USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 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 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 180:sc= 0 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 -110:sc= -0.296 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-1.3) 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= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.652 USER MOD Single : A 40 SER OG : rot 180:sc= -1.12 USER MOD Single : A 46 SER OG : rot -101:sc= 0.582 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 63 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.31) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 33:sc= 0.251 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 72 HIS : no HE2:sc= -5.16! C(o=-5.2!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 82 SER OG : rot 180:sc= 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= -2.63! 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 41:sc= 0.00366 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.466 -10.440 -20.056 1.00 0.00 N ATOM 2 CA GLY A 1 14.205 -10.200 -19.374 1.00 0.00 C ATOM 3 C GLY A 1 13.809 -11.402 -18.515 1.00 0.00 C ATOM 4 O GLY A 1 13.672 -12.515 -19.022 1.00 0.00 O ATOM 0 H1 GLY A 1 15.713 -9.610 -20.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.214 -10.608 -19.353 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.375 -11.274 -20.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.290 -9.313 -18.747 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.424 -9.999 -20.107 1.00 0.00 H new ATOM 8 N SER A 2 13.636 -11.138 -17.228 1.00 0.00 N ATOM 9 CA SER A 2 13.259 -12.184 -16.293 1.00 0.00 C ATOM 10 C SER A 2 12.019 -11.758 -15.503 1.00 0.00 C ATOM 11 O SER A 2 11.908 -10.604 -15.091 1.00 0.00 O ATOM 12 CB SER A 2 14.409 -12.512 -15.339 1.00 0.00 C ATOM 13 OG SER A 2 14.869 -11.358 -14.641 1.00 0.00 O ATOM 0 H SER A 2 13.750 -10.214 -16.811 1.00 0.00 H new ATOM 0 HA SER A 2 13.028 -13.084 -16.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.081 -13.263 -14.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.234 -12.948 -15.902 1.00 0.00 H new ATOM 0 HG SER A 2 15.602 -11.609 -14.041 1.00 0.00 H new ATOM 19 N SER A 3 11.119 -12.711 -15.316 1.00 0.00 N ATOM 20 CA SER A 3 9.892 -12.449 -14.583 1.00 0.00 C ATOM 21 C SER A 3 9.954 -13.112 -13.206 1.00 0.00 C ATOM 22 O SER A 3 10.279 -14.293 -13.096 1.00 0.00 O ATOM 23 CB SER A 3 8.671 -12.947 -15.358 1.00 0.00 C ATOM 24 OG SER A 3 8.208 -11.985 -16.302 1.00 0.00 O ATOM 0 H SER A 3 11.215 -13.667 -15.659 1.00 0.00 H new ATOM 0 HA SER A 3 9.793 -11.371 -14.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.924 -13.872 -15.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.869 -13.183 -14.658 1.00 0.00 H new ATOM 0 HG SER A 3 7.429 -12.342 -16.777 1.00 0.00 H new ATOM 30 N GLY A 4 9.635 -12.323 -12.190 1.00 0.00 N ATOM 31 CA GLY A 4 9.650 -12.819 -10.824 1.00 0.00 C ATOM 32 C GLY A 4 8.253 -12.757 -10.203 1.00 0.00 C ATOM 33 O GLY A 4 7.579 -11.732 -10.285 1.00 0.00 O ATOM 0 H GLY A 4 9.365 -11.344 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.013 -13.847 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.344 -12.228 -10.226 1.00 0.00 H new ATOM 37 N SER A 5 7.861 -13.868 -9.596 1.00 0.00 N ATOM 38 CA SER A 5 6.556 -13.953 -8.962 1.00 0.00 C ATOM 39 C SER A 5 6.572 -13.199 -7.630 1.00 0.00 C ATOM 40 O SER A 5 5.803 -12.260 -7.435 1.00 0.00 O ATOM 41 CB SER A 5 6.144 -15.410 -8.742 1.00 0.00 C ATOM 42 OG SER A 5 5.773 -16.049 -9.961 1.00 0.00 O ATOM 0 H SER A 5 8.424 -14.716 -9.530 1.00 0.00 H new ATOM 0 HA SER A 5 5.823 -13.493 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.969 -15.955 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.309 -15.449 -8.043 1.00 0.00 H new ATOM 0 HG SER A 5 5.518 -16.978 -9.779 1.00 0.00 H new ATOM 48 N SER A 6 7.457 -13.640 -6.748 1.00 0.00 N ATOM 49 CA SER A 6 7.583 -13.019 -5.440 1.00 0.00 C ATOM 50 C SER A 6 7.985 -11.551 -5.595 1.00 0.00 C ATOM 51 O SER A 6 8.834 -11.220 -6.421 1.00 0.00 O ATOM 52 CB SER A 6 8.604 -13.761 -4.575 1.00 0.00 C ATOM 53 OG SER A 6 8.197 -13.830 -3.211 1.00 0.00 O ATOM 0 H SER A 6 8.094 -14.420 -6.913 1.00 0.00 H new ATOM 0 HA SER A 6 6.616 -13.073 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.743 -14.770 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.569 -13.258 -4.641 1.00 0.00 H new ATOM 0 HG SER A 6 8.874 -14.312 -2.692 1.00 0.00 H new ATOM 59 N GLY A 7 7.357 -10.710 -4.787 1.00 0.00 N ATOM 60 CA GLY A 7 7.638 -9.285 -4.823 1.00 0.00 C ATOM 61 C GLY A 7 7.087 -8.650 -6.101 1.00 0.00 C ATOM 62 O GLY A 7 7.331 -9.145 -7.200 1.00 0.00 O ATOM 0 H GLY A 7 6.654 -10.988 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.195 -8.801 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.714 -9.121 -4.766 1.00 0.00 H new ATOM 66 N GLU A 8 6.354 -7.562 -5.914 1.00 0.00 N ATOM 67 CA GLU A 8 5.766 -6.854 -7.038 1.00 0.00 C ATOM 68 C GLU A 8 5.401 -5.424 -6.633 1.00 0.00 C ATOM 69 O GLU A 8 4.334 -5.189 -6.067 1.00 0.00 O ATOM 70 CB GLU A 8 4.544 -7.600 -7.578 1.00 0.00 C ATOM 71 CG GLU A 8 4.817 -8.162 -8.974 1.00 0.00 C ATOM 72 CD GLU A 8 3.712 -9.130 -9.402 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.366 -9.999 -8.573 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.236 -8.978 -10.548 1.00 0.00 O ATOM 0 H GLU A 8 6.154 -7.154 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 8 6.504 -6.807 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.281 -8.412 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.689 -6.925 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.887 -7.344 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.778 -8.676 -8.981 1.00 0.00 H new ATOM 81 N VAL A 9 6.307 -4.507 -6.938 1.00 0.00 N ATOM 82 CA VAL A 9 6.093 -3.107 -6.612 1.00 0.00 C ATOM 83 C VAL A 9 5.060 -2.516 -7.573 1.00 0.00 C ATOM 84 O VAL A 9 5.206 -2.623 -8.790 1.00 0.00 O ATOM 85 CB VAL A 9 7.426 -2.356 -6.632 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.209 -0.849 -6.480 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.370 -2.886 -5.550 1.00 0.00 C ATOM 0 H VAL A 9 7.191 -4.706 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 9 5.693 -3.007 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 9 7.894 -2.531 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.172 -0.339 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.591 -0.486 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.709 -0.647 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.310 -2.335 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.910 -2.756 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.563 -3.945 -5.722 1.00 0.00 H new ATOM 97 N ARG A 10 4.038 -1.906 -6.991 1.00 0.00 N ATOM 98 CA ARG A 10 2.981 -1.298 -7.780 1.00 0.00 C ATOM 99 C ARG A 10 3.209 0.210 -7.903 1.00 0.00 C ATOM 100 O ARG A 10 4.070 0.768 -7.223 1.00 0.00 O ATOM 101 CB ARG A 10 1.609 -1.549 -7.151 1.00 0.00 C ATOM 102 CG ARG A 10 1.436 -0.733 -5.868 1.00 0.00 C ATOM 103 CD ARG A 10 0.055 -0.964 -5.253 1.00 0.00 C ATOM 104 NE ARG A 10 -0.094 -2.383 -4.861 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.942 -2.817 -3.919 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.722 -1.945 -3.266 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.010 -4.124 -3.630 1.00 0.00 N ATOM 0 H ARG A 10 3.920 -1.820 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 10 3.004 -1.754 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.826 -1.286 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.495 -2.610 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.208 -1.009 -5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.568 0.327 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.076 -0.322 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.721 -0.693 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 10 0.485 -3.074 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.670 -0.950 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.368 -2.276 -2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.416 -4.788 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.655 -4.455 -2.913 1.00 0.00 H new ATOM 121 N LEU A 11 2.424 0.827 -8.773 1.00 0.00 N ATOM 122 CA LEU A 11 2.530 2.259 -8.993 1.00 0.00 C ATOM 123 C LEU A 11 1.171 2.913 -8.732 1.00 0.00 C ATOM 124 O LEU A 11 0.257 2.799 -9.548 1.00 0.00 O ATOM 125 CB LEU A 11 3.094 2.547 -10.386 1.00 0.00 C ATOM 126 CG LEU A 11 4.600 2.339 -10.556 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.063 2.791 -11.942 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.379 3.033 -9.437 1.00 0.00 C ATOM 0 H LEU A 11 1.711 0.361 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 11 3.237 2.701 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.576 1.912 -11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.858 3.579 -10.645 1.00 0.00 H new ATOM 0 HG LEU A 11 4.808 1.272 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.137 2.632 -12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.542 2.213 -12.706 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.840 3.850 -12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.447 2.870 -9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.170 4.103 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.076 2.622 -8.474 1.00 0.00 H new ATOM 140 N VAL A 12 1.081 3.582 -7.593 1.00 0.00 N ATOM 141 CA VAL A 12 -0.150 4.254 -7.215 1.00 0.00 C ATOM 142 C VAL A 12 -0.054 5.735 -7.588 1.00 0.00 C ATOM 143 O VAL A 12 1.002 6.349 -7.441 1.00 0.00 O ATOM 144 CB VAL A 12 -0.433 4.030 -5.728 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.630 4.865 -5.266 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.652 2.546 -5.429 1.00 0.00 C ATOM 0 H VAL A 12 1.841 3.673 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.996 3.836 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 12 0.442 4.359 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.810 4.687 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.420 5.922 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.514 4.580 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.851 2.415 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.502 2.180 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.241 1.984 -5.703 1.00 0.00 H new ATOM 156 N SER A 13 -1.170 6.265 -8.066 1.00 0.00 N ATOM 157 CA SER A 13 -1.225 7.662 -8.462 1.00 0.00 C ATOM 158 C SER A 13 -2.396 8.358 -7.765 1.00 0.00 C ATOM 159 O SER A 13 -3.556 8.048 -8.033 1.00 0.00 O ATOM 160 CB SER A 13 -1.354 7.799 -9.980 1.00 0.00 C ATOM 161 OG SER A 13 -1.621 9.142 -10.374 1.00 0.00 O ATOM 0 H SER A 13 -2.043 5.752 -8.188 1.00 0.00 H new ATOM 0 HA SER A 13 -0.294 8.140 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.434 7.458 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.155 7.151 -10.336 1.00 0.00 H new ATOM 0 HG SER A 13 -2.539 9.208 -10.710 1.00 0.00 H new ATOM 167 N LEU A 14 -2.052 9.287 -6.885 1.00 0.00 N ATOM 168 CA LEU A 14 -3.060 10.029 -6.148 1.00 0.00 C ATOM 169 C LEU A 14 -3.089 11.475 -6.646 1.00 0.00 C ATOM 170 O LEU A 14 -2.049 12.127 -6.732 1.00 0.00 O ATOM 171 CB LEU A 14 -2.824 9.903 -4.641 1.00 0.00 C ATOM 172 CG LEU A 14 -3.465 8.692 -3.961 1.00 0.00 C ATOM 173 CD1 LEU A 14 -4.963 8.624 -4.261 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.743 7.400 -4.349 1.00 0.00 C ATOM 0 H LEU A 14 -1.089 9.543 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.049 9.609 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.749 9.868 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.198 10.806 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.358 8.809 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.394 7.754 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.449 9.528 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.115 8.541 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.218 6.554 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.797 7.263 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.699 7.461 -4.043 1.00 0.00 H new ATOM 186 N ARG A 15 -4.291 11.935 -6.963 1.00 0.00 N ATOM 187 CA ARG A 15 -4.468 13.292 -7.451 1.00 0.00 C ATOM 188 C ARG A 15 -5.331 14.097 -6.478 1.00 0.00 C ATOM 189 O ARG A 15 -5.998 13.527 -5.616 1.00 0.00 O ATOM 190 CB ARG A 15 -5.127 13.298 -8.832 1.00 0.00 C ATOM 191 CG ARG A 15 -4.150 13.785 -9.904 1.00 0.00 C ATOM 192 CD ARG A 15 -4.287 15.292 -10.128 1.00 0.00 C ATOM 193 NE ARG A 15 -4.433 15.578 -11.573 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.467 15.167 -12.319 1.00 0.00 C ATOM 195 NH1 ARG A 15 -6.453 14.451 -11.762 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.516 15.473 -13.623 1.00 0.00 N ATOM 0 H ARG A 15 -5.151 11.392 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.481 13.748 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.472 12.294 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.006 13.942 -8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.129 13.550 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.337 13.256 -10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.152 15.672 -9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.411 15.808 -9.733 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.701 16.122 -12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.417 14.219 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.240 14.138 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.766 16.019 -14.047 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.303 15.160 -14.191 1.00 0.00 H new ATOM 210 N ARG A 16 -5.290 15.411 -6.648 1.00 0.00 N ATOM 211 CA ARG A 16 -6.060 16.300 -5.796 1.00 0.00 C ATOM 212 C ARG A 16 -5.345 16.504 -4.458 1.00 0.00 C ATOM 213 O ARG A 16 -5.046 15.539 -3.757 1.00 0.00 O ATOM 214 CB ARG A 16 -7.461 15.741 -5.538 1.00 0.00 C ATOM 215 CG ARG A 16 -8.529 16.812 -5.761 1.00 0.00 C ATOM 216 CD ARG A 16 -9.509 16.863 -4.587 1.00 0.00 C ATOM 217 NE ARG A 16 -9.455 18.192 -3.939 1.00 0.00 N ATOM 218 CZ ARG A 16 -9.762 19.342 -4.556 1.00 0.00 C ATOM 219 NH1 ARG A 16 -10.148 19.332 -5.839 1.00 0.00 N ATOM 220 NH2 ARG A 16 -9.684 20.501 -3.889 1.00 0.00 N ATOM 0 H ARG A 16 -4.735 15.881 -7.364 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.153 17.256 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.646 14.895 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.524 15.367 -4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.053 17.785 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.071 16.603 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.521 16.662 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.263 16.086 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.166 18.236 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.208 18.449 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.382 20.207 -6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.391 20.508 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.917 21.376 -4.358 1.00 0.00 H new ATOM 234 N ALA A 17 -5.093 17.766 -4.145 1.00 0.00 N ATOM 235 CA ALA A 17 -4.419 18.109 -2.904 1.00 0.00 C ATOM 236 C ALA A 17 -5.315 19.036 -2.081 1.00 0.00 C ATOM 237 O ALA A 17 -6.310 19.554 -2.587 1.00 0.00 O ATOM 238 CB ALA A 17 -3.060 18.739 -3.218 1.00 0.00 C ATOM 0 H ALA A 17 -5.343 18.564 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.234 17.215 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.554 18.996 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.451 18.029 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.206 19.641 -3.813 1.00 0.00 H new ATOM 244 N LYS A 18 -4.931 19.217 -0.826 1.00 0.00 N ATOM 245 CA LYS A 18 -5.688 20.072 0.072 1.00 0.00 C ATOM 246 C LYS A 18 -4.898 20.271 1.367 1.00 0.00 C ATOM 247 O LYS A 18 -4.183 21.261 1.516 1.00 0.00 O ATOM 248 CB LYS A 18 -7.094 19.510 0.290 1.00 0.00 C ATOM 249 CG LYS A 18 -7.878 20.364 1.288 1.00 0.00 C ATOM 250 CD LYS A 18 -9.336 20.518 0.852 1.00 0.00 C ATOM 251 CE LYS A 18 -10.164 21.211 1.936 1.00 0.00 C ATOM 252 NZ LYS A 18 -10.975 22.301 1.351 1.00 0.00 N ATOM 0 H LYS A 18 -4.105 18.786 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.829 21.058 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.626 19.474 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.027 18.486 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.837 19.905 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.415 21.347 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.384 21.095 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.760 19.537 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.816 20.486 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.504 21.613 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.531 22.761 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.347 23.001 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.618 21.909 0.634 1.00 0.00 H new ATOM 266 N ALA A 19 -5.053 19.314 2.271 1.00 0.00 N ATOM 267 CA ALA A 19 -4.363 19.372 3.548 1.00 0.00 C ATOM 268 C ALA A 19 -5.025 18.399 4.525 1.00 0.00 C ATOM 269 O ALA A 19 -4.368 17.866 5.418 1.00 0.00 O ATOM 270 CB ALA A 19 -4.366 20.811 4.066 1.00 0.00 C ATOM 0 H ALA A 19 -5.647 18.494 2.144 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.322 19.069 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.848 20.854 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.858 21.457 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.394 21.150 4.194 1.00 0.00 H new ATOM 276 N HIS A 20 -6.319 18.197 4.323 1.00 0.00 N ATOM 277 CA HIS A 20 -7.078 17.297 5.175 1.00 0.00 C ATOM 278 C HIS A 20 -7.244 15.946 4.477 1.00 0.00 C ATOM 279 O HIS A 20 -6.909 14.906 5.042 1.00 0.00 O ATOM 280 CB HIS A 20 -8.414 17.926 5.575 1.00 0.00 C ATOM 281 CG HIS A 20 -8.304 19.357 6.044 1.00 0.00 C ATOM 282 ND1 HIS A 20 -8.095 20.416 5.178 1.00 0.00 N ATOM 283 CD2 HIS A 20 -8.376 19.892 7.297 1.00 0.00 C ATOM 284 CE1 HIS A 20 -8.045 21.533 5.889 1.00 0.00 C ATOM 285 NE2 HIS A 20 -8.219 21.206 7.201 1.00 0.00 N ATOM 0 H HIS A 20 -6.861 18.641 3.582 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.532 17.122 6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.093 17.885 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.862 17.328 6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.534 19.340 8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.893 22.528 5.498 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.227 21.863 7.981 1.00 0.00 H new ATOM 293 N GLU A 21 -7.760 16.006 3.258 1.00 0.00 N ATOM 294 CA GLU A 21 -7.975 14.800 2.476 1.00 0.00 C ATOM 295 C GLU A 21 -7.078 14.804 1.237 1.00 0.00 C ATOM 296 O GLU A 21 -7.568 14.892 0.112 1.00 0.00 O ATOM 297 CB GLU A 21 -9.447 14.653 2.087 1.00 0.00 C ATOM 298 CG GLU A 21 -9.969 13.257 2.431 1.00 0.00 C ATOM 299 CD GLU A 21 -10.518 13.213 3.859 1.00 0.00 C ATOM 300 OE1 GLU A 21 -9.703 13.403 4.787 1.00 0.00 O ATOM 301 OE2 GLU A 21 -11.741 12.991 3.989 1.00 0.00 O ATOM 0 H GLU A 21 -8.035 16.871 2.793 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.709 13.940 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.041 15.405 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.564 14.836 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.752 12.974 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.166 12.528 2.324 1.00 0.00 H new ATOM 308 N GLY A 22 -5.780 14.708 1.485 1.00 0.00 N ATOM 309 CA GLY A 22 -4.810 14.700 0.403 1.00 0.00 C ATOM 310 C GLY A 22 -4.932 13.425 -0.433 1.00 0.00 C ATOM 311 O GLY A 22 -6.028 13.055 -0.853 1.00 0.00 O ATOM 0 H GLY A 22 -5.377 14.635 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.962 15.572 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.803 14.776 0.812 1.00 0.00 H new ATOM 315 N LEU A 23 -3.791 12.787 -0.651 1.00 0.00 N ATOM 316 CA LEU A 23 -3.757 11.560 -1.429 1.00 0.00 C ATOM 317 C LEU A 23 -4.882 10.634 -0.965 1.00 0.00 C ATOM 318 O LEU A 23 -5.540 9.992 -1.782 1.00 0.00 O ATOM 319 CB LEU A 23 -2.368 10.922 -1.362 1.00 0.00 C ATOM 320 CG LEU A 23 -1.191 11.889 -1.219 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.139 11.175 -1.468 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.368 13.105 -2.131 1.00 0.00 C ATOM 0 H LEU A 23 -2.884 13.097 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.935 11.773 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.348 10.230 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.218 10.330 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.172 12.255 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.959 11.885 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.260 10.368 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.147 10.762 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.518 13.777 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.426 12.776 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.286 13.629 -1.864 1.00 0.00 H new ATOM 334 N GLY A 24 -5.070 10.595 0.346 1.00 0.00 N ATOM 335 CA GLY A 24 -6.105 9.758 0.930 1.00 0.00 C ATOM 336 C GLY A 24 -5.499 8.702 1.856 1.00 0.00 C ATOM 337 O GLY A 24 -6.224 7.936 2.489 1.00 0.00 O ATOM 0 H GLY A 24 -4.523 11.130 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.806 10.378 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.673 9.270 0.138 1.00 0.00 H new ATOM 341 N PHE A 25 -4.175 8.695 1.907 1.00 0.00 N ATOM 342 CA PHE A 25 -3.463 7.746 2.745 1.00 0.00 C ATOM 343 C PHE A 25 -2.363 8.442 3.549 1.00 0.00 C ATOM 344 O PHE A 25 -1.589 9.225 3.001 1.00 0.00 O ATOM 345 CB PHE A 25 -2.822 6.717 1.811 1.00 0.00 C ATOM 346 CG PHE A 25 -1.626 7.253 1.022 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.418 7.396 1.630 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.771 7.586 -0.289 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.692 7.894 0.898 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.661 8.084 -1.022 1.00 0.00 C ATOM 351 CZ PHE A 25 0.547 8.227 -0.413 1.00 0.00 C ATOM 0 H PHE A 25 -3.577 9.332 1.381 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.153 7.282 3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.500 5.858 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.576 6.359 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.303 7.131 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.730 7.472 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.651 8.008 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.776 8.349 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.391 8.605 -0.970 1.00 0.00 H new ATOM 361 N SER A 26 -2.328 8.130 4.836 1.00 0.00 N ATOM 362 CA SER A 26 -1.335 8.716 5.722 1.00 0.00 C ATOM 363 C SER A 26 -0.074 7.851 5.738 1.00 0.00 C ATOM 364 O SER A 26 -0.147 6.636 5.557 1.00 0.00 O ATOM 365 CB SER A 26 -1.888 8.875 7.139 1.00 0.00 C ATOM 366 OG SER A 26 -1.958 10.243 7.534 1.00 0.00 O ATOM 0 H SER A 26 -2.971 7.479 5.287 1.00 0.00 H new ATOM 0 HA SER A 26 -1.083 9.708 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.882 8.431 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.256 8.327 7.838 1.00 0.00 H new ATOM 0 HG SER A 26 -2.318 10.303 8.444 1.00 0.00 H new ATOM 372 N ILE A 27 1.055 8.510 5.957 1.00 0.00 N ATOM 373 CA ILE A 27 2.331 7.817 5.999 1.00 0.00 C ATOM 374 C ILE A 27 2.904 7.899 7.416 1.00 0.00 C ATOM 375 O ILE A 27 2.518 8.768 8.196 1.00 0.00 O ATOM 376 CB ILE A 27 3.272 8.360 4.922 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.671 9.807 5.222 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.655 8.212 3.530 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.131 10.062 4.844 1.00 0.00 C ATOM 0 H ILE A 27 1.112 9.517 6.107 1.00 0.00 H new ATOM 0 HA ILE A 27 2.198 6.760 5.769 1.00 0.00 H new ATOM 0 HB ILE A 27 4.185 7.765 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.024 10.488 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.524 10.016 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.344 8.606 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.463 7.158 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.718 8.766 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.389 11.097 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.777 9.396 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.269 9.875 3.779 1.00 0.00 H new ATOM 391 N ARG A 28 3.816 6.982 7.705 1.00 0.00 N ATOM 392 CA ARG A 28 4.446 6.940 9.013 1.00 0.00 C ATOM 393 C ARG A 28 5.900 6.481 8.887 1.00 0.00 C ATOM 394 O ARG A 28 6.354 6.138 7.797 1.00 0.00 O ATOM 395 CB ARG A 28 3.699 5.993 9.954 1.00 0.00 C ATOM 396 CG ARG A 28 3.627 4.582 9.368 1.00 0.00 C ATOM 397 CD ARG A 28 2.985 3.609 10.359 1.00 0.00 C ATOM 398 NE ARG A 28 3.792 2.371 10.449 1.00 0.00 N ATOM 399 CZ ARG A 28 3.439 1.294 11.163 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.291 1.295 11.854 1.00 0.00 N ATOM 401 NH2 ARG A 28 4.234 0.215 11.186 1.00 0.00 N ATOM 0 H ARG A 28 4.133 6.263 7.055 1.00 0.00 H new ATOM 0 HA ARG A 28 4.414 7.947 9.429 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.202 5.964 10.921 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.691 6.369 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.051 4.598 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.630 4.239 9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.909 4.075 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.971 3.369 10.040 1.00 0.00 H new ATOM 0 HE ARG A 28 4.672 2.336 9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.686 2.116 11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.022 0.475 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.108 0.214 10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.965 -0.605 11.730 1.00 0.00 H new ATOM 415 N GLY A 29 6.590 6.489 10.019 1.00 0.00 N ATOM 416 CA GLY A 29 7.983 6.078 10.049 1.00 0.00 C ATOM 417 C GLY A 29 8.907 7.244 9.691 1.00 0.00 C ATOM 418 O GLY A 29 8.891 8.280 10.354 1.00 0.00 O ATOM 0 H GLY A 29 6.210 6.774 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.234 5.702 11.041 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.139 5.258 9.349 1.00 0.00 H new ATOM 422 N GLY A 30 9.690 7.036 8.643 1.00 0.00 N ATOM 423 CA GLY A 30 10.619 8.057 8.189 1.00 0.00 C ATOM 424 C GLY A 30 11.924 8.005 8.986 1.00 0.00 C ATOM 425 O GLY A 30 11.996 7.347 10.023 1.00 0.00 O ATOM 0 H GLY A 30 9.700 6.176 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.830 7.916 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.163 9.041 8.295 1.00 0.00 H new ATOM 429 N SER A 31 12.923 8.707 8.472 1.00 0.00 N ATOM 430 CA SER A 31 14.221 8.749 9.123 1.00 0.00 C ATOM 431 C SER A 31 14.050 9.050 10.613 1.00 0.00 C ATOM 432 O SER A 31 14.671 8.404 11.456 1.00 0.00 O ATOM 433 CB SER A 31 15.131 9.793 8.472 1.00 0.00 C ATOM 434 OG SER A 31 16.473 9.698 8.940 1.00 0.00 O ATOM 0 H SER A 31 12.860 9.251 7.612 1.00 0.00 H new ATOM 0 HA SER A 31 14.692 7.773 9.008 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.115 9.664 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.744 10.791 8.680 1.00 0.00 H new ATOM 0 HG SER A 31 17.022 10.380 8.500 1.00 0.00 H new ATOM 440 N GLU A 32 13.204 10.030 10.893 1.00 0.00 N ATOM 441 CA GLU A 32 12.943 10.425 12.267 1.00 0.00 C ATOM 442 C GLU A 32 12.668 9.191 13.130 1.00 0.00 C ATOM 443 O GLU A 32 13.117 9.117 14.273 1.00 0.00 O ATOM 444 CB GLU A 32 11.780 11.416 12.341 1.00 0.00 C ATOM 445 CG GLU A 32 10.483 10.779 11.837 1.00 0.00 C ATOM 446 CD GLU A 32 9.320 11.770 11.912 1.00 0.00 C ATOM 447 OE1 GLU A 32 9.332 12.721 11.102 1.00 0.00 O ATOM 448 OE2 GLU A 32 8.445 11.553 12.778 1.00 0.00 O ATOM 0 H GLU A 32 12.690 10.563 10.191 1.00 0.00 H new ATOM 0 HA GLU A 32 13.829 10.926 12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.649 11.752 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.011 12.299 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.614 10.444 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.252 9.896 12.433 1.00 0.00 H new ATOM 455 N HIS A 33 11.933 8.254 12.550 1.00 0.00 N ATOM 456 CA HIS A 33 11.594 7.028 13.251 1.00 0.00 C ATOM 457 C HIS A 33 12.759 6.042 13.155 1.00 0.00 C ATOM 458 O HIS A 33 12.986 5.252 14.070 1.00 0.00 O ATOM 459 CB HIS A 33 10.280 6.447 12.725 1.00 0.00 C ATOM 460 CG HIS A 33 9.081 6.757 13.589 1.00 0.00 C ATOM 461 ND1 HIS A 33 8.374 5.781 14.269 1.00 0.00 N ATOM 462 CD2 HIS A 33 8.473 7.944 13.877 1.00 0.00 C ATOM 463 CE1 HIS A 33 7.386 6.365 14.932 1.00 0.00 C ATOM 464 NE2 HIS A 33 7.450 7.705 14.688 1.00 0.00 N ATOM 0 H HIS A 33 11.563 8.319 11.602 1.00 0.00 H new ATOM 0 HA HIS A 33 11.432 7.242 14.307 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.101 6.832 11.721 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.382 5.365 12.638 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.773 8.913 13.508 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.658 5.867 15.556 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.816 8.408 15.067 1.00 0.00 H new ATOM 472 N GLY A 34 13.468 6.120 12.038 1.00 0.00 N ATOM 473 CA GLY A 34 14.604 5.244 11.810 1.00 0.00 C ATOM 474 C GLY A 34 14.266 4.164 10.780 1.00 0.00 C ATOM 475 O GLY A 34 14.875 3.095 10.774 1.00 0.00 O ATOM 0 H GLY A 34 13.277 6.777 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.455 5.829 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.901 4.776 12.749 1.00 0.00 H new ATOM 479 N VAL A 35 13.297 4.481 9.935 1.00 0.00 N ATOM 480 CA VAL A 35 12.871 3.551 8.903 1.00 0.00 C ATOM 481 C VAL A 35 12.660 4.311 7.592 1.00 0.00 C ATOM 482 O VAL A 35 13.317 5.321 7.344 1.00 0.00 O ATOM 483 CB VAL A 35 11.622 2.795 9.363 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.355 3.603 9.074 1.00 0.00 C ATOM 485 CG2 VAL A 35 11.550 1.411 8.715 1.00 0.00 C ATOM 0 H VAL A 35 12.794 5.369 9.943 1.00 0.00 H new ATOM 0 HA VAL A 35 13.642 2.801 8.724 1.00 0.00 H new ATOM 0 HB VAL A 35 11.692 2.656 10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.482 3.044 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.402 4.555 9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.277 3.787 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.654 0.895 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.514 1.518 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.431 0.833 8.993 1.00 0.00 H new ATOM 495 N GLY A 36 11.741 3.798 6.788 1.00 0.00 N ATOM 496 CA GLY A 36 11.436 4.416 5.509 1.00 0.00 C ATOM 497 C GLY A 36 10.090 5.143 5.559 1.00 0.00 C ATOM 498 O GLY A 36 9.891 6.033 6.383 1.00 0.00 O ATOM 0 H GLY A 36 11.197 2.961 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.224 5.121 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.414 3.655 4.729 1.00 0.00 H new ATOM 502 N ILE A 37 9.201 4.735 4.665 1.00 0.00 N ATOM 503 CA ILE A 37 7.879 5.336 4.597 1.00 0.00 C ATOM 504 C ILE A 37 6.826 4.232 4.499 1.00 0.00 C ATOM 505 O ILE A 37 6.805 3.472 3.532 1.00 0.00 O ATOM 506 CB ILE A 37 7.812 6.353 3.455 1.00 0.00 C ATOM 507 CG1 ILE A 37 8.908 7.411 3.598 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.419 6.979 3.360 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.537 8.444 4.663 1.00 0.00 C ATOM 0 H ILE A 37 9.370 3.996 3.982 1.00 0.00 H new ATOM 0 HA ILE A 37 7.668 5.898 5.507 1.00 0.00 H new ATOM 0 HB ILE A 37 7.993 5.827 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.849 6.931 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.064 7.910 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.398 7.698 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.681 6.198 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.184 7.488 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.333 9.184 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.608 8.939 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.406 7.945 5.623 1.00 0.00 H new ATOM 521 N TYR A 38 5.976 4.177 5.515 1.00 0.00 N ATOM 522 CA TYR A 38 4.922 3.178 5.556 1.00 0.00 C ATOM 523 C TYR A 38 3.549 3.835 5.702 1.00 0.00 C ATOM 524 O TYR A 38 3.431 4.913 6.283 1.00 0.00 O ATOM 525 CB TYR A 38 5.200 2.323 6.795 1.00 0.00 C ATOM 526 CG TYR A 38 6.560 1.624 6.776 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.046 1.091 5.600 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.302 1.527 7.936 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.327 0.433 5.583 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.583 0.869 7.919 1.00 0.00 C ATOM 531 CZ TYR A 38 9.032 0.354 6.743 1.00 0.00 C ATOM 532 OH TYR A 38 10.242 -0.267 6.727 1.00 0.00 O ATOM 0 H TYR A 38 5.996 4.808 6.316 1.00 0.00 H new ATOM 0 HA TYR A 38 4.912 2.592 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.140 2.955 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.417 1.570 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.466 1.167 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.922 1.945 8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.719 0.012 4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.174 0.786 8.819 1.00 0.00 H new ATOM 0 HH TYR A 38 10.653 -0.161 5.843 1.00 0.00 H new ATOM 542 N VAL A 39 2.544 3.159 5.165 1.00 0.00 N ATOM 543 CA VAL A 39 1.183 3.664 5.228 1.00 0.00 C ATOM 544 C VAL A 39 0.602 3.380 6.615 1.00 0.00 C ATOM 545 O VAL A 39 0.652 2.247 7.092 1.00 0.00 O ATOM 546 CB VAL A 39 0.349 3.063 4.095 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.039 3.705 4.036 1.00 0.00 C ATOM 548 CG2 VAL A 39 1.071 3.194 2.753 1.00 0.00 C ATOM 0 H VAL A 39 2.645 2.265 4.684 1.00 0.00 H new ATOM 0 HA VAL A 39 1.169 4.745 5.085 1.00 0.00 H new ATOM 0 HB VAL A 39 0.219 2.001 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.611 3.260 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.558 3.536 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.937 4.777 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.456 2.759 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.247 4.248 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.025 2.669 2.800 1.00 0.00 H new ATOM 558 N SER A 40 0.064 4.427 7.222 1.00 0.00 N ATOM 559 CA SER A 40 -0.525 4.304 8.544 1.00 0.00 C ATOM 560 C SER A 40 -2.049 4.224 8.432 1.00 0.00 C ATOM 561 O SER A 40 -2.687 3.445 9.139 1.00 0.00 O ATOM 562 CB SER A 40 -0.121 5.477 9.439 1.00 0.00 C ATOM 563 OG SER A 40 -0.937 6.624 9.218 1.00 0.00 O ATOM 0 H SER A 40 0.024 5.365 6.823 1.00 0.00 H new ATOM 0 HA SER A 40 -0.151 3.388 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.193 5.177 10.484 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.922 5.733 9.252 1.00 0.00 H new ATOM 0 HG SER A 40 -0.648 7.350 9.810 1.00 0.00 H new ATOM 569 N LEU A 41 -2.589 5.039 7.538 1.00 0.00 N ATOM 570 CA LEU A 41 -4.026 5.070 7.324 1.00 0.00 C ATOM 571 C LEU A 41 -4.311 5.187 5.825 1.00 0.00 C ATOM 572 O LEU A 41 -3.532 5.785 5.086 1.00 0.00 O ATOM 573 CB LEU A 41 -4.668 6.177 8.161 1.00 0.00 C ATOM 574 CG LEU A 41 -6.119 6.521 7.818 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.214 7.194 6.447 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.013 5.282 7.911 1.00 0.00 C ATOM 0 H LEU A 41 -2.057 5.683 6.953 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.483 4.140 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.623 5.885 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.067 7.080 8.056 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.483 7.237 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.256 7.428 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.629 8.114 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.825 6.521 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.039 5.554 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.659 4.525 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.979 4.884 8.925 1.00 0.00 H new ATOM 588 N VAL A 42 -5.431 4.605 5.422 1.00 0.00 N ATOM 589 CA VAL A 42 -5.829 4.636 4.025 1.00 0.00 C ATOM 590 C VAL A 42 -7.320 4.969 3.931 1.00 0.00 C ATOM 591 O VAL A 42 -8.142 4.344 4.598 1.00 0.00 O ATOM 592 CB VAL A 42 -5.469 3.312 3.348 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.393 3.034 2.161 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.002 3.298 2.916 1.00 0.00 C ATOM 0 H VAL A 42 -6.075 4.109 6.038 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.287 5.416 3.491 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.611 2.514 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.115 2.087 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.425 2.980 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.298 3.837 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.773 2.346 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.822 4.110 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.364 3.428 3.790 1.00 0.00 H new ATOM 604 N GLU A 43 -7.622 5.954 3.098 1.00 0.00 N ATOM 605 CA GLU A 43 -8.999 6.378 2.908 1.00 0.00 C ATOM 606 C GLU A 43 -9.783 5.309 2.145 1.00 0.00 C ATOM 607 O GLU A 43 -9.405 4.928 1.038 1.00 0.00 O ATOM 608 CB GLU A 43 -9.063 7.726 2.186 1.00 0.00 C ATOM 609 CG GLU A 43 -9.012 8.885 3.183 1.00 0.00 C ATOM 610 CD GLU A 43 -10.372 9.578 3.289 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.247 9.009 3.977 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.505 10.661 2.679 1.00 0.00 O ATOM 0 H GLU A 43 -6.937 6.471 2.547 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.458 6.506 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.232 7.807 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.980 7.786 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.712 8.513 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.256 9.605 2.870 1.00 0.00 H new ATOM 619 N PRO A 44 -10.890 4.843 2.783 1.00 0.00 N ATOM 620 CA PRO A 44 -11.731 3.825 2.176 1.00 0.00 C ATOM 621 C PRO A 44 -12.585 4.418 1.054 1.00 0.00 C ATOM 622 O PRO A 44 -12.803 5.628 1.007 1.00 0.00 O ATOM 623 CB PRO A 44 -12.560 3.266 3.321 1.00 0.00 C ATOM 624 CG PRO A 44 -12.490 4.302 4.431 1.00 0.00 C ATOM 625 CD PRO A 44 -11.369 5.271 4.094 1.00 0.00 C ATOM 0 HA PRO A 44 -11.155 3.034 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.591 3.096 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.166 2.307 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.439 4.832 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.303 3.821 5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.729 6.299 4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.574 5.231 4.838 1.00 0.00 H new ATOM 633 N GLY A 45 -13.046 3.538 0.176 1.00 0.00 N ATOM 634 CA GLY A 45 -13.871 3.959 -0.943 1.00 0.00 C ATOM 635 C GLY A 45 -13.270 5.183 -1.638 1.00 0.00 C ATOM 636 O GLY A 45 -13.984 5.945 -2.287 1.00 0.00 O ATOM 0 H GLY A 45 -12.863 2.535 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.966 3.141 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.876 4.193 -0.591 1.00 0.00 H new ATOM 640 N SER A 46 -11.963 5.332 -1.478 1.00 0.00 N ATOM 641 CA SER A 46 -11.258 6.449 -2.082 1.00 0.00 C ATOM 642 C SER A 46 -10.454 5.969 -3.292 1.00 0.00 C ATOM 643 O SER A 46 -10.600 4.827 -3.724 1.00 0.00 O ATOM 644 CB SER A 46 -10.336 7.131 -1.069 1.00 0.00 C ATOM 645 OG SER A 46 -8.997 6.653 -1.159 1.00 0.00 O ATOM 0 H SER A 46 -11.374 4.697 -0.939 1.00 0.00 H new ATOM 0 HA SER A 46 -11.996 7.180 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.348 8.208 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.715 6.960 -0.061 1.00 0.00 H new ATOM 0 HG SER A 46 -8.830 6.010 -0.439 1.00 0.00 H new ATOM 651 N LEU A 47 -9.624 6.865 -3.804 1.00 0.00 N ATOM 652 CA LEU A 47 -8.797 6.547 -4.955 1.00 0.00 C ATOM 653 C LEU A 47 -7.647 5.637 -4.516 1.00 0.00 C ATOM 654 O LEU A 47 -7.476 4.544 -5.054 1.00 0.00 O ATOM 655 CB LEU A 47 -8.335 7.828 -5.653 1.00 0.00 C ATOM 656 CG LEU A 47 -7.415 7.639 -6.861 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.796 6.384 -7.650 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.404 8.889 -7.743 1.00 0.00 C ATOM 0 H LEU A 47 -9.506 7.812 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.374 5.997 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.217 8.381 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.819 8.451 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.398 7.494 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.127 6.273 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.710 5.509 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.823 6.475 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.742 8.728 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.414 9.091 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.048 9.740 -7.163 1.00 0.00 H new ATOM 670 N ALA A 48 -6.889 6.122 -3.544 1.00 0.00 N ATOM 671 CA ALA A 48 -5.761 5.366 -3.027 1.00 0.00 C ATOM 672 C ALA A 48 -6.190 3.917 -2.788 1.00 0.00 C ATOM 673 O ALA A 48 -5.700 3.004 -3.450 1.00 0.00 O ATOM 674 CB ALA A 48 -5.238 6.036 -1.755 1.00 0.00 C ATOM 0 H ALA A 48 -7.034 7.029 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.944 5.353 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.392 5.469 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.919 7.053 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.030 6.064 -1.007 1.00 0.00 H new ATOM 680 N GLU A 49 -7.101 3.752 -1.840 1.00 0.00 N ATOM 681 CA GLU A 49 -7.602 2.429 -1.506 1.00 0.00 C ATOM 682 C GLU A 49 -8.067 1.703 -2.769 1.00 0.00 C ATOM 683 O GLU A 49 -8.057 0.474 -2.822 1.00 0.00 O ATOM 684 CB GLU A 49 -8.730 2.514 -0.475 1.00 0.00 C ATOM 685 CG GLU A 49 -9.228 1.120 -0.091 1.00 0.00 C ATOM 686 CD GLU A 49 -8.954 0.827 1.385 1.00 0.00 C ATOM 687 OE1 GLU A 49 -7.814 0.408 1.679 1.00 0.00 O ATOM 688 OE2 GLU A 49 -9.892 1.029 2.187 1.00 0.00 O ATOM 0 H GLU A 49 -7.505 4.512 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.789 1.856 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.376 3.035 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.555 3.100 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.297 1.045 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.736 0.371 -0.711 1.00 0.00 H new ATOM 695 N LYS A 50 -8.462 2.493 -3.756 1.00 0.00 N ATOM 696 CA LYS A 50 -8.930 1.940 -5.016 1.00 0.00 C ATOM 697 C LYS A 50 -7.726 1.529 -5.866 1.00 0.00 C ATOM 698 O LYS A 50 -7.816 0.601 -6.669 1.00 0.00 O ATOM 699 CB LYS A 50 -9.869 2.924 -5.717 1.00 0.00 C ATOM 700 CG LYS A 50 -11.313 2.730 -5.250 1.00 0.00 C ATOM 701 CD LYS A 50 -12.237 3.775 -5.878 1.00 0.00 C ATOM 702 CE LYS A 50 -13.485 3.118 -6.470 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.624 3.226 -5.531 1.00 0.00 N ATOM 0 H LYS A 50 -8.468 3.512 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.520 1.040 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.550 3.946 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.810 2.783 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.654 1.730 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.361 2.803 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.529 4.507 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.702 4.317 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.740 3.595 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.283 2.069 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.463 2.775 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.384 2.750 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.827 4.229 -5.345 1.00 0.00 H new ATOM 717 N GLU A 51 -6.626 2.238 -5.659 1.00 0.00 N ATOM 718 CA GLU A 51 -5.405 1.958 -6.396 1.00 0.00 C ATOM 719 C GLU A 51 -4.746 0.682 -5.867 1.00 0.00 C ATOM 720 O GLU A 51 -3.865 0.120 -6.515 1.00 0.00 O ATOM 721 CB GLU A 51 -4.440 3.143 -6.328 1.00 0.00 C ATOM 722 CG GLU A 51 -5.000 4.351 -7.081 1.00 0.00 C ATOM 723 CD GLU A 51 -5.313 3.994 -8.536 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.355 3.996 -9.339 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.502 3.726 -8.811 1.00 0.00 O ATOM 0 H GLU A 51 -6.555 3.006 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.663 1.802 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.260 3.411 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.478 2.858 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.905 4.704 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.280 5.169 -7.050 1.00 0.00 H new ATOM 732 N GLY A 52 -5.199 0.264 -4.694 1.00 0.00 N ATOM 733 CA GLY A 52 -4.665 -0.935 -4.070 1.00 0.00 C ATOM 734 C GLY A 52 -4.007 -0.608 -2.728 1.00 0.00 C ATOM 735 O GLY A 52 -3.880 -1.477 -1.867 1.00 0.00 O ATOM 0 H GLY A 52 -5.930 0.734 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.466 -1.659 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.936 -1.400 -4.733 1.00 0.00 H new ATOM 739 N LEU A 53 -3.607 0.648 -2.592 1.00 0.00 N ATOM 740 CA LEU A 53 -2.966 1.100 -1.369 1.00 0.00 C ATOM 741 C LEU A 53 -3.671 0.472 -0.165 1.00 0.00 C ATOM 742 O LEU A 53 -4.842 0.103 -0.251 1.00 0.00 O ATOM 743 CB LEU A 53 -2.917 2.629 -1.323 1.00 0.00 C ATOM 744 CG LEU A 53 -1.585 3.245 -0.890 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.617 3.344 -2.071 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.802 4.599 -0.212 1.00 0.00 C ATOM 0 H LEU A 53 -3.714 1.366 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.928 0.769 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.166 3.011 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.694 2.977 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.127 2.585 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.322 3.785 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.428 2.348 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.055 3.970 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.840 5.015 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.292 5.280 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.429 4.468 0.670 1.00 0.00 H new ATOM 758 N ARG A 54 -2.930 0.369 0.928 1.00 0.00 N ATOM 759 CA ARG A 54 -3.470 -0.208 2.147 1.00 0.00 C ATOM 760 C ARG A 54 -2.421 -0.174 3.260 1.00 0.00 C ATOM 761 O ARG A 54 -1.261 -0.518 3.037 1.00 0.00 O ATOM 762 CB ARG A 54 -3.916 -1.654 1.921 1.00 0.00 C ATOM 763 CG ARG A 54 -5.434 -1.787 2.056 1.00 0.00 C ATOM 764 CD ARG A 54 -5.803 -2.693 3.233 1.00 0.00 C ATOM 765 NE ARG A 54 -7.258 -2.617 3.493 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.858 -3.153 4.565 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.132 -3.807 5.482 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.184 -3.036 4.719 1.00 0.00 N ATOM 0 H ARG A 54 -1.959 0.676 0.995 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.336 0.386 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.605 -1.983 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.425 -2.307 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.878 -0.802 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.850 -2.194 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.518 -3.722 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.250 -2.391 4.122 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.840 -2.126 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.123 -3.897 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.589 -4.215 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.737 -2.539 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.641 -3.444 5.535 1.00 0.00 H new ATOM 782 N VAL A 55 -2.865 0.245 4.436 1.00 0.00 N ATOM 783 CA VAL A 55 -1.980 0.329 5.585 1.00 0.00 C ATOM 784 C VAL A 55 -1.131 -0.942 5.662 1.00 0.00 C ATOM 785 O VAL A 55 -1.655 -2.030 5.894 1.00 0.00 O ATOM 786 CB VAL A 55 -2.793 0.582 6.855 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.932 0.389 8.105 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.423 1.976 6.834 1.00 0.00 C ATOM 0 H VAL A 55 -3.827 0.530 4.618 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.297 1.172 5.480 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.600 -0.150 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.535 0.575 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.552 -0.632 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.095 1.087 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.996 2.130 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.638 2.729 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.085 2.063 5.972 1.00 0.00 H new ATOM 798 N GLY A 56 0.167 -0.761 5.463 1.00 0.00 N ATOM 799 CA GLY A 56 1.094 -1.879 5.508 1.00 0.00 C ATOM 800 C GLY A 56 2.159 -1.752 4.417 1.00 0.00 C ATOM 801 O GLY A 56 3.323 -2.080 4.640 1.00 0.00 O ATOM 0 H GLY A 56 0.598 0.143 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.573 -1.920 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.548 -2.814 5.381 1.00 0.00 H new ATOM 805 N ASP A 57 1.722 -1.276 3.260 1.00 0.00 N ATOM 806 CA ASP A 57 2.623 -1.102 2.134 1.00 0.00 C ATOM 807 C ASP A 57 3.849 -0.305 2.586 1.00 0.00 C ATOM 808 O ASP A 57 3.960 0.059 3.755 1.00 0.00 O ATOM 809 CB ASP A 57 1.946 -0.327 1.002 1.00 0.00 C ATOM 810 CG ASP A 57 1.294 -1.194 -0.076 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.818 -2.306 -0.305 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.285 -0.727 -0.647 1.00 0.00 O ATOM 0 H ASP A 57 0.755 -1.005 3.078 1.00 0.00 H new ATOM 0 HA ASP A 57 2.908 -2.091 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.185 0.324 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.687 0.318 0.529 1.00 0.00 H new ATOM 817 N GLN A 58 4.738 -0.058 1.635 1.00 0.00 N ATOM 818 CA GLN A 58 5.951 0.688 1.920 1.00 0.00 C ATOM 819 C GLN A 58 6.268 1.646 0.770 1.00 0.00 C ATOM 820 O GLN A 58 6.626 1.211 -0.324 1.00 0.00 O ATOM 821 CB GLN A 58 7.125 -0.255 2.188 1.00 0.00 C ATOM 822 CG GLN A 58 8.445 0.517 2.253 1.00 0.00 C ATOM 823 CD GLN A 58 9.624 -0.431 2.482 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.604 -1.591 2.102 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.648 0.124 3.122 1.00 0.00 N ATOM 0 H GLN A 58 4.642 -0.362 0.666 1.00 0.00 H new ATOM 0 HA GLN A 58 5.788 1.277 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.963 -0.785 3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.178 -1.008 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.593 1.070 1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.402 1.251 3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.599 1.101 3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.483 -0.427 3.323 1.00 0.00 H new ATOM 834 N ILE A 59 6.125 2.932 1.055 1.00 0.00 N ATOM 835 CA ILE A 59 6.392 3.954 0.058 1.00 0.00 C ATOM 836 C ILE A 59 7.893 3.996 -0.234 1.00 0.00 C ATOM 837 O ILE A 59 8.610 4.839 0.304 1.00 0.00 O ATOM 838 CB ILE A 59 5.813 5.299 0.502 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.350 5.154 0.925 1.00 0.00 C ATOM 840 CG2 ILE A 59 5.992 6.359 -0.587 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.463 4.815 -0.274 1.00 0.00 C ATOM 0 H ILE A 59 5.827 3.289 1.963 1.00 0.00 H new ATOM 0 HA ILE A 59 5.892 3.712 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 59 6.369 5.638 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.262 4.372 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.007 6.081 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.572 7.305 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.054 6.488 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.478 6.040 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.428 4.718 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.535 5.610 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.793 3.875 -0.717 1.00 0.00 H new ATOM 853 N LEU A 60 8.324 3.077 -1.085 1.00 0.00 N ATOM 854 CA LEU A 60 9.728 2.999 -1.454 1.00 0.00 C ATOM 855 C LEU A 60 10.188 4.359 -1.982 1.00 0.00 C ATOM 856 O LEU A 60 11.115 4.958 -1.439 1.00 0.00 O ATOM 857 CB LEU A 60 9.960 1.848 -2.435 1.00 0.00 C ATOM 858 CG LEU A 60 9.430 0.480 -2.001 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.580 -0.548 -3.125 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.103 0.016 -0.707 1.00 0.00 C ATOM 0 H LEU A 60 7.727 2.380 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 60 10.340 2.772 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.498 2.109 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.032 1.760 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 60 8.364 0.577 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.196 -1.512 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.018 -0.217 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.633 -0.649 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.708 -0.959 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.179 -0.060 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.902 0.736 0.086 1.00 0.00 H new ATOM 872 N ARG A 61 9.519 4.807 -3.035 1.00 0.00 N ATOM 873 CA ARG A 61 9.849 6.085 -3.642 1.00 0.00 C ATOM 874 C ARG A 61 8.613 6.987 -3.683 1.00 0.00 C ATOM 875 O ARG A 61 7.503 6.538 -3.402 1.00 0.00 O ATOM 876 CB ARG A 61 10.383 5.898 -5.064 1.00 0.00 C ATOM 877 CG ARG A 61 11.883 5.600 -5.051 1.00 0.00 C ATOM 878 CD ARG A 61 12.323 4.942 -6.360 1.00 0.00 C ATOM 879 NE ARG A 61 13.596 5.538 -6.823 1.00 0.00 N ATOM 880 CZ ARG A 61 14.382 4.994 -7.762 1.00 0.00 C ATOM 881 NH1 ARG A 61 14.030 3.839 -8.344 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.520 5.605 -8.120 1.00 0.00 N ATOM 0 H ARG A 61 8.750 4.308 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 61 10.624 6.551 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.851 5.082 -5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.192 6.798 -5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.440 6.525 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.120 4.945 -4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.446 3.869 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.553 5.074 -7.120 1.00 0.00 H new ATOM 0 HE ARG A 61 13.894 6.418 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.164 3.374 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.628 3.425 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.788 6.484 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.118 5.191 -8.835 1.00 0.00 H new ATOM 896 N VAL A 62 8.848 8.242 -4.036 1.00 0.00 N ATOM 897 CA VAL A 62 7.768 9.211 -4.117 1.00 0.00 C ATOM 898 C VAL A 62 8.019 10.150 -5.299 1.00 0.00 C ATOM 899 O VAL A 62 8.962 10.940 -5.279 1.00 0.00 O ATOM 900 CB VAL A 62 7.627 9.951 -2.785 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.537 11.179 -2.742 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.170 10.338 -2.525 1.00 0.00 C ATOM 0 H VAL A 62 9.770 8.610 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 62 6.817 8.709 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 62 7.940 9.274 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.418 11.687 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.575 10.867 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.268 11.860 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.097 10.862 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.818 10.989 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.555 9.439 -2.492 1.00 0.00 H new ATOM 912 N ASN A 63 7.159 10.033 -6.300 1.00 0.00 N ATOM 913 CA ASN A 63 7.275 10.861 -7.488 1.00 0.00 C ATOM 914 C ASN A 63 8.505 10.428 -8.288 1.00 0.00 C ATOM 915 O ASN A 63 8.385 10.004 -9.436 1.00 0.00 O ATOM 916 CB ASN A 63 7.449 12.335 -7.116 1.00 0.00 C ATOM 917 CG ASN A 63 6.893 13.246 -8.213 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.276 13.175 -9.369 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.970 14.104 -7.787 1.00 0.00 N ATOM 0 H ASN A 63 6.378 9.377 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 63 6.363 10.741 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.938 12.539 -6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.506 12.552 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.538 14.755 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.695 14.111 -6.805 1.00 0.00 H new ATOM 926 N ASP A 64 9.660 10.549 -7.650 1.00 0.00 N ATOM 927 CA ASP A 64 10.910 10.174 -8.288 1.00 0.00 C ATOM 928 C ASP A 64 11.972 9.926 -7.214 1.00 0.00 C ATOM 929 O ASP A 64 12.708 8.943 -7.279 1.00 0.00 O ATOM 930 CB ASP A 64 11.417 11.290 -9.204 1.00 0.00 C ATOM 931 CG ASP A 64 11.717 10.860 -10.641 1.00 0.00 C ATOM 932 OD1 ASP A 64 11.204 9.790 -11.032 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.452 11.612 -11.317 1.00 0.00 O ATOM 0 H ASP A 64 9.756 10.902 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 64 10.731 9.275 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.674 12.087 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.323 11.712 -8.770 1.00 0.00 H new ATOM 938 N LYS A 65 12.017 10.835 -6.251 1.00 0.00 N ATOM 939 CA LYS A 65 12.975 10.726 -5.164 1.00 0.00 C ATOM 940 C LYS A 65 12.628 9.512 -4.302 1.00 0.00 C ATOM 941 O LYS A 65 11.461 9.138 -4.191 1.00 0.00 O ATOM 942 CB LYS A 65 13.046 12.038 -4.379 1.00 0.00 C ATOM 943 CG LYS A 65 14.446 12.257 -3.802 1.00 0.00 C ATOM 944 CD LYS A 65 15.223 13.288 -4.624 1.00 0.00 C ATOM 945 CE LYS A 65 16.695 12.893 -4.749 1.00 0.00 C ATOM 946 NZ LYS A 65 17.554 14.098 -4.789 1.00 0.00 N ATOM 0 H LYS A 65 11.406 11.650 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 65 13.978 10.561 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.783 12.871 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.314 12.023 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.369 12.594 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.990 11.312 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.781 13.375 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.144 14.268 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.981 12.263 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.844 12.303 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.550 13.812 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.291 14.685 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.425 14.646 -3.914 1.00 0.00 H new ATOM 960 N SER A 66 13.661 8.928 -3.713 1.00 0.00 N ATOM 961 CA SER A 66 13.480 7.763 -2.864 1.00 0.00 C ATOM 962 C SER A 66 13.621 8.161 -1.393 1.00 0.00 C ATOM 963 O SER A 66 14.643 8.714 -0.991 1.00 0.00 O ATOM 964 CB SER A 66 14.484 6.664 -3.215 1.00 0.00 C ATOM 965 OG SER A 66 15.831 7.099 -3.052 1.00 0.00 O ATOM 0 H SER A 66 14.627 9.240 -3.807 1.00 0.00 H new ATOM 0 HA SER A 66 12.478 7.369 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.305 5.794 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.328 6.346 -4.246 1.00 0.00 H new ATOM 0 HG SER A 66 15.881 7.739 -2.312 1.00 0.00 H new ATOM 971 N LEU A 67 12.579 7.863 -0.630 1.00 0.00 N ATOM 972 CA LEU A 67 12.574 8.182 0.787 1.00 0.00 C ATOM 973 C LEU A 67 13.276 7.064 1.560 1.00 0.00 C ATOM 974 O LEU A 67 12.741 6.552 2.542 1.00 0.00 O ATOM 975 CB LEU A 67 11.149 8.462 1.269 1.00 0.00 C ATOM 976 CG LEU A 67 10.216 9.125 0.253 1.00 0.00 C ATOM 977 CD1 LEU A 67 10.982 10.110 -0.633 1.00 0.00 C ATOM 978 CD2 LEU A 67 9.467 8.076 -0.570 1.00 0.00 C ATOM 0 H LEU A 67 11.733 7.404 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 67 13.134 9.099 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.701 7.519 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.204 9.099 2.152 1.00 0.00 H new ATOM 0 HG LEU A 67 9.468 9.699 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.296 10.567 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.430 10.886 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.766 9.580 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.811 8.574 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.184 7.455 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.871 7.450 0.094 1.00 0.00 H new ATOM 990 N ALA A 68 14.465 6.717 1.088 1.00 0.00 N ATOM 991 CA ALA A 68 15.245 5.669 1.722 1.00 0.00 C ATOM 992 C ALA A 68 15.363 5.961 3.219 1.00 0.00 C ATOM 993 O ALA A 68 15.008 5.125 4.048 1.00 0.00 O ATOM 994 CB ALA A 68 16.611 5.565 1.039 1.00 0.00 C ATOM 0 H ALA A 68 14.907 7.144 0.274 1.00 0.00 H new ATOM 0 HA ALA A 68 14.751 4.704 1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.197 4.778 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.473 5.327 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.137 6.515 1.131 1.00 0.00 H new ATOM 1000 N ARG A 69 15.862 7.151 3.520 1.00 0.00 N ATOM 1001 CA ARG A 69 16.031 7.564 4.903 1.00 0.00 C ATOM 1002 C ARG A 69 15.848 9.077 5.031 1.00 0.00 C ATOM 1003 O ARG A 69 16.826 9.819 5.118 1.00 0.00 O ATOM 1004 CB ARG A 69 17.415 7.178 5.428 1.00 0.00 C ATOM 1005 CG ARG A 69 17.312 6.075 6.484 1.00 0.00 C ATOM 1006 CD ARG A 69 18.204 6.384 7.688 1.00 0.00 C ATOM 1007 NE ARG A 69 18.370 5.171 8.520 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.282 5.047 9.494 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.116 6.061 9.764 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.360 3.909 10.197 1.00 0.00 N ATOM 0 H ARG A 69 16.155 7.842 2.830 1.00 0.00 H new ATOM 0 HA ARG A 69 15.274 7.052 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.040 6.838 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.902 8.053 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.277 5.974 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.603 5.120 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.177 6.738 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.763 7.185 8.282 1.00 0.00 H new ATOM 0 HE ARG A 69 17.751 4.380 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.056 6.927 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.810 5.967 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.725 3.138 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.054 3.814 10.938 1.00 0.00 H new ATOM 1024 N VAL A 70 14.590 9.491 5.037 1.00 0.00 N ATOM 1025 CA VAL A 70 14.267 10.903 5.153 1.00 0.00 C ATOM 1026 C VAL A 70 13.203 11.091 6.236 1.00 0.00 C ATOM 1027 O VAL A 70 12.388 10.201 6.473 1.00 0.00 O ATOM 1028 CB VAL A 70 13.838 11.455 3.792 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.998 11.416 2.795 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.624 10.698 3.251 1.00 0.00 C ATOM 0 H VAL A 70 13.782 8.873 4.963 1.00 0.00 H new ATOM 0 HA VAL A 70 15.145 11.472 5.458 1.00 0.00 H new ATOM 0 HB VAL A 70 13.549 12.497 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.667 11.814 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.823 12.020 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.332 10.387 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.340 11.110 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.874 9.643 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.792 10.800 3.947 1.00 0.00 H new ATOM 1040 N THR A 71 13.244 12.257 6.866 1.00 0.00 N ATOM 1041 CA THR A 71 12.294 12.573 7.918 1.00 0.00 C ATOM 1042 C THR A 71 10.861 12.448 7.398 1.00 0.00 C ATOM 1043 O THR A 71 10.632 12.458 6.189 1.00 0.00 O ATOM 1044 CB THR A 71 12.627 13.968 8.452 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.618 14.795 7.292 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.063 14.069 8.971 1.00 0.00 C ATOM 0 H THR A 71 13.921 12.994 6.667 1.00 0.00 H new ATOM 0 HA THR A 71 12.369 11.866 8.744 1.00 0.00 H new ATOM 0 HB THR A 71 11.933 14.225 9.252 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.823 15.719 7.547 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.247 15.079 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.208 13.356 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.759 13.844 8.163 1.00 0.00 H new ATOM 1054 N HIS A 72 9.932 12.333 8.336 1.00 0.00 N ATOM 1055 CA HIS A 72 8.528 12.205 7.988 1.00 0.00 C ATOM 1056 C HIS A 72 8.063 13.469 7.261 1.00 0.00 C ATOM 1057 O HIS A 72 7.093 13.434 6.506 1.00 0.00 O ATOM 1058 CB HIS A 72 7.687 11.891 9.226 1.00 0.00 C ATOM 1059 CG HIS A 72 6.327 11.313 8.915 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.147 11.983 9.188 1.00 0.00 N ATOM 1061 CD2 HIS A 72 5.972 10.123 8.351 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.134 11.220 8.802 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.648 10.068 8.284 1.00 0.00 N ATOM 0 H HIS A 72 10.125 12.326 9.338 1.00 0.00 H new ATOM 0 HA HIS A 72 8.394 11.365 7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.234 11.189 9.855 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.558 12.805 9.806 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.070 12.907 9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.653 9.355 8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.086 11.467 8.883 1.00 0.00 H new ATOM 1071 N ALA A 73 8.777 14.556 7.515 1.00 0.00 N ATOM 1072 CA ALA A 73 8.450 15.828 6.894 1.00 0.00 C ATOM 1073 C ALA A 73 8.952 15.830 5.449 1.00 0.00 C ATOM 1074 O ALA A 73 8.329 16.427 4.572 1.00 0.00 O ATOM 1075 CB ALA A 73 9.049 16.968 7.720 1.00 0.00 C ATOM 0 H ALA A 73 9.581 14.582 8.142 1.00 0.00 H new ATOM 0 HA ALA A 73 7.370 15.976 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.804 17.923 7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.638 16.941 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.132 16.854 7.766 1.00 0.00 H new ATOM 1081 N GLU A 74 10.074 15.154 5.245 1.00 0.00 N ATOM 1082 CA GLU A 74 10.666 15.070 3.921 1.00 0.00 C ATOM 1083 C GLU A 74 9.700 14.391 2.949 1.00 0.00 C ATOM 1084 O GLU A 74 9.191 15.027 2.027 1.00 0.00 O ATOM 1085 CB GLU A 74 12.007 14.334 3.966 1.00 0.00 C ATOM 1086 CG GLU A 74 13.164 15.313 4.173 1.00 0.00 C ATOM 1087 CD GLU A 74 13.373 16.185 2.934 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.637 15.596 1.863 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.264 17.421 3.084 1.00 0.00 O ATOM 0 H GLU A 74 10.588 14.660 5.974 1.00 0.00 H new ATOM 0 HA GLU A 74 10.856 16.082 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.997 13.602 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.154 13.783 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.960 15.946 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.078 14.760 4.392 1.00 0.00 H new ATOM 1096 N ALA A 75 9.475 13.107 3.188 1.00 0.00 N ATOM 1097 CA ALA A 75 8.579 12.335 2.345 1.00 0.00 C ATOM 1098 C ALA A 75 7.351 13.181 2.003 1.00 0.00 C ATOM 1099 O ALA A 75 6.997 13.323 0.834 1.00 0.00 O ATOM 1100 CB ALA A 75 8.209 11.030 3.053 1.00 0.00 C ATOM 0 H ALA A 75 9.898 12.582 3.954 1.00 0.00 H new ATOM 0 HA ALA A 75 9.068 12.070 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.537 10.451 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.113 10.452 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.714 11.256 3.997 1.00 0.00 H new ATOM 1106 N VAL A 76 6.736 13.722 3.044 1.00 0.00 N ATOM 1107 CA VAL A 76 5.555 14.550 2.869 1.00 0.00 C ATOM 1108 C VAL A 76 5.886 15.708 1.925 1.00 0.00 C ATOM 1109 O VAL A 76 5.233 15.880 0.897 1.00 0.00 O ATOM 1110 CB VAL A 76 5.038 15.019 4.231 1.00 0.00 C ATOM 1111 CG1 VAL A 76 3.794 15.895 4.073 1.00 0.00 C ATOM 1112 CG2 VAL A 76 4.758 13.828 5.150 1.00 0.00 C ATOM 0 H VAL A 76 7.034 13.603 4.012 1.00 0.00 H new ATOM 0 HA VAL A 76 4.750 13.976 2.411 1.00 0.00 H new ATOM 0 HB VAL A 76 5.816 15.624 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.447 16.215 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.040 16.771 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.008 15.325 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.392 14.188 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.006 13.185 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.677 13.261 5.301 1.00 0.00 H new ATOM 1122 N LYS A 77 6.899 16.471 2.307 1.00 0.00 N ATOM 1123 CA LYS A 77 7.324 17.607 1.507 1.00 0.00 C ATOM 1124 C LYS A 77 7.635 17.136 0.085 1.00 0.00 C ATOM 1125 O LYS A 77 7.613 17.930 -0.854 1.00 0.00 O ATOM 1126 CB LYS A 77 8.489 18.332 2.183 1.00 0.00 C ATOM 1127 CG LYS A 77 7.982 19.437 3.113 1.00 0.00 C ATOM 1128 CD LYS A 77 9.104 20.416 3.463 1.00 0.00 C ATOM 1129 CE LYS A 77 8.629 21.864 3.328 1.00 0.00 C ATOM 1130 NZ LYS A 77 8.047 22.340 4.603 1.00 0.00 N ATOM 0 H LYS A 77 7.438 16.325 3.160 1.00 0.00 H new ATOM 0 HA LYS A 77 6.522 18.341 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.085 17.618 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.144 18.762 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.163 19.973 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.583 18.995 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.445 20.235 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.957 20.247 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.465 22.502 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.887 21.937 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.730 23.324 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.236 21.741 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.766 22.289 5.353 1.00 0.00 H new ATOM 1144 N ALA A 78 7.916 15.846 -0.029 1.00 0.00 N ATOM 1145 CA ALA A 78 8.231 15.260 -1.321 1.00 0.00 C ATOM 1146 C ALA A 78 6.941 14.770 -1.982 1.00 0.00 C ATOM 1147 O ALA A 78 6.875 14.642 -3.203 1.00 0.00 O ATOM 1148 CB ALA A 78 9.254 14.138 -1.137 1.00 0.00 C ATOM 0 H ALA A 78 7.932 15.190 0.752 1.00 0.00 H new ATOM 0 HA ALA A 78 8.678 16.004 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.490 13.698 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.162 14.543 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.839 13.371 -0.482 1.00 0.00 H new ATOM 1154 N LEU A 79 5.947 14.511 -1.145 1.00 0.00 N ATOM 1155 CA LEU A 79 4.662 14.038 -1.633 1.00 0.00 C ATOM 1156 C LEU A 79 3.939 15.183 -2.344 1.00 0.00 C ATOM 1157 O LEU A 79 3.957 15.265 -3.572 1.00 0.00 O ATOM 1158 CB LEU A 79 3.854 13.413 -0.494 1.00 0.00 C ATOM 1159 CG LEU A 79 4.184 11.958 -0.156 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.089 11.709 1.350 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.299 10.996 -0.953 1.00 0.00 C ATOM 0 H LEU A 79 6.005 14.620 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 79 4.801 13.244 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.001 14.016 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.796 13.475 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 79 5.216 11.765 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.328 10.667 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.794 12.357 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.077 11.926 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.554 9.968 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.252 11.182 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.460 11.152 -2.020 1.00 0.00 H new ATOM 1173 N LYS A 80 3.320 16.038 -1.544 1.00 0.00 N ATOM 1174 CA LYS A 80 2.592 17.174 -2.082 1.00 0.00 C ATOM 1175 C LYS A 80 1.687 16.702 -3.222 1.00 0.00 C ATOM 1176 O LYS A 80 1.562 15.502 -3.463 1.00 0.00 O ATOM 1177 CB LYS A 80 3.560 18.288 -2.486 1.00 0.00 C ATOM 1178 CG LYS A 80 3.547 19.424 -1.461 1.00 0.00 C ATOM 1179 CD LYS A 80 4.127 18.961 -0.123 1.00 0.00 C ATOM 1180 CE LYS A 80 4.364 20.149 0.812 1.00 0.00 C ATOM 1181 NZ LYS A 80 3.094 20.858 1.083 1.00 0.00 N ATOM 0 H LYS A 80 3.308 15.967 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 80 1.944 17.607 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.569 17.884 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.285 18.675 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.125 20.267 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.526 19.777 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.445 18.253 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.066 18.434 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.800 19.801 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.082 20.835 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.235 21.539 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.790 21.364 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.364 20.170 1.356 1.00 0.00 H new ATOM 1195 N GLY A 81 1.081 17.670 -3.894 1.00 0.00 N ATOM 1196 CA GLY A 81 0.192 17.368 -5.003 1.00 0.00 C ATOM 1197 C GLY A 81 0.815 17.790 -6.335 1.00 0.00 C ATOM 1198 O GLY A 81 0.343 18.729 -6.975 1.00 0.00 O ATOM 0 H GLY A 81 1.188 18.664 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.024 16.300 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.758 17.883 -4.863 1.00 0.00 H new ATOM 1202 N SER A 82 1.865 17.076 -6.714 1.00 0.00 N ATOM 1203 CA SER A 82 2.557 17.365 -7.958 1.00 0.00 C ATOM 1204 C SER A 82 1.705 16.915 -9.147 1.00 0.00 C ATOM 1205 O SER A 82 0.602 16.403 -8.966 1.00 0.00 O ATOM 1206 CB SER A 82 3.926 16.685 -7.998 1.00 0.00 C ATOM 1207 OG SER A 82 4.964 17.595 -8.354 1.00 0.00 O ATOM 0 H SER A 82 2.253 16.298 -6.181 1.00 0.00 H new ATOM 0 HA SER A 82 2.715 18.442 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.144 16.251 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.902 15.864 -8.714 1.00 0.00 H new ATOM 0 HG SER A 82 5.823 17.123 -8.367 1.00 0.00 H new ATOM 1213 N LYS A 83 2.251 17.121 -10.337 1.00 0.00 N ATOM 1214 CA LYS A 83 1.556 16.742 -11.555 1.00 0.00 C ATOM 1215 C LYS A 83 1.491 15.216 -11.646 1.00 0.00 C ATOM 1216 O LYS A 83 2.306 14.596 -12.328 1.00 0.00 O ATOM 1217 CB LYS A 83 2.207 17.404 -12.771 1.00 0.00 C ATOM 1218 CG LYS A 83 1.180 17.644 -13.880 1.00 0.00 C ATOM 1219 CD LYS A 83 1.034 19.138 -14.177 1.00 0.00 C ATOM 1220 CE LYS A 83 -0.226 19.412 -15.001 1.00 0.00 C ATOM 1221 NZ LYS A 83 0.125 20.047 -16.291 1.00 0.00 N ATOM 0 H LYS A 83 3.167 17.546 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 83 0.528 17.104 -11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.657 18.352 -12.476 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.012 16.772 -13.146 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.486 17.118 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.215 17.233 -13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.990 19.696 -13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.911 19.492 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.759 18.479 -15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.900 20.061 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.742 20.226 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.614 20.947 -16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.750 19.415 -16.831 1.00 0.00 H new ATOM 1235 N LYS A 84 0.513 14.655 -10.950 1.00 0.00 N ATOM 1236 CA LYS A 84 0.331 13.213 -10.944 1.00 0.00 C ATOM 1237 C LYS A 84 1.522 12.556 -10.242 1.00 0.00 C ATOM 1238 O LYS A 84 2.518 12.223 -10.883 1.00 0.00 O ATOM 1239 CB LYS A 84 0.093 12.697 -12.365 1.00 0.00 C ATOM 1240 CG LYS A 84 0.045 11.168 -12.392 1.00 0.00 C ATOM 1241 CD LYS A 84 -1.181 10.672 -13.161 1.00 0.00 C ATOM 1242 CE LYS A 84 -0.826 10.361 -14.617 1.00 0.00 C ATOM 1243 NZ LYS A 84 -2.049 10.309 -15.449 1.00 0.00 N ATOM 0 H LYS A 84 -0.161 15.173 -10.386 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.561 12.944 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.843 13.101 -12.750 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.887 13.051 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.952 10.780 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.020 10.783 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.579 9.778 -12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.966 11.428 -13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.149 11.123 -15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.300 9.408 -14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.790 10.097 -16.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.682 9.566 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.535 11.227 -15.409 1.00 0.00 H new ATOM 1257 N LEU A 85 1.379 12.389 -8.936 1.00 0.00 N ATOM 1258 CA LEU A 85 2.430 11.778 -8.140 1.00 0.00 C ATOM 1259 C LEU A 85 2.310 10.255 -8.228 1.00 0.00 C ATOM 1260 O LEU A 85 1.225 9.703 -8.049 1.00 0.00 O ATOM 1261 CB LEU A 85 2.400 12.315 -6.708 1.00 0.00 C ATOM 1262 CG LEU A 85 3.164 11.495 -5.667 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.539 11.081 -6.197 1.00 0.00 C ATOM 1264 CD2 LEU A 85 3.264 12.249 -4.340 1.00 0.00 C ATOM 0 H LEU A 85 0.551 12.666 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 85 3.410 12.045 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.805 13.327 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.360 12.389 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 85 2.604 10.580 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.062 10.499 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.416 10.477 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.120 11.972 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.812 11.644 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.789 13.191 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.263 12.450 -3.959 1.00 0.00 H new ATOM 1276 N VAL A 86 3.439 9.619 -8.503 1.00 0.00 N ATOM 1277 CA VAL A 86 3.474 8.171 -8.617 1.00 0.00 C ATOM 1278 C VAL A 86 4.067 7.577 -7.337 1.00 0.00 C ATOM 1279 O VAL A 86 5.283 7.582 -7.153 1.00 0.00 O ATOM 1280 CB VAL A 86 4.240 7.762 -9.876 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.586 6.272 -9.849 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.452 8.120 -11.138 1.00 0.00 C ATOM 0 H VAL A 86 4.337 10.080 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 86 2.465 7.773 -8.724 1.00 0.00 H new ATOM 0 HB VAL A 86 5.175 8.322 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.130 6.008 -10.756 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.206 6.058 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.668 5.686 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.019 7.819 -12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.494 7.601 -11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.281 9.196 -11.167 1.00 0.00 H new ATOM 1292 N LEU A 87 3.180 7.080 -6.487 1.00 0.00 N ATOM 1293 CA LEU A 87 3.601 6.485 -5.230 1.00 0.00 C ATOM 1294 C LEU A 87 4.191 5.099 -5.500 1.00 0.00 C ATOM 1295 O LEU A 87 3.516 4.230 -6.051 1.00 0.00 O ATOM 1296 CB LEU A 87 2.446 6.477 -4.228 1.00 0.00 C ATOM 1297 CG LEU A 87 1.812 7.836 -3.924 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.881 8.876 -3.586 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.913 8.291 -5.076 1.00 0.00 C ATOM 0 H LEU A 87 2.172 7.077 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 87 4.387 7.083 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.669 5.812 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.806 6.049 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 87 1.178 7.729 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.404 9.833 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.443 8.549 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.559 8.988 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.475 9.259 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.505 8.377 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.118 7.561 -5.228 1.00 0.00 H new ATOM 1311 N SER A 88 5.443 4.935 -5.099 1.00 0.00 N ATOM 1312 CA SER A 88 6.131 3.670 -5.291 1.00 0.00 C ATOM 1313 C SER A 88 5.992 2.804 -4.037 1.00 0.00 C ATOM 1314 O SER A 88 6.687 3.024 -3.046 1.00 0.00 O ATOM 1315 CB SER A 88 7.608 3.890 -5.623 1.00 0.00 C ATOM 1316 OG SER A 88 7.832 3.976 -7.028 1.00 0.00 O ATOM 0 H SER A 88 5.999 5.658 -4.642 1.00 0.00 H new ATOM 0 HA SER A 88 5.671 3.155 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.955 4.805 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.198 3.071 -5.211 1.00 0.00 H new ATOM 0 HG SER A 88 8.786 4.118 -7.199 1.00 0.00 H new ATOM 1322 N VAL A 89 5.091 1.837 -4.121 1.00 0.00 N ATOM 1323 CA VAL A 89 4.852 0.937 -3.006 1.00 0.00 C ATOM 1324 C VAL A 89 5.295 -0.476 -3.393 1.00 0.00 C ATOM 1325 O VAL A 89 5.347 -0.812 -4.575 1.00 0.00 O ATOM 1326 CB VAL A 89 3.384 1.008 -2.580 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.186 2.040 -1.468 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.481 1.311 -3.777 1.00 0.00 C ATOM 0 H VAL A 89 4.517 1.657 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 89 5.442 1.237 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 89 3.101 0.032 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.134 2.071 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.788 1.763 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.494 3.023 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.443 1.356 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.765 2.268 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.591 0.525 -4.524 1.00 0.00 H new ATOM 1338 N TYR A 90 5.601 -1.265 -2.374 1.00 0.00 N ATOM 1339 CA TYR A 90 6.037 -2.634 -2.592 1.00 0.00 C ATOM 1340 C TYR A 90 5.048 -3.629 -1.980 1.00 0.00 C ATOM 1341 O TYR A 90 4.404 -3.331 -0.976 1.00 0.00 O ATOM 1342 CB TYR A 90 7.383 -2.767 -1.878 1.00 0.00 C ATOM 1343 CG TYR A 90 7.729 -4.198 -1.462 1.00 0.00 C ATOM 1344 CD1 TYR A 90 8.046 -5.138 -2.421 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.723 -4.549 -0.127 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.370 -6.486 -2.029 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.048 -5.897 0.265 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.356 -6.798 -0.706 1.00 0.00 C ATOM 1349 OH TYR A 90 8.662 -8.070 -0.336 1.00 0.00 O ATOM 0 H TYR A 90 5.556 -0.983 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 90 6.106 -2.849 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.169 -2.390 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.376 -2.133 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.051 -4.863 -3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.475 -3.813 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.618 -7.232 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.047 -6.185 1.306 1.00 0.00 H new ATOM 0 HH TYR A 90 8.613 -8.148 0.640 1.00 0.00 H new ATOM 1359 N SER A 91 4.960 -4.790 -2.612 1.00 0.00 N ATOM 1360 CA SER A 91 4.060 -5.831 -2.142 1.00 0.00 C ATOM 1361 C SER A 91 4.812 -7.158 -2.024 1.00 0.00 C ATOM 1362 O SER A 91 5.816 -7.369 -2.702 1.00 0.00 O ATOM 1363 CB SER A 91 2.859 -5.983 -3.077 1.00 0.00 C ATOM 1364 OG SER A 91 1.960 -6.995 -2.630 1.00 0.00 O ATOM 0 H SER A 91 5.496 -5.033 -3.445 1.00 0.00 H new ATOM 0 HA SER A 91 3.687 -5.543 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.330 -5.032 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.209 -6.226 -4.080 1.00 0.00 H new ATOM 0 HG SER A 91 1.206 -7.061 -3.252 1.00 0.00 H new ATOM 1370 N ALA A 92 4.297 -8.018 -1.157 1.00 0.00 N ATOM 1371 CA ALA A 92 4.907 -9.318 -0.941 1.00 0.00 C ATOM 1372 C ALA A 92 3.850 -10.292 -0.415 1.00 0.00 C ATOM 1373 O ALA A 92 3.565 -10.318 0.781 1.00 0.00 O ATOM 1374 CB ALA A 92 6.093 -9.174 0.015 1.00 0.00 C ATOM 0 H ALA A 92 3.464 -7.839 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 92 5.291 -9.722 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.550 -10.150 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.829 -8.496 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.746 -8.774 0.968 1.00 0.00 H new ATOM 1380 N GLY A 93 3.298 -11.069 -1.336 1.00 0.00 N ATOM 1381 CA GLY A 93 2.278 -12.041 -0.980 1.00 0.00 C ATOM 1382 C GLY A 93 0.992 -11.802 -1.772 1.00 0.00 C ATOM 1383 O GLY A 93 0.866 -10.795 -2.468 1.00 0.00 O ATOM 0 H GLY A 93 3.538 -11.045 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.647 -13.048 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.068 -11.979 0.088 1.00 0.00 H new ATOM 1387 N ARG A 94 0.069 -12.743 -1.640 1.00 0.00 N ATOM 1388 CA ARG A 94 -1.204 -12.647 -2.335 1.00 0.00 C ATOM 1389 C ARG A 94 -2.254 -11.997 -1.431 1.00 0.00 C ATOM 1390 O ARG A 94 -2.179 -12.106 -0.209 1.00 0.00 O ATOM 1391 CB ARG A 94 -1.699 -14.027 -2.770 1.00 0.00 C ATOM 1392 CG ARG A 94 -1.620 -14.184 -4.290 1.00 0.00 C ATOM 1393 CD ARG A 94 -2.996 -14.000 -4.932 1.00 0.00 C ATOM 1394 NE ARG A 94 -3.547 -15.313 -5.336 1.00 0.00 N ATOM 1395 CZ ARG A 94 -2.989 -16.109 -6.259 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -1.863 -15.730 -6.878 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -3.559 -17.283 -6.562 1.00 0.00 N ATOM 0 H ARG A 94 0.177 -13.576 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.052 -12.032 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.100 -14.800 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.728 -14.169 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.923 -13.452 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.228 -15.171 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.672 -13.514 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.916 -13.347 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.404 -15.632 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.430 -14.836 -6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.438 -16.336 -7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.417 -17.570 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.135 -17.889 -7.264 1.00 0.00 H new ATOM 1411 N ILE A 95 -3.208 -11.334 -2.069 1.00 0.00 N ATOM 1412 CA ILE A 95 -4.271 -10.666 -1.339 1.00 0.00 C ATOM 1413 C ILE A 95 -5.624 -11.206 -1.809 1.00 0.00 C ATOM 1414 O ILE A 95 -6.097 -10.849 -2.887 1.00 0.00 O ATOM 1415 CB ILE A 95 -4.137 -9.147 -1.466 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -2.815 -8.662 -0.869 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -5.341 -8.437 -0.845 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -2.297 -7.429 -1.613 1.00 0.00 C ATOM 0 H ILE A 95 -3.266 -11.246 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.194 -10.881 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.124 -8.892 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.954 -8.423 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.074 -9.460 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.221 -7.359 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.252 -8.751 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.410 -8.694 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.356 -7.105 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.136 -7.678 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.029 -6.625 -1.539 1.00 0.00 H new ATOM 1430 N SER A 96 -6.207 -12.057 -0.978 1.00 0.00 N ATOM 1431 CA SER A 96 -7.495 -12.649 -1.295 1.00 0.00 C ATOM 1432 C SER A 96 -8.607 -11.919 -0.538 1.00 0.00 C ATOM 1433 O SER A 96 -8.336 -11.164 0.394 1.00 0.00 O ATOM 1434 CB SER A 96 -7.514 -14.141 -0.958 1.00 0.00 C ATOM 1435 OG SER A 96 -7.338 -14.952 -2.116 1.00 0.00 O ATOM 0 H SER A 96 -5.811 -12.351 -0.085 1.00 0.00 H new ATOM 0 HA SER A 96 -7.665 -12.545 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.725 -14.360 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.461 -14.393 -0.480 1.00 0.00 H new ATOM 0 HG SER A 96 -7.354 -15.897 -1.859 1.00 0.00 H new ATOM 1441 N GLY A 97 -9.835 -12.172 -0.967 1.00 0.00 N ATOM 1442 CA GLY A 97 -10.989 -11.548 -0.341 1.00 0.00 C ATOM 1443 C GLY A 97 -12.077 -11.248 -1.374 1.00 0.00 C ATOM 1444 O GLY A 97 -12.033 -11.755 -2.494 1.00 0.00 O ATOM 0 H GLY A 97 -10.056 -12.800 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.388 -12.205 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.685 -10.624 0.151 1.00 0.00 H new ATOM 1448 N PRO A 98 -13.054 -10.402 -0.950 1.00 0.00 N ATOM 1449 CA PRO A 98 -14.151 -10.027 -1.826 1.00 0.00 C ATOM 1450 C PRO A 98 -13.691 -9.021 -2.883 1.00 0.00 C ATOM 1451 O PRO A 98 -12.750 -8.262 -2.655 1.00 0.00 O ATOM 1452 CB PRO A 98 -15.220 -9.469 -0.900 1.00 0.00 C ATOM 1453 CG PRO A 98 -14.507 -9.121 0.397 1.00 0.00 C ATOM 1454 CD PRO A 98 -13.139 -9.781 0.369 1.00 0.00 C ATOM 0 HA PRO A 98 -14.538 -10.870 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -15.692 -8.588 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.009 -10.201 -0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -14.407 -8.040 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.082 -9.471 1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.344 -9.050 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.040 -10.522 1.163 1.00 0.00 H new ATOM 1462 N SER A 99 -14.376 -9.049 -4.017 1.00 0.00 N ATOM 1463 CA SER A 99 -14.049 -8.149 -5.110 1.00 0.00 C ATOM 1464 C SER A 99 -15.168 -8.164 -6.153 1.00 0.00 C ATOM 1465 O SER A 99 -15.473 -9.210 -6.725 1.00 0.00 O ATOM 1466 CB SER A 99 -12.715 -8.529 -5.756 1.00 0.00 C ATOM 1467 OG SER A 99 -12.584 -9.938 -5.920 1.00 0.00 O ATOM 0 H SER A 99 -15.155 -9.680 -4.202 1.00 0.00 H new ATOM 0 HA SER A 99 -13.952 -7.141 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.631 -8.042 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.895 -8.158 -5.141 1.00 0.00 H new ATOM 0 HG SER A 99 -13.437 -10.313 -6.225 1.00 0.00 H new ATOM 1473 N SER A 100 -15.748 -6.993 -6.369 1.00 0.00 N ATOM 1474 CA SER A 100 -16.827 -6.859 -7.334 1.00 0.00 C ATOM 1475 C SER A 100 -16.559 -5.668 -8.256 1.00 0.00 C ATOM 1476 O SER A 100 -15.792 -4.771 -7.910 1.00 0.00 O ATOM 1477 CB SER A 100 -18.176 -6.695 -6.632 1.00 0.00 C ATOM 1478 OG SER A 100 -18.935 -7.901 -6.642 1.00 0.00 O ATOM 0 H SER A 100 -15.492 -6.128 -5.893 1.00 0.00 H new ATOM 0 HA SER A 100 -16.868 -7.770 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.012 -6.379 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.745 -5.905 -7.121 1.00 0.00 H new ATOM 0 HG SER A 100 -19.788 -7.754 -6.183 1.00 0.00 H new ATOM 1484 N GLY A 101 -17.207 -5.698 -9.411 1.00 0.00 N ATOM 1485 CA GLY A 101 -17.049 -4.632 -10.386 1.00 0.00 C ATOM 1486 C GLY A 101 -17.081 -3.261 -9.708 1.00 0.00 C ATOM 1487 O GLY A 101 -17.889 -3.026 -8.812 1.00 0.00 O ATOM 0 H GLY A 101 -17.843 -6.444 -9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.106 -4.757 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -17.844 -4.693 -11.129 1.00 0.00 H new TER 1491 GLY A 101