USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= -0.217 K(o=-1,f=-3!) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.793 X(o=-1,f=-0.61) 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= 0.00589 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.077 K(o=-0.077,f=-1.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -168:sc= -1.79 (180deg=-2.06) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0582 (180deg=-0.908) USER MOD Single : A 31 MET CE :methyl -123:sc=-0.00278 (180deg=-0.0882) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.082 USER MOD Single : A 45 SER OG : rot 180:sc= 0.108 USER MOD Single : A 46 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.32 (180deg=0.857) USER MOD Single : A 57 THR OG1 : rot 82:sc= 0.293 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0995 K(o=-0.099,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.01 (180deg=-0.142) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.752 -25.164 -17.515 1.00 0.00 N ATOM 2 CA GLY A 1 8.311 -25.654 -16.207 1.00 0.00 C ATOM 3 C GLY A 1 8.726 -24.655 -15.148 1.00 0.00 C ATOM 4 O GLY A 1 9.912 -24.563 -14.833 1.00 0.00 O ATOM 0 H1 GLY A 1 8.473 -25.842 -18.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.310 -24.242 -17.707 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.787 -25.059 -17.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.229 -25.786 -16.198 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.753 -26.629 -16.000 1.00 0.00 H new ATOM 8 N SER A 2 7.771 -23.890 -14.617 1.00 0.00 N ATOM 9 CA SER A 2 7.982 -22.977 -13.502 1.00 0.00 C ATOM 10 C SER A 2 6.627 -22.569 -12.917 1.00 0.00 C ATOM 11 O SER A 2 6.450 -22.607 -11.700 1.00 0.00 O ATOM 12 CB SER A 2 8.780 -21.748 -13.971 1.00 0.00 C ATOM 13 OG SER A 2 9.363 -21.040 -12.894 1.00 0.00 O ATOM 0 H SER A 2 6.810 -23.891 -14.960 1.00 0.00 H new ATOM 0 HA SER A 2 8.561 -23.473 -12.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.563 -22.068 -14.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.121 -21.081 -14.527 1.00 0.00 H new ATOM 0 HG SER A 2 9.860 -20.270 -13.240 1.00 0.00 H new ATOM 19 N SER A 3 5.657 -22.194 -13.759 1.00 0.00 N ATOM 20 CA SER A 3 4.377 -21.716 -13.260 1.00 0.00 C ATOM 21 C SER A 3 3.566 -22.844 -12.616 1.00 0.00 C ATOM 22 O SER A 3 3.796 -24.038 -12.859 1.00 0.00 O ATOM 23 CB SER A 3 3.570 -21.018 -14.367 1.00 0.00 C ATOM 24 OG SER A 3 2.955 -19.860 -13.828 1.00 0.00 O ATOM 0 H SER A 3 5.738 -22.214 -14.776 1.00 0.00 H new ATOM 0 HA SER A 3 4.587 -20.979 -12.485 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.224 -20.746 -15.196 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.814 -21.695 -14.766 1.00 0.00 H new ATOM 0 HG SER A 3 2.439 -19.408 -14.528 1.00 0.00 H new ATOM 30 N GLY A 4 2.578 -22.440 -11.828 1.00 0.00 N ATOM 31 CA GLY A 4 1.474 -23.255 -11.369 1.00 0.00 C ATOM 32 C GLY A 4 0.218 -22.483 -11.712 1.00 0.00 C ATOM 33 O GLY A 4 -0.087 -22.300 -12.893 1.00 0.00 O ATOM 0 H GLY A 4 2.528 -21.484 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.479 -24.230 -11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.541 -23.435 -10.296 1.00 0.00 H new ATOM 37 N SER A 5 -0.471 -21.969 -10.701 1.00 0.00 N ATOM 38 CA SER A 5 -1.574 -21.045 -10.889 1.00 0.00 C ATOM 39 C SER A 5 -1.748 -20.260 -9.600 1.00 0.00 C ATOM 40 O SER A 5 -2.011 -20.870 -8.562 1.00 0.00 O ATOM 41 CB SER A 5 -2.856 -21.798 -11.278 1.00 0.00 C ATOM 42 OG SER A 5 -2.953 -23.081 -10.668 1.00 0.00 O ATOM 0 H SER A 5 -0.276 -22.185 -9.723 1.00 0.00 H new ATOM 0 HA SER A 5 -1.361 -20.357 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.722 -21.200 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.889 -21.913 -12.361 1.00 0.00 H new ATOM 0 HG SER A 5 -3.786 -23.514 -10.948 1.00 0.00 H new ATOM 48 N SER A 6 -1.610 -18.941 -9.662 1.00 0.00 N ATOM 49 CA SER A 6 -2.132 -18.040 -8.651 1.00 0.00 C ATOM 50 C SER A 6 -3.451 -17.494 -9.197 1.00 0.00 C ATOM 51 O SER A 6 -3.521 -17.121 -10.373 1.00 0.00 O ATOM 52 CB SER A 6 -1.096 -16.951 -8.330 1.00 0.00 C ATOM 53 OG SER A 6 -0.393 -16.452 -9.459 1.00 0.00 O ATOM 0 H SER A 6 -1.127 -18.466 -10.425 1.00 0.00 H new ATOM 0 HA SER A 6 -2.324 -18.540 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.602 -16.121 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.375 -17.353 -7.618 1.00 0.00 H new ATOM 0 HG SER A 6 0.243 -15.765 -9.171 1.00 0.00 H new ATOM 59 N GLY A 7 -4.506 -17.464 -8.380 1.00 0.00 N ATOM 60 CA GLY A 7 -5.829 -16.992 -8.777 1.00 0.00 C ATOM 61 C GLY A 7 -6.939 -17.810 -8.121 1.00 0.00 C ATOM 62 O GLY A 7 -6.641 -18.737 -7.359 1.00 0.00 O ATOM 0 H GLY A 7 -4.462 -17.773 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.939 -15.943 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.926 -17.050 -9.861 1.00 0.00 H new ATOM 66 N ARG A 8 -8.198 -17.516 -8.476 1.00 0.00 N ATOM 67 CA ARG A 8 -9.452 -18.116 -7.992 1.00 0.00 C ATOM 68 C ARG A 8 -9.739 -17.775 -6.527 1.00 0.00 C ATOM 69 O ARG A 8 -8.888 -17.241 -5.816 1.00 0.00 O ATOM 70 CB ARG A 8 -9.501 -19.634 -8.262 1.00 0.00 C ATOM 71 CG ARG A 8 -9.597 -20.003 -9.752 1.00 0.00 C ATOM 72 CD ARG A 8 -9.092 -21.427 -10.009 1.00 0.00 C ATOM 73 NE ARG A 8 -9.727 -22.441 -9.145 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.343 -23.722 -9.061 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.332 -24.200 -9.773 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.988 -24.570 -8.274 1.00 0.00 N ATOM 0 H ARG A 8 -8.382 -16.790 -9.169 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.259 -17.665 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.608 -20.096 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.357 -20.058 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.632 -19.917 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.013 -19.296 -10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.273 -21.685 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.013 -21.455 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.516 -22.145 -8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.821 -23.587 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.065 -25.181 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.785 -24.250 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.687 -25.543 -8.218 1.00 0.00 H new ATOM 90 N GLY A 9 -10.957 -18.085 -6.077 1.00 0.00 N ATOM 91 CA GLY A 9 -11.491 -17.689 -4.781 1.00 0.00 C ATOM 92 C GLY A 9 -12.271 -16.383 -4.902 1.00 0.00 C ATOM 93 O GLY A 9 -12.222 -15.711 -5.935 1.00 0.00 O ATOM 0 H GLY A 9 -11.617 -18.637 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.141 -18.473 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.677 -17.568 -4.067 1.00 0.00 H new ATOM 97 N ARG A 10 -13.001 -16.012 -3.847 1.00 0.00 N ATOM 98 CA ARG A 10 -13.629 -14.695 -3.736 1.00 0.00 C ATOM 99 C ARG A 10 -12.622 -13.708 -3.137 1.00 0.00 C ATOM 100 O ARG A 10 -11.458 -14.059 -2.921 1.00 0.00 O ATOM 101 CB ARG A 10 -14.928 -14.791 -2.898 1.00 0.00 C ATOM 102 CG ARG A 10 -16.023 -13.772 -3.266 1.00 0.00 C ATOM 103 CD ARG A 10 -16.946 -14.143 -4.431 1.00 0.00 C ATOM 104 NE ARG A 10 -16.216 -14.564 -5.637 1.00 0.00 N ATOM 105 CZ ARG A 10 -16.139 -15.803 -6.132 1.00 0.00 C ATOM 106 NH1 ARG A 10 -16.924 -16.771 -5.672 1.00 0.00 N ATOM 107 NH2 ARG A 10 -15.254 -16.071 -7.083 1.00 0.00 N ATOM 0 H ARG A 10 -13.173 -16.618 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.914 -14.329 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.338 -15.795 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.673 -14.662 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.640 -13.603 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.540 -12.824 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.611 -14.948 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.575 -13.287 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.717 -13.835 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.597 -16.573 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.854 -17.712 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.640 -15.334 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.188 -17.014 -7.467 1.00 0.00 H new ATOM 121 N TYR A 11 -13.090 -12.493 -2.851 1.00 0.00 N ATOM 122 CA TYR A 11 -12.385 -11.458 -2.115 1.00 0.00 C ATOM 123 C TYR A 11 -11.685 -12.041 -0.891 1.00 0.00 C ATOM 124 O TYR A 11 -12.260 -12.850 -0.155 1.00 0.00 O ATOM 125 CB TYR A 11 -13.377 -10.384 -1.663 1.00 0.00 C ATOM 126 CG TYR A 11 -14.056 -9.619 -2.779 1.00 0.00 C ATOM 127 CD1 TYR A 11 -13.407 -8.520 -3.365 1.00 0.00 C ATOM 128 CD2 TYR A 11 -15.373 -9.935 -3.161 1.00 0.00 C ATOM 129 CE1 TYR A 11 -14.082 -7.703 -4.285 1.00 0.00 C ATOM 130 CE2 TYR A 11 -16.050 -9.134 -4.097 1.00 0.00 C ATOM 131 CZ TYR A 11 -15.408 -8.008 -4.659 1.00 0.00 C ATOM 132 OH TYR A 11 -16.060 -7.180 -5.519 1.00 0.00 O ATOM 0 H TYR A 11 -14.020 -12.194 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.634 -11.021 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -14.144 -10.857 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -12.852 -9.673 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.381 -8.302 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.865 -10.796 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.587 -6.841 -4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -17.061 -9.379 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 11 -16.963 -7.523 -5.682 1.00 0.00 H new ATOM 142 N ARG A 12 -10.435 -11.636 -0.684 1.00 0.00 N ATOM 143 CA ARG A 12 -9.596 -12.118 0.404 1.00 0.00 C ATOM 144 C ARG A 12 -8.506 -11.099 0.721 1.00 0.00 C ATOM 145 O ARG A 12 -8.386 -10.695 1.877 1.00 0.00 O ATOM 146 CB ARG A 12 -9.000 -13.477 -0.013 1.00 0.00 C ATOM 147 CG ARG A 12 -8.667 -14.401 1.165 1.00 0.00 C ATOM 148 CD ARG A 12 -9.363 -15.762 1.028 1.00 0.00 C ATOM 149 NE ARG A 12 -10.826 -15.606 1.000 1.00 0.00 N ATOM 150 CZ ARG A 12 -11.721 -16.373 0.374 1.00 0.00 C ATOM 151 NH1 ARG A 12 -11.367 -17.444 -0.334 1.00 0.00 N ATOM 152 NH2 ARG A 12 -12.998 -16.043 0.464 1.00 0.00 N ATOM 0 H ARG A 12 -9.970 -10.951 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.185 -12.250 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.705 -13.985 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.093 -13.302 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.588 -14.547 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.973 -13.927 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.029 -16.255 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.078 -16.405 1.860 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.202 -14.815 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.383 -17.702 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.080 -18.006 -0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.276 -15.222 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.705 -16.610 -0.004 1.00 0.00 H new ATOM 166 N GLN A 13 -7.744 -10.702 -0.304 1.00 0.00 N ATOM 167 CA GLN A 13 -6.495 -9.951 -0.226 1.00 0.00 C ATOM 168 C GLN A 13 -6.548 -8.736 -1.165 1.00 0.00 C ATOM 169 O GLN A 13 -7.373 -8.710 -2.086 1.00 0.00 O ATOM 170 CB GLN A 13 -5.325 -10.892 -0.567 1.00 0.00 C ATOM 171 CG GLN A 13 -5.218 -11.327 -2.042 1.00 0.00 C ATOM 172 CD GLN A 13 -6.297 -12.329 -2.442 1.00 0.00 C ATOM 173 OE1 GLN A 13 -7.349 -11.984 -2.986 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.100 -13.595 -2.111 1.00 0.00 N ATOM 0 H GLN A 13 -8.003 -10.912 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.346 -9.569 0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.394 -10.400 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.412 -11.786 0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.290 -10.447 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.236 -11.768 -2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.228 -13.875 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.820 -14.291 -2.306 1.00 0.00 H new ATOM 183 N TYR A 14 -5.651 -7.760 -1.008 1.00 0.00 N ATOM 184 CA TYR A 14 -5.574 -6.612 -1.911 1.00 0.00 C ATOM 185 C TYR A 14 -4.662 -6.958 -3.092 1.00 0.00 C ATOM 186 O TYR A 14 -3.633 -7.619 -2.904 1.00 0.00 O ATOM 187 CB TYR A 14 -5.104 -5.356 -1.156 1.00 0.00 C ATOM 188 CG TYR A 14 -3.675 -5.393 -0.615 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.599 -5.079 -1.461 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.398 -5.758 0.719 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.270 -5.236 -1.048 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.063 -5.896 1.154 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.993 -5.659 0.265 1.00 0.00 C ATOM 194 OH TYR A 14 0.292 -5.860 0.660 1.00 0.00 O ATOM 0 H TYR A 14 -4.962 -7.744 -0.256 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.565 -6.385 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.196 -4.500 -1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.783 -5.183 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.801 -4.707 -2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.210 -5.932 1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.461 -5.033 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.859 -6.185 2.174 1.00 0.00 H new ATOM 0 HH TYR A 14 0.305 -6.149 1.596 1.00 0.00 H new ATOM 204 N ASN A 15 -5.023 -6.505 -4.299 1.00 0.00 N ATOM 205 CA ASN A 15 -4.136 -6.506 -5.465 1.00 0.00 C ATOM 206 C ASN A 15 -3.031 -5.478 -5.241 1.00 0.00 C ATOM 207 O ASN A 15 -3.296 -4.432 -4.659 1.00 0.00 O ATOM 208 CB ASN A 15 -4.903 -6.162 -6.761 1.00 0.00 C ATOM 209 CG ASN A 15 -5.558 -7.366 -7.439 1.00 0.00 C ATOM 210 OD1 ASN A 15 -5.384 -8.509 -7.024 1.00 0.00 O ATOM 211 ND2 ASN A 15 -6.302 -7.149 -8.507 1.00 0.00 N ATOM 0 H ASN A 15 -5.949 -6.124 -4.494 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.715 -7.505 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.673 -5.426 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.214 -5.693 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.737 -7.933 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.442 -6.197 -8.846 1.00 0.00 H new ATOM 218 N SER A 16 -1.825 -5.698 -5.766 1.00 0.00 N ATOM 219 CA SER A 16 -0.744 -4.714 -5.711 1.00 0.00 C ATOM 220 C SER A 16 -1.172 -3.343 -6.256 1.00 0.00 C ATOM 221 O SER A 16 -0.654 -2.322 -5.817 1.00 0.00 O ATOM 222 CB SER A 16 0.458 -5.268 -6.479 1.00 0.00 C ATOM 223 OG SER A 16 1.107 -6.276 -5.721 1.00 0.00 O ATOM 0 H SER A 16 -1.570 -6.564 -6.241 1.00 0.00 H new ATOM 0 HA SER A 16 -0.473 -4.548 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.130 -5.677 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.159 -4.463 -6.701 1.00 0.00 H new ATOM 0 HG SER A 16 1.873 -6.622 -6.225 1.00 0.00 H new ATOM 229 N GLU A 17 -2.146 -3.310 -7.162 1.00 0.00 N ATOM 230 CA GLU A 17 -2.741 -2.100 -7.703 1.00 0.00 C ATOM 231 C GLU A 17 -3.604 -1.400 -6.642 1.00 0.00 C ATOM 232 O GLU A 17 -3.454 -0.196 -6.444 1.00 0.00 O ATOM 233 CB GLU A 17 -3.571 -2.493 -8.937 1.00 0.00 C ATOM 234 CG GLU A 17 -2.714 -3.174 -10.018 1.00 0.00 C ATOM 235 CD GLU A 17 -3.586 -3.800 -11.102 1.00 0.00 C ATOM 236 OE1 GLU A 17 -3.977 -4.977 -10.944 1.00 0.00 O ATOM 237 OE2 GLU A 17 -3.854 -3.140 -12.131 1.00 0.00 O ATOM 0 H GLU A 17 -2.555 -4.159 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.966 -1.391 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.374 -3.166 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.042 -1.603 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.041 -2.443 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.091 -3.942 -9.561 1.00 0.00 H new ATOM 244 N ILE A 18 -4.460 -2.145 -5.929 1.00 0.00 N ATOM 245 CA ILE A 18 -5.323 -1.672 -4.837 1.00 0.00 C ATOM 246 C ILE A 18 -4.489 -1.032 -3.728 1.00 0.00 C ATOM 247 O ILE A 18 -4.919 -0.068 -3.100 1.00 0.00 O ATOM 248 CB ILE A 18 -6.150 -2.863 -4.285 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.217 -3.316 -5.299 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.765 -2.613 -2.896 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.540 -2.579 -5.118 1.00 0.00 C ATOM 0 H ILE A 18 -4.575 -3.143 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.003 -0.912 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.436 -3.674 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.847 -3.150 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.384 -4.388 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.327 -3.493 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.970 -2.415 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.434 -1.754 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.258 -2.934 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.927 -2.766 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.382 -1.509 -5.252 1.00 0.00 H new ATOM 263 N LEU A 19 -3.302 -1.569 -3.465 1.00 0.00 N ATOM 264 CA LEU A 19 -2.397 -0.978 -2.494 1.00 0.00 C ATOM 265 C LEU A 19 -2.069 0.462 -2.879 1.00 0.00 C ATOM 266 O LEU A 19 -2.099 1.352 -2.032 1.00 0.00 O ATOM 267 CB LEU A 19 -1.153 -1.859 -2.396 1.00 0.00 C ATOM 268 CG LEU A 19 -0.037 -1.303 -1.510 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.521 -1.116 -0.072 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.105 -2.319 -1.538 1.00 0.00 C ATOM 0 H LEU A 19 -2.947 -2.414 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.864 -0.932 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.447 -2.836 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.757 -2.015 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 19 0.285 -0.329 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.292 -0.720 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.359 -0.419 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.842 -2.076 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.926 -1.961 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.750 -3.276 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.454 -2.446 -2.563 1.00 0.00 H new ATOM 282 N GLU A 20 -1.775 0.699 -4.154 1.00 0.00 N ATOM 283 CA GLU A 20 -1.377 2.006 -4.644 1.00 0.00 C ATOM 284 C GLU A 20 -2.543 2.984 -4.580 1.00 0.00 C ATOM 285 O GLU A 20 -2.321 4.147 -4.244 1.00 0.00 O ATOM 286 CB GLU A 20 -0.849 1.900 -6.072 1.00 0.00 C ATOM 287 CG GLU A 20 0.418 1.043 -6.134 1.00 0.00 C ATOM 288 CD GLU A 20 0.764 0.695 -7.571 1.00 0.00 C ATOM 289 OE1 GLU A 20 0.865 1.631 -8.393 1.00 0.00 O ATOM 290 OE2 GLU A 20 0.969 -0.506 -7.849 1.00 0.00 O ATOM 0 H GLU A 20 -1.808 -0.019 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.579 2.383 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.616 1.467 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.636 2.897 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.248 1.580 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.273 0.129 -5.559 1.00 0.00 H new ATOM 297 N GLU A 21 -3.768 2.529 -4.859 1.00 0.00 N ATOM 298 CA GLU A 21 -5.007 3.254 -4.637 1.00 0.00 C ATOM 299 C GLU A 21 -5.061 3.792 -3.215 1.00 0.00 C ATOM 300 O GLU A 21 -5.116 5.004 -3.016 1.00 0.00 O ATOM 301 CB GLU A 21 -6.197 2.355 -4.871 1.00 0.00 C ATOM 302 CG GLU A 21 -6.390 1.702 -6.237 1.00 0.00 C ATOM 303 CD GLU A 21 -7.056 2.664 -7.213 1.00 0.00 C ATOM 304 OE1 GLU A 21 -8.167 3.153 -6.897 1.00 0.00 O ATOM 305 OE2 GLU A 21 -6.531 2.859 -8.331 1.00 0.00 O ATOM 0 H GLU A 21 -3.922 1.605 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.040 4.086 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.153 1.556 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.093 2.938 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.425 1.387 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.000 0.805 -6.132 1.00 0.00 H new ATOM 312 N ALA A 22 -5.012 2.883 -2.242 1.00 0.00 N ATOM 313 CA ALA A 22 -5.206 3.166 -0.827 1.00 0.00 C ATOM 314 C ALA A 22 -4.094 4.034 -0.256 1.00 0.00 C ATOM 315 O ALA A 22 -4.249 4.623 0.812 1.00 0.00 O ATOM 316 CB ALA A 22 -5.237 1.836 -0.089 1.00 0.00 C ATOM 0 H ALA A 22 -4.830 1.897 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.139 3.717 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.381 2.014 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.058 1.228 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.294 1.312 -0.245 1.00 0.00 H new ATOM 322 N ILE A 23 -2.972 4.117 -0.959 1.00 0.00 N ATOM 323 CA ILE A 23 -1.920 5.062 -0.647 1.00 0.00 C ATOM 324 C ILE A 23 -2.329 6.423 -1.218 1.00 0.00 C ATOM 325 O ILE A 23 -2.335 7.407 -0.481 1.00 0.00 O ATOM 326 CB ILE A 23 -0.591 4.507 -1.178 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.153 3.303 -0.322 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.513 5.571 -1.149 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.798 2.392 -1.092 1.00 0.00 C ATOM 0 H ILE A 23 -2.770 3.525 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.774 5.206 0.424 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.746 4.199 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.335 3.658 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.031 2.736 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.440 5.144 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.219 6.417 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.665 5.909 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.088 1.552 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.299 2.018 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.687 2.954 -1.380 1.00 0.00 H new ATOM 341 N SER A 24 -2.703 6.487 -2.500 1.00 0.00 N ATOM 342 CA SER A 24 -3.065 7.714 -3.200 1.00 0.00 C ATOM 343 C SER A 24 -4.158 8.499 -2.457 1.00 0.00 C ATOM 344 O SER A 24 -3.994 9.707 -2.256 1.00 0.00 O ATOM 345 CB SER A 24 -3.464 7.384 -4.648 1.00 0.00 C ATOM 346 OG SER A 24 -3.551 8.572 -5.409 1.00 0.00 O ATOM 0 H SER A 24 -2.762 5.659 -3.093 1.00 0.00 H new ATOM 0 HA SER A 24 -2.195 8.371 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.730 6.711 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.422 6.864 -4.660 1.00 0.00 H new ATOM 0 HG SER A 24 -3.804 8.353 -6.330 1.00 0.00 H new ATOM 352 N VAL A 25 -5.235 7.842 -2.008 1.00 0.00 N ATOM 353 CA VAL A 25 -6.278 8.484 -1.203 1.00 0.00 C ATOM 354 C VAL A 25 -5.661 9.185 0.009 1.00 0.00 C ATOM 355 O VAL A 25 -5.848 10.382 0.196 1.00 0.00 O ATOM 356 CB VAL A 25 -7.381 7.480 -0.782 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.579 7.563 -1.724 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.916 6.055 -0.625 1.00 0.00 C ATOM 0 H VAL A 25 -5.406 6.854 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.763 9.239 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.681 7.790 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.340 6.849 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.993 8.571 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.260 7.328 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.757 5.428 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.513 5.697 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.141 6.007 0.140 1.00 0.00 H new ATOM 368 N VAL A 26 -4.929 8.455 0.839 1.00 0.00 N ATOM 369 CA VAL A 26 -4.301 8.952 2.057 1.00 0.00 C ATOM 370 C VAL A 26 -3.361 10.119 1.743 1.00 0.00 C ATOM 371 O VAL A 26 -3.394 11.134 2.441 1.00 0.00 O ATOM 372 CB VAL A 26 -3.595 7.784 2.778 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.906 8.239 4.067 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.603 6.692 3.163 1.00 0.00 C ATOM 0 H VAL A 26 -4.749 7.464 0.677 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.058 9.348 2.734 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.852 7.401 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.422 7.385 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.158 8.996 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.647 8.660 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.083 5.879 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.357 7.111 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.086 6.309 2.264 1.00 0.00 H new ATOM 384 N MET A 27 -2.561 10.010 0.683 1.00 0.00 N ATOM 385 CA MET A 27 -1.672 11.068 0.234 1.00 0.00 C ATOM 386 C MET A 27 -2.453 12.336 -0.105 1.00 0.00 C ATOM 387 O MET A 27 -2.104 13.404 0.394 1.00 0.00 O ATOM 388 CB MET A 27 -0.866 10.578 -0.966 1.00 0.00 C ATOM 389 CG MET A 27 0.179 9.557 -0.535 1.00 0.00 C ATOM 390 SD MET A 27 1.113 8.945 -1.946 1.00 0.00 S ATOM 391 CE MET A 27 2.697 8.780 -1.114 1.00 0.00 C ATOM 0 H MET A 27 -2.515 9.169 0.107 1.00 0.00 H new ATOM 0 HA MET A 27 -0.985 11.321 1.041 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.535 10.132 -1.702 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.377 11.423 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.859 10.011 0.185 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.310 8.724 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.481 8.614 -1.853 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.911 9.691 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.661 7.934 -0.428 1.00 0.00 H new ATOM 401 N SER A 28 -3.524 12.239 -0.894 1.00 0.00 N ATOM 402 CA SER A 28 -4.388 13.377 -1.190 1.00 0.00 C ATOM 403 C SER A 28 -5.348 13.698 -0.026 1.00 0.00 C ATOM 404 O SER A 28 -6.283 14.478 -0.209 1.00 0.00 O ATOM 405 CB SER A 28 -5.118 13.156 -2.529 1.00 0.00 C ATOM 406 OG SER A 28 -4.870 14.244 -3.408 1.00 0.00 O ATOM 0 H SER A 28 -3.814 11.371 -1.344 1.00 0.00 H new ATOM 0 HA SER A 28 -3.763 14.264 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.781 12.226 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.189 13.056 -2.355 1.00 0.00 H new ATOM 0 HG SER A 28 -5.337 14.092 -4.256 1.00 0.00 H new ATOM 412 N GLY A 29 -5.155 13.124 1.167 1.00 0.00 N ATOM 413 CA GLY A 29 -5.896 13.487 2.364 1.00 0.00 C ATOM 414 C GLY A 29 -7.349 13.038 2.316 1.00 0.00 C ATOM 415 O GLY A 29 -8.196 13.597 3.013 1.00 0.00 O ATOM 0 H GLY A 29 -4.469 12.385 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.412 13.044 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.859 14.568 2.495 1.00 0.00 H new ATOM 419 N LYS A 30 -7.667 12.030 1.498 1.00 0.00 N ATOM 420 CA LYS A 30 -9.028 11.523 1.362 1.00 0.00 C ATOM 421 C LYS A 30 -9.432 10.728 2.595 1.00 0.00 C ATOM 422 O LYS A 30 -10.626 10.634 2.880 1.00 0.00 O ATOM 423 CB LYS A 30 -9.145 10.680 0.084 1.00 0.00 C ATOM 424 CG LYS A 30 -8.764 11.435 -1.208 1.00 0.00 C ATOM 425 CD LYS A 30 -9.413 12.810 -1.431 1.00 0.00 C ATOM 426 CE LYS A 30 -10.891 12.769 -1.842 1.00 0.00 C ATOM 427 NZ LYS A 30 -11.812 12.378 -0.754 1.00 0.00 N ATOM 0 H LYS A 30 -6.986 11.546 0.914 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.716 12.365 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.506 9.803 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.170 10.319 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.682 11.566 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.015 10.800 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.322 13.391 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.852 13.340 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.181 13.752 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.007 12.070 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.755 12.778 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.878 11.341 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.452 12.740 0.152 1.00 0.00 H new ATOM 441 N MET A 31 -8.476 10.176 3.342 1.00 0.00 N ATOM 442 CA MET A 31 -8.685 9.543 4.638 1.00 0.00 C ATOM 443 C MET A 31 -7.341 9.313 5.337 1.00 0.00 C ATOM 444 O MET A 31 -6.290 9.551 4.745 1.00 0.00 O ATOM 445 CB MET A 31 -9.411 8.205 4.462 1.00 0.00 C ATOM 446 CG MET A 31 -8.675 7.211 3.583 1.00 0.00 C ATOM 447 SD MET A 31 -9.756 5.915 2.944 1.00 0.00 S ATOM 448 CE MET A 31 -10.551 6.811 1.616 1.00 0.00 C ATOM 0 H MET A 31 -7.500 10.158 3.048 1.00 0.00 H new ATOM 0 HA MET A 31 -9.298 10.203 5.252 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.569 7.758 5.443 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.396 8.392 4.034 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.216 7.740 2.748 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.866 6.755 4.155 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.632 6.789 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.206 7.845 1.617 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.301 6.346 0.662 1.00 0.00 H new ATOM 458 N SER A 32 -7.379 8.796 6.569 1.00 0.00 N ATOM 459 CA SER A 32 -6.204 8.383 7.326 1.00 0.00 C ATOM 460 C SER A 32 -5.715 7.005 6.855 1.00 0.00 C ATOM 461 O SER A 32 -6.441 6.307 6.138 1.00 0.00 O ATOM 462 CB SER A 32 -6.604 8.354 8.806 1.00 0.00 C ATOM 463 OG SER A 32 -7.752 7.543 8.991 1.00 0.00 O ATOM 0 H SER A 32 -8.252 8.651 7.076 1.00 0.00 H new ATOM 0 HA SER A 32 -5.380 9.079 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.779 7.969 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.806 9.367 9.155 1.00 0.00 H new ATOM 0 HG SER A 32 -7.995 7.532 9.940 1.00 0.00 H new ATOM 469 N VAL A 33 -4.533 6.573 7.315 1.00 0.00 N ATOM 470 CA VAL A 33 -4.042 5.209 7.112 1.00 0.00 C ATOM 471 C VAL A 33 -5.067 4.233 7.702 1.00 0.00 C ATOM 472 O VAL A 33 -5.559 3.372 6.980 1.00 0.00 O ATOM 473 CB VAL A 33 -2.628 5.009 7.719 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.055 3.628 7.379 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.622 6.058 7.224 1.00 0.00 C ATOM 0 H VAL A 33 -3.890 7.165 7.841 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.934 5.015 6.045 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.763 5.111 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.064 3.526 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.711 2.854 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.982 3.521 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.649 5.872 7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.533 5.994 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.968 7.054 7.502 1.00 0.00 H new ATOM 485 N SER A 34 -5.433 4.401 8.977 1.00 0.00 N ATOM 486 CA SER A 34 -6.352 3.536 9.713 1.00 0.00 C ATOM 487 C SER A 34 -7.672 3.332 8.955 1.00 0.00 C ATOM 488 O SER A 34 -8.221 2.226 8.910 1.00 0.00 O ATOM 489 CB SER A 34 -6.567 4.164 11.102 1.00 0.00 C ATOM 490 OG SER A 34 -7.282 3.312 11.970 1.00 0.00 O ATOM 0 H SER A 34 -5.082 5.173 9.543 1.00 0.00 H new ATOM 0 HA SER A 34 -5.926 2.539 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.600 4.401 11.545 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.107 5.105 10.993 1.00 0.00 H new ATOM 0 HG SER A 34 -7.394 3.750 12.840 1.00 0.00 H new ATOM 496 N LYS A 35 -8.177 4.404 8.340 1.00 0.00 N ATOM 497 CA LYS A 35 -9.382 4.390 7.533 1.00 0.00 C ATOM 498 C LYS A 35 -9.146 3.599 6.248 1.00 0.00 C ATOM 499 O LYS A 35 -9.711 2.515 6.114 1.00 0.00 O ATOM 500 CB LYS A 35 -9.842 5.824 7.345 1.00 0.00 C ATOM 501 CG LYS A 35 -11.108 5.903 6.489 1.00 0.00 C ATOM 502 CD LYS A 35 -12.002 7.033 6.964 1.00 0.00 C ATOM 503 CE LYS A 35 -13.121 7.270 5.951 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.925 8.452 6.305 1.00 0.00 N ATOM 0 H LYS A 35 -7.742 5.325 8.396 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.202 3.865 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.032 6.276 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.047 6.403 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.838 6.059 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.648 4.958 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.427 6.788 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.416 7.943 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.692 7.404 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.764 6.391 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.676 8.586 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.353 8.313 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.315 9.294 6.325 1.00 0.00 H new ATOM 518 N ALA A 36 -8.345 4.097 5.298 1.00 0.00 N ATOM 519 CA ALA A 36 -8.035 3.401 4.052 1.00 0.00 C ATOM 520 C ALA A 36 -7.625 1.942 4.223 1.00 0.00 C ATOM 521 O ALA A 36 -8.056 1.124 3.420 1.00 0.00 O ATOM 522 CB ALA A 36 -6.926 4.148 3.305 1.00 0.00 C ATOM 0 H ALA A 36 -7.890 5.007 5.378 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.965 3.392 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.697 3.626 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.258 5.161 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.032 4.189 3.927 1.00 0.00 H new ATOM 528 N GLN A 37 -6.870 1.574 5.255 1.00 0.00 N ATOM 529 CA GLN A 37 -6.591 0.186 5.597 1.00 0.00 C ATOM 530 C GLN A 37 -7.888 -0.618 5.569 1.00 0.00 C ATOM 531 O GLN A 37 -7.965 -1.655 4.915 1.00 0.00 O ATOM 532 CB GLN A 37 -5.890 0.173 6.968 1.00 0.00 C ATOM 533 CG GLN A 37 -6.068 -1.110 7.821 1.00 0.00 C ATOM 534 CD GLN A 37 -6.339 -0.902 9.308 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.011 0.119 9.898 1.00 0.00 O ATOM 536 NE2 GLN A 37 -6.933 -1.880 9.970 1.00 0.00 N ATOM 0 H GLN A 37 -6.429 2.244 5.885 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.926 -0.288 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.824 0.332 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.255 1.021 7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.891 -1.688 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.168 -1.716 7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.208 -2.733 9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.116 -1.782 10.969 1.00 0.00 H new ATOM 545 N SER A 38 -8.900 -0.141 6.285 1.00 0.00 N ATOM 546 CA SER A 38 -10.140 -0.853 6.466 1.00 0.00 C ATOM 547 C SER A 38 -10.970 -0.807 5.175 1.00 0.00 C ATOM 548 O SER A 38 -11.605 -1.803 4.822 1.00 0.00 O ATOM 549 CB SER A 38 -10.846 -0.188 7.647 1.00 0.00 C ATOM 550 OG SER A 38 -11.837 -1.026 8.205 1.00 0.00 O ATOM 0 H SER A 38 -8.873 0.762 6.758 1.00 0.00 H new ATOM 0 HA SER A 38 -9.983 -1.910 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.113 0.067 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.302 0.746 7.319 1.00 0.00 H new ATOM 0 HG SER A 38 -12.266 -0.569 8.958 1.00 0.00 H new ATOM 556 N ILE A 39 -10.950 0.328 4.462 1.00 0.00 N ATOM 557 CA ILE A 39 -11.671 0.528 3.207 1.00 0.00 C ATOM 558 C ILE A 39 -11.145 -0.439 2.143 1.00 0.00 C ATOM 559 O ILE A 39 -11.917 -1.181 1.531 1.00 0.00 O ATOM 560 CB ILE A 39 -11.617 2.014 2.778 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.336 2.864 3.855 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.185 2.245 1.366 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.860 4.230 3.414 1.00 0.00 C ATOM 0 H ILE A 39 -10.418 1.149 4.753 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.727 0.296 3.344 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.575 2.328 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.176 2.286 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.646 3.016 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.122 3.304 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.609 1.668 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.227 1.927 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.341 4.725 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.030 4.841 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.583 4.100 2.609 1.00 0.00 H new ATOM 575 N TYR A 40 -9.839 -0.402 1.901 1.00 0.00 N ATOM 576 CA TYR A 40 -9.160 -1.071 0.802 1.00 0.00 C ATOM 577 C TYR A 40 -8.720 -2.489 1.169 1.00 0.00 C ATOM 578 O TYR A 40 -8.424 -3.286 0.278 1.00 0.00 O ATOM 579 CB TYR A 40 -7.962 -0.209 0.394 1.00 0.00 C ATOM 580 CG TYR A 40 -8.340 1.057 -0.358 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.740 2.212 0.343 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.198 1.121 -1.753 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.042 3.404 -0.334 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.495 2.308 -2.435 1.00 0.00 C ATOM 585 CZ TYR A 40 -8.945 3.446 -1.740 1.00 0.00 C ATOM 586 OH TYR A 40 -9.247 4.586 -2.412 1.00 0.00 O ATOM 0 H TYR A 40 -9.196 0.121 2.496 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.851 -1.181 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.403 0.065 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.294 -0.804 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.816 2.180 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.859 0.254 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.346 4.281 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.377 2.350 -3.508 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.125 4.441 -3.374 1.00 0.00 H new ATOM 596 N GLY A 41 -8.704 -2.827 2.458 1.00 0.00 N ATOM 597 CA GLY A 41 -8.363 -4.158 2.933 1.00 0.00 C ATOM 598 C GLY A 41 -6.853 -4.340 3.034 1.00 0.00 C ATOM 599 O GLY A 41 -6.355 -5.450 2.857 1.00 0.00 O ATOM 0 H GLY A 41 -8.931 -2.173 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.818 -4.326 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.777 -4.905 2.256 1.00 0.00 H new ATOM 603 N ILE A 42 -6.109 -3.266 3.264 1.00 0.00 N ATOM 604 CA ILE A 42 -4.659 -3.276 3.399 1.00 0.00 C ATOM 605 C ILE A 42 -4.345 -3.467 4.892 1.00 0.00 C ATOM 606 O ILE A 42 -5.131 -3.006 5.717 1.00 0.00 O ATOM 607 CB ILE A 42 -4.091 -1.943 2.853 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.747 -1.423 1.563 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.567 -2.043 2.667 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.577 -2.284 0.321 1.00 0.00 C ATOM 0 H ILE A 42 -6.511 -2.334 3.365 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.198 -4.083 2.829 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.339 -1.205 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.814 -1.299 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.343 -0.433 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.185 -1.097 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.097 -2.262 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.338 -2.841 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.083 -1.812 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.516 -2.389 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.010 -3.269 0.499 1.00 0.00 H new ATOM 622 N PRO A 43 -3.246 -4.128 5.299 1.00 0.00 N ATOM 623 CA PRO A 43 -2.736 -4.011 6.662 1.00 0.00 C ATOM 624 C PRO A 43 -2.373 -2.562 6.972 1.00 0.00 C ATOM 625 O PRO A 43 -1.792 -1.900 6.110 1.00 0.00 O ATOM 626 CB PRO A 43 -1.471 -4.875 6.725 1.00 0.00 C ATOM 627 CG PRO A 43 -1.461 -5.692 5.436 1.00 0.00 C ATOM 628 CD PRO A 43 -2.379 -4.949 4.478 1.00 0.00 C ATOM 0 HA PRO A 43 -3.485 -4.332 7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.578 -4.255 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.485 -5.525 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.453 -5.773 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.816 -6.707 5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.803 -4.335 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.961 -5.648 3.876 1.00 0.00 H new ATOM 636 N HIS A 44 -2.617 -2.101 8.205 1.00 0.00 N ATOM 637 CA HIS A 44 -2.213 -0.754 8.598 1.00 0.00 C ATOM 638 C HIS A 44 -0.712 -0.606 8.414 1.00 0.00 C ATOM 639 O HIS A 44 -0.282 0.320 7.746 1.00 0.00 O ATOM 640 CB HIS A 44 -2.590 -0.425 10.047 1.00 0.00 C ATOM 641 CG HIS A 44 -2.407 1.042 10.384 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.410 1.902 10.765 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.239 1.766 10.376 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.872 3.114 10.963 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.550 3.079 10.745 1.00 0.00 N ATOM 0 H HIS A 44 -3.086 -2.636 8.936 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.748 -0.051 7.959 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.629 -0.706 10.220 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.981 -1.027 10.722 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.257 1.389 10.129 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.425 3.994 11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.898 3.858 10.831 1.00 0.00 H new ATOM 653 N SER A 45 0.072 -1.498 9.020 1.00 0.00 N ATOM 654 CA SER A 45 1.523 -1.401 9.091 1.00 0.00 C ATOM 655 C SER A 45 2.120 -1.266 7.687 1.00 0.00 C ATOM 656 O SER A 45 2.907 -0.362 7.415 1.00 0.00 O ATOM 657 CB SER A 45 2.065 -2.643 9.814 1.00 0.00 C ATOM 658 OG SER A 45 1.119 -3.198 10.723 1.00 0.00 O ATOM 0 H SER A 45 -0.297 -2.327 9.485 1.00 0.00 H new ATOM 0 HA SER A 45 1.810 -0.511 9.651 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.342 -3.397 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.973 -2.378 10.356 1.00 0.00 H new ATOM 0 HG SER A 45 1.507 -3.986 11.158 1.00 0.00 H new ATOM 664 N THR A 46 1.703 -2.148 6.775 1.00 0.00 N ATOM 665 CA THR A 46 2.128 -2.131 5.392 1.00 0.00 C ATOM 666 C THR A 46 1.695 -0.831 4.718 1.00 0.00 C ATOM 667 O THR A 46 2.541 -0.175 4.125 1.00 0.00 O ATOM 668 CB THR A 46 1.570 -3.380 4.695 1.00 0.00 C ATOM 669 OG1 THR A 46 1.905 -4.531 5.450 1.00 0.00 O ATOM 670 CG2 THR A 46 2.041 -3.541 3.248 1.00 0.00 C ATOM 0 H THR A 46 1.050 -2.902 6.990 1.00 0.00 H new ATOM 0 HA THR A 46 3.215 -2.161 5.322 1.00 0.00 H new ATOM 0 HB THR A 46 0.488 -3.256 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.691 -5.335 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.606 -4.445 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.725 -2.676 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.128 -3.616 3.225 1.00 0.00 H new ATOM 678 N LEU A 47 0.418 -0.443 4.806 1.00 0.00 N ATOM 679 CA LEU A 47 -0.097 0.804 4.261 1.00 0.00 C ATOM 680 C LEU A 47 0.761 1.965 4.738 1.00 0.00 C ATOM 681 O LEU A 47 1.214 2.738 3.909 1.00 0.00 O ATOM 682 CB LEU A 47 -1.573 1.014 4.649 1.00 0.00 C ATOM 683 CG LEU A 47 -2.218 2.223 3.943 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.452 1.938 2.468 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.627 2.483 4.476 1.00 0.00 C ATOM 0 H LEU A 47 -0.297 -1.004 5.270 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.051 0.754 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.138 0.114 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.643 1.151 5.728 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.535 3.056 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.908 2.809 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.500 1.720 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.116 1.080 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.058 3.341 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.249 1.605 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.579 2.688 5.545 1.00 0.00 H new ATOM 697 N GLU A 48 1.011 2.071 6.044 1.00 0.00 N ATOM 698 CA GLU A 48 1.835 3.102 6.651 1.00 0.00 C ATOM 699 C GLU A 48 3.186 3.129 5.941 1.00 0.00 C ATOM 700 O GLU A 48 3.489 4.110 5.265 1.00 0.00 O ATOM 701 CB GLU A 48 1.996 2.879 8.172 1.00 0.00 C ATOM 702 CG GLU A 48 1.554 4.118 8.969 1.00 0.00 C ATOM 703 CD GLU A 48 2.060 4.109 10.405 1.00 0.00 C ATOM 704 OE1 GLU A 48 2.026 3.061 11.078 1.00 0.00 O ATOM 705 OE2 GLU A 48 2.529 5.176 10.866 1.00 0.00 O ATOM 0 H GLU A 48 0.629 1.416 6.726 1.00 0.00 H new ATOM 0 HA GLU A 48 1.347 4.070 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.405 2.016 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.037 2.650 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.916 5.015 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.465 4.172 8.973 1.00 0.00 H new ATOM 712 N TYR A 49 3.971 2.050 6.056 1.00 0.00 N ATOM 713 CA TYR A 49 5.286 1.908 5.438 1.00 0.00 C ATOM 714 C TYR A 49 5.233 2.365 3.981 1.00 0.00 C ATOM 715 O TYR A 49 6.078 3.127 3.525 1.00 0.00 O ATOM 716 CB TYR A 49 5.728 0.431 5.541 1.00 0.00 C ATOM 717 CG TYR A 49 6.926 0.046 4.686 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.765 -0.144 3.301 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.197 -0.130 5.257 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.867 -0.394 2.463 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.297 -0.432 4.436 1.00 0.00 C ATOM 722 CZ TYR A 49 9.157 -0.515 3.033 1.00 0.00 C ATOM 723 OH TYR A 49 10.271 -0.678 2.261 1.00 0.00 O ATOM 0 H TYR A 49 3.696 1.231 6.598 1.00 0.00 H new ATOM 0 HA TYR A 49 6.012 2.534 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.961 0.211 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.886 -0.203 5.262 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.775 -0.097 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.329 -0.033 6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.730 -0.493 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.264 -0.603 4.885 1.00 0.00 H new ATOM 0 HH TYR A 49 11.062 -0.740 2.837 1.00 0.00 H new ATOM 733 N LYS A 50 4.252 1.877 3.227 1.00 0.00 N ATOM 734 CA LYS A 50 4.164 2.065 1.795 1.00 0.00 C ATOM 735 C LYS A 50 3.830 3.519 1.463 1.00 0.00 C ATOM 736 O LYS A 50 4.474 4.066 0.573 1.00 0.00 O ATOM 737 CB LYS A 50 3.143 1.060 1.255 1.00 0.00 C ATOM 738 CG LYS A 50 3.623 -0.396 1.186 1.00 0.00 C ATOM 739 CD LYS A 50 4.828 -0.636 0.267 1.00 0.00 C ATOM 740 CE LYS A 50 4.907 -2.116 -0.110 1.00 0.00 C ATOM 741 NZ LYS A 50 6.063 -2.428 -0.972 1.00 0.00 N ATOM 0 H LYS A 50 3.482 1.328 3.610 1.00 0.00 H new ATOM 0 HA LYS A 50 5.120 1.874 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.252 1.101 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.844 1.374 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.880 -0.726 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.796 -1.020 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.738 -0.027 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.746 -0.330 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.966 -2.715 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.989 -2.405 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.065 -3.444 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.997 -1.880 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.943 -2.180 -0.476 1.00 0.00 H new ATOM 755 N VAL A 51 2.920 4.175 2.189 1.00 0.00 N ATOM 756 CA VAL A 51 2.703 5.619 2.122 1.00 0.00 C ATOM 757 C VAL A 51 4.037 6.333 2.376 1.00 0.00 C ATOM 758 O VAL A 51 4.450 7.168 1.576 1.00 0.00 O ATOM 759 CB VAL A 51 1.626 6.040 3.153 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.435 7.554 3.243 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.221 5.490 2.892 1.00 0.00 C ATOM 0 H VAL A 51 2.303 3.706 2.852 1.00 0.00 H new ATOM 0 HA VAL A 51 2.339 5.901 1.134 1.00 0.00 H new ATOM 0 HB VAL A 51 2.036 5.616 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.667 7.781 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.374 8.022 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.128 7.940 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.458 5.842 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.130 5.835 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.249 4.400 2.902 1.00 0.00 H new ATOM 771 N LYS A 52 4.698 6.015 3.491 1.00 0.00 N ATOM 772 CA LYS A 52 5.904 6.681 3.998 1.00 0.00 C ATOM 773 C LYS A 52 7.048 6.566 3.006 1.00 0.00 C ATOM 774 O LYS A 52 7.815 7.507 2.844 1.00 0.00 O ATOM 775 CB LYS A 52 6.236 6.067 5.370 1.00 0.00 C ATOM 776 CG LYS A 52 5.191 6.552 6.394 1.00 0.00 C ATOM 777 CD LYS A 52 4.809 5.521 7.461 1.00 0.00 C ATOM 778 CE LYS A 52 5.309 5.806 8.881 1.00 0.00 C ATOM 779 NZ LYS A 52 4.439 6.728 9.639 1.00 0.00 N ATOM 0 H LYS A 52 4.394 5.251 4.095 1.00 0.00 H new ATOM 0 HA LYS A 52 5.734 7.751 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.228 4.979 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.237 6.362 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.576 7.442 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.290 6.851 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.722 5.442 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.191 4.548 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.389 4.865 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.312 6.229 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.965 7.116 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.134 7.505 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.604 6.213 9.984 1.00 0.00 H new ATOM 793 N GLU A 53 7.123 5.449 2.298 1.00 0.00 N ATOM 794 CA GLU A 53 8.061 5.215 1.227 1.00 0.00 C ATOM 795 C GLU A 53 7.669 6.029 -0.002 1.00 0.00 C ATOM 796 O GLU A 53 8.473 6.816 -0.513 1.00 0.00 O ATOM 797 CB GLU A 53 8.149 3.712 0.952 1.00 0.00 C ATOM 798 CG GLU A 53 9.333 3.072 1.689 1.00 0.00 C ATOM 799 CD GLU A 53 10.727 3.404 1.134 1.00 0.00 C ATOM 800 OE1 GLU A 53 11.340 4.435 1.515 1.00 0.00 O ATOM 801 OE2 GLU A 53 11.258 2.570 0.376 1.00 0.00 O ATOM 0 H GLU A 53 6.506 4.655 2.466 1.00 0.00 H new ATOM 0 HA GLU A 53 9.058 5.551 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.222 3.230 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.252 3.543 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.296 3.381 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.205 1.990 1.672 1.00 0.00 H new ATOM 808 N ARG A 54 6.433 5.855 -0.490 1.00 0.00 N ATOM 809 CA ARG A 54 5.940 6.523 -1.695 1.00 0.00 C ATOM 810 C ARG A 54 5.950 8.047 -1.550 1.00 0.00 C ATOM 811 O ARG A 54 5.963 8.730 -2.571 1.00 0.00 O ATOM 812 CB ARG A 54 4.537 6.004 -2.083 1.00 0.00 C ATOM 813 CG ARG A 54 4.510 4.584 -2.680 1.00 0.00 C ATOM 814 CD ARG A 54 3.808 4.495 -4.050 1.00 0.00 C ATOM 815 NE ARG A 54 2.333 4.600 -3.992 1.00 0.00 N ATOM 816 CZ ARG A 54 1.594 5.642 -4.408 1.00 0.00 C ATOM 817 NH1 ARG A 54 2.158 6.790 -4.745 1.00 0.00 N ATOM 818 NH2 ARG A 54 0.267 5.577 -4.482 1.00 0.00 N ATOM 0 H ARG A 54 5.745 5.241 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 54 6.626 6.276 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.902 6.022 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.098 6.693 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.534 4.225 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.007 3.916 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.191 5.288 -4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.074 3.548 -4.519 1.00 0.00 H new ATOM 0 HE ARG A 54 1.829 3.805 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.171 6.896 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.580 7.570 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.217 4.719 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.266 6.386 -4.802 1.00 0.00 H new ATOM 832 N LEU A 55 6.007 8.584 -0.328 1.00 0.00 N ATOM 833 CA LEU A 55 6.217 10.002 -0.022 1.00 0.00 C ATOM 834 C LEU A 55 7.593 10.517 -0.462 1.00 0.00 C ATOM 835 O LEU A 55 7.891 11.701 -0.263 1.00 0.00 O ATOM 836 CB LEU A 55 5.997 10.241 1.485 1.00 0.00 C ATOM 837 CG LEU A 55 4.520 10.480 1.833 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.285 10.230 3.318 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.075 11.906 1.491 1.00 0.00 C ATOM 0 H LEU A 55 5.903 8.016 0.513 1.00 0.00 H new ATOM 0 HA LEU A 55 5.487 10.571 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.364 9.380 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.586 11.101 1.803 1.00 0.00 H new ATOM 0 HG LEU A 55 3.931 9.784 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.235 10.402 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.547 9.200 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.905 10.909 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.024 12.032 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.677 12.620 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.206 12.082 0.423 1.00 0.00 H new ATOM 851 N GLY A 56 8.456 9.664 -1.022 1.00 0.00 N ATOM 852 CA GLY A 56 9.631 10.070 -1.782 1.00 0.00 C ATOM 853 C GLY A 56 10.950 9.702 -1.112 1.00 0.00 C ATOM 854 O GLY A 56 12.000 10.150 -1.569 1.00 0.00 O ATOM 0 H GLY A 56 8.351 8.652 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.593 9.607 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.599 11.149 -1.935 1.00 0.00 H new ATOM 858 N THR A 57 10.945 8.914 -0.033 1.00 0.00 N ATOM 859 CA THR A 57 12.194 8.395 0.537 1.00 0.00 C ATOM 860 C THR A 57 12.845 7.362 -0.390 1.00 0.00 C ATOM 861 O THR A 57 14.006 6.992 -0.215 1.00 0.00 O ATOM 862 CB THR A 57 11.917 7.768 1.908 1.00 0.00 C ATOM 863 OG1 THR A 57 10.770 6.970 1.871 1.00 0.00 O ATOM 864 CG2 THR A 57 11.653 8.842 2.969 1.00 0.00 C ATOM 0 H THR A 57 10.101 8.623 0.460 1.00 0.00 H new ATOM 0 HA THR A 57 12.888 9.228 0.650 1.00 0.00 H new ATOM 0 HB THR A 57 12.801 7.181 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.995 6.090 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.460 8.365 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.525 9.491 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.786 9.435 2.678 1.00 0.00 H new ATOM 872 N LEU A 58 12.084 6.859 -1.359 1.00 0.00 N ATOM 873 CA LEU A 58 12.538 5.976 -2.416 1.00 0.00 C ATOM 874 C LEU A 58 13.543 6.706 -3.302 1.00 0.00 C ATOM 875 O LEU A 58 13.567 7.939 -3.349 1.00 0.00 O ATOM 876 CB LEU A 58 11.309 5.557 -3.234 1.00 0.00 C ATOM 877 CG LEU A 58 10.373 4.649 -2.417 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.927 4.797 -2.887 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.738 3.179 -2.597 1.00 0.00 C ATOM 0 H LEU A 58 11.088 7.069 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 58 13.030 5.096 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.766 6.445 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.631 5.034 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 58 10.481 4.951 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.284 4.146 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.608 5.832 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.856 4.519 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.060 2.561 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.653 2.909 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.762 3.015 -2.262 1.00 0.00 H new ATOM 891 N LYS A 59 14.307 5.931 -4.078 1.00 0.00 N ATOM 892 CA LYS A 59 15.281 6.423 -5.057 1.00 0.00 C ATOM 893 C LYS A 59 16.432 7.183 -4.388 1.00 0.00 C ATOM 894 O LYS A 59 17.016 8.076 -5.001 1.00 0.00 O ATOM 895 CB LYS A 59 14.605 7.232 -6.172 1.00 0.00 C ATOM 896 CG LYS A 59 13.587 6.384 -6.948 1.00 0.00 C ATOM 897 CD LYS A 59 12.548 7.282 -7.601 1.00 0.00 C ATOM 898 CE LYS A 59 13.173 8.258 -8.603 1.00 0.00 C ATOM 899 NZ LYS A 59 12.188 9.239 -9.090 1.00 0.00 N ATOM 0 H LYS A 59 14.263 4.913 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 59 15.730 5.552 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.104 8.099 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.363 7.610 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.098 5.794 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.099 5.681 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.807 6.666 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.020 7.844 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.006 8.780 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.582 7.702 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.645 9.884 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.406 8.741 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.817 9.786 -8.287 1.00 0.00 H new ATOM 913 N ASN A 60 16.781 6.847 -3.142 1.00 0.00 N ATOM 914 CA ASN A 60 17.922 7.447 -2.452 1.00 0.00 C ATOM 915 C ASN A 60 18.894 6.338 -2.024 1.00 0.00 C ATOM 916 O ASN A 60 18.910 5.953 -0.851 1.00 0.00 O ATOM 917 CB ASN A 60 17.433 8.339 -1.301 1.00 0.00 C ATOM 918 CG ASN A 60 18.540 9.239 -0.762 1.00 0.00 C ATOM 919 OD1 ASN A 60 19.734 9.000 -0.950 1.00 0.00 O ATOM 920 ND2 ASN A 60 18.167 10.323 -0.104 1.00 0.00 N ATOM 0 H ASN A 60 16.281 6.153 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 60 18.479 8.107 -3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.603 8.954 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.051 7.713 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.870 10.970 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.176 10.512 0.047 1.00 0.00 H new ATOM 927 N PRO A 61 19.667 5.762 -2.966 1.00 0.00 N ATOM 928 CA PRO A 61 20.606 4.686 -2.669 1.00 0.00 C ATOM 929 C PRO A 61 21.848 5.223 -1.939 1.00 0.00 C ATOM 930 O PRO A 61 22.144 6.420 -2.017 1.00 0.00 O ATOM 931 CB PRO A 61 20.978 4.097 -4.035 1.00 0.00 C ATOM 932 CG PRO A 61 20.882 5.301 -4.969 1.00 0.00 C ATOM 933 CD PRO A 61 19.707 6.085 -4.388 1.00 0.00 C ATOM 0 HA PRO A 61 20.172 3.936 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.981 3.670 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 61 20.294 3.302 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.800 5.888 -4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 61 20.697 5.000 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.840 7.156 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.773 5.807 -4.877 1.00 0.00 H new ATOM 941 N PRO A 62 22.630 4.361 -1.272 1.00 0.00 N ATOM 942 CA PRO A 62 23.886 4.771 -0.661 1.00 0.00 C ATOM 943 C PRO A 62 24.933 5.100 -1.730 1.00 0.00 C ATOM 944 O PRO A 62 25.022 4.418 -2.754 1.00 0.00 O ATOM 945 CB PRO A 62 24.325 3.579 0.186 1.00 0.00 C ATOM 946 CG PRO A 62 23.688 2.378 -0.507 1.00 0.00 C ATOM 947 CD PRO A 62 22.388 2.941 -1.071 1.00 0.00 C ATOM 0 HA PRO A 62 23.771 5.674 -0.062 1.00 0.00 H new ATOM 0 HB2 PRO A 62 25.411 3.491 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 62 23.982 3.674 1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 62 24.329 1.982 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 62 23.502 1.563 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 62 22.124 2.452 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 62 21.559 2.779 -0.382 1.00 0.00 H new ATOM 955 N LYS A 63 25.778 6.093 -1.440 1.00 0.00 N ATOM 956 CA LYS A 63 26.887 6.534 -2.297 1.00 0.00 C ATOM 957 C LYS A 63 28.238 6.355 -1.592 1.00 0.00 C ATOM 958 O LYS A 63 29.269 6.333 -2.256 1.00 0.00 O ATOM 959 CB LYS A 63 26.620 7.988 -2.736 1.00 0.00 C ATOM 960 CG LYS A 63 27.485 8.499 -3.899 1.00 0.00 C ATOM 961 CD LYS A 63 27.030 9.908 -4.321 1.00 0.00 C ATOM 962 CE LYS A 63 27.623 10.392 -5.650 1.00 0.00 C ATOM 963 NZ LYS A 63 29.051 10.756 -5.573 1.00 0.00 N ATOM 0 H LYS A 63 25.709 6.630 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 63 26.943 5.913 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.571 8.076 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.774 8.642 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.533 8.522 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.410 7.816 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.943 9.918 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.302 10.615 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.498 9.609 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.056 11.257 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.379 11.073 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.177 11.524 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.605 9.928 -5.274 1.00 0.00 H new ATOM 977 N LYS A 64 28.245 6.187 -0.261 1.00 0.00 N ATOM 978 CA LYS A 64 29.397 5.799 0.565 1.00 0.00 C ATOM 979 C LYS A 64 29.103 4.490 1.316 1.00 0.00 C ATOM 980 O LYS A 64 29.744 4.182 2.319 1.00 0.00 O ATOM 981 CB LYS A 64 29.798 6.932 1.536 1.00 0.00 C ATOM 982 CG LYS A 64 30.679 8.037 0.937 1.00 0.00 C ATOM 983 CD LYS A 64 29.949 8.946 -0.059 1.00 0.00 C ATOM 984 CE LYS A 64 30.517 10.372 -0.094 1.00 0.00 C ATOM 985 NZ LYS A 64 30.214 11.121 1.146 1.00 0.00 N ATOM 0 H LYS A 64 27.402 6.326 0.297 1.00 0.00 H new ATOM 0 HA LYS A 64 30.247 5.626 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 64 28.889 7.389 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.324 6.491 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.077 8.649 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 31.531 7.577 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.014 8.510 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.892 8.988 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 64 31.597 10.329 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 64 30.104 10.906 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 30.350 12.138 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 29.228 10.945 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 30.851 10.806 1.906 1.00 0.00 H new ATOM 999 N LYS A 65 28.118 3.705 0.878 1.00 0.00 N ATOM 1000 CA LYS A 65 27.971 2.302 1.258 1.00 0.00 C ATOM 1001 C LYS A 65 27.735 1.542 -0.034 1.00 0.00 C ATOM 1002 O LYS A 65 27.255 2.129 -1.004 1.00 0.00 O ATOM 1003 CB LYS A 65 26.820 2.087 2.262 1.00 0.00 C ATOM 1004 CG LYS A 65 27.318 1.363 3.519 1.00 0.00 C ATOM 1005 CD LYS A 65 26.187 1.135 4.525 1.00 0.00 C ATOM 1006 CE LYS A 65 26.723 0.553 5.838 1.00 0.00 C ATOM 1007 NZ LYS A 65 26.862 -0.916 5.801 1.00 0.00 N ATOM 0 H LYS A 65 27.391 4.031 0.241 1.00 0.00 H new ATOM 0 HA LYS A 65 28.864 1.945 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 65 26.389 3.049 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 26.027 1.505 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 65 27.754 0.404 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 65 28.109 1.949 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 65 25.677 2.078 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 65 25.448 0.457 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 65 27.693 0.999 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 65 26.053 0.829 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 27.228 -1.253 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 25.934 -1.348 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 27.523 -1.183 5.044 1.00 0.00 H new ATOM 1021 N MET A 66 28.063 0.258 -0.044 1.00 0.00 N ATOM 1022 CA MET A 66 27.938 -0.596 -1.209 1.00 0.00 C ATOM 1023 C MET A 66 27.831 -2.005 -0.632 1.00 0.00 C ATOM 1024 O MET A 66 28.822 -2.528 -0.116 1.00 0.00 O ATOM 1025 CB MET A 66 29.163 -0.375 -2.132 1.00 0.00 C ATOM 1026 CG MET A 66 28.850 -0.454 -3.632 1.00 0.00 C ATOM 1027 SD MET A 66 29.087 -2.069 -4.421 1.00 0.00 S ATOM 1028 CE MET A 66 28.486 -1.663 -6.087 1.00 0.00 C ATOM 0 H MET A 66 28.430 -0.226 0.775 1.00 0.00 H new ATOM 0 HA MET A 66 27.072 -0.390 -1.838 1.00 0.00 H new ATOM 0 HB2 MET A 66 29.595 0.602 -1.914 1.00 0.00 H new ATOM 0 HB3 MET A 66 29.922 -1.119 -1.892 1.00 0.00 H new ATOM 0 HG2 MET A 66 27.814 -0.150 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 66 29.474 0.274 -4.150 1.00 0.00 H new ATOM 0 HE1 MET A 66 28.556 -2.545 -6.724 1.00 0.00 H new ATOM 0 HE2 MET A 66 27.447 -1.338 -6.030 1.00 0.00 H new ATOM 0 HE3 MET A 66 29.094 -0.862 -6.508 1.00 0.00 H new ATOM 1038 N LYS A 67 26.623 -2.582 -0.611 1.00 0.00 N ATOM 1039 CA LYS A 67 26.464 -3.983 -0.229 1.00 0.00 C ATOM 1040 C LYS A 67 27.266 -4.825 -1.216 1.00 0.00 C ATOM 1041 O LYS A 67 26.999 -4.788 -2.420 1.00 0.00 O ATOM 1042 CB LYS A 67 24.990 -4.428 -0.114 1.00 0.00 C ATOM 1043 CG LYS A 67 24.060 -4.097 -1.300 1.00 0.00 C ATOM 1044 CD LYS A 67 22.688 -4.795 -1.217 1.00 0.00 C ATOM 1045 CE LYS A 67 22.829 -6.317 -1.388 1.00 0.00 C ATOM 1046 NZ LYS A 67 21.550 -7.052 -1.319 1.00 0.00 N ATOM 0 H LYS A 67 25.754 -2.105 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 67 26.851 -4.127 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 67 24.974 -5.507 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 67 24.569 -3.974 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.908 -3.018 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.551 -4.387 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.223 -4.576 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.028 -4.399 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.302 -6.522 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.497 -6.698 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.727 -8.069 -1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 21.105 -6.888 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.916 -6.717 -2.072 1.00 0.00 H new ATOM 1060 N LEU A 68 28.261 -5.549 -0.728 1.00 0.00 N ATOM 1061 CA LEU A 68 29.069 -6.478 -1.496 1.00 0.00 C ATOM 1062 C LEU A 68 29.191 -7.710 -0.624 1.00 0.00 C ATOM 1063 O LEU A 68 29.602 -7.598 0.533 1.00 0.00 O ATOM 1064 CB LEU A 68 30.444 -5.868 -1.819 1.00 0.00 C ATOM 1065 CG LEU A 68 31.407 -6.861 -2.506 1.00 0.00 C ATOM 1066 CD1 LEU A 68 30.891 -7.317 -3.876 1.00 0.00 C ATOM 1067 CD2 LEU A 68 32.783 -6.212 -2.677 1.00 0.00 C ATOM 0 H LEU A 68 28.537 -5.502 0.253 1.00 0.00 H new ATOM 0 HA LEU A 68 28.620 -6.718 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 68 30.306 -5.001 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 68 30.900 -5.509 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 68 31.477 -7.740 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 68 31.602 -8.014 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 68 29.927 -7.810 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 68 30.777 -6.451 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 68 33.459 -6.916 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 32.689 -5.317 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 68 33.181 -5.941 -1.699 1.00 0.00 H new ATOM 1079 N MET A 69 28.790 -8.860 -1.140 1.00 0.00 N ATOM 1080 CA MET A 69 28.956 -10.155 -0.505 1.00 0.00 C ATOM 1081 C MET A 69 29.141 -11.191 -1.617 1.00 0.00 C ATOM 1082 O MET A 69 29.044 -10.852 -2.804 1.00 0.00 O ATOM 1083 CB MET A 69 27.738 -10.439 0.397 1.00 0.00 C ATOM 1084 CG MET A 69 28.099 -11.342 1.578 1.00 0.00 C ATOM 1085 SD MET A 69 26.820 -11.423 2.855 1.00 0.00 S ATOM 1086 CE MET A 69 27.778 -12.199 4.183 1.00 0.00 C ATOM 0 H MET A 69 28.323 -8.918 -2.045 1.00 0.00 H new ATOM 0 HA MET A 69 29.832 -10.190 0.142 1.00 0.00 H new ATOM 0 HB2 MET A 69 27.336 -9.497 0.770 1.00 0.00 H new ATOM 0 HB3 MET A 69 26.952 -10.910 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 69 28.293 -12.349 1.207 1.00 0.00 H new ATOM 0 HG3 MET A 69 29.025 -10.984 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 69 27.145 -12.329 5.061 1.00 0.00 H new ATOM 0 HE2 MET A 69 28.140 -13.172 3.850 1.00 0.00 H new ATOM 0 HE3 MET A 69 28.626 -11.564 4.439 1.00 0.00 H new ATOM 1096 N ARG A 70 29.428 -12.433 -1.254 1.00 0.00 N ATOM 1097 CA ARG A 70 29.407 -13.601 -2.114 1.00 0.00 C ATOM 1098 C ARG A 70 28.788 -14.697 -1.284 1.00 0.00 C ATOM 1099 O ARG A 70 28.965 -14.692 -0.044 1.00 0.00 O ATOM 1100 CB ARG A 70 30.824 -13.989 -2.574 1.00 0.00 C ATOM 1101 CG ARG A 70 31.135 -13.473 -3.985 1.00 0.00 C ATOM 1102 CD ARG A 70 32.631 -13.632 -4.281 1.00 0.00 C ATOM 1103 NE ARG A 70 32.950 -13.331 -5.685 1.00 0.00 N ATOM 1104 CZ ARG A 70 33.178 -12.132 -6.236 1.00 0.00 C ATOM 1105 NH1 ARG A 70 33.102 -11.005 -5.533 1.00 0.00 N ATOM 1106 NH2 ARG A 70 33.494 -12.071 -7.522 1.00 0.00 N ATOM 0 H ARG A 70 29.696 -12.662 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 70 28.841 -13.413 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 70 31.555 -13.587 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 70 30.926 -15.074 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 70 30.549 -14.024 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 70 30.848 -12.425 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 70 33.202 -12.970 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 32.940 -14.651 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 70 33.004 -14.132 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 70 32.864 -11.037 -4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 70 33.282 -10.109 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 70 33.560 -12.927 -8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 70 33.672 -11.168 -7.961 1.00 0.00 H new TER 1120 ARG A 70