0 HH TYR A 38 10.179 -1.092 5.889 1.00 0.00 H new ATOM 542 N VAL A 39 2.548 3.273 4.952 1.00 0.00 N ATOM 543 CA VAL A 39 1.175 3.730 5.086 1.00 0.00 C ATOM 544 C VAL A 39 0.711 3.523 6.530 1.00 0.00 C ATOM 545 O VAL A 39 1.017 2.502 7.143 1.00 0.00 O ATOM 546 CB VAL A 39 0.285 3.019 4.065 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.144 3.564 4.110 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.870 3.130 2.656 1.00 0.00 C ATOM 0 H VAL A 39 2.653 2.364 4.501 1.00 0.00 H new ATOM 0 HA VAL A 39 1.105 4.796 4.872 1.00 0.00 H new ATOM 0 HB VAL A 39 0.249 1.962 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.756 3.042 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.561 3.409 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.134 4.630 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.218 2.616 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.951 4.181 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.859 2.672 2.636 1.00 0.00 H new ATOM 558 N SER A 40 -0.019 4.509 7.030 1.00 0.00 N ATOM 559 CA SER A 40 -0.527 4.448 8.390 1.00 0.00 C ATOM 560 C SER A 40 -2.057 4.407 8.376 1.00 0.00 C ATOM 561 O SER A 40 -2.671 3.740 9.206 1.00 0.00 O ATOM 562 CB SER A 40 -0.036 5.638 9.216 1.00 0.00 C ATOM 563 OG SER A 40 -0.648 6.859 8.809 1.00 0.00 O ATOM 0 H SER A 40 -0.271 5.354 6.518 1.00 0.00 H new ATOM 0 HA SER A 40 -0.149 3.537 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.248 5.460 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.046 5.725 9.119 1.00 0.00 H new ATOM 0 HG SER A 40 -0.310 7.595 9.361 1.00 0.00 H new ATOM 569 N LEU A 41 -2.627 5.129 7.422 1.00 0.00 N ATOM 570 CA LEU A 41 -4.073 5.184 7.289 1.00 0.00 C ATOM 571 C LEU A 41 -4.441 5.245 5.805 1.00 0.00 C ATOM 572 O LEU A 41 -3.715 5.832 5.005 1.00 0.00 O ATOM 573 CB LEU A 41 -4.644 6.340 8.113 1.00 0.00 C ATOM 574 CG LEU A 41 -6.119 6.667 7.876 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.335 7.245 6.476 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.001 5.443 8.133 1.00 0.00 C ATOM 0 H LEU A 41 -2.114 5.680 6.734 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.528 4.280 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.509 6.109 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.056 7.234 7.905 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.417 7.434 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.392 7.469 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.753 8.160 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.014 6.519 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.045 5.703 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.710 4.637 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.878 5.116 9.165 1.00 0.00 H new ATOM 588 N VAL A 42 -5.571 4.631 5.483 1.00 0.00 N ATOM 589 CA VAL A 42 -6.045 4.609 4.109 1.00 0.00 C ATOM 590 C VAL A 42 -7.550 4.883 4.090 1.00 0.00 C ATOM 591 O VAL A 42 -8.323 4.168 4.726 1.00 0.00 O ATOM 592 CB VAL A 42 -5.670 3.281 3.448 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.614 2.961 2.288 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.213 3.293 2.982 1.00 0.00 C ATOM 0 H VAL A 42 -6.171 4.145 6.149 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.564 5.394 3.525 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.777 2.493 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.326 2.012 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.636 2.890 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.554 3.752 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.972 2.338 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.069 4.096 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.558 3.454 3.839 1.00 0.00 H new ATOM 604 N GLU A 43 -7.920 5.920 3.352 1.00 0.00 N ATOM 605 CA GLU A 43 -9.319 6.297 3.241 1.00 0.00 C ATOM 606 C GLU A 43 -10.101 5.219 2.487 1.00 0.00 C ATOM 607 O GLU A 43 -9.605 4.653 1.515 1.00 0.00 O ATOM 608 CB GLU A 43 -9.467 7.659 2.560 1.00 0.00 C ATOM 609 CG GLU A 43 -9.103 8.794 3.520 1.00 0.00 C ATOM 610 CD GLU A 43 -10.295 9.728 3.741 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.299 9.242 4.304 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.174 10.906 3.343 1.00 0.00 O ATOM 0 H GLU A 43 -7.276 6.510 2.826 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.733 6.383 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.825 7.702 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.492 7.786 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.780 8.378 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.263 9.360 3.118 1.00 0.00 H new ATOM 619 N PRO A 44 -11.343 4.962 2.978 1.00 0.00 N ATOM 620 CA PRO A 44 -12.199 3.962 2.361 1.00 0.00 C ATOM 621 C PRO A 44 -12.787 4.479 1.047 1.00 0.00 C ATOM 622 O PRO A 44 -12.859 5.688 0.828 1.00 0.00 O ATOM 623 CB PRO A 44 -13.259 3.654 3.405 1.00 0.00 C ATOM 624 CG PRO A 44 -13.236 4.820 4.381 1.00 0.00 C ATOM 625 CD PRO A 44 -11.964 5.613 4.127 1.00 0.00 C ATOM 0 HA PRO A 44 -11.657 3.058 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.242 3.550 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.044 2.714 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.114 5.451 4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.262 4.458 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.185 6.659 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.306 5.594 4.996 1.00 0.00 H new ATOM 633 N GLY A 45 -13.192 3.539 0.206 1.00 0.00 N ATOM 634 CA GLY A 45 -13.772 3.884 -1.081 1.00 0.00 C ATOM 635 C GLY A 45 -13.060 5.091 -1.696 1.00 0.00 C ATOM 636 O GLY A 45 -13.670 5.867 -2.430 1.00 0.00 O ATOM 0 H GLY A 45 -13.130 2.538 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.700 3.032 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.832 4.106 -0.959 1.00 0.00 H new ATOM 640 N SER A 46 -11.781 5.210 -1.375 1.00 0.00 N ATOM 641 CA SER A 46 -10.980 6.309 -1.887 1.00 0.00 C ATOM 642 C SER A 46 -10.204 5.858 -3.127 1.00 0.00 C ATOM 643 O SER A 46 -10.371 4.731 -3.592 1.00 0.00 O ATOM 644 CB SER A 46 -10.017 6.833 -0.820 1.00 0.00 C ATOM 645 OG SER A 46 -8.810 6.076 -0.772 1.00 0.00 O ATOM 0 H SER A 46 -11.279 4.564 -0.766 1.00 0.00 H new ATOM 0 HA SER A 46 -11.652 7.122 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.782 7.877 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.504 6.801 0.155 1.00 0.00 H new ATOM 0 HG SER A 46 -8.832 5.474 0.001 1.00 0.00 H new ATOM 651 N LEU A 47 -9.373 6.760 -3.626 1.00 0.00 N ATOM 652 CA LEU A 47 -8.571 6.469 -4.802 1.00 0.00 C ATOM 653 C LEU A 47 -7.440 5.513 -4.420 1.00 0.00 C ATOM 654 O LEU A 47 -7.285 4.454 -5.026 1.00 0.00 O ATOM 655 CB LEU A 47 -8.085 7.765 -5.454 1.00 0.00 C ATOM 656 CG LEU A 47 -7.200 7.604 -6.692 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.647 6.406 -7.532 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.160 8.896 -7.510 1.00 0.00 C ATOM 0 H LEU A 47 -9.237 7.693 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.174 5.965 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.957 8.358 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.532 8.338 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.181 7.403 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.002 6.313 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.580 5.497 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.677 6.553 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.524 8.754 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.169 9.153 -7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.759 9.703 -6.897 1.00 0.00 H new ATOM 670 N ALA A 48 -6.678 5.920 -3.415 1.00 0.00 N ATOM 671 CA ALA A 48 -5.566 5.112 -2.944 1.00 0.00 C ATOM 672 C ALA A 48 -6.011 3.653 -2.835 1.00 0.00 C ATOM 673 O ALA A 48 -5.513 2.792 -3.558 1.00 0.00 O ATOM 674 CB ALA A 48 -5.058 5.668 -1.612 1.00 0.00 C ATOM 0 H ALA A 48 -6.809 6.799 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.737 5.152 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.224 5.062 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.726 6.697 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.862 5.642 -0.877 1.00 0.00 H new ATOM 680 N GLU A 49 -6.945 3.419 -1.924 1.00 0.00 N ATOM 681 CA GLU A 49 -7.463 2.079 -1.710 1.00 0.00 C ATOM 682 C GLU A 49 -7.870 1.448 -3.044 1.00 0.00 C ATOM 683 O GLU A 49 -7.667 0.254 -3.257 1.00 0.00 O ATOM 684 CB GLU A 49 -8.638 2.095 -0.730 1.00 0.00 C ATOM 685 CG GLU A 49 -9.402 0.770 -0.769 1.00 0.00 C ATOM 686 CD GLU A 49 -10.397 0.745 -1.932 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.295 1.613 -1.929 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.235 -0.143 -2.797 1.00 0.00 O ATOM 0 H GLU A 49 -7.356 4.136 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.673 1.471 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.271 2.278 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.312 2.915 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.699 -0.057 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.933 0.624 0.172 1.00 0.00 H new ATOM 695 N LYS A 50 -8.436 2.279 -3.906 1.00 0.00 N ATOM 696 CA LYS A 50 -8.873 1.818 -5.213 1.00 0.00 C ATOM 697 C LYS A 50 -7.656 1.368 -6.024 1.00 0.00 C ATOM 698 O LYS A 50 -7.740 0.419 -6.802 1.00 0.00 O ATOM 699 CB LYS A 50 -9.712 2.892 -5.908 1.00 0.00 C ATOM 700 CG LYS A 50 -11.172 2.826 -5.454 1.00 0.00 C ATOM 701 CD LYS A 50 -11.905 4.130 -5.776 1.00 0.00 C ATOM 702 CE LYS A 50 -12.890 3.935 -6.930 1.00 0.00 C ATOM 703 NZ LYS A 50 -12.453 4.701 -8.119 1.00 0.00 N ATOM 0 H LYS A 50 -8.602 3.269 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.527 0.952 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.303 3.878 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.657 2.759 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.672 1.992 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.215 2.636 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.439 4.479 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.182 4.903 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.963 2.876 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.885 4.260 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.132 4.558 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.406 5.713 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.513 4.371 -8.418 1.00 0.00 H new ATOM 717 N GLU A 51 -6.553 2.071 -5.813 1.00 0.00 N ATOM 718 CA GLU A 51 -5.320 1.756 -6.515 1.00 0.00 C ATOM 719 C GLU A 51 -4.696 0.480 -5.946 1.00 0.00 C ATOM 720 O GLU A 51 -3.944 -0.208 -6.634 1.00 0.00 O ATOM 721 CB GLU A 51 -4.336 2.925 -6.446 1.00 0.00 C ATOM 722 CG GLU A 51 -4.899 4.159 -7.154 1.00 0.00 C ATOM 723 CD GLU A 51 -5.170 3.867 -8.631 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.197 3.503 -9.326 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.345 4.015 -9.033 1.00 0.00 O ATOM 0 H GLU A 51 -6.487 2.857 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.557 1.584 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.123 3.165 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.391 2.637 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.822 4.473 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.195 4.986 -7.066 1.00 0.00 H new ATOM 732 N GLY A 52 -5.033 0.202 -4.695 1.00 0.00 N ATOM 733 CA GLY A 52 -4.515 -0.979 -4.025 1.00 0.00 C ATOM 734 C GLY A 52 -3.897 -0.616 -2.673 1.00 0.00 C ATOM 735 O GLY A 52 -3.784 -1.465 -1.790 1.00 0.00 O ATOM 0 H GLY A 52 -5.658 0.774 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.319 -1.701 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.766 -1.459 -4.654 1.00 0.00 H new ATOM 739 N LEU A 53 -3.514 0.647 -2.553 1.00 0.00 N ATOM 740 CA LEU A 53 -2.911 1.132 -1.324 1.00 0.00 C ATOM 741 C LEU A 53 -3.669 0.556 -0.126 1.00 0.00 C ATOM 742 O LEU A 53 -4.820 0.142 -0.257 1.00 0.00 O ATOM 743 CB LEU A 53 -2.839 2.660 -1.329 1.00 0.00 C ATOM 744 CG LEU A 53 -1.507 3.271 -0.889 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.490 3.249 -2.032 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.709 4.680 -0.328 1.00 0.00 C ATOM 0 H LEU A 53 -3.610 1.349 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.880 0.787 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.062 3.011 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.624 3.043 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.100 2.660 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.448 3.689 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.316 2.219 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.877 3.823 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.747 5.091 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.149 5.317 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.375 4.636 0.534 1.00 0.00 H new ATOM 758 N ARG A 54 -2.994 0.548 1.013 1.00 0.00 N ATOM 759 CA ARG A 54 -3.590 0.029 2.233 1.00 0.00 C ATOM 760 C ARG A 54 -2.546 -0.031 3.350 1.00 0.00 C ATOM 761 O ARG A 54 -1.433 -0.512 3.139 1.00 0.00 O ATOM 762 CB ARG A 54 -4.171 -1.368 2.011 1.00 0.00 C ATOM 763 CG ARG A 54 -5.697 -1.318 1.911 1.00 0.00 C ATOM 764 CD ARG A 54 -6.345 -1.641 3.259 1.00 0.00 C ATOM 765 NE ARG A 54 -7.674 -2.257 3.047 1.00 0.00 N ATOM 766 CZ ARG A 54 -8.518 -2.582 4.035 1.00 0.00 C ATOM 767 NH1 ARG A 54 -8.177 -2.352 5.311 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.704 -3.137 3.749 1.00 0.00 N ATOM 0 H ARG A 54 -2.040 0.893 1.118 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.396 0.703 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.757 -1.797 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.878 -2.022 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.011 -0.328 1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.039 -2.029 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.707 -2.319 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.447 -0.731 3.850 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.966 -2.446 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.275 -1.929 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.820 -2.600 6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.964 -3.312 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.346 -3.384 4.502 1.00 0.00 H new ATOM 782 N VAL A 55 -2.942 0.463 4.514 1.00 0.00 N ATOM 783 CA VAL A 55 -2.054 0.471 5.664 1.00 0.00 C ATOM 784 C VAL A 55 -1.272 -0.843 5.708 1.00 0.00 C ATOM 785 O VAL A 55 -1.861 -1.918 5.814 1.00 0.00 O ATOM 786 CB VAL A 55 -2.855 0.733 6.941 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.971 0.590 8.182 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.520 2.110 6.898 1.00 0.00 C ATOM 0 H VAL A 55 -3.866 0.860 4.685 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.327 1.279 5.580 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.643 -0.018 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.565 0.781 9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.565 -0.421 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.152 1.308 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.083 2.271 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.755 2.881 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.196 2.161 6.045 1.00 0.00 H new ATOM 798 N GLY A 56 0.044 -0.715 5.626 1.00 0.00 N ATOM 799 CA GLY A 56 0.913 -1.879 5.655 1.00 0.00 C ATOM 800 C GLY A 56 1.983 -1.793 4.564 1.00 0.00 C ATOM 801 O GLY A 56 3.128 -2.186 4.780 1.00 0.00 O ATOM 0 H GLY A 56 0.530 0.178 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.390 -1.957 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.320 -2.783 5.517 1.00 0.00 H new ATOM 805 N ASP A 57 1.571 -1.276 3.416 1.00 0.00 N ATOM 806 CA ASP A 57 2.479 -1.133 2.291 1.00 0.00 C ATOM 807 C ASP A 57 3.705 -0.328 2.729 1.00 0.00 C ATOM 808 O ASP A 57 3.802 0.081 3.885 1.00 0.00 O ATOM 809 CB ASP A 57 1.811 -0.384 1.135 1.00 0.00 C ATOM 810 CG ASP A 57 0.988 -1.260 0.188 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.366 -2.441 0.034 1.00 0.00 O ATOM 812 OD2 ASP A 57 -0.001 -0.727 -0.360 1.00 0.00 O ATOM 0 H ASP A 57 0.620 -0.951 3.241 1.00 0.00 H new ATOM 0 HA ASP A 57 2.763 -2.131 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.162 0.388 1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.583 0.125 0.557 1.00 0.00 H new ATOM 817 N GLN A 58 4.609 -0.126 1.783 1.00 0.00 N ATOM 818 CA GLN A 58 5.824 0.622 2.057 1.00 0.00 C ATOM 819 C GLN A 58 6.146 1.559 0.891 1.00 0.00 C ATOM 820 O GLN A 58 6.408 1.104 -0.221 1.00 0.00 O ATOM 821 CB GLN A 58 6.996 -0.320 2.342 1.00 0.00 C ATOM 822 CG GLN A 58 8.281 0.467 2.608 1.00 0.00 C ATOM 823 CD GLN A 58 9.444 -0.474 2.927 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.386 -1.672 2.705 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.500 0.134 3.460 1.00 0.00 N ATOM 0 H GLN A 58 4.525 -0.467 0.825 1.00 0.00 H new ATOM 0 HA GLN A 58 5.661 1.227 2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.763 -0.945 3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.144 -0.989 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.528 1.073 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.125 1.154 3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.482 1.141 3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.328 -0.407 3.709 1.00 0.00 H new ATOM 834 N ILE A 59 6.114 2.850 1.185 1.00 0.00 N ATOM 835 CA ILE A 59 6.399 3.855 0.175 1.00 0.00 C ATOM 836 C ILE A 59 7.903 3.878 -0.106 1.00 0.00 C ATOM 837 O ILE A 59 8.659 4.545 0.598 1.00 0.00 O ATOM 838 CB ILE A 59 5.831 5.213 0.594 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.353 5.095 0.973 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.062 6.263 -0.494 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.485 4.875 -0.268 1.00 0.00 C ATOM 0 H ILE A 59 5.895 3.224 2.108 1.00 0.00 H new ATOM 0 HA ILE A 59 5.903 3.603 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 59 6.366 5.548 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.217 4.266 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.033 6.000 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.649 7.219 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.132 6.372 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.570 5.948 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.439 4.794 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.605 5.717 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.792 3.957 -0.768 1.00 0.00 H new ATOM 853 N LEU A 60 8.291 3.141 -1.137 1.00 0.00 N ATOM 854 CA LEU A 60 9.691 3.069 -1.520 1.00 0.00 C ATOM 855 C LEU A 60 10.117 4.404 -2.135 1.00 0.00 C ATOM 856 O LEU A 60 11.113 4.992 -1.719 1.00 0.00 O ATOM 857 CB LEU A 60 9.935 1.866 -2.433 1.00 0.00 C ATOM 858 CG LEU A 60 9.368 0.530 -1.948 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.514 -0.550 -3.021 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.009 0.111 -0.623 1.00 0.00 C ATOM 0 H LEU A 60 7.661 2.589 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 60 10.318 2.907 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.508 2.085 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.010 1.753 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 60 8.301 0.659 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.103 -1.489 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.974 -0.247 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.569 -0.685 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.588 -0.841 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.086 0.006 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.810 0.870 0.134 1.00 0.00 H new ATOM 872 N ARG A 61 9.340 4.842 -3.115 1.00 0.00 N ATOM 873 CA ARG A 61 9.625 6.096 -3.791 1.00 0.00 C ATOM 874 C ARG A 61 8.427 7.041 -3.682 1.00 0.00 C ATOM 875 O ARG A 61 7.324 6.615 -3.344 1.00 0.00 O ATOM 876 CB ARG A 61 9.951 5.864 -5.268 1.00 0.00 C ATOM 877 CG ARG A 61 11.458 5.704 -5.478 1.00 0.00 C ATOM 878 CD ARG A 61 11.770 5.295 -6.919 1.00 0.00 C ATOM 879 NE ARG A 61 13.103 5.805 -7.312 1.00 0.00 N ATOM 880 CZ ARG A 61 13.797 5.358 -8.367 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.289 4.389 -9.141 1.00 0.00 N ATOM 882 NH2 ARG A 61 14.998 5.879 -8.649 1.00 0.00 N ATOM 0 H ARG A 61 8.514 4.351 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 61 10.492 6.545 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.434 4.972 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.584 6.702 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.963 6.641 -5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.847 4.953 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.745 4.209 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.008 5.689 -7.591 1.00 0.00 H new ATOM 0 HE ARG A 61 13.519 6.543 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.374 3.992 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.817 4.048 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.385 6.617 -8.060 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.526 5.538 -9.452 1.00 0.00 H new ATOM 896 N VAL A 62 8.684 8.307 -3.976 1.00 0.00 N ATOM 897 CA VAL A 62 7.640 9.316 -3.916 1.00 0.00 C ATOM 898 C VAL A 62 7.832 10.311 -5.063 1.00 0.00 C ATOM 899 O VAL A 62 8.791 11.081 -5.068 1.00 0.00 O ATOM 900 CB VAL A 62 7.637 9.984 -2.540 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.573 11.194 -2.515 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.218 10.381 -2.126 1.00 0.00 C ATOM 0 H VAL A 62 9.600 8.657 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 62 6.659 8.859 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 62 8.007 9.259 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.552 11.650 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.589 10.873 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.246 11.922 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.244 10.854 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.809 11.081 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.589 9.492 -2.084 1.00 0.00 H new ATOM 912 N ASN A 63 6.903 10.263 -6.006 1.00 0.00 N ATOM 913 CA ASN A 63 6.957 11.150 -7.156 1.00 0.00 C ATOM 914 C ASN A 63 8.136 10.752 -8.047 1.00 0.00 C ATOM 915 O ASN A 63 7.944 10.344 -9.191 1.00 0.00 O ATOM 916 CB ASN A 63 7.163 12.603 -6.721 1.00 0.00 C ATOM 917 CG ASN A 63 6.297 13.552 -7.552 1.00 0.00 C ATOM 918 OD1 ASN A 63 6.526 13.771 -8.731 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.293 14.101 -6.875 1.00 0.00 N ATOM 0 H ASN A 63 6.108 9.624 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 63 6.012 11.064 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.915 12.709 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.213 12.874 -6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.658 14.749 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.158 13.874 -5.890 1.00 0.00 H new ATOM 926 N ASP A 64 9.330 10.886 -7.488 1.00 0.00 N ATOM 927 CA ASP A 64 10.539 10.545 -8.218 1.00 0.00 C ATOM 928 C ASP A 64 11.650 10.199 -7.223 1.00 0.00 C ATOM 929 O ASP A 64 12.348 9.201 -7.389 1.00 0.00 O ATOM 930 CB ASP A 64 11.018 11.721 -9.070 1.00 0.00 C ATOM 931 CG ASP A 64 12.107 11.380 -10.090 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.396 10.172 -10.228 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.625 12.335 -10.707 1.00 0.00 O ATOM 0 H ASP A 64 9.486 11.226 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 64 10.314 9.698 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.162 12.138 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.393 12.501 -8.408 1.00 0.00 H new ATOM 938 N LYS A 65 11.777 11.044 -6.210 1.00 0.00 N ATOM 939 CA LYS A 65 12.790 10.841 -5.189 1.00 0.00 C ATOM 940 C LYS A 65 12.424 9.614 -4.351 1.00 0.00 C ATOM 941 O LYS A 65 11.254 9.247 -4.260 1.00 0.00 O ATOM 942 CB LYS A 65 12.982 12.114 -4.363 1.00 0.00 C ATOM 943 CG LYS A 65 13.735 13.179 -5.164 1.00 0.00 C ATOM 944 CD LYS A 65 12.772 14.226 -5.726 1.00 0.00 C ATOM 945 CE LYS A 65 13.500 15.197 -6.657 1.00 0.00 C ATOM 946 NZ LYS A 65 12.905 16.549 -6.564 1.00 0.00 N ATOM 0 H LYS A 65 11.195 11.871 -6.075 1.00 0.00 H new ATOM 0 HA LYS A 65 13.758 10.638 -5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.011 12.503 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.534 11.881 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.473 13.664 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.281 12.706 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.967 13.731 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.311 14.778 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.557 15.239 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.442 14.838 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.411 17.196 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.902 16.507 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.983 16.896 -5.587 1.00 0.00 H new ATOM 960 N SER A 66 13.447 9.014 -3.761 1.00 0.00 N ATOM 961 CA SER A 66 13.248 7.836 -2.933 1.00 0.00 C ATOM 962 C SER A 66 13.486 8.183 -1.462 1.00 0.00 C ATOM 963 O SER A 66 14.504 8.781 -1.119 1.00 0.00 O ATOM 964 CB SER A 66 14.173 6.696 -3.366 1.00 0.00 C ATOM 965 OG SER A 66 15.545 7.077 -3.323 1.00 0.00 O ATOM 0 H SER A 66 14.416 9.321 -3.840 1.00 0.00 H new ATOM 0 HA SER A 66 12.219 7.500 -3.058 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.015 5.835 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.915 6.384 -4.378 1.00 0.00 H new ATOM 0 HG SER A 66 16.103 6.322 -3.605 1.00 0.00 H new ATOM 971 N LEU A 67 12.529 7.793 -0.633 1.00 0.00 N ATOM 972 CA LEU A 67 12.621 8.056 0.793 1.00 0.00 C ATOM 973 C LEU A 67 13.380 6.912 1.470 1.00 0.00 C ATOM 974 O LEU A 67 12.938 6.389 2.492 1.00 0.00 O ATOM 975 CB LEU A 67 11.232 8.307 1.383 1.00 0.00 C ATOM 976 CG LEU A 67 10.217 8.971 0.450 1.00 0.00 C ATOM 977 CD1 LEU A 67 10.874 10.082 -0.371 1.00 0.00 C ATOM 978 CD2 LEU A 67 9.527 7.934 -0.437 1.00 0.00 C ATOM 0 H LEU A 67 11.686 7.297 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 67 13.189 8.968 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.822 7.353 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.343 8.931 2.270 1.00 0.00 H new ATOM 0 HG LEU A 67 9.444 9.436 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.132 10.538 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.280 10.839 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.680 9.662 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.811 8.433 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.273 7.419 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.005 7.210 0.188 1.00 0.00 H new ATOM 990 N ALA A 68 14.507 6.557 0.872 1.00 0.00 N ATOM 991 CA ALA A 68 15.331 5.485 1.404 1.00 0.00 C ATOM 992 C ALA A 68 15.553 5.713 2.900 1.00 0.00 C ATOM 993 O ALA A 68 15.297 4.825 3.712 1.00 0.00 O ATOM 994 CB ALA A 68 16.645 5.415 0.623 1.00 0.00 C ATOM 0 H ALA A 68 14.869 6.993 0.024 1.00 0.00 H new ATOM 0 HA ALA A 68 14.832 4.523 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.263 4.611 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.433 5.222 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.176 6.362 0.718 1.00 0.00 H new ATOM 1000 N ARG A 69 16.028 6.908 3.220 1.00 0.00 N ATOM 1001 CA ARG A 69 16.288 7.264 4.605 1.00 0.00 C ATOM 1002 C ARG A 69 16.112 8.771 4.807 1.00 0.00 C ATOM 1003 O ARG A 69 17.094 9.508 4.892 1.00 0.00 O ATOM 1004 CB ARG A 69 17.704 6.862 5.021 1.00 0.00 C ATOM 1005 CG ARG A 69 17.678 5.651 5.955 1.00 0.00 C ATOM 1006 CD ARG A 69 19.003 5.509 6.706 1.00 0.00 C ATOM 1007 NE ARG A 69 19.446 4.097 6.690 1.00 0.00 N ATOM 1008 CZ ARG A 69 20.544 3.647 7.313 1.00 0.00 C ATOM 1009 NH1 ARG A 69 21.317 4.495 8.004 1.00 0.00 N ATOM 1010 NH2 ARG A 69 20.868 2.348 7.244 1.00 0.00 N ATOM 0 H ARG A 69 16.240 7.642 2.544 1.00 0.00 H new ATOM 0 HA ARG A 69 15.573 6.724 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.295 6.630 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 69 18.192 7.700 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.861 5.755 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.484 4.747 5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.761 6.142 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.886 5.850 7.735 1.00 0.00 H new ATOM 0 HE ARG A 69 18.880 3.424 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 69 21.070 5.483 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 69 22.153 4.152 8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 69 20.279 1.703 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.704 2.005 7.718 1.00 0.00 H new ATOM 1024 N VAL A 70 14.855 9.184 4.878 1.00 0.00 N ATOM 1025 CA VAL A 70 14.539 10.589 5.069 1.00 0.00 C ATOM 1026 C VAL A 70 13.492 10.726 6.176 1.00 0.00 C ATOM 1027 O VAL A 70 12.726 9.798 6.429 1.00 0.00 O ATOM 1028 CB VAL A 70 14.092 11.210 3.744 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.188 11.085 2.683 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.785 10.582 3.258 1.00 0.00 C ATOM 0 H VAL A 70 14.044 8.570 4.807 1.00 0.00 H new ATOM 0 HA VAL A 70 15.424 11.139 5.388 1.00 0.00 H new ATOM 0 HB VAL A 70 13.911 12.271 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.845 11.534 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.086 11.600 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.415 10.032 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.489 11.041 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.928 9.511 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.005 10.745 4.001 1.00 0.00 H new ATOM 1040 N THR A 71 13.493 11.891 6.807 1.00 0.00 N ATOM 1041 CA THR A 71 12.553 12.162 7.881 1.00 0.00 C ATOM 1042 C THR A 71 11.118 12.153 7.349 1.00 0.00 C ATOM 1043 O THR A 71 10.901 12.190 6.139 1.00 0.00 O ATOM 1044 CB THR A 71 12.950 13.486 8.535 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.037 14.400 7.445 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.369 13.455 9.108 1.00 0.00 C ATOM 0 H THR A 71 14.130 12.658 6.595 1.00 0.00 H new ATOM 0 HA THR A 71 12.589 11.383 8.643 1.00 0.00 H new ATOM 0 HB THR A 71 12.243 13.724 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.288 15.286 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.600 14.419 9.560 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.439 12.673 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.080 13.250 8.308 1.00 0.00 H new ATOM 1054 N HIS A 72 10.177 12.103 8.280 1.00 0.00 N ATOM 1055 CA HIS A 72 8.769 12.089 7.920 1.00 0.00 C ATOM 1056 C HIS A 72 8.409 13.393 7.206 1.00 0.00 C ATOM 1057 O HIS A 72 7.507 13.419 6.370 1.00 0.00 O ATOM 1058 CB HIS A 72 7.897 11.825 9.149 1.00 0.00 C ATOM 1059 CG HIS A 72 6.488 11.390 8.820 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.378 11.885 9.481 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.022 10.504 7.894 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.297 11.315 8.969 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.699 10.459 7.985 1.00 0.00 N ATOM 0 H HIS A 72 10.362 12.072 9.283 1.00 0.00 H new ATOM 0 HA HIS A 72 8.575 11.271 7.227 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.371 11.056 9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.855 12.731 9.753 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.390 12.572 10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.627 9.935 7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.278 11.496 9.276 1.00 0.00 H new ATOM 1071 N ALA A 73 9.132 14.445 7.562 1.00 0.00 N ATOM 1072 CA ALA A 73 8.899 15.749 6.966 1.00 0.00 C ATOM 1073 C ALA A 73 9.356 15.726 5.506 1.00 0.00 C ATOM 1074 O ALA A 73 8.771 16.400 4.659 1.00 0.00 O ATOM 1075 CB ALA A 73 9.621 16.821 7.786 1.00 0.00 C ATOM 0 H ALA A 73 9.879 14.420 8.256 1.00 0.00 H new ATOM 0 HA ALA A 73 7.836 15.991 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.447 17.800 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.241 16.815 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.691 16.612 7.796 1.00 0.00 H new ATOM 1081 N GLU A 74 10.396 14.945 5.257 1.00 0.00 N ATOM 1082 CA GLU A 74 10.937 14.825 3.913 1.00 0.00 C ATOM 1083 C GLU A 74 9.905 14.190 2.980 1.00 0.00 C ATOM 1084 O GLU A 74 9.428 14.833 2.046 1.00 0.00 O ATOM 1085 CB GLU A 74 12.240 14.024 3.917 1.00 0.00 C ATOM 1086 CG GLU A 74 13.442 14.932 4.185 1.00 0.00 C ATOM 1087 CD GLU A 74 13.702 15.863 2.999 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.026 15.327 1.918 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.571 17.090 3.201 1.00 0.00 O ATOM 0 H GLU A 74 10.879 14.389 5.963 1.00 0.00 H new ATOM 0 HA GLU A 74 11.165 15.825 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.190 13.246 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.366 13.522 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.263 15.523 5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.326 14.324 4.375 1.00 0.00 H new ATOM 1096 N ALA A 75 9.591 12.935 3.264 1.00 0.00 N ATOM 1097 CA ALA A 75 8.624 12.205 2.461 1.00 0.00 C ATOM 1098 C ALA A 75 7.415 13.102 2.187 1.00 0.00 C ATOM 1099 O ALA A 75 6.996 13.251 1.040 1.00 0.00 O ATOM 1100 CB ALA A 75 8.238 10.910 3.179 1.00 0.00 C ATOM 0 H ALA A 75 9.989 12.405 4.039 1.00 0.00 H new ATOM 0 HA ALA A 75 9.055 11.928 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.513 10.362 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.127 10.296 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.799 11.148 4.148 1.00 0.00 H new ATOM 1106 N VAL A 76 6.889 13.676 3.258 1.00 0.00 N ATOM 1107 CA VAL A 76 5.736 14.554 3.147 1.00 0.00 C ATOM 1108 C VAL A 76 6.071 15.709 2.201 1.00 0.00 C ATOM 1109 O VAL A 76 5.376 15.925 1.209 1.00 0.00 O ATOM 1110 CB VAL A 76 5.302 15.026 4.536 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.085 15.948 4.446 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.021 13.836 5.456 1.00 0.00 C ATOM 0 H VAL A 76 7.240 13.551 4.208 1.00 0.00 H new ATOM 0 HA VAL A 76 4.887 14.019 2.721 1.00 0.00 H new ATOM 0 HB VAL A 76 6.124 15.597 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.797 16.269 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.334 16.821 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.256 15.412 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.714 14.199 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.224 13.226 5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.924 13.234 5.558 1.00 0.00 H new ATOM 1122 N LYS A 77 7.134 16.423 2.542 1.00 0.00 N ATOM 1123 CA LYS A 77 7.569 17.550 1.735 1.00 0.00 C ATOM 1124 C LYS A 77 7.832 17.077 0.304 1.00 0.00 C ATOM 1125 O LYS A 77 7.828 17.878 -0.629 1.00 0.00 O ATOM 1126 CB LYS A 77 8.769 18.243 2.385 1.00 0.00 C ATOM 1127 CG LYS A 77 8.313 19.260 3.433 1.00 0.00 C ATOM 1128 CD LYS A 77 7.973 20.603 2.782 1.00 0.00 C ATOM 1129 CE LYS A 77 7.441 21.595 3.818 1.00 0.00 C ATOM 1130 NZ LYS A 77 8.441 22.653 4.083 1.00 0.00 N ATOM 0 H LYS A 77 7.707 16.243 3.366 1.00 0.00 H new ATOM 0 HA LYS A 77 6.785 18.305 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.414 17.499 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.362 18.744 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.440 18.877 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.099 19.400 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.861 21.014 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.228 20.454 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.515 22.043 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.203 21.071 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.064 23.318 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.315 22.222 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.648 23.164 3.201 1.00 0.00 H new ATOM 1144 N ALA A 78 8.055 15.777 0.177 1.00 0.00 N ATOM 1145 CA ALA A 78 8.320 15.187 -1.125 1.00 0.00 C ATOM 1146 C ALA A 78 6.999 14.752 -1.761 1.00 0.00 C ATOM 1147 O ALA A 78 6.911 14.606 -2.979 1.00 0.00 O ATOM 1148 CB ALA A 78 9.303 14.025 -0.968 1.00 0.00 C ATOM 0 H ALA A 78 8.058 15.116 0.954 1.00 0.00 H new ATOM 0 HA ALA A 78 8.781 15.916 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.502 13.582 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.235 14.393 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.873 13.271 -0.309 1.00 0.00 H new ATOM 1154 N LEU A 79 6.004 14.557 -0.908 1.00 0.00 N ATOM 1155 CA LEU A 79 4.691 14.142 -1.372 1.00 0.00 C ATOM 1156 C LEU A 79 4.024 15.304 -2.111 1.00 0.00 C ATOM 1157 O LEU A 79 3.545 15.139 -3.231 1.00 0.00 O ATOM 1158 CB LEU A 79 3.860 13.595 -0.209 1.00 0.00 C ATOM 1159 CG LEU A 79 3.996 12.096 0.066 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.514 11.751 1.476 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.274 11.275 -1.004 1.00 0.00 C ATOM 0 H LEU A 79 6.081 14.679 0.102 1.00 0.00 H new ATOM 0 HA LEU A 79 4.781 13.321 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.137 14.137 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.810 13.815 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 79 5.053 11.834 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.622 10.680 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.110 12.296 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.466 12.031 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.386 10.213 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.215 11.535 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.705 11.491 -1.981 1.00 0.00 H new ATOM 1173 N LYS A 80 4.015 16.454 -1.453 1.00 0.00 N ATOM 1174 CA LYS A 80 3.415 17.643 -2.033 1.00 0.00 C ATOM 1175 C LYS A 80 4.291 18.141 -3.185 1.00 0.00 C ATOM 1176 O LYS A 80 5.450 17.747 -3.303 1.00 0.00 O ATOM 1177 CB LYS A 80 3.162 18.697 -0.953 1.00 0.00 C ATOM 1178 CG LYS A 80 2.004 18.283 -0.043 1.00 0.00 C ATOM 1179 CD LYS A 80 2.460 18.184 1.414 1.00 0.00 C ATOM 1180 CE LYS A 80 1.310 18.506 2.371 1.00 0.00 C ATOM 1181 NZ LYS A 80 0.510 17.291 2.646 1.00 0.00 N ATOM 0 H LYS A 80 4.414 16.587 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 80 2.437 17.410 -2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.065 18.837 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.937 19.655 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.194 19.008 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.606 17.322 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.834 17.180 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.286 18.873 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.707 18.907 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.674 19.278 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.266 17.526 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.116 16.926 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.117 16.566 3.079 1.00 0.00 H new ATOM 1195 N GLY A 81 3.702 18.999 -4.005 1.00 0.00 N ATOM 1196 CA GLY A 81 4.415 19.554 -5.143 1.00 0.00 C ATOM 1197 C GLY A 81 4.362 18.603 -6.341 1.00 0.00 C ATOM 1198 O GLY A 81 3.646 17.603 -6.313 1.00 0.00 O ATOM 0 H GLY A 81 2.740 19.323 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.978 20.514 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.453 19.742 -4.869 1.00 0.00 H new ATOM 1202 N SER A 82 5.131 18.947 -7.363 1.00 0.00 N ATOM 1203 CA SER A 82 5.182 18.136 -8.568 1.00 0.00 C ATOM 1204 C SER A 82 3.801 18.087 -9.224 1.00 0.00 C ATOM 1205 O SER A 82 2.823 18.574 -8.658 1.00 0.00 O ATOM 1206 CB SER A 82 5.673 16.720 -8.258 1.00 0.00 C ATOM 1207 OG SER A 82 7.053 16.553 -8.571 1.00 0.00 O ATOM 0 H SER A 82 5.724 19.777 -7.382 1.00 0.00 H new ATOM 0 HA SER A 82 5.890 18.594 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.512 16.504 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.083 16.000 -8.825 1.00 0.00 H new ATOM 0 HG SER A 82 7.226 15.615 -8.798 1.00 0.00 H new ATOM 1213 N LYS A 83 3.764 17.494 -10.408 1.00 0.00 N ATOM 1214 CA LYS A 83 2.519 17.376 -11.148 1.00 0.00 C ATOM 1215 C LYS A 83 1.801 16.092 -10.727 1.00 0.00 C ATOM 1216 O LYS A 83 0.860 16.133 -9.936 1.00 0.00 O ATOM 1217 CB LYS A 83 2.778 17.470 -12.653 1.00 0.00 C ATOM 1218 CG LYS A 83 1.847 18.493 -13.306 1.00 0.00 C ATOM 1219 CD LYS A 83 2.438 19.014 -14.618 1.00 0.00 C ATOM 1220 CE LYS A 83 1.419 18.921 -15.754 1.00 0.00 C ATOM 1221 NZ LYS A 83 2.058 19.239 -17.051 1.00 0.00 N ATOM 0 H LYS A 83 4.577 17.090 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 83 1.855 18.207 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.816 17.752 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.630 16.493 -13.113 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.876 18.036 -13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.679 19.326 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.754 20.050 -14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.327 18.438 -14.874 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.994 17.918 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.595 19.610 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.352 19.171 -17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.443 20.205 -17.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.829 18.565 -17.233 1.00 0.00 H new ATOM 1235 N LYS A 84 2.274 14.981 -11.274 1.00 0.00 N ATOM 1236 CA LYS A 84 1.689 13.687 -10.965 1.00 0.00 C ATOM 1237 C LYS A 84 2.542 12.987 -9.905 1.00 0.00 C ATOM 1238 O LYS A 84 3.742 12.796 -10.096 1.00 0.00 O ATOM 1239 CB LYS A 84 1.498 12.867 -12.242 1.00 0.00 C ATOM 1240 CG LYS A 84 2.820 12.715 -12.998 1.00 0.00 C ATOM 1241 CD LYS A 84 2.833 13.581 -14.259 1.00 0.00 C ATOM 1242 CE LYS A 84 4.238 13.653 -14.860 1.00 0.00 C ATOM 1243 NZ LYS A 84 4.168 13.967 -16.305 1.00 0.00 N ATOM 0 H LYS A 84 3.055 14.950 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 84 0.692 13.810 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.103 11.883 -11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.762 13.352 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.649 12.999 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.970 11.670 -13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.140 13.171 -14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.485 14.585 -14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.822 14.415 -14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.752 12.703 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.130 14.012 -16.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.628 13.226 -16.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.696 14.884 -16.438 1.00 0.00 H new ATOM 1257 N LEU A 85 1.888 12.623 -8.811 1.00 0.00 N ATOM 1258 CA LEU A 85 2.572 11.948 -7.721 1.00 0.00 C ATOM 1259 C LEU A 85 2.396 10.435 -7.874 1.00 0.00 C ATOM 1260 O LEU A 85 1.299 9.912 -7.682 1.00 0.00 O ATOM 1261 CB LEU A 85 2.094 12.489 -6.372 1.00 0.00 C ATOM 1262 CG LEU A 85 2.600 11.746 -5.134 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.011 11.201 -5.360 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.520 12.634 -3.891 1.00 0.00 C ATOM 0 H LEU A 85 0.893 12.783 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 85 3.642 12.151 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.397 13.533 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.004 12.472 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 85 1.949 10.889 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.347 10.677 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.003 10.510 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.690 12.026 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.886 12.082 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.132 13.523 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.485 12.930 -3.722 1.00 0.00 H new ATOM 1276 N VAL A 86 3.493 9.776 -8.217 1.00 0.00 N ATOM 1277 CA VAL A 86 3.473 8.334 -8.397 1.00 0.00 C ATOM 1278 C VAL A 86 3.967 7.658 -7.117 1.00 0.00 C ATOM 1279 O VAL A 86 5.151 7.729 -6.790 1.00 0.00 O ATOM 1280 CB VAL A 86 4.293 7.950 -9.631 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.517 6.438 -9.691 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.628 8.459 -10.911 1.00 0.00 C ATOM 0 H VAL A 86 4.401 10.213 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 86 2.456 7.985 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 86 5.269 8.429 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.102 6.192 -10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.054 6.114 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.554 5.929 -9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.231 8.173 -11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.633 8.022 -11.003 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.545 9.545 -10.871 1.00 0.00 H new ATOM 1292 N LEU A 87 3.035 7.018 -6.427 1.00 0.00 N ATOM 1293 CA LEU A 87 3.360 6.329 -5.189 1.00 0.00 C ATOM 1294 C LEU A 87 3.865 4.921 -5.511 1.00 0.00 C ATOM 1295 O LEU A 87 3.146 4.122 -6.109 1.00 0.00 O ATOM 1296 CB LEU A 87 2.165 6.350 -4.234 1.00 0.00 C ATOM 1297 CG LEU A 87 1.500 7.712 -4.022 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.546 8.802 -3.783 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.571 8.055 -5.188 1.00 0.00 C ATOM 0 H LEU A 87 2.054 6.962 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 87 4.165 6.845 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.413 5.655 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.493 5.973 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 87 0.884 7.655 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.047 9.760 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.131 8.557 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.207 8.867 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.111 9.028 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.146 8.087 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.206 7.295 -5.269 1.00 0.00 H new ATOM 1311 N SER A 88 5.098 4.661 -5.101 1.00 0.00 N ATOM 1312 CA SER A 88 5.707 3.363 -5.339 1.00 0.00 C ATOM 1313 C SER A 88 5.668 2.525 -4.060 1.00 0.00 C ATOM 1314 O SER A 88 6.498 2.705 -3.170 1.00 0.00 O ATOM 1315 CB SER A 88 7.148 3.513 -5.832 1.00 0.00 C ATOM 1316 OG SER A 88 7.206 3.998 -7.171 1.00 0.00 O ATOM 0 H SER A 88 5.691 5.327 -4.606 1.00 0.00 H new ATOM 0 HA SER A 88 5.137 2.855 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.687 4.196 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.654 2.549 -5.773 1.00 0.00 H new ATOM 0 HG SER A 88 8.142 4.082 -7.448 1.00 0.00 H new ATOM 1322 N VAL A 89 4.696 1.626 -4.009 1.00 0.00 N ATOM 1323 CA VAL A 89 4.538 0.759 -2.853 1.00 0.00 C ATOM 1324 C VAL A 89 4.927 -0.670 -3.237 1.00 0.00 C ATOM 1325 O VAL A 89 4.785 -1.067 -4.392 1.00 0.00 O ATOM 1326 CB VAL A 89 3.112 0.866 -2.310 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.033 1.886 -1.172 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.125 1.212 -3.426 1.00 0.00 C ATOM 0 H VAL A 89 4.010 1.479 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 89 5.202 1.071 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 89 2.834 -0.108 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.008 1.942 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.693 1.578 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.341 2.865 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.119 1.282 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.401 2.167 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.151 0.434 -4.189 1.00 0.00 H new ATOM 1338 N TYR A 90 5.409 -1.404 -2.245 1.00 0.00 N ATOM 1339 CA TYR A 90 5.820 -2.781 -2.464 1.00 0.00 C ATOM 1340 C TYR A 90 4.808 -3.757 -1.860 1.00 0.00 C ATOM 1341 O TYR A 90 4.597 -3.767 -0.648 1.00 0.00 O ATOM 1342 CB TYR A 90 7.159 -2.942 -1.742 1.00 0.00 C ATOM 1343 CG TYR A 90 7.459 -4.375 -1.299 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.587 -5.376 -2.240 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.600 -4.667 0.043 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.869 -6.725 -1.823 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.883 -6.016 0.460 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.003 -6.978 -0.493 1.00 0.00 C ATOM 1349 OH TYR A 90 8.269 -8.252 -0.099 1.00 0.00 O ATOM 0 H TYR A 90 5.524 -1.072 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 90 5.892 -2.995 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.958 -2.601 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.168 -2.293 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.476 -5.148 -3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.498 -3.884 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.972 -7.518 -2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.997 -6.258 1.506 1.00 0.00 H new ATOM 0 HH TYR A 90 8.340 -8.284 0.878 1.00 0.00 H new ATOM 1359 N SER A 91 4.209 -4.554 -2.733 1.00 0.00 N ATOM 1360 CA SER A 91 3.225 -5.532 -2.301 1.00 0.00 C ATOM 1361 C SER A 91 3.619 -6.925 -2.796 1.00 0.00 C ATOM 1362 O SER A 91 3.815 -7.130 -3.992 1.00 0.00 O ATOM 1363 CB SER A 91 1.827 -5.165 -2.803 1.00 0.00 C ATOM 1364 OG SER A 91 0.820 -5.998 -2.236 1.00 0.00 O ATOM 0 H SER A 91 4.386 -4.542 -3.737 1.00 0.00 H new ATOM 0 HA SER A 91 3.201 -5.535 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.616 -4.124 -2.559 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.798 -5.250 -3.889 1.00 0.00 H new ATOM 0 HG SER A 91 -0.058 -5.731 -2.580 1.00 0.00 H new ATOM 1370 N ALA A 92 3.723 -7.847 -1.849 1.00 0.00 N ATOM 1371 CA ALA A 92 4.090 -9.214 -2.174 1.00 0.00 C ATOM 1372 C ALA A 92 2.831 -10.084 -2.194 1.00 0.00 C ATOM 1373 O ALA A 92 1.768 -9.655 -1.749 1.00 0.00 O ATOM 1374 CB ALA A 92 5.130 -9.716 -1.171 1.00 0.00 C ATOM 0 H ALA A 92 3.559 -7.673 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 92 4.542 -9.265 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.405 -10.742 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.015 -9.082 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.711 -9.682 -0.165 1.00 0.00 H new ATOM 1380 N GLY A 93 2.993 -11.292 -2.715 1.00 0.00 N ATOM 1381 CA GLY A 93 1.883 -12.226 -2.799 1.00 0.00 C ATOM 1382 C GLY A 93 0.707 -11.613 -3.560 1.00 0.00 C ATOM 1383 O GLY A 93 0.759 -11.472 -4.781 1.00 0.00 O ATOM 0 H GLY A 93 3.876 -11.645 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.208 -13.139 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.564 -12.508 -1.796 1.00 0.00 H new ATOM 1387 N ARG A 94 -0.327 -11.264 -2.808 1.00 0.00 N ATOM 1388 CA ARG A 94 -1.514 -10.670 -3.397 1.00 0.00 C ATOM 1389 C ARG A 94 -2.520 -10.300 -2.305 1.00 0.00 C ATOM 1390 O ARG A 94 -2.391 -10.739 -1.163 1.00 0.00 O ATOM 1391 CB ARG A 94 -2.178 -11.629 -4.388 1.00 0.00 C ATOM 1392 CG ARG A 94 -2.565 -10.903 -5.677 1.00 0.00 C ATOM 1393 CD ARG A 94 -2.149 -11.711 -6.908 1.00 0.00 C ATOM 1394 NE ARG A 94 -1.212 -10.922 -7.739 1.00 0.00 N ATOM 1395 CZ ARG A 94 -0.347 -11.457 -8.610 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -0.293 -12.787 -8.770 1.00 0.00 N ATOM 1397 NH2 ARG A 94 0.465 -10.664 -9.322 1.00 0.00 N ATOM 0 H ARG A 94 -0.367 -11.382 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.204 -9.772 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.497 -12.449 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.066 -12.070 -3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.642 -10.735 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.089 -9.923 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.677 -12.643 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.030 -11.978 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.226 -9.907 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.911 -13.391 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.366 -13.195 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.425 -9.652 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.124 -11.072 -9.985 1.00 0.00 H new ATOM 1411 N ILE A 95 -3.499 -9.496 -2.694 1.00 0.00 N ATOM 1412 CA ILE A 95 -4.526 -9.062 -1.762 1.00 0.00 C ATOM 1413 C ILE A 95 -5.859 -9.711 -2.140 1.00 0.00 C ATOM 1414 O ILE A 95 -6.022 -10.197 -3.259 1.00 0.00 O ATOM 1415 CB ILE A 95 -4.582 -7.534 -1.700 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -4.972 -6.944 -3.056 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -3.263 -6.958 -1.181 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -6.052 -5.872 -2.898 1.00 0.00 C ATOM 0 H ILE A 95 -3.603 -9.134 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.286 -9.391 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.359 -7.249 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.093 -6.512 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.334 -7.737 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.329 -5.871 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.068 -7.341 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.451 -7.251 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.311 -5.469 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.938 -6.313 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.678 -5.069 -2.263 1.00 0.00 H new ATOM 1430 N SER A 96 -6.778 -9.699 -1.186 1.00 0.00 N ATOM 1431 CA SER A 96 -8.091 -10.281 -1.405 1.00 0.00 C ATOM 1432 C SER A 96 -9.176 -9.336 -0.884 1.00 0.00 C ATOM 1433 O SER A 96 -8.887 -8.412 -0.125 1.00 0.00 O ATOM 1434 CB SER A 96 -8.208 -11.648 -0.728 1.00 0.00 C ATOM 1435 OG SER A 96 -8.535 -12.678 -1.658 1.00 0.00 O ATOM 0 H SER A 96 -6.639 -9.295 -0.260 1.00 0.00 H new ATOM 0 HA SER A 96 -8.227 -10.424 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.267 -11.890 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.972 -11.604 0.048 1.00 0.00 H new ATOM 0 HG SER A 96 -8.599 -13.535 -1.188 1.00 0.00 H new ATOM 1441 N GLY A 97 -10.402 -9.599 -1.312 1.00 0.00 N ATOM 1442 CA GLY A 97 -11.531 -8.784 -0.898 1.00 0.00 C ATOM 1443 C GLY A 97 -12.823 -9.257 -1.566 1.00 0.00 C ATOM 1444 O GLY A 97 -12.957 -9.187 -2.787 1.00 0.00 O ATOM 0 H GLY A 97 -10.638 -10.366 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.640 -8.830 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.345 -7.741 -1.155 1.00 0.00 H new ATOM 1448 N PRO A 98 -13.767 -9.741 -0.715 1.00 0.00 N ATOM 1449 CA PRO A 98 -15.044 -10.225 -1.210 1.00 0.00 C ATOM 1450 C PRO A 98 -15.953 -9.062 -1.612 1.00 0.00 C ATOM 1451 O PRO A 98 -15.811 -7.953 -1.099 1.00 0.00 O ATOM 1452 CB PRO A 98 -15.615 -11.060 -0.076 1.00 0.00 C ATOM 1453 CG PRO A 98 -14.862 -10.636 1.174 1.00 0.00 C ATOM 1454 CD PRO A 98 -13.644 -9.839 0.737 1.00 0.00 C ATOM 0 HA PRO A 98 -14.944 -10.823 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.685 -10.887 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -15.482 -12.124 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -15.501 -10.033 1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -14.559 -11.509 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -13.629 -8.853 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.719 -10.340 1.023 1.00 0.00 H new ATOM 1462 N SER A 99 -16.867 -9.355 -2.526 1.00 0.00 N ATOM 1463 CA SER A 99 -17.799 -8.347 -3.002 1.00 0.00 C ATOM 1464 C SER A 99 -17.040 -7.233 -3.725 1.00 0.00 C ATOM 1465 O SER A 99 -16.055 -6.710 -3.207 1.00 0.00 O ATOM 1466 CB SER A 99 -18.621 -7.768 -1.849 1.00 0.00 C ATOM 1467 OG SER A 99 -20.022 -7.867 -2.089 1.00 0.00 O ATOM 0 H SER A 99 -16.982 -10.276 -2.949 1.00 0.00 H new ATOM 0 HA SER A 99 -18.488 -8.821 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.373 -8.294 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.352 -6.722 -1.701 1.00 0.00 H new ATOM 0 HG SER A 99 -20.512 -7.488 -1.329 1.00 0.00 H new ATOM 1473 N SER A 100 -17.528 -6.902 -4.912 1.00 0.00 N ATOM 1474 CA SER A 100 -16.909 -5.859 -5.711 1.00 0.00 C ATOM 1475 C SER A 100 -17.978 -5.098 -6.498 1.00 0.00 C ATOM 1476 O SER A 100 -18.197 -5.370 -7.677 1.00 0.00 O ATOM 1477 CB SER A 100 -15.864 -6.443 -6.664 1.00 0.00 C ATOM 1478 OG SER A 100 -14.535 -6.233 -6.193 1.00 0.00 O ATOM 0 H SER A 100 -18.345 -7.338 -5.339 1.00 0.00 H new ATOM 0 HA SER A 100 -16.402 -5.168 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.041 -7.512 -6.785 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.976 -5.988 -7.648 1.00 0.00 H new ATOM 0 HG SER A 100 -13.898 -6.622 -6.828 1.00 0.00 H new ATOM 1484 N GLY A 101 -18.614 -4.159 -5.813 1.00 0.00 N ATOM 1485 CA GLY A 101 -19.655 -3.357 -6.433 1.00 0.00 C ATOM 1486 C GLY A 101 -20.941 -4.167 -6.609 1.00 0.00 C ATOM 1487 O GLY A 101 -21.160 -5.151 -5.904 1.00 0.00 O ATOM 0 H GLY A 101 -18.429 -3.936 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.856 -2.478 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -19.312 -2.997 -7.403 1.00 0.00 H new TER 1491 GLY A 101