USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 150:sc= -2.37! USER MOD Set 1.2: A 77 ASN : amide:sc= -6.93! C(o=-9.3!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0803 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.773 USER MOD Single : A 6 SER OG : rot 180:sc= -0.117 USER MOD Single : A 8 ASN : amide:sc= -0.0684 K(o=-0.068,f=-0.89) USER MOD Single : A 22 MET CE :methyl -160:sc= -4.41! (180deg=-5.16!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.058) USER MOD Single : A 36 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-2.3!) USER MOD Single : A 44 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.88) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.884 K(o=-0.88,f=-2.5!) USER MOD Single : A 63 SER OG : rot -16:sc= 0.135 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 74:sc= -1.77! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 170:sc= -0.0283 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -3.62! C(o=-3.6!,f=-13!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.732 -13.746 20.215 1.00 0.00 N ATOM 2 CA GLY A 1 -30.352 -14.968 19.530 1.00 0.00 C ATOM 3 C GLY A 1 -29.312 -14.729 18.453 1.00 0.00 C ATOM 4 O GLY A 1 -28.652 -13.690 18.437 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.611 -13.871 21.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.130 -12.963 19.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.727 -13.527 20.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.962 -15.682 20.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.237 -15.420 19.082 1.00 0.00 H new ATOM 8 N SER A 2 -29.163 -15.694 17.551 1.00 0.00 N ATOM 9 CA SER A 2 -28.192 -15.586 16.469 1.00 0.00 C ATOM 10 C SER A 2 -28.850 -15.857 15.120 1.00 0.00 C ATOM 11 O SER A 2 -29.188 -16.996 14.799 1.00 0.00 O ATOM 12 CB SER A 2 -27.038 -16.566 16.692 1.00 0.00 C ATOM 13 OG SER A 2 -26.113 -16.517 15.620 1.00 0.00 O ATOM 0 H SER A 2 -29.703 -16.560 17.548 1.00 0.00 H new ATOM 0 HA SER A 2 -27.800 -14.569 16.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.530 -16.328 17.626 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.430 -17.578 16.792 1.00 0.00 H new ATOM 0 HG SER A 2 -25.385 -17.151 15.787 1.00 0.00 H new ATOM 19 N SER A 3 -29.027 -14.801 14.333 1.00 0.00 N ATOM 20 CA SER A 3 -29.648 -14.922 13.019 1.00 0.00 C ATOM 21 C SER A 3 -28.934 -14.043 11.997 1.00 0.00 C ATOM 22 O SER A 3 -28.650 -12.875 12.257 1.00 0.00 O ATOM 23 CB SER A 3 -31.127 -14.539 13.093 1.00 0.00 C ATOM 24 OG SER A 3 -31.880 -15.537 13.759 1.00 0.00 O ATOM 0 H SER A 3 -28.749 -13.852 14.582 1.00 0.00 H new ATOM 0 HA SER A 3 -29.565 -15.961 12.700 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.234 -13.589 13.616 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.519 -14.394 12.086 1.00 0.00 H new ATOM 0 HG SER A 3 -32.821 -15.267 13.794 1.00 0.00 H new ATOM 30 N GLY A 4 -28.645 -14.616 10.832 1.00 0.00 N ATOM 31 CA GLY A 4 -27.966 -13.871 9.787 1.00 0.00 C ATOM 32 C GLY A 4 -26.759 -14.607 9.242 1.00 0.00 C ATOM 33 O GLY A 4 -26.089 -15.340 9.970 1.00 0.00 O ATOM 0 H GLY A 4 -28.869 -15.582 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.664 -13.673 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.651 -12.904 10.180 1.00 0.00 H new ATOM 37 N SER A 5 -26.480 -14.413 7.957 1.00 0.00 N ATOM 38 CA SER A 5 -25.347 -15.069 7.313 1.00 0.00 C ATOM 39 C SER A 5 -24.157 -14.120 7.209 1.00 0.00 C ATOM 40 O SER A 5 -24.189 -13.147 6.455 1.00 0.00 O ATOM 41 CB SER A 5 -25.742 -15.564 5.921 1.00 0.00 C ATOM 42 OG SER A 5 -26.116 -14.485 5.082 1.00 0.00 O ATOM 0 H SER A 5 -27.022 -13.807 7.341 1.00 0.00 H new ATOM 0 HA SER A 5 -25.056 -15.922 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.908 -16.104 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.570 -16.268 6.004 1.00 0.00 H new ATOM 0 HG SER A 5 -25.678 -13.664 5.390 1.00 0.00 H new ATOM 48 N SER A 6 -23.109 -14.410 7.972 1.00 0.00 N ATOM 49 CA SER A 6 -21.909 -13.581 7.970 1.00 0.00 C ATOM 50 C SER A 6 -20.778 -14.265 7.207 1.00 0.00 C ATOM 51 O SER A 6 -20.778 -15.483 7.035 1.00 0.00 O ATOM 52 CB SER A 6 -21.465 -13.285 9.404 1.00 0.00 C ATOM 53 OG SER A 6 -20.198 -12.651 9.425 1.00 0.00 O ATOM 0 H SER A 6 -23.066 -15.213 8.600 1.00 0.00 H new ATOM 0 HA SER A 6 -22.147 -12.642 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.202 -12.647 9.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.420 -14.214 9.973 1.00 0.00 H new ATOM 0 HG SER A 6 -19.938 -12.471 10.352 1.00 0.00 H new ATOM 59 N GLY A 7 -19.814 -13.470 6.752 1.00 0.00 N ATOM 60 CA GLY A 7 -18.691 -14.015 6.012 1.00 0.00 C ATOM 61 C GLY A 7 -17.836 -12.935 5.377 1.00 0.00 C ATOM 62 O GLY A 7 -18.355 -12.018 4.743 1.00 0.00 O ATOM 0 H GLY A 7 -19.791 -12.459 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.075 -14.615 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.062 -14.684 5.235 1.00 0.00 H new ATOM 66 N ASN A 8 -16.523 -13.044 5.550 1.00 0.00 N ATOM 67 CA ASN A 8 -15.595 -12.068 4.990 1.00 0.00 C ATOM 68 C ASN A 8 -14.780 -12.681 3.856 1.00 0.00 C ATOM 69 O ASN A 8 -13.711 -13.250 4.082 1.00 0.00 O ATOM 70 CB ASN A 8 -14.659 -11.541 6.079 1.00 0.00 C ATOM 71 CG ASN A 8 -14.127 -10.156 5.764 1.00 0.00 C ATOM 72 OD1 ASN A 8 -14.846 -9.308 5.237 1.00 0.00 O ATOM 73 ND2 ASN A 8 -12.860 -9.922 6.085 1.00 0.00 N ATOM 0 H ASN A 8 -16.078 -13.798 6.073 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.177 -11.239 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.191 -11.515 7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.823 -12.230 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.446 -9.009 5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.301 -10.655 6.521 1.00 0.00 H new ATOM 80 N LEU A 9 -15.290 -12.560 2.635 1.00 0.00 N ATOM 81 CA LEU A 9 -14.610 -13.101 1.464 1.00 0.00 C ATOM 82 C LEU A 9 -14.692 -12.131 0.290 1.00 0.00 C ATOM 83 O LEU A 9 -15.572 -11.272 0.242 1.00 0.00 O ATOM 84 CB LEU A 9 -15.220 -14.448 1.072 1.00 0.00 C ATOM 85 CG LEU A 9 -14.417 -15.284 0.075 1.00 0.00 C ATOM 86 CD1 LEU A 9 -13.203 -15.901 0.751 1.00 0.00 C ATOM 87 CD2 LEU A 9 -15.293 -16.365 -0.542 1.00 0.00 C ATOM 0 H LEU A 9 -16.173 -12.092 2.431 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.560 -13.246 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.362 -15.037 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.209 -14.267 0.651 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.068 -14.627 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.644 -16.492 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.564 -15.110 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.529 -16.544 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.705 -16.950 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.672 -17.019 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.131 -15.901 -1.063 1.00 0.00 H new ATOM 99 N ASP A 10 -13.771 -12.277 -0.656 1.00 0.00 N ATOM 100 CA ASP A 10 -13.741 -11.416 -1.833 1.00 0.00 C ATOM 101 C ASP A 10 -13.378 -12.214 -3.081 1.00 0.00 C ATOM 102 O ASP A 10 -12.299 -12.799 -3.164 1.00 0.00 O ATOM 103 CB ASP A 10 -12.740 -10.276 -1.632 1.00 0.00 C ATOM 104 CG ASP A 10 -12.835 -9.660 -0.251 1.00 0.00 C ATOM 105 OD1 ASP A 10 -13.908 -9.116 0.085 1.00 0.00 O ATOM 106 OD2 ASP A 10 -11.835 -9.721 0.496 1.00 0.00 O ATOM 0 H ASP A 10 -13.035 -12.983 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.737 -10.995 -1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.729 -10.652 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.915 -9.506 -2.383 1.00 0.00 H new ATOM 111 N ALA A 11 -14.288 -12.233 -4.050 1.00 0.00 N ATOM 112 CA ALA A 11 -14.063 -12.958 -5.294 1.00 0.00 C ATOM 113 C ALA A 11 -13.343 -12.085 -6.316 1.00 0.00 C ATOM 114 O ALA A 11 -13.308 -12.404 -7.506 1.00 0.00 O ATOM 115 CB ALA A 11 -15.385 -13.457 -5.861 1.00 0.00 C ATOM 0 H ALA A 11 -15.187 -11.755 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.427 -13.816 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.202 -13.997 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.861 -14.124 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.040 -12.608 -6.058 1.00 0.00 H new ATOM 121 N LEU A 12 -12.770 -10.983 -5.847 1.00 0.00 N ATOM 122 CA LEU A 12 -12.051 -10.062 -6.720 1.00 0.00 C ATOM 123 C LEU A 12 -10.566 -10.407 -6.769 1.00 0.00 C ATOM 124 O LEU A 12 -10.023 -10.991 -5.832 1.00 0.00 O ATOM 125 CB LEU A 12 -12.236 -8.622 -6.240 1.00 0.00 C ATOM 126 CG LEU A 12 -13.466 -7.888 -6.778 1.00 0.00 C ATOM 127 CD1 LEU A 12 -14.656 -8.094 -5.854 1.00 0.00 C ATOM 128 CD2 LEU A 12 -13.170 -6.405 -6.947 1.00 0.00 C ATOM 0 H LEU A 12 -12.789 -10.705 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.462 -10.158 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.288 -8.627 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.348 -8.052 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.715 -8.302 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.522 -7.565 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.882 -9.158 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.419 -7.707 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.056 -5.899 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.896 -5.977 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.346 -6.276 -7.649 1.00 0.00 H new ATOM 140 N ARG A 13 -9.914 -10.039 -7.868 1.00 0.00 N ATOM 141 CA ARG A 13 -8.492 -10.308 -8.039 1.00 0.00 C ATOM 142 C ARG A 13 -7.673 -9.030 -7.878 1.00 0.00 C ATOM 143 O ARG A 13 -6.704 -8.808 -8.603 1.00 0.00 O ATOM 144 CB ARG A 13 -8.229 -10.925 -9.413 1.00 0.00 C ATOM 145 CG ARG A 13 -8.483 -9.971 -10.568 1.00 0.00 C ATOM 146 CD ARG A 13 -8.417 -10.687 -11.908 1.00 0.00 C ATOM 147 NE ARG A 13 -7.053 -10.761 -12.423 1.00 0.00 N ATOM 148 CZ ARG A 13 -6.181 -11.696 -12.063 1.00 0.00 C ATOM 149 NH1 ARG A 13 -6.530 -12.632 -11.191 1.00 0.00 N ATOM 150 NH2 ARG A 13 -4.957 -11.696 -12.575 1.00 0.00 N ATOM 0 H ARG A 13 -10.349 -9.554 -8.653 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.187 -11.014 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.195 -11.267 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.861 -11.805 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.463 -9.508 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.746 -9.168 -10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.819 -11.694 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.049 -10.167 -12.628 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.753 -10.056 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.470 -12.635 -10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.858 -13.349 -10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.685 -10.977 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.288 -12.415 -12.298 1.00 0.00 H new ATOM 164 N GLU A 14 -8.072 -8.194 -6.924 1.00 0.00 N ATOM 165 CA GLU A 14 -7.375 -6.938 -6.671 1.00 0.00 C ATOM 166 C GLU A 14 -6.973 -6.826 -5.203 1.00 0.00 C ATOM 167 O GLU A 14 -7.516 -7.520 -4.344 1.00 0.00 O ATOM 168 CB GLU A 14 -8.260 -5.752 -7.060 1.00 0.00 C ATOM 169 CG GLU A 14 -8.085 -5.312 -8.504 1.00 0.00 C ATOM 170 CD GLU A 14 -8.910 -6.140 -9.470 1.00 0.00 C ATOM 171 OE1 GLU A 14 -10.129 -6.283 -9.238 1.00 0.00 O ATOM 172 OE2 GLU A 14 -8.337 -6.646 -10.458 1.00 0.00 O ATOM 0 H GLU A 14 -8.872 -8.363 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.471 -6.924 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.304 -6.018 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.037 -4.911 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.367 -4.263 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.032 -5.384 -8.777 1.00 0.00 H new ATOM 179 N VAL A 15 -6.016 -5.947 -4.923 1.00 0.00 N ATOM 180 CA VAL A 15 -5.540 -5.742 -3.560 1.00 0.00 C ATOM 181 C VAL A 15 -6.122 -4.467 -2.961 1.00 0.00 C ATOM 182 O VAL A 15 -5.453 -3.764 -2.202 1.00 0.00 O ATOM 183 CB VAL A 15 -4.003 -5.666 -3.508 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.386 -6.948 -4.047 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.503 -4.457 -4.285 1.00 0.00 C ATOM 0 H VAL A 15 -5.555 -5.365 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.874 -6.599 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.697 -5.553 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.299 -6.876 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.718 -7.793 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.698 -7.095 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.415 -4.419 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.818 -4.537 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.917 -3.548 -3.849 1.00 0.00 H new ATOM 195 N LEU A 16 -7.371 -4.175 -3.305 1.00 0.00 N ATOM 196 CA LEU A 16 -8.045 -2.983 -2.800 1.00 0.00 C ATOM 197 C LEU A 16 -7.787 -2.804 -1.307 1.00 0.00 C ATOM 198 O LEU A 16 -7.875 -1.694 -0.782 1.00 0.00 O ATOM 199 CB LEU A 16 -9.549 -3.074 -3.063 1.00 0.00 C ATOM 200 CG LEU A 16 -9.962 -3.347 -4.509 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.423 -3.766 -4.577 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.717 -2.120 -5.375 1.00 0.00 C ATOM 0 H LEU A 16 -7.938 -4.747 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.643 -2.117 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.961 -3.863 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.010 -2.139 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.352 -4.165 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.699 -3.956 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.569 -4.673 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.049 -2.969 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.017 -2.333 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.301 -1.283 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.658 -1.864 -5.352 1.00 0.00 H new ATOM 214 N GLU A 17 -7.468 -3.902 -0.631 1.00 0.00 N ATOM 215 CA GLU A 17 -7.196 -3.865 0.801 1.00 0.00 C ATOM 216 C GLU A 17 -5.711 -4.081 1.080 1.00 0.00 C ATOM 217 O GLU A 17 -4.983 -4.617 0.244 1.00 0.00 O ATOM 218 CB GLU A 17 -8.023 -4.928 1.528 1.00 0.00 C ATOM 219 CG GLU A 17 -9.359 -4.416 2.038 1.00 0.00 C ATOM 220 CD GLU A 17 -10.428 -5.492 2.054 1.00 0.00 C ATOM 221 OE1 GLU A 17 -11.059 -5.717 1.001 1.00 0.00 O ATOM 222 OE2 GLU A 17 -10.633 -6.108 3.121 1.00 0.00 O ATOM 0 H GLU A 17 -7.391 -4.828 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.477 -2.879 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.198 -5.765 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.446 -5.313 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.232 -4.020 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.691 -3.589 1.410 1.00 0.00 H new ATOM 229 N CYS A 18 -5.269 -3.660 2.260 1.00 0.00 N ATOM 230 CA CYS A 18 -3.872 -3.805 2.650 1.00 0.00 C ATOM 231 C CYS A 18 -3.543 -5.262 2.962 1.00 0.00 C ATOM 232 O CYS A 18 -4.291 -5.960 3.647 1.00 0.00 O ATOM 233 CB CYS A 18 -3.567 -2.930 3.867 1.00 0.00 C ATOM 234 SG CYS A 18 -1.838 -3.023 4.435 1.00 0.00 S ATOM 0 H CYS A 18 -5.859 -3.215 2.963 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.252 -3.482 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.803 -1.894 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.224 -3.224 4.686 1.00 0.00 H new ATOM 239 N PRO A 19 -2.398 -5.734 2.447 1.00 0.00 N ATOM 240 CA PRO A 19 -1.943 -7.111 2.658 1.00 0.00 C ATOM 241 C PRO A 19 -1.515 -7.366 4.099 1.00 0.00 C ATOM 242 O PRO A 19 -1.088 -8.469 4.443 1.00 0.00 O ATOM 243 CB PRO A 19 -0.745 -7.238 1.714 1.00 0.00 C ATOM 244 CG PRO A 19 -0.245 -5.844 1.547 1.00 0.00 C ATOM 245 CD PRO A 19 -1.458 -4.958 1.621 1.00 0.00 C ATOM 0 HA PRO A 19 -2.734 -7.835 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.023 -7.887 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.039 -7.671 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.472 -5.590 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.268 -5.725 0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.225 -3.995 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.867 -4.753 0.632 1.00 0.00 H new ATOM 253 N ILE A 20 -1.633 -6.342 4.937 1.00 0.00 N ATOM 254 CA ILE A 20 -1.260 -6.457 6.341 1.00 0.00 C ATOM 255 C ILE A 20 -2.484 -6.363 7.245 1.00 0.00 C ATOM 256 O ILE A 20 -2.946 -7.367 7.789 1.00 0.00 O ATOM 257 CB ILE A 20 -0.252 -5.365 6.747 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.005 -5.452 5.878 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.106 -5.496 8.220 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.096 -4.492 6.296 1.00 0.00 C ATOM 0 H ILE A 20 -1.984 -5.423 4.668 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.794 -7.435 6.464 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.713 -4.390 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.394 -6.470 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.735 -5.253 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.819 -4.718 8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.795 -5.390 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.551 -6.475 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.956 -4.609 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.725 -3.469 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.394 -4.705 7.322 1.00 0.00 H new ATOM 272 N CYS A 21 -3.008 -5.152 7.400 1.00 0.00 N ATOM 273 CA CYS A 21 -4.180 -4.926 8.236 1.00 0.00 C ATOM 274 C CYS A 21 -5.445 -5.431 7.548 1.00 0.00 C ATOM 275 O CYS A 21 -6.439 -5.740 8.204 1.00 0.00 O ATOM 276 CB CYS A 21 -4.322 -3.437 8.560 1.00 0.00 C ATOM 277 SG CYS A 21 -4.200 -2.345 7.107 1.00 0.00 S ATOM 0 H CYS A 21 -2.639 -4.311 6.957 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.046 -5.482 9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.284 -3.272 9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.551 -3.157 9.277 1.00 0.00 H new ATOM 282 N MET A 22 -5.398 -5.511 6.222 1.00 0.00 N ATOM 283 CA MET A 22 -6.540 -5.980 5.445 1.00 0.00 C ATOM 284 C MET A 22 -7.693 -4.985 5.519 1.00 0.00 C ATOM 285 O MET A 22 -8.833 -5.361 5.789 1.00 0.00 O ATOM 286 CB MET A 22 -7.000 -7.349 5.949 1.00 0.00 C ATOM 287 CG MET A 22 -5.891 -8.389 5.982 1.00 0.00 C ATOM 288 SD MET A 22 -5.785 -9.340 4.454 1.00 0.00 S ATOM 289 CE MET A 22 -4.027 -9.252 4.121 1.00 0.00 C ATOM 0 H MET A 22 -4.583 -5.258 5.664 1.00 0.00 H new ATOM 0 HA MET A 22 -6.227 -6.070 4.405 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.413 -7.238 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.806 -7.710 5.311 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.938 -7.892 6.163 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.060 -9.069 6.817 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.845 -9.468 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.662 -8.252 4.355 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.503 -9.983 4.737 1.00 0.00 H new ATOM 299 N GLU A 23 -7.389 -3.713 5.276 1.00 0.00 N ATOM 300 CA GLU A 23 -8.401 -2.665 5.317 1.00 0.00 C ATOM 301 C GLU A 23 -8.460 -1.913 3.990 1.00 0.00 C ATOM 302 O GLU A 23 -7.431 -1.649 3.368 1.00 0.00 O ATOM 303 CB GLU A 23 -8.110 -1.687 6.457 1.00 0.00 C ATOM 304 CG GLU A 23 -8.678 -2.126 7.796 1.00 0.00 C ATOM 305 CD GLU A 23 -10.194 -2.173 7.798 1.00 0.00 C ATOM 306 OE1 GLU A 23 -10.818 -1.142 8.126 1.00 0.00 O ATOM 307 OE2 GLU A 23 -10.756 -3.240 7.474 1.00 0.00 O ATOM 0 H GLU A 23 -6.450 -3.385 5.049 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.368 -3.137 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.031 -1.564 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.521 -0.710 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.287 -3.112 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.338 -1.441 8.573 1.00 0.00 H new ATOM 314 N SER A 24 -9.671 -1.573 3.562 1.00 0.00 N ATOM 315 CA SER A 24 -9.866 -0.856 2.308 1.00 0.00 C ATOM 316 C SER A 24 -8.988 0.390 2.253 1.00 0.00 C ATOM 317 O SER A 24 -8.871 1.126 3.233 1.00 0.00 O ATOM 318 CB SER A 24 -11.336 -0.466 2.141 1.00 0.00 C ATOM 319 OG SER A 24 -11.699 -0.419 0.772 1.00 0.00 O ATOM 0 H SER A 24 -10.533 -1.783 4.066 1.00 0.00 H new ATOM 0 HA SER A 24 -9.579 -1.518 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.968 -1.184 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.512 0.507 2.601 1.00 0.00 H new ATOM 0 HG SER A 24 -12.643 -0.169 0.692 1.00 0.00 H new ATOM 325 N PHE A 25 -8.371 0.622 1.098 1.00 0.00 N ATOM 326 CA PHE A 25 -7.502 1.778 0.914 1.00 0.00 C ATOM 327 C PHE A 25 -8.323 3.051 0.728 1.00 0.00 C ATOM 328 O PHE A 25 -8.865 3.303 -0.349 1.00 0.00 O ATOM 329 CB PHE A 25 -6.586 1.567 -0.294 1.00 0.00 C ATOM 330 CG PHE A 25 -5.501 0.557 -0.054 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.703 0.634 1.077 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.278 -0.468 -0.958 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.703 -0.294 1.300 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.279 -1.399 -0.740 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.491 -1.312 0.391 1.00 0.00 C ATOM 0 H PHE A 25 -8.457 0.024 0.276 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.891 1.888 1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.188 1.247 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.131 2.520 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.864 1.428 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.892 -0.541 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.088 -0.223 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.115 -2.193 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.711 -2.038 0.564 1.00 0.00 H new ATOM 345 N THR A 26 -8.410 3.851 1.786 1.00 0.00 N ATOM 346 CA THR A 26 -9.166 5.097 1.741 1.00 0.00 C ATOM 347 C THR A 26 -8.258 6.299 1.975 1.00 0.00 C ATOM 348 O THR A 26 -7.331 6.240 2.782 1.00 0.00 O ATOM 349 CB THR A 26 -10.294 5.108 2.790 1.00 0.00 C ATOM 350 OG1 THR A 26 -10.786 6.441 2.966 1.00 0.00 O ATOM 351 CG2 THR A 26 -9.799 4.565 4.122 1.00 0.00 C ATOM 0 H THR A 26 -7.967 3.659 2.684 1.00 0.00 H new ATOM 0 HA THR A 26 -9.605 5.165 0.746 1.00 0.00 H new ATOM 0 HB THR A 26 -11.100 4.468 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.504 6.439 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.613 4.582 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.452 3.540 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.977 5.183 4.484 1.00 0.00 H new ATOM 359 N GLU A 27 -8.532 7.389 1.265 1.00 0.00 N ATOM 360 CA GLU A 27 -7.738 8.605 1.397 1.00 0.00 C ATOM 361 C GLU A 27 -8.214 9.440 2.582 1.00 0.00 C ATOM 362 O GLU A 27 -8.188 10.669 2.539 1.00 0.00 O ATOM 363 CB GLU A 27 -7.816 9.433 0.112 1.00 0.00 C ATOM 364 CG GLU A 27 -9.237 9.748 -0.323 1.00 0.00 C ATOM 365 CD GLU A 27 -9.962 10.649 0.658 1.00 0.00 C ATOM 366 OE1 GLU A 27 -9.787 11.882 0.571 1.00 0.00 O ATOM 367 OE2 GLU A 27 -10.704 10.121 1.512 1.00 0.00 O ATOM 0 H GLU A 27 -9.297 7.455 0.593 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.702 8.315 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.274 10.367 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.311 8.894 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.215 10.226 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.793 8.817 -0.435 1.00 0.00 H new ATOM 374 N GLU A 28 -8.650 8.761 3.639 1.00 0.00 N ATOM 375 CA GLU A 28 -9.133 9.440 4.836 1.00 0.00 C ATOM 376 C GLU A 28 -8.343 9.002 6.066 1.00 0.00 C ATOM 377 O GLU A 28 -7.936 9.830 6.881 1.00 0.00 O ATOM 378 CB GLU A 28 -10.622 9.155 5.045 1.00 0.00 C ATOM 379 CG GLU A 28 -11.337 10.221 5.858 1.00 0.00 C ATOM 380 CD GLU A 28 -12.842 10.182 5.676 1.00 0.00 C ATOM 381 OE1 GLU A 28 -13.344 10.834 4.737 1.00 0.00 O ATOM 382 OE2 GLU A 28 -13.517 9.498 6.473 1.00 0.00 O ATOM 0 H GLU A 28 -8.679 7.743 3.691 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.991 10.512 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.106 9.066 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.733 8.193 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.099 10.088 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.965 11.204 5.568 1.00 0.00 H new ATOM 389 N GLN A 29 -8.132 7.696 6.193 1.00 0.00 N ATOM 390 CA GLN A 29 -7.392 7.149 7.324 1.00 0.00 C ATOM 391 C GLN A 29 -6.270 6.232 6.848 1.00 0.00 C ATOM 392 O GLN A 29 -5.134 6.332 7.313 1.00 0.00 O ATOM 393 CB GLN A 29 -8.334 6.381 8.253 1.00 0.00 C ATOM 394 CG GLN A 29 -7.787 6.199 9.659 1.00 0.00 C ATOM 395 CD GLN A 29 -8.802 5.588 10.606 1.00 0.00 C ATOM 396 OE1 GLN A 29 -9.140 6.175 11.634 1.00 0.00 O ATOM 397 NE2 GLN A 29 -9.294 4.404 10.262 1.00 0.00 N ATOM 0 H GLN A 29 -8.463 6.998 5.527 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.949 7.980 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.286 6.909 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.537 5.401 7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.902 5.563 9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.468 7.166 10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.985 3.954 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.981 3.944 10.859 1.00 0.00 H new ATOM 406 N LEU A 30 -6.595 5.340 5.919 1.00 0.00 N ATOM 407 CA LEU A 30 -5.615 4.404 5.380 1.00 0.00 C ATOM 408 C LEU A 30 -5.343 4.690 3.906 1.00 0.00 C ATOM 409 O LEU A 30 -6.006 4.143 3.025 1.00 0.00 O ATOM 410 CB LEU A 30 -6.105 2.966 5.551 1.00 0.00 C ATOM 411 CG LEU A 30 -6.652 2.602 6.931 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.662 1.470 6.825 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.518 2.221 7.871 1.00 0.00 C ATOM 0 H LEU A 30 -7.530 5.245 5.523 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.685 4.531 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.885 2.779 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.280 2.292 5.320 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.159 3.476 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.040 1.225 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.490 1.780 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.181 0.592 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.926 1.965 8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.982 1.363 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.832 3.062 7.973 1.00 0.00 H new ATOM 425 N ARG A 31 -4.362 5.548 3.646 1.00 0.00 N ATOM 426 CA ARG A 31 -4.002 5.905 2.280 1.00 0.00 C ATOM 427 C ARG A 31 -3.081 4.853 1.667 1.00 0.00 C ATOM 428 O ARG A 31 -2.076 4.454 2.256 1.00 0.00 O ATOM 429 CB ARG A 31 -3.319 7.274 2.250 1.00 0.00 C ATOM 430 CG ARG A 31 -4.292 8.440 2.300 1.00 0.00 C ATOM 431 CD ARG A 31 -3.666 9.660 2.959 1.00 0.00 C ATOM 432 NE ARG A 31 -2.697 10.317 2.086 1.00 0.00 N ATOM 433 CZ ARG A 31 -3.033 10.994 0.994 1.00 0.00 C ATOM 434 NH1 ARG A 31 -4.307 11.104 0.643 1.00 0.00 N ATOM 435 NH2 ARG A 31 -2.093 11.565 0.250 1.00 0.00 N ATOM 0 H ARG A 31 -3.803 6.009 4.364 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.918 5.950 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.633 7.347 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.718 7.351 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.609 8.694 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.186 8.146 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.449 10.368 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.175 9.360 3.885 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.708 10.252 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.032 10.668 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.562 11.625 -0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.112 11.484 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.352 12.085 -0.589 1.00 0.00 H new ATOM 449 N PRO A 32 -3.432 4.392 0.458 1.00 0.00 N ATOM 450 CA PRO A 32 -2.651 3.380 -0.261 1.00 0.00 C ATOM 451 C PRO A 32 -1.310 3.920 -0.747 1.00 0.00 C ATOM 452 O PRO A 32 -1.247 4.972 -1.383 1.00 0.00 O ATOM 453 CB PRO A 32 -3.545 3.020 -1.450 1.00 0.00 C ATOM 454 CG PRO A 32 -4.394 4.226 -1.665 1.00 0.00 C ATOM 455 CD PRO A 32 -4.617 4.823 -0.303 1.00 0.00 C ATOM 0 HA PRO A 32 -2.402 2.530 0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.952 2.790 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.153 2.141 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.901 4.938 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.341 3.958 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.692 5.909 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.539 4.458 0.149 1.00 0.00 H new ATOM 463 N LYS A 33 -0.240 3.193 -0.443 1.00 0.00 N ATOM 464 CA LYS A 33 1.100 3.597 -0.850 1.00 0.00 C ATOM 465 C LYS A 33 1.842 2.438 -1.509 1.00 0.00 C ATOM 466 O LYS A 33 1.843 1.318 -0.997 1.00 0.00 O ATOM 467 CB LYS A 33 1.892 4.102 0.358 1.00 0.00 C ATOM 468 CG LYS A 33 1.125 5.093 1.217 1.00 0.00 C ATOM 469 CD LYS A 33 0.939 6.422 0.504 1.00 0.00 C ATOM 470 CE LYS A 33 2.047 7.403 0.855 1.00 0.00 C ATOM 471 NZ LYS A 33 1.722 8.787 0.414 1.00 0.00 N ATOM 0 H LYS A 33 -0.275 2.321 0.084 1.00 0.00 H new ATOM 0 HA LYS A 33 1.004 4.404 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.183 3.250 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.811 4.572 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.151 4.677 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.659 5.253 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.924 6.259 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.026 6.850 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.212 7.394 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.978 7.082 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.404 9.453 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.773 8.842 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.762 9.035 0.727 1.00 0.00 H new ATOM 485 N LEU A 34 2.472 2.715 -2.645 1.00 0.00 N ATOM 486 CA LEU A 34 3.219 1.695 -3.374 1.00 0.00 C ATOM 487 C LEU A 34 4.715 1.824 -3.110 1.00 0.00 C ATOM 488 O LEU A 34 5.286 2.909 -3.229 1.00 0.00 O ATOM 489 CB LEU A 34 2.942 1.806 -4.874 1.00 0.00 C ATOM 490 CG LEU A 34 3.063 0.510 -5.676 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.411 -0.643 -4.929 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.439 0.676 -7.054 1.00 0.00 C ATOM 0 H LEU A 34 2.481 3.637 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 34 2.890 0.717 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.935 2.201 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.630 2.537 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 34 4.121 0.281 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.507 -1.557 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.903 -0.777 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.355 -0.423 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.534 -0.256 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.384 0.929 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.951 1.474 -7.592 1.00 0.00 H new ATOM 504 N LEU A 35 5.346 0.711 -2.754 1.00 0.00 N ATOM 505 CA LEU A 35 6.778 0.698 -2.475 1.00 0.00 C ATOM 506 C LEU A 35 7.581 0.520 -3.760 1.00 0.00 C ATOM 507 O LEU A 35 7.047 0.094 -4.784 1.00 0.00 O ATOM 508 CB LEU A 35 7.116 -0.422 -1.490 1.00 0.00 C ATOM 509 CG LEU A 35 6.592 -0.243 -0.064 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.894 -1.475 0.774 1.00 0.00 C ATOM 511 CD2 LEU A 35 7.195 1.000 0.574 1.00 0.00 C ATOM 0 H LEU A 35 4.889 -0.195 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 35 7.045 1.657 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.722 -1.358 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.200 -0.526 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 35 5.510 -0.115 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.514 -1.329 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.413 -2.345 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.972 -1.635 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.811 1.111 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.280 0.903 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.926 1.878 -0.014 1.00 0.00 H new ATOM 523 N HIS A 36 8.868 0.848 -3.697 1.00 0.00 N ATOM 524 CA HIS A 36 9.746 0.722 -4.855 1.00 0.00 C ATOM 525 C HIS A 36 9.778 -0.718 -5.358 1.00 0.00 C ATOM 526 O HIS A 36 10.310 -1.000 -6.432 1.00 0.00 O ATOM 527 CB HIS A 36 11.160 1.183 -4.502 1.00 0.00 C ATOM 528 CG HIS A 36 11.259 2.651 -4.220 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.422 3.372 -4.385 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.329 3.533 -3.784 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.205 4.634 -4.060 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.942 4.758 -3.693 1.00 0.00 N ATOM 0 H HIS A 36 9.325 1.203 -2.857 1.00 0.00 H new ATOM 0 HA HIS A 36 9.353 1.357 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.506 0.630 -3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.831 0.933 -5.324 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.311 2.991 -4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.297 3.314 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.936 5.429 -4.089 1.00 0.00 H new ATOM 540 N CYS A 37 9.208 -1.627 -4.574 1.00 0.00 N ATOM 541 CA CYS A 37 9.172 -3.038 -4.938 1.00 0.00 C ATOM 542 C CYS A 37 7.933 -3.354 -5.770 1.00 0.00 C ATOM 543 O CYS A 37 8.018 -4.015 -6.804 1.00 0.00 O ATOM 544 CB CYS A 37 9.192 -3.911 -3.681 1.00 0.00 C ATOM 545 SG CYS A 37 7.785 -3.630 -2.558 1.00 0.00 S ATOM 0 H CYS A 37 8.764 -1.411 -3.681 1.00 0.00 H new ATOM 0 HA CYS A 37 10.056 -3.255 -5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.201 -4.959 -3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.119 -3.726 -3.138 1.00 0.00 H new ATOM 550 N GLY A 38 6.780 -2.875 -5.311 1.00 0.00 N ATOM 551 CA GLY A 38 5.540 -3.117 -6.024 1.00 0.00 C ATOM 552 C GLY A 38 4.378 -3.392 -5.091 1.00 0.00 C ATOM 553 O GLY A 38 3.225 -3.117 -5.425 1.00 0.00 O ATOM 0 H GLY A 38 6.683 -2.324 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.307 -2.252 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.671 -3.965 -6.696 1.00 0.00 H new ATOM 557 N HIS A 39 4.680 -3.937 -3.917 1.00 0.00 N ATOM 558 CA HIS A 39 3.651 -4.251 -2.932 1.00 0.00 C ATOM 559 C HIS A 39 2.944 -2.983 -2.463 1.00 0.00 C ATOM 560 O HIS A 39 3.565 -1.931 -2.314 1.00 0.00 O ATOM 561 CB HIS A 39 4.265 -4.979 -1.736 1.00 0.00 C ATOM 562 CG HIS A 39 4.689 -6.383 -2.042 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.922 -6.889 -1.692 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.034 -7.388 -2.668 1.00 0.00 C ATOM 565 CE1 HIS A 39 6.009 -8.146 -2.091 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.876 -8.473 -2.686 1.00 0.00 N ATOM 0 H HIS A 39 5.629 -4.170 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 39 2.916 -4.902 -3.405 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.129 -4.416 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.541 -4.996 -0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.035 -7.345 -3.077 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.861 -8.795 -1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.661 -9.383 -3.093 1.00 0.00 H new ATOM 574 N THR A 40 1.639 -3.090 -2.231 1.00 0.00 N ATOM 575 CA THR A 40 0.847 -1.953 -1.781 1.00 0.00 C ATOM 576 C THR A 40 0.480 -2.087 -0.307 1.00 0.00 C ATOM 577 O THR A 40 -0.127 -3.077 0.103 1.00 0.00 O ATOM 578 CB THR A 40 -0.444 -1.804 -2.608 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.122 -1.626 -3.991 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.269 -0.624 -2.117 1.00 0.00 C ATOM 0 H THR A 40 1.109 -3.953 -2.348 1.00 0.00 H new ATOM 0 HA THR A 40 1.463 -1.065 -1.920 1.00 0.00 H new ATOM 0 HB THR A 40 -1.033 -2.713 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.840 -1.998 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.175 -0.539 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.538 -0.778 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.685 0.292 -2.210 1.00 0.00 H new ATOM 588 N ILE A 41 0.851 -1.086 0.484 1.00 0.00 N ATOM 589 CA ILE A 41 0.559 -1.092 1.912 1.00 0.00 C ATOM 590 C ILE A 41 -0.045 0.236 2.355 1.00 0.00 C ATOM 591 O ILE A 41 0.289 1.292 1.819 1.00 0.00 O ATOM 592 CB ILE A 41 1.825 -1.371 2.744 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.602 -2.548 2.151 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.455 -1.650 4.193 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.747 -3.016 3.022 1.00 0.00 C ATOM 0 H ILE A 41 1.355 -0.260 0.160 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.162 -1.891 2.084 1.00 0.00 H new ATOM 0 HB ILE A 41 2.463 -0.488 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.917 -3.380 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.993 -2.260 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.360 -1.845 4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.940 -0.785 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.800 -2.520 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.253 -3.852 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.453 -2.198 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.361 -3.335 3.990 1.00 0.00 H new ATOM 607 N CYS A 42 -0.937 0.174 3.339 1.00 0.00 N ATOM 608 CA CYS A 42 -1.588 1.371 3.857 1.00 0.00 C ATOM 609 C CYS A 42 -0.605 2.223 4.655 1.00 0.00 C ATOM 610 O CYS A 42 0.188 1.703 5.441 1.00 0.00 O ATOM 611 CB CYS A 42 -2.779 0.989 4.737 1.00 0.00 C ATOM 612 SG CYS A 42 -2.316 0.282 6.351 1.00 0.00 S ATOM 0 H CYS A 42 -1.225 -0.693 3.793 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.944 1.956 3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.393 1.874 4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.397 0.269 4.201 1.00 0.00 H new ATOM 617 N ARG A 43 -0.663 3.535 4.448 1.00 0.00 N ATOM 618 CA ARG A 43 0.223 4.458 5.147 1.00 0.00 C ATOM 619 C ARG A 43 0.349 4.081 6.620 1.00 0.00 C ATOM 620 O ARG A 43 1.400 4.272 7.231 1.00 0.00 O ATOM 621 CB ARG A 43 -0.298 5.891 5.020 1.00 0.00 C ATOM 622 CG ARG A 43 -1.330 6.260 6.072 1.00 0.00 C ATOM 623 CD ARG A 43 -0.678 6.863 7.306 1.00 0.00 C ATOM 624 NE ARG A 43 -1.653 7.158 8.353 1.00 0.00 N ATOM 625 CZ ARG A 43 -2.365 8.278 8.400 1.00 0.00 C ATOM 626 NH1 ARG A 43 -2.211 9.205 7.464 1.00 0.00 N ATOM 627 NH2 ARG A 43 -3.233 8.474 9.384 1.00 0.00 N ATOM 0 H ARG A 43 -1.314 3.982 3.802 1.00 0.00 H new ATOM 0 HA ARG A 43 1.209 4.394 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.542 6.582 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.737 6.022 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.042 6.971 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.896 5.372 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.072 6.173 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.156 7.779 7.029 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.795 6.466 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.545 9.058 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.759 10.064 7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.354 7.764 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.779 9.335 9.418 1.00 0.00 H new ATOM 641 N GLN A 44 -0.729 3.544 7.183 1.00 0.00 N ATOM 642 CA GLN A 44 -0.738 3.141 8.584 1.00 0.00 C ATOM 643 C GLN A 44 0.352 2.111 8.861 1.00 0.00 C ATOM 644 O GLN A 44 1.099 2.228 9.833 1.00 0.00 O ATOM 645 CB GLN A 44 -2.105 2.569 8.963 1.00 0.00 C ATOM 646 CG GLN A 44 -2.047 1.548 10.088 1.00 0.00 C ATOM 647 CD GLN A 44 -3.404 1.289 10.712 1.00 0.00 C ATOM 648 OE1 GLN A 44 -3.648 1.645 11.865 1.00 0.00 O ATOM 649 NE2 GLN A 44 -4.297 0.667 9.951 1.00 0.00 N ATOM 0 H GLN A 44 -1.607 3.378 6.691 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.541 4.024 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.762 3.387 9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.551 2.104 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.644 0.611 9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.359 1.899 10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.052 0.390 9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.228 0.467 10.317 1.00 0.00 H new ATOM 658 N CYS A 45 0.437 1.101 8.002 1.00 0.00 N ATOM 659 CA CYS A 45 1.434 0.048 8.154 1.00 0.00 C ATOM 660 C CYS A 45 2.814 0.541 7.727 1.00 0.00 C ATOM 661 O CYS A 45 3.825 0.205 8.346 1.00 0.00 O ATOM 662 CB CYS A 45 1.042 -1.178 7.328 1.00 0.00 C ATOM 663 SG CYS A 45 -0.305 -2.165 8.057 1.00 0.00 S ATOM 0 H CYS A 45 -0.173 0.989 7.192 1.00 0.00 H new ATOM 0 HA CYS A 45 1.475 -0.230 9.207 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.741 -0.851 6.333 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.918 -1.814 7.203 1.00 0.00 H new ATOM 668 N LEU A 46 2.849 1.341 6.667 1.00 0.00 N ATOM 669 CA LEU A 46 4.104 1.881 6.157 1.00 0.00 C ATOM 670 C LEU A 46 4.759 2.800 7.184 1.00 0.00 C ATOM 671 O LEU A 46 5.975 2.774 7.368 1.00 0.00 O ATOM 672 CB LEU A 46 3.862 2.645 4.854 1.00 0.00 C ATOM 673 CG LEU A 46 5.109 3.003 4.044 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.446 1.890 3.064 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.907 4.320 3.309 1.00 0.00 C ATOM 0 H LEU A 46 2.022 1.630 6.144 1.00 0.00 H new ATOM 0 HA LEU A 46 4.777 1.046 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.203 2.048 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.330 3.566 5.090 1.00 0.00 H new ATOM 0 HG LEU A 46 5.946 3.119 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.336 2.162 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.634 0.967 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.610 1.742 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.804 4.559 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.058 4.232 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.714 5.114 4.031 1.00 0.00 H new ATOM 687 N GLU A 47 3.942 3.609 7.851 1.00 0.00 N ATOM 688 CA GLU A 47 4.442 4.535 8.861 1.00 0.00 C ATOM 689 C GLU A 47 5.212 3.791 9.948 1.00 0.00 C ATOM 690 O GLU A 47 6.332 4.165 10.299 1.00 0.00 O ATOM 691 CB GLU A 47 3.285 5.318 9.485 1.00 0.00 C ATOM 692 CG GLU A 47 2.875 6.542 8.684 1.00 0.00 C ATOM 693 CD GLU A 47 3.878 7.674 8.795 1.00 0.00 C ATOM 694 OE1 GLU A 47 4.992 7.535 8.249 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.549 8.699 9.429 1.00 0.00 O ATOM 0 H GLU A 47 2.932 3.642 7.711 1.00 0.00 H new ATOM 0 HA GLU A 47 5.121 5.233 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.424 4.657 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.569 5.631 10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.760 6.264 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.901 6.889 9.030 1.00 0.00 H new ATOM 702 N LYS A 48 4.604 2.735 10.478 1.00 0.00 N ATOM 703 CA LYS A 48 5.231 1.936 11.524 1.00 0.00 C ATOM 704 C LYS A 48 6.630 1.494 11.107 1.00 0.00 C ATOM 705 O LYS A 48 7.545 1.435 11.930 1.00 0.00 O ATOM 706 CB LYS A 48 4.371 0.711 11.843 1.00 0.00 C ATOM 707 CG LYS A 48 3.305 0.972 12.892 1.00 0.00 C ATOM 708 CD LYS A 48 1.989 1.391 12.258 1.00 0.00 C ATOM 709 CE LYS A 48 0.813 1.126 13.186 1.00 0.00 C ATOM 710 NZ LYS A 48 0.327 -0.278 13.077 1.00 0.00 N ATOM 0 H LYS A 48 3.677 2.413 10.200 1.00 0.00 H new ATOM 0 HA LYS A 48 5.316 2.555 12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.891 0.366 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.017 -0.096 12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.152 0.073 13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.646 1.752 13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.025 2.452 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.845 0.849 11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.109 1.329 14.215 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.000 1.812 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.475 -0.419 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.021 -0.464 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.095 -0.932 13.329 1.00 0.00 H new ATOM 724 N LEU A 49 6.790 1.185 9.825 1.00 0.00 N ATOM 725 CA LEU A 49 8.079 0.750 9.299 1.00 0.00 C ATOM 726 C LEU A 49 9.023 1.935 9.121 1.00 0.00 C ATOM 727 O LEU A 49 10.157 1.917 9.603 1.00 0.00 O ATOM 728 CB LEU A 49 7.889 0.030 7.962 1.00 0.00 C ATOM 729 CG LEU A 49 7.068 -1.260 8.006 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.740 -1.731 6.597 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.815 -2.342 8.772 1.00 0.00 C ATOM 0 H LEU A 49 6.044 1.228 9.131 1.00 0.00 H new ATOM 0 HA LEU A 49 8.523 0.060 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.410 0.719 7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.873 -0.203 7.554 1.00 0.00 H new ATOM 0 HG LEU A 49 6.132 -1.056 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.156 -2.650 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.164 -0.963 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.665 -1.919 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.216 -3.252 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.766 -2.545 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.999 -2.005 9.792 1.00 0.00 H new ATOM 743 N LEU A 50 8.548 2.964 8.429 1.00 0.00 N ATOM 744 CA LEU A 50 9.349 4.160 8.189 1.00 0.00 C ATOM 745 C LEU A 50 9.904 4.715 9.497 1.00 0.00 C ATOM 746 O LEU A 50 11.054 5.147 9.561 1.00 0.00 O ATOM 747 CB LEU A 50 8.509 5.227 7.485 1.00 0.00 C ATOM 748 CG LEU A 50 9.284 6.253 6.658 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.363 6.945 5.665 1.00 0.00 C ATOM 750 CD2 LEU A 50 9.955 7.274 7.566 1.00 0.00 C ATOM 0 H LEU A 50 7.612 2.995 8.024 1.00 0.00 H new ATOM 0 HA LEU A 50 10.187 3.884 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.796 4.726 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.929 5.760 8.239 1.00 0.00 H new ATOM 0 HG LEU A 50 10.059 5.729 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.933 7.672 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.930 6.204 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.565 7.456 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.502 7.996 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.197 7.793 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.647 6.765 8.237 1.00 0.00 H new ATOM 762 N ALA A 51 9.079 4.696 10.539 1.00 0.00 N ATOM 763 CA ALA A 51 9.489 5.193 11.847 1.00 0.00 C ATOM 764 C ALA A 51 10.791 4.541 12.298 1.00 0.00 C ATOM 765 O ALA A 51 11.821 5.204 12.417 1.00 0.00 O ATOM 766 CB ALA A 51 8.391 4.950 12.871 1.00 0.00 C ATOM 0 H ALA A 51 8.123 4.342 10.503 1.00 0.00 H new ATOM 0 HA ALA A 51 9.661 6.266 11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.710 5.326 13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.484 5.469 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.191 3.881 12.943 1.00 0.00 H new ATOM 772 N SER A 52 10.738 3.236 12.550 1.00 0.00 N ATOM 773 CA SER A 52 11.912 2.495 12.993 1.00 0.00 C ATOM 774 C SER A 52 13.081 2.706 12.036 1.00 0.00 C ATOM 775 O SER A 52 14.093 3.308 12.397 1.00 0.00 O ATOM 776 CB SER A 52 11.589 1.003 13.101 1.00 0.00 C ATOM 777 OG SER A 52 10.428 0.788 13.884 1.00 0.00 O ATOM 0 H SER A 52 9.894 2.671 12.455 1.00 0.00 H new ATOM 0 HA SER A 52 12.198 2.870 13.976 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.442 0.587 12.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.434 0.476 13.545 1.00 0.00 H new ATOM 0 HG SER A 52 10.242 -0.173 13.936 1.00 0.00 H new ATOM 783 N SER A 53 12.935 2.206 10.813 1.00 0.00 N ATOM 784 CA SER A 53 13.979 2.335 9.804 1.00 0.00 C ATOM 785 C SER A 53 14.373 3.797 9.615 1.00 0.00 C ATOM 786 O SER A 53 13.639 4.705 10.008 1.00 0.00 O ATOM 787 CB SER A 53 13.508 1.746 8.473 1.00 0.00 C ATOM 788 OG SER A 53 13.549 0.330 8.500 1.00 0.00 O ATOM 0 H SER A 53 12.103 1.708 10.497 1.00 0.00 H new ATOM 0 HA SER A 53 14.853 1.782 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.492 2.080 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.138 2.116 7.664 1.00 0.00 H new ATOM 0 HG SER A 53 13.242 -0.023 7.639 1.00 0.00 H new ATOM 794 N ILE A 54 15.536 4.016 9.011 1.00 0.00 N ATOM 795 CA ILE A 54 16.028 5.367 8.768 1.00 0.00 C ATOM 796 C ILE A 54 16.438 5.549 7.311 1.00 0.00 C ATOM 797 O ILE A 54 16.163 6.582 6.702 1.00 0.00 O ATOM 798 CB ILE A 54 17.228 5.700 9.673 1.00 0.00 C ATOM 799 CG1 ILE A 54 17.702 7.133 9.422 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.361 4.712 9.436 1.00 0.00 C ATOM 801 CD1 ILE A 54 18.526 7.704 10.554 1.00 0.00 C ATOM 0 H ILE A 54 16.155 3.276 8.681 1.00 0.00 H new ATOM 0 HA ILE A 54 15.209 6.048 9.000 1.00 0.00 H new ATOM 0 HB ILE A 54 16.913 5.619 10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.292 7.157 8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 16.833 7.771 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.202 4.961 10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.016 3.703 9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.677 4.764 8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.827 8.722 10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.932 7.713 11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.413 7.089 10.704 1.00 0.00 H new ATOM 813 N ASN A 55 17.097 4.536 6.756 1.00 0.00 N ATOM 814 CA ASN A 55 17.544 4.584 5.369 1.00 0.00 C ATOM 815 C ASN A 55 16.483 4.011 4.435 1.00 0.00 C ATOM 816 O ASN A 55 16.798 3.291 3.488 1.00 0.00 O ATOM 817 CB ASN A 55 18.854 3.810 5.207 1.00 0.00 C ATOM 818 CG ASN A 55 19.956 4.343 6.103 1.00 0.00 C ATOM 819 OD1 ASN A 55 19.899 5.483 6.564 1.00 0.00 O ATOM 820 ND2 ASN A 55 20.966 3.518 6.353 1.00 0.00 N ATOM 0 H ASN A 55 17.333 3.673 7.246 1.00 0.00 H new ATOM 0 HA ASN A 55 17.711 5.628 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.682 2.758 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.178 3.863 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 55 21.736 3.821 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.971 2.581 5.949 1.00 0.00 H new ATOM 827 N GLY A 56 15.223 4.336 4.709 1.00 0.00 N ATOM 828 CA GLY A 56 14.134 3.845 3.884 1.00 0.00 C ATOM 829 C GLY A 56 13.132 3.027 4.674 1.00 0.00 C ATOM 830 O GLY A 56 13.157 3.021 5.905 1.00 0.00 O ATOM 0 H GLY A 56 14.937 4.930 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.624 4.690 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.540 3.236 3.077 1.00 0.00 H new ATOM 834 N VAL A 57 12.246 2.335 3.965 1.00 0.00 N ATOM 835 CA VAL A 57 11.230 1.509 4.607 1.00 0.00 C ATOM 836 C VAL A 57 11.357 0.051 4.181 1.00 0.00 C ATOM 837 O VAL A 57 11.124 -0.290 3.022 1.00 0.00 O ATOM 838 CB VAL A 57 9.811 2.007 4.277 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.767 1.150 4.976 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.657 3.470 4.663 1.00 0.00 C ATOM 0 H VAL A 57 12.211 2.330 2.946 1.00 0.00 H new ATOM 0 HA VAL A 57 11.393 1.586 5.682 1.00 0.00 H new ATOM 0 HB VAL A 57 9.656 1.920 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.771 1.518 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.864 0.116 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.917 1.201 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.648 3.805 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.832 3.584 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.380 4.070 4.111 1.00 0.00 H new ATOM 850 N ARG A 58 11.728 -0.806 5.127 1.00 0.00 N ATOM 851 CA ARG A 58 11.887 -2.228 4.850 1.00 0.00 C ATOM 852 C ARG A 58 10.530 -2.901 4.666 1.00 0.00 C ATOM 853 O ARG A 58 9.695 -2.897 5.572 1.00 0.00 O ATOM 854 CB ARG A 58 12.655 -2.908 5.985 1.00 0.00 C ATOM 855 CG ARG A 58 12.743 -4.419 5.842 1.00 0.00 C ATOM 856 CD ARG A 58 13.706 -5.019 6.854 1.00 0.00 C ATOM 857 NE ARG A 58 15.098 -4.872 6.438 1.00 0.00 N ATOM 858 CZ ARG A 58 16.133 -5.168 7.217 1.00 0.00 C ATOM 859 NH1 ARG A 58 15.933 -5.625 8.445 1.00 0.00 N ATOM 860 NH2 ARG A 58 17.371 -5.007 6.767 1.00 0.00 N ATOM 0 H ARG A 58 11.924 -0.540 6.092 1.00 0.00 H new ATOM 0 HA ARG A 58 12.453 -2.331 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.663 -2.496 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.173 -2.669 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.754 -4.856 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.069 -4.672 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.564 -4.536 7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.478 -6.076 6.989 1.00 0.00 H new ATOM 0 HE ARG A 58 15.286 -4.523 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.983 -5.750 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.729 -5.851 9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.529 -4.656 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.165 -5.234 7.366 1.00 0.00 H new ATOM 874 N CYS A 59 10.316 -3.478 3.489 1.00 0.00 N ATOM 875 CA CYS A 59 9.061 -4.155 3.184 1.00 0.00 C ATOM 876 C CYS A 59 9.032 -5.551 3.799 1.00 0.00 C ATOM 877 O CYS A 59 9.926 -6.370 3.584 1.00 0.00 O ATOM 878 CB CYS A 59 8.861 -4.248 1.670 1.00 0.00 C ATOM 879 SG CYS A 59 7.241 -4.916 1.174 1.00 0.00 S ATOM 0 H CYS A 59 10.996 -3.490 2.729 1.00 0.00 H new ATOM 0 HA CYS A 59 8.248 -3.570 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.981 -3.255 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.646 -4.876 1.249 1.00 0.00 H new ATOM 884 N PRO A 60 7.980 -5.831 4.583 1.00 0.00 N ATOM 885 CA PRO A 60 7.809 -7.128 5.244 1.00 0.00 C ATOM 886 C PRO A 60 7.494 -8.246 4.256 1.00 0.00 C ATOM 887 O PRO A 60 7.272 -9.391 4.649 1.00 0.00 O ATOM 888 CB PRO A 60 6.622 -6.894 6.182 1.00 0.00 C ATOM 889 CG PRO A 60 5.856 -5.781 5.554 1.00 0.00 C ATOM 890 CD PRO A 60 6.877 -4.903 4.883 1.00 0.00 C ATOM 0 HA PRO A 60 8.717 -7.448 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.010 -7.791 6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.956 -6.628 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.134 -6.163 4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.293 -5.223 6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.480 -4.445 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.200 -4.092 5.535 1.00 0.00 H new ATOM 898 N PHE A 61 7.478 -7.906 2.971 1.00 0.00 N ATOM 899 CA PHE A 61 7.190 -8.881 1.926 1.00 0.00 C ATOM 900 C PHE A 61 8.458 -9.250 1.162 1.00 0.00 C ATOM 901 O PHE A 61 8.889 -10.404 1.170 1.00 0.00 O ATOM 902 CB PHE A 61 6.141 -8.329 0.959 1.00 0.00 C ATOM 903 CG PHE A 61 4.843 -7.970 1.624 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.205 -8.871 2.460 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.262 -6.730 1.413 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.010 -8.543 3.073 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.067 -6.395 2.023 1.00 0.00 C ATOM 908 CZ PHE A 61 2.441 -7.303 2.855 1.00 0.00 C ATOM 0 H PHE A 61 7.661 -6.963 2.629 1.00 0.00 H new ATOM 0 HA PHE A 61 6.798 -9.780 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.544 -7.445 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.950 -9.069 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.646 -9.841 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.748 -6.016 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.522 -9.255 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.624 -5.425 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.508 -7.044 3.334 1.00 0.00 H new ATOM 918 N CYS A 62 9.053 -8.262 0.502 1.00 0.00 N ATOM 919 CA CYS A 62 10.271 -8.480 -0.269 1.00 0.00 C ATOM 920 C CYS A 62 11.488 -7.933 0.471 1.00 0.00 C ATOM 921 O CYS A 62 12.620 -8.342 0.213 1.00 0.00 O ATOM 922 CB CYS A 62 10.156 -7.817 -1.643 1.00 0.00 C ATOM 923 SG CYS A 62 9.829 -6.026 -1.580 1.00 0.00 S ATOM 0 H CYS A 62 8.711 -7.301 0.486 1.00 0.00 H new ATOM 0 HA CYS A 62 10.400 -9.554 -0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 62 11.080 -7.987 -2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.356 -8.302 -2.203 1.00 0.00 H new ATOM 928 N SER A 63 11.246 -7.007 1.394 1.00 0.00 N ATOM 929 CA SER A 63 12.322 -6.401 2.169 1.00 0.00 C ATOM 930 C SER A 63 13.214 -5.540 1.280 1.00 0.00 C ATOM 931 O SER A 63 14.439 -5.663 1.305 1.00 0.00 O ATOM 932 CB SER A 63 13.158 -7.484 2.854 1.00 0.00 C ATOM 933 OG SER A 63 12.340 -8.352 3.619 1.00 0.00 O ATOM 0 H SER A 63 10.314 -6.660 1.623 1.00 0.00 H new ATOM 0 HA SER A 63 11.873 -5.763 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.701 -8.058 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.903 -7.019 3.499 1.00 0.00 H new ATOM 0 HG SER A 63 11.464 -7.936 3.761 1.00 0.00 H new ATOM 939 N LYS A 64 12.591 -4.668 0.495 1.00 0.00 N ATOM 940 CA LYS A 64 13.326 -3.785 -0.403 1.00 0.00 C ATOM 941 C LYS A 64 13.349 -2.358 0.137 1.00 0.00 C ATOM 942 O LYS A 64 12.489 -1.544 -0.201 1.00 0.00 O ATOM 943 CB LYS A 64 12.698 -3.804 -1.798 1.00 0.00 C ATOM 944 CG LYS A 64 13.157 -4.971 -2.656 1.00 0.00 C ATOM 945 CD LYS A 64 12.527 -4.929 -4.037 1.00 0.00 C ATOM 946 CE LYS A 64 12.972 -6.109 -4.889 1.00 0.00 C ATOM 947 NZ LYS A 64 12.911 -5.796 -6.343 1.00 0.00 N ATOM 0 H LYS A 64 11.578 -4.554 0.462 1.00 0.00 H new ATOM 0 HA LYS A 64 14.352 -4.147 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.613 -3.842 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.939 -2.872 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.243 -4.950 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.897 -5.909 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.441 -4.936 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.798 -3.997 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.991 -6.388 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.339 -6.970 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.222 -6.624 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.934 -5.554 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.535 -4.990 -6.551 1.00 0.00 H new ATOM 961 N ILE A 65 14.337 -2.063 0.974 1.00 0.00 N ATOM 962 CA ILE A 65 14.472 -0.733 1.557 1.00 0.00 C ATOM 963 C ILE A 65 13.964 0.340 0.601 1.00 0.00 C ATOM 964 O ILE A 65 14.470 0.486 -0.512 1.00 0.00 O ATOM 965 CB ILE A 65 15.935 -0.426 1.926 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.469 -1.476 2.902 1.00 0.00 C ATOM 967 CG2 ILE A 65 16.049 0.968 2.525 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.738 -1.498 4.226 1.00 0.00 C ATOM 0 H ILE A 65 15.056 -2.726 1.264 1.00 0.00 H new ATOM 0 HA ILE A 65 13.868 -0.723 2.464 1.00 0.00 H new ATOM 0 HB ILE A 65 16.538 -0.461 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.396 -2.460 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.527 -1.287 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 65 17.089 1.170 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.704 1.705 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.436 1.029 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.170 -2.266 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.832 -0.526 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.684 -1.718 4.056 1.00 0.00 H new ATOM 980 N THR A 66 12.961 1.093 1.043 1.00 0.00 N ATOM 981 CA THR A 66 12.384 2.154 0.228 1.00 0.00 C ATOM 982 C THR A 66 12.950 3.515 0.617 1.00 0.00 C ATOM 983 O THR A 66 12.390 4.211 1.464 1.00 0.00 O ATOM 984 CB THR A 66 10.850 2.192 0.358 1.00 0.00 C ATOM 985 OG1 THR A 66 10.323 0.861 0.334 1.00 0.00 O ATOM 986 CG2 THR A 66 10.232 3.009 -0.767 1.00 0.00 C ATOM 0 H THR A 66 12.532 0.987 1.962 1.00 0.00 H new ATOM 0 HA THR A 66 12.647 1.936 -0.807 1.00 0.00 H new ATOM 0 HB THR A 66 10.599 2.664 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.512 0.419 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.148 3.022 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.613 4.029 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.492 2.562 -1.727 1.00 0.00 H new ATOM 994 N ARG A 67 14.062 3.889 -0.007 1.00 0.00 N ATOM 995 CA ARG A 67 14.704 5.167 0.275 1.00 0.00 C ATOM 996 C ARG A 67 13.738 6.325 0.037 1.00 0.00 C ATOM 997 O ARG A 67 13.620 6.827 -1.081 1.00 0.00 O ATOM 998 CB ARG A 67 15.949 5.341 -0.596 1.00 0.00 C ATOM 999 CG ARG A 67 17.029 4.306 -0.328 1.00 0.00 C ATOM 1000 CD ARG A 67 16.893 3.105 -1.252 1.00 0.00 C ATOM 1001 NE ARG A 67 18.153 2.383 -1.401 1.00 0.00 N ATOM 1002 CZ ARG A 67 18.454 1.640 -2.460 1.00 0.00 C ATOM 1003 NH1 ARG A 67 17.588 1.522 -3.458 1.00 0.00 N ATOM 1004 NH2 ARG A 67 19.621 1.014 -2.523 1.00 0.00 N ATOM 0 H ARG A 67 14.537 3.325 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 67 15.000 5.172 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.658 5.287 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.362 6.336 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 67 18.011 4.760 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.969 3.977 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.133 2.430 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.548 3.438 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 67 18.840 2.453 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.689 2.002 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.821 0.951 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.289 1.103 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.851 0.444 -3.337 1.00 0.00 H new ATOM 1018 N ILE A 68 13.050 6.741 1.094 1.00 0.00 N ATOM 1019 CA ILE A 68 12.095 7.839 1.000 1.00 0.00 C ATOM 1020 C ILE A 68 11.887 8.505 2.356 1.00 0.00 C ATOM 1021 O ILE A 68 11.268 7.933 3.253 1.00 0.00 O ATOM 1022 CB ILE A 68 10.734 7.357 0.463 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.287 6.095 1.205 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.817 7.096 -1.033 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.787 5.990 1.367 1.00 0.00 C ATOM 0 H ILE A 68 13.136 6.335 2.026 1.00 0.00 H new ATOM 0 HA ILE A 68 12.516 8.564 0.303 1.00 0.00 H new ATOM 0 HB ILE A 68 9.994 8.139 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.649 5.219 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.753 6.078 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.848 6.756 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.096 8.015 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.567 6.329 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.542 5.072 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.421 6.847 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.315 5.975 0.385 1.00 0.00 H new ATOM 1037 N THR A 69 12.408 9.720 2.498 1.00 0.00 N ATOM 1038 CA THR A 69 12.280 10.465 3.744 1.00 0.00 C ATOM 1039 C THR A 69 10.831 10.865 3.998 1.00 0.00 C ATOM 1040 O THR A 69 10.422 11.059 5.143 1.00 0.00 O ATOM 1041 CB THR A 69 13.156 11.732 3.733 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.075 12.394 5.000 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.718 12.683 2.629 1.00 0.00 C ATOM 0 H THR A 69 12.923 10.209 1.765 1.00 0.00 H new ATOM 0 HA THR A 69 12.618 9.806 4.543 1.00 0.00 H new ATOM 0 HB THR A 69 14.187 11.433 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.636 13.198 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.351 13.570 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.808 12.186 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.680 12.975 2.791 1.00 0.00 H new ATOM 1051 N SER A 70 10.058 10.986 2.924 1.00 0.00 N ATOM 1052 CA SER A 70 8.654 11.366 3.031 1.00 0.00 C ATOM 1053 C SER A 70 7.746 10.220 2.596 1.00 0.00 C ATOM 1054 O SER A 70 8.188 9.277 1.938 1.00 0.00 O ATOM 1055 CB SER A 70 8.373 12.606 2.180 1.00 0.00 C ATOM 1056 OG SER A 70 7.129 13.191 2.526 1.00 0.00 O ATOM 0 H SER A 70 10.380 10.826 1.969 1.00 0.00 H new ATOM 0 HA SER A 70 8.444 11.596 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.172 13.334 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.369 12.333 1.125 1.00 0.00 H new ATOM 0 HG SER A 70 7.045 14.064 2.088 1.00 0.00 H new ATOM 1062 N LEU A 71 6.474 10.307 2.969 1.00 0.00 N ATOM 1063 CA LEU A 71 5.502 9.278 2.618 1.00 0.00 C ATOM 1064 C LEU A 71 5.075 9.406 1.160 1.00 0.00 C ATOM 1065 O LEU A 71 4.683 8.425 0.526 1.00 0.00 O ATOM 1066 CB LEU A 71 4.277 9.373 3.530 1.00 0.00 C ATOM 1067 CG LEU A 71 4.453 8.828 4.948 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.299 9.269 5.835 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.562 7.311 4.927 1.00 0.00 C ATOM 0 H LEU A 71 6.092 11.080 3.514 1.00 0.00 H new ATOM 0 HA LEU A 71 5.975 8.305 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.980 10.420 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.454 8.838 3.056 1.00 0.00 H new ATOM 0 HG LEU A 71 5.377 9.232 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.441 8.872 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.267 10.358 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.361 8.894 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.687 6.941 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.655 6.887 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.422 7.016 4.326 1.00 0.00 H new ATOM 1081 N THR A 72 5.155 10.623 0.630 1.00 0.00 N ATOM 1082 CA THR A 72 4.778 10.881 -0.754 1.00 0.00 C ATOM 1083 C THR A 72 5.933 10.582 -1.703 1.00 0.00 C ATOM 1084 O THR A 72 5.725 10.353 -2.894 1.00 0.00 O ATOM 1085 CB THR A 72 4.330 12.341 -0.952 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.905 12.544 -2.304 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.460 13.304 -0.621 1.00 0.00 C ATOM 0 H THR A 72 5.478 11.446 1.139 1.00 0.00 H new ATOM 0 HA THR A 72 3.943 10.219 -0.983 1.00 0.00 H new ATOM 0 HB THR A 72 3.497 12.537 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.620 13.474 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.120 14.329 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.762 13.168 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.310 13.106 -1.275 1.00 0.00 H new ATOM 1095 N GLN A 73 7.149 10.586 -1.167 1.00 0.00 N ATOM 1096 CA GLN A 73 8.337 10.316 -1.968 1.00 0.00 C ATOM 1097 C GLN A 73 8.199 8.995 -2.718 1.00 0.00 C ATOM 1098 O GLN A 73 8.415 8.932 -3.929 1.00 0.00 O ATOM 1099 CB GLN A 73 9.581 10.282 -1.078 1.00 0.00 C ATOM 1100 CG GLN A 73 10.286 11.624 -0.967 1.00 0.00 C ATOM 1101 CD GLN A 73 11.780 11.483 -0.749 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.223 10.950 0.269 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.566 11.959 -1.708 1.00 0.00 N ATOM 0 H GLN A 73 7.337 10.773 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 73 8.442 11.119 -2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.295 9.948 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.280 9.545 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.108 12.200 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.854 12.190 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.156 12.393 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.580 11.890 -1.618 1.00 0.00 H new ATOM 1112 N LEU A 74 7.837 7.943 -1.992 1.00 0.00 N ATOM 1113 CA LEU A 74 7.670 6.623 -2.590 1.00 0.00 C ATOM 1114 C LEU A 74 6.657 6.665 -3.729 1.00 0.00 C ATOM 1115 O LEU A 74 6.167 7.732 -4.100 1.00 0.00 O ATOM 1116 CB LEU A 74 7.221 5.615 -1.530 1.00 0.00 C ATOM 1117 CG LEU A 74 5.974 5.993 -0.730 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.804 6.265 -1.663 1.00 0.00 C ATOM 1119 CD2 LEU A 74 5.623 4.893 0.262 1.00 0.00 C ATOM 0 H LEU A 74 7.654 7.978 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 74 8.632 6.311 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.037 4.659 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.044 5.462 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 74 6.186 6.904 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.925 6.532 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.057 7.087 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.591 5.371 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.733 5.179 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.430 3.965 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.454 4.746 0.951 1.00 0.00 H new ATOM 1131 N THR A 75 6.345 5.496 -4.280 1.00 0.00 N ATOM 1132 CA THR A 75 5.389 5.398 -5.376 1.00 0.00 C ATOM 1133 C THR A 75 3.957 5.357 -4.855 1.00 0.00 C ATOM 1134 O THR A 75 3.610 4.509 -4.032 1.00 0.00 O ATOM 1135 CB THR A 75 5.647 4.147 -6.237 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.983 4.173 -6.750 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.657 4.070 -7.389 1.00 0.00 C ATOM 0 H THR A 75 6.741 4.603 -3.985 1.00 0.00 H new ATOM 0 HA THR A 75 5.523 6.287 -5.992 1.00 0.00 H new ATOM 0 HB THR A 75 5.517 3.266 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.140 3.374 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.859 3.179 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.642 4.021 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.760 4.955 -8.017 1.00 0.00 H new ATOM 1145 N ASP A 76 3.129 6.275 -5.340 1.00 0.00 N ATOM 1146 CA ASP A 76 1.733 6.342 -4.924 1.00 0.00 C ATOM 1147 C ASP A 76 0.930 5.194 -5.528 1.00 0.00 C ATOM 1148 O ASP A 76 1.274 4.675 -6.589 1.00 0.00 O ATOM 1149 CB ASP A 76 1.120 7.682 -5.335 1.00 0.00 C ATOM 1150 CG ASP A 76 1.973 8.862 -4.917 1.00 0.00 C ATOM 1151 OD1 ASP A 76 1.799 9.347 -3.778 1.00 0.00 O ATOM 1152 OD2 ASP A 76 2.816 9.302 -5.727 1.00 0.00 O ATOM 0 H ASP A 76 3.400 6.983 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 76 1.698 6.253 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.985 7.700 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.130 7.777 -4.889 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.139 4.802 -4.843 1.00 0.00 N ATOM 1158 CA ASN A 77 -0.990 3.714 -5.312 1.00 0.00 C ATOM 1159 C ASN A 77 -2.459 4.124 -5.289 1.00 0.00 C ATOM 1160 O ASN A 77 -3.262 3.557 -4.546 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.783 2.469 -4.447 1.00 0.00 C ATOM 1162 CG ASN A 77 -0.987 1.184 -5.226 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -0.268 0.906 -6.186 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.971 0.393 -4.815 1.00 0.00 N ATOM 0 H ASN A 77 -0.437 5.221 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.711 3.485 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.224 2.482 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.476 2.495 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.156 -0.485 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.542 0.663 -4.014 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.805 5.111 -6.108 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.178 5.597 -6.184 1.00 0.00 C ATOM 1173 C LEU A 78 -5.062 4.616 -6.949 1.00 0.00 C ATOM 1174 O LEU A 78 -6.286 4.750 -6.968 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.218 6.969 -6.858 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.363 7.125 -8.116 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.946 7.538 -7.750 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.353 5.831 -8.917 1.00 0.00 C ATOM 0 H LEU A 78 -2.153 5.591 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.562 5.687 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.253 7.195 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.900 7.717 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.800 7.909 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.352 7.644 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.970 8.489 -7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.499 6.777 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.740 5.960 -9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.941 5.028 -8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.372 5.577 -9.211 1.00 0.00 H new ATOM 1190 N THR A 79 -4.433 3.628 -7.579 1.00 0.00 N ATOM 1191 CA THR A 79 -5.161 2.625 -8.344 1.00 0.00 C ATOM 1192 C THR A 79 -6.290 2.016 -7.520 1.00 0.00 C ATOM 1193 O THR A 79 -7.414 1.871 -8.000 1.00 0.00 O ATOM 1194 CB THR A 79 -4.227 1.498 -8.825 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.967 0.543 -9.594 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.565 0.804 -7.645 1.00 0.00 C ATOM 0 H THR A 79 -3.421 3.502 -7.574 1.00 0.00 H new ATOM 0 HA THR A 79 -5.582 3.134 -9.211 1.00 0.00 H new ATOM 0 HB THR A 79 -3.450 1.941 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.366 -0.169 -9.897 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.910 0.012 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.979 1.528 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.331 0.374 -7.000 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.984 1.663 -6.276 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.974 1.072 -5.383 1.00 0.00 C ATOM 1206 C VAL A 80 -8.136 2.028 -5.141 1.00 0.00 C ATOM 1207 O VAL A 80 -9.279 1.603 -4.972 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.349 0.686 -4.029 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.368 -0.463 -4.202 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.669 1.889 -3.395 1.00 0.00 C ATOM 0 H VAL A 80 -5.058 1.776 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.345 0.172 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.145 0.354 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.937 -0.722 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.890 -1.329 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.573 -0.163 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.233 1.599 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.883 2.253 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.403 2.679 -3.234 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.836 3.322 -5.125 1.00 0.00 N ATOM 1221 CA LEU A 81 -8.856 4.341 -4.903 1.00 0.00 C ATOM 1222 C LEU A 81 -9.746 4.497 -6.132 1.00 0.00 C ATOM 1223 O LEU A 81 -10.953 4.713 -6.015 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.201 5.681 -4.561 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.116 5.642 -3.484 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.159 6.813 -3.648 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -7.741 5.652 -2.097 1.00 0.00 C ATOM 0 H LEU A 81 -6.895 3.690 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.476 4.022 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.766 6.093 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.980 6.372 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.550 4.718 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.394 6.769 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.686 6.762 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.711 7.749 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.954 5.624 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.332 6.559 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.385 4.780 -1.982 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.144 4.384 -7.311 1.00 0.00 N ATOM 1240 CA LYS A 82 -9.881 4.508 -8.562 1.00 0.00 C ATOM 1241 C LYS A 82 -10.903 3.384 -8.706 1.00 0.00 C ATOM 1242 O LYS A 82 -10.616 2.229 -8.394 1.00 0.00 O ATOM 1243 CB LYS A 82 -8.917 4.490 -9.750 1.00 0.00 C ATOM 1244 CG LYS A 82 -9.406 5.293 -10.943 1.00 0.00 C ATOM 1245 CD LYS A 82 -9.609 6.756 -10.585 1.00 0.00 C ATOM 1246 CE LYS A 82 -9.696 7.627 -11.828 1.00 0.00 C ATOM 1247 NZ LYS A 82 -10.922 7.341 -12.623 1.00 0.00 N ATOM 0 H LYS A 82 -8.146 4.206 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.413 5.459 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.952 4.882 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.755 3.458 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.685 5.213 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.344 4.873 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.521 6.865 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.785 7.096 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.690 8.677 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.815 7.463 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.943 7.956 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.916 6.345 -12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.764 7.522 -12.040 1.00 0.00 H new ATOM 1261 N SER A 83 -12.095 3.732 -9.180 1.00 0.00 N ATOM 1262 CA SER A 83 -13.160 2.752 -9.363 1.00 0.00 C ATOM 1263 C SER A 83 -13.510 2.600 -10.840 1.00 0.00 C ATOM 1264 O SER A 83 -13.647 3.586 -11.562 1.00 0.00 O ATOM 1265 CB SER A 83 -14.403 3.165 -8.572 1.00 0.00 C ATOM 1266 OG SER A 83 -14.344 2.682 -7.241 1.00 0.00 O ATOM 0 H SER A 83 -12.348 4.684 -9.444 1.00 0.00 H new ATOM 0 HA SER A 83 -12.804 1.791 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.489 4.252 -8.564 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.296 2.778 -9.063 1.00 0.00 H new ATOM 0 HG SER A 83 -15.149 2.961 -6.756 1.00 0.00 H new ATOM 1272 N GLY A 84 -13.655 1.354 -11.282 1.00 0.00 N ATOM 1273 CA GLY A 84 -13.988 1.094 -12.670 1.00 0.00 C ATOM 1274 C GLY A 84 -13.479 -0.253 -13.146 1.00 0.00 C ATOM 1275 O GLY A 84 -12.431 -0.732 -12.713 1.00 0.00 O ATOM 0 H GLY A 84 -13.548 0.521 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.070 1.135 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.565 1.880 -13.295 1.00 0.00 H new ATOM 1279 N PRO A 85 -14.233 -0.887 -14.056 1.00 0.00 N ATOM 1280 CA PRO A 85 -13.873 -2.195 -14.610 1.00 0.00 C ATOM 1281 C PRO A 85 -12.655 -2.123 -15.525 1.00 0.00 C ATOM 1282 O PRO A 85 -11.729 -2.926 -15.407 1.00 0.00 O ATOM 1283 CB PRO A 85 -15.116 -2.598 -15.406 1.00 0.00 C ATOM 1284 CG PRO A 85 -15.773 -1.309 -15.760 1.00 0.00 C ATOM 1285 CD PRO A 85 -15.495 -0.374 -14.616 1.00 0.00 C ATOM 0 HA PRO A 85 -13.600 -2.906 -13.830 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -14.848 -3.164 -16.298 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -15.778 -3.230 -14.814 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.375 -0.912 -16.694 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.845 -1.444 -15.902 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.395 0.657 -14.955 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.298 -0.391 -13.879 1.00 0.00 H new ATOM 1293 N SER A 86 -12.662 -1.155 -16.436 1.00 0.00 N ATOM 1294 CA SER A 86 -11.559 -0.980 -17.374 1.00 0.00 C ATOM 1295 C SER A 86 -10.819 0.326 -17.104 1.00 0.00 C ATOM 1296 O SER A 86 -11.246 1.396 -17.540 1.00 0.00 O ATOM 1297 CB SER A 86 -12.078 -0.998 -18.813 1.00 0.00 C ATOM 1298 OG SER A 86 -11.021 -1.212 -19.733 1.00 0.00 O ATOM 0 H SER A 86 -13.419 -0.480 -16.544 1.00 0.00 H new ATOM 0 HA SER A 86 -10.862 -1.807 -17.237 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.825 -1.784 -18.924 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.573 -0.053 -19.036 1.00 0.00 H new ATOM 0 HG SER A 86 -11.378 -1.221 -20.645 1.00 0.00 H new ATOM 1304 N SER A 87 -9.707 0.231 -16.381 1.00 0.00 N ATOM 1305 CA SER A 87 -8.909 1.405 -16.049 1.00 0.00 C ATOM 1306 C SER A 87 -8.206 1.953 -17.288 1.00 0.00 C ATOM 1307 O SER A 87 -7.486 1.231 -17.976 1.00 0.00 O ATOM 1308 CB SER A 87 -7.876 1.058 -14.975 1.00 0.00 C ATOM 1309 OG SER A 87 -6.993 2.143 -14.747 1.00 0.00 O ATOM 0 H SER A 87 -9.339 -0.647 -16.014 1.00 0.00 H new ATOM 0 HA SER A 87 -9.580 2.173 -15.664 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.385 0.798 -14.047 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.307 0.181 -15.283 1.00 0.00 H new ATOM 0 HG SER A 87 -6.344 1.897 -14.056 1.00 0.00 H new ATOM 1315 N GLY A 88 -8.422 3.235 -17.565 1.00 0.00 N ATOM 1316 CA GLY A 88 -7.803 3.859 -18.720 1.00 0.00 C ATOM 1317 C GLY A 88 -8.815 4.250 -19.779 1.00 0.00 C ATOM 1318 O GLY A 88 -9.789 4.927 -19.455 1.00 0.00 O ATOM 0 H GLY A 88 -9.015 3.853 -17.010 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.255 4.745 -18.400 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.075 3.173 -19.153 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.991 -1.979 6.502 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.635 -5.434 -1.092 1.00 0.00 ZN