USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 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 38 GLN : amide:sc=-0.00404 K(o=-0.37,f=-2.7) USER MOD Set 1.2: A 40 ASN : amide:sc= -0.364 X(o=-0.37,f=0.099) USER MOD Set 2.1: A 14 MET CE :methyl -127:sc= -5.09 (180deg=-10.5!) USER MOD Set 2.2: A 50 CYS SG : rot 71:sc= 0.79 USER MOD Set 2.3: A 65 SER OG : rot -170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0544 (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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -51:sc= 0.361 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0035 X(o=-0.0035,f=-0.27) USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 23 THR OG1 : rot 85:sc= 0.0135 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= -0.0722 (180deg=-0.0747) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= -0.542 (180deg=-0.542) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc=-0.00818 (180deg=-0.185) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 0.756 (180deg=-0.354) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 150:sc= -0.457 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-1.15) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.131 K(o=0.13,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.1!) USER MOD Single : A 87 THR OG1 : rot -130:sc= -0.182 USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= 0.0385 (180deg=0.00347) USER MOD Single : A 92 HIS : no HD1:sc= -2.3! X(o=-2.3!,f=-2.3) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.546 USER MOD Single : A 101 SER OG : rot 90:sc= -0.369 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 113 GLN : amide:sc= -0.259 K(o=-0.26,f=-2!) USER MOD Single : A 115 MET CE :methyl -174:sc= -1.43 (180deg=-1.69) USER MOD Single : A 122 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.821 10.219 3.173 1.00 0.00 N ATOM 2 CA GLY A 1 -28.659 11.616 2.817 1.00 0.00 C ATOM 3 C GLY A 1 -27.337 11.889 2.127 1.00 0.00 C ATOM 4 O GLY A 1 -26.741 10.990 1.533 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.759 9.890 2.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.086 9.653 2.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.734 10.111 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.476 11.918 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.729 12.227 3.717 1.00 0.00 H new ATOM 8 N SER A 2 -26.877 13.134 2.203 1.00 0.00 N ATOM 9 CA SER A 2 -25.619 13.524 1.576 1.00 0.00 C ATOM 10 C SER A 2 -25.006 14.724 2.290 1.00 0.00 C ATOM 11 O SER A 2 -25.670 15.738 2.505 1.00 0.00 O ATOM 12 CB SER A 2 -25.842 13.854 0.099 1.00 0.00 C ATOM 13 OG SER A 2 -24.609 13.968 -0.590 1.00 0.00 O ATOM 0 H SER A 2 -27.356 13.890 2.692 1.00 0.00 H new ATOM 0 HA SER A 2 -24.927 12.685 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.450 13.076 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.399 14.787 0.012 1.00 0.00 H new ATOM 0 HG SER A 2 -24.779 14.178 -1.532 1.00 0.00 H new ATOM 19 N SER A 3 -23.734 14.601 2.655 1.00 0.00 N ATOM 20 CA SER A 3 -23.030 15.674 3.348 1.00 0.00 C ATOM 21 C SER A 3 -21.615 15.837 2.803 1.00 0.00 C ATOM 22 O SER A 3 -20.946 14.856 2.477 1.00 0.00 O ATOM 23 CB SER A 3 -22.980 15.392 4.851 1.00 0.00 C ATOM 24 OG SER A 3 -24.283 15.212 5.379 1.00 0.00 O ATOM 0 H SER A 3 -23.170 13.769 2.482 1.00 0.00 H new ATOM 0 HA SER A 3 -23.575 16.602 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.382 14.500 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.487 16.218 5.363 1.00 0.00 H new ATOM 0 HG SER A 3 -24.224 15.032 6.340 1.00 0.00 H new ATOM 30 N GLY A 4 -21.164 17.084 2.706 1.00 0.00 N ATOM 31 CA GLY A 4 -19.831 17.354 2.199 1.00 0.00 C ATOM 32 C GLY A 4 -19.794 18.554 1.274 1.00 0.00 C ATOM 33 O GLY A 4 -20.692 18.741 0.453 1.00 0.00 O ATOM 0 H GLY A 4 -21.698 17.912 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.155 17.524 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.464 16.477 1.666 1.00 0.00 H new ATOM 37 N SER A 5 -18.754 19.370 1.406 1.00 0.00 N ATOM 38 CA SER A 5 -18.606 20.561 0.579 1.00 0.00 C ATOM 39 C SER A 5 -17.203 21.145 0.711 1.00 0.00 C ATOM 40 O SER A 5 -16.778 21.528 1.801 1.00 0.00 O ATOM 41 CB SER A 5 -19.647 21.612 0.970 1.00 0.00 C ATOM 42 OG SER A 5 -19.983 22.433 -0.134 1.00 0.00 O ATOM 0 H SER A 5 -18.001 19.228 2.079 1.00 0.00 H new ATOM 0 HA SER A 5 -18.764 20.272 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.543 21.118 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.259 22.229 1.781 1.00 0.00 H new ATOM 0 HG SER A 5 -20.651 23.095 0.142 1.00 0.00 H new ATOM 48 N SER A 6 -16.488 21.209 -0.407 1.00 0.00 N ATOM 49 CA SER A 6 -15.130 21.742 -0.417 1.00 0.00 C ATOM 50 C SER A 6 -14.948 22.745 -1.552 1.00 0.00 C ATOM 51 O SER A 6 -15.744 22.789 -2.490 1.00 0.00 O ATOM 52 CB SER A 6 -14.115 20.606 -0.557 1.00 0.00 C ATOM 53 OG SER A 6 -14.087 19.800 0.608 1.00 0.00 O ATOM 0 H SER A 6 -16.826 20.899 -1.318 1.00 0.00 H new ATOM 0 HA SER A 6 -14.961 22.256 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.368 19.992 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.124 21.021 -0.740 1.00 0.00 H new ATOM 0 HG SER A 6 -13.432 19.080 0.492 1.00 0.00 H new ATOM 59 N GLY A 7 -13.894 23.550 -1.460 1.00 0.00 N ATOM 60 CA GLY A 7 -13.626 24.542 -2.484 1.00 0.00 C ATOM 61 C GLY A 7 -12.877 23.964 -3.669 1.00 0.00 C ATOM 62 O GLY A 7 -11.748 23.497 -3.531 1.00 0.00 O ATOM 0 H GLY A 7 -13.221 23.533 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.568 24.969 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.045 25.357 -2.053 1.00 0.00 H new ATOM 66 N GLY A 8 -13.510 23.993 -4.838 1.00 0.00 N ATOM 67 CA GLY A 8 -12.882 23.463 -6.035 1.00 0.00 C ATOM 68 C GLY A 8 -13.146 21.982 -6.220 1.00 0.00 C ATOM 69 O GLY A 8 -13.881 21.372 -5.444 1.00 0.00 O ATOM 0 H GLY A 8 -14.446 24.374 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.250 24.006 -6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.807 23.634 -5.984 1.00 0.00 H new ATOM 73 N LYS A 9 -12.545 21.401 -7.253 1.00 0.00 N ATOM 74 CA LYS A 9 -12.717 19.982 -7.539 1.00 0.00 C ATOM 75 C LYS A 9 -11.455 19.199 -7.191 1.00 0.00 C ATOM 76 O LYS A 9 -10.517 19.131 -7.985 1.00 0.00 O ATOM 77 CB LYS A 9 -13.066 19.777 -9.015 1.00 0.00 C ATOM 78 CG LYS A 9 -14.541 19.964 -9.324 1.00 0.00 C ATOM 79 CD LYS A 9 -14.975 21.406 -9.117 1.00 0.00 C ATOM 80 CE LYS A 9 -16.377 21.648 -9.657 1.00 0.00 C ATOM 81 NZ LYS A 9 -16.860 23.022 -9.347 1.00 0.00 N ATOM 0 H LYS A 9 -11.934 21.892 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.535 19.610 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.486 20.476 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.765 18.773 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.738 19.668 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.134 19.309 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.946 21.647 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.272 22.074 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.382 21.496 -10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.063 20.917 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.818 23.148 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.879 23.159 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.220 23.720 -9.777 1.00 0.00 H new ATOM 95 N ARG A 10 -11.441 18.608 -6.000 1.00 0.00 N ATOM 96 CA ARG A 10 -10.294 17.830 -5.547 1.00 0.00 C ATOM 97 C ARG A 10 -10.747 16.572 -4.813 1.00 0.00 C ATOM 98 O ARG A 10 -11.324 16.648 -3.728 1.00 0.00 O ATOM 99 CB ARG A 10 -9.405 18.676 -4.633 1.00 0.00 C ATOM 100 CG ARG A 10 -8.342 19.466 -5.378 1.00 0.00 C ATOM 101 CD ARG A 10 -7.745 20.557 -4.504 1.00 0.00 C ATOM 102 NE ARG A 10 -7.097 20.013 -3.314 1.00 0.00 N ATOM 103 CZ ARG A 10 -6.234 20.695 -2.570 1.00 0.00 C ATOM 104 NH1 ARG A 10 -5.917 21.941 -2.891 1.00 0.00 N ATOM 105 NH2 ARG A 10 -5.687 20.130 -1.501 1.00 0.00 N ATOM 0 H ARG A 10 -12.211 18.653 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.720 17.531 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.032 19.368 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.919 18.023 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.553 18.792 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.778 19.912 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.019 21.128 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.530 21.251 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.319 19.056 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.336 22.379 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.254 22.462 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.929 19.171 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.024 20.654 -0.930 1.00 0.00 H new ATOM 119 N SER A 11 -10.482 15.415 -5.411 1.00 0.00 N ATOM 120 CA SER A 11 -10.866 14.141 -4.816 1.00 0.00 C ATOM 121 C SER A 11 -9.864 13.048 -5.178 1.00 0.00 C ATOM 122 O SER A 11 -8.966 13.259 -5.994 1.00 0.00 O ATOM 123 CB SER A 11 -12.267 13.738 -5.280 1.00 0.00 C ATOM 124 OG SER A 11 -12.354 13.736 -6.695 1.00 0.00 O ATOM 0 H SER A 11 -10.003 15.334 -6.308 1.00 0.00 H new ATOM 0 HA SER A 11 -10.871 14.261 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.510 12.747 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.003 14.429 -4.868 1.00 0.00 H new ATOM 0 HG SER A 11 -13.258 13.474 -6.967 1.00 0.00 H new ATOM 130 N HIS A 12 -10.025 11.880 -4.565 1.00 0.00 N ATOM 131 CA HIS A 12 -9.136 10.752 -4.823 1.00 0.00 C ATOM 132 C HIS A 12 -9.336 10.215 -6.237 1.00 0.00 C ATOM 133 O HIS A 12 -8.370 9.982 -6.965 1.00 0.00 O ATOM 134 CB HIS A 12 -9.381 9.640 -3.803 1.00 0.00 C ATOM 135 CG HIS A 12 -8.948 9.995 -2.414 1.00 0.00 C ATOM 136 ND1 HIS A 12 -7.731 9.620 -1.886 1.00 0.00 N ATOM 137 CD2 HIS A 12 -9.578 10.696 -1.443 1.00 0.00 C ATOM 138 CE1 HIS A 12 -7.631 10.075 -0.649 1.00 0.00 C ATOM 139 NE2 HIS A 12 -8.739 10.731 -0.356 1.00 0.00 N ATOM 0 H HIS A 12 -10.762 11.689 -3.886 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.108 11.102 -4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.443 9.396 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.851 8.743 -4.122 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.558 11.145 -1.510 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.787 9.934 0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.939 11.189 0.533 1.00 0.00 H new ATOM 148 N SER A 13 -10.594 10.021 -6.619 1.00 0.00 N ATOM 149 CA SER A 13 -10.919 9.507 -7.945 1.00 0.00 C ATOM 150 C SER A 13 -10.330 8.114 -8.147 1.00 0.00 C ATOM 151 O SER A 13 -9.801 7.801 -9.213 1.00 0.00 O ATOM 152 CB SER A 13 -10.397 10.456 -9.025 1.00 0.00 C ATOM 153 OG SER A 13 -10.896 10.099 -10.302 1.00 0.00 O ATOM 0 H SER A 13 -11.405 10.212 -6.030 1.00 0.00 H new ATOM 0 HA SER A 13 -12.004 9.439 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.692 11.478 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.307 10.433 -9.038 1.00 0.00 H new ATOM 0 HG SER A 13 -10.740 9.144 -10.459 1.00 0.00 H new ATOM 159 N MET A 14 -10.426 7.283 -7.115 1.00 0.00 N ATOM 160 CA MET A 14 -9.904 5.922 -7.179 1.00 0.00 C ATOM 161 C MET A 14 -10.914 4.926 -6.618 1.00 0.00 C ATOM 162 O MET A 14 -11.196 4.919 -5.420 1.00 0.00 O ATOM 163 CB MET A 14 -8.587 5.822 -6.406 1.00 0.00 C ATOM 164 CG MET A 14 -7.401 6.416 -7.148 1.00 0.00 C ATOM 165 SD MET A 14 -6.001 6.751 -6.062 1.00 0.00 S ATOM 166 CE MET A 14 -5.603 5.097 -5.503 1.00 0.00 C ATOM 0 H MET A 14 -10.860 7.527 -6.225 1.00 0.00 H new ATOM 0 HA MET A 14 -9.722 5.677 -8.225 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.698 6.330 -5.448 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.381 4.774 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.089 5.730 -7.936 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.708 7.342 -7.635 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.573 5.078 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.363 4.401 -5.857 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.630 4.804 -5.898 1.00 0.00 H new ATOM 176 N LYS A 15 -11.456 4.084 -7.492 1.00 0.00 N ATOM 177 CA LYS A 15 -12.433 3.082 -7.085 1.00 0.00 C ATOM 178 C LYS A 15 -11.973 1.682 -7.477 1.00 0.00 C ATOM 179 O LYS A 15 -11.011 1.523 -8.229 1.00 0.00 O ATOM 180 CB LYS A 15 -13.794 3.380 -7.719 1.00 0.00 C ATOM 181 CG LYS A 15 -14.423 4.673 -7.230 1.00 0.00 C ATOM 182 CD LYS A 15 -15.083 4.495 -5.873 1.00 0.00 C ATOM 183 CE LYS A 15 -15.980 5.674 -5.530 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.623 5.512 -4.197 1.00 0.00 N ATOM 0 H LYS A 15 -11.234 4.076 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.528 3.123 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.678 3.429 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.472 2.553 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.659 5.448 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.163 5.015 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.671 3.577 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.316 4.385 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.393 6.592 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.750 5.779 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.226 6.336 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.204 4.649 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.889 5.437 -3.464 1.00 0.00 H new ATOM 198 N ARG A 16 -12.666 0.671 -6.965 1.00 0.00 N ATOM 199 CA ARG A 16 -12.328 -0.716 -7.262 1.00 0.00 C ATOM 200 C ARG A 16 -13.343 -1.328 -8.224 1.00 0.00 C ATOM 201 O ARG A 16 -14.551 -1.177 -8.046 1.00 0.00 O ATOM 202 CB ARG A 16 -12.271 -1.537 -5.973 1.00 0.00 C ATOM 203 CG ARG A 16 -11.781 -2.961 -6.179 1.00 0.00 C ATOM 204 CD ARG A 16 -10.266 -3.016 -6.305 1.00 0.00 C ATOM 205 NE ARG A 16 -9.727 -4.305 -5.880 1.00 0.00 N ATOM 206 CZ ARG A 16 -9.903 -5.434 -6.557 1.00 0.00 C ATOM 207 NH1 ARG A 16 -10.600 -5.433 -7.685 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.382 -6.568 -6.106 1.00 0.00 N ATOM 0 H ARG A 16 -13.465 0.786 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.347 -0.731 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.615 -1.035 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.265 -1.565 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.100 -3.582 -5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.237 -3.378 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.981 -2.828 -7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.823 -2.222 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.186 -4.340 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.003 -4.564 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.733 -6.302 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.846 -6.573 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.518 -7.434 -6.627 1.00 0.00 H new ATOM 222 N ASN A 17 -12.842 -2.020 -9.242 1.00 0.00 N ATOM 223 CA ASN A 17 -13.704 -2.655 -10.233 1.00 0.00 C ATOM 224 C ASN A 17 -13.412 -4.149 -10.331 1.00 0.00 C ATOM 225 O ASN A 17 -12.260 -4.584 -10.306 1.00 0.00 O ATOM 226 CB ASN A 17 -13.517 -1.995 -11.600 1.00 0.00 C ATOM 227 CG ASN A 17 -14.296 -0.701 -11.730 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.484 -0.644 -11.414 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.628 0.347 -12.198 1.00 0.00 N ATOM 0 H ASN A 17 -11.844 -2.155 -9.403 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.738 -2.526 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.458 -1.796 -11.762 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.834 -2.687 -12.380 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.100 1.245 -12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.643 0.254 -12.448 1.00 0.00 H new ATOM 236 N PRO A 18 -14.478 -4.954 -10.447 1.00 0.00 N ATOM 237 CA PRO A 18 -14.362 -6.411 -10.553 1.00 0.00 C ATOM 238 C PRO A 18 -13.763 -6.850 -11.886 1.00 0.00 C ATOM 239 O PRO A 18 -13.133 -7.902 -11.978 1.00 0.00 O ATOM 240 CB PRO A 18 -15.810 -6.893 -10.433 1.00 0.00 C ATOM 241 CG PRO A 18 -16.632 -5.739 -10.895 1.00 0.00 C ATOM 242 CD PRO A 18 -15.880 -4.504 -10.484 1.00 0.00 C ATOM 0 HA PRO A 18 -13.697 -6.823 -9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.986 -7.776 -11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.053 -7.166 -9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.773 -5.768 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.624 -5.761 -10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.022 -3.691 -11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.210 -4.137 -9.512 1.00 0.00 H new ATOM 250 N ASN A 19 -13.964 -6.034 -12.916 1.00 0.00 N ATOM 251 CA ASN A 19 -13.444 -6.339 -14.244 1.00 0.00 C ATOM 252 C ASN A 19 -11.919 -6.295 -14.254 1.00 0.00 C ATOM 253 O ASN A 19 -11.269 -7.091 -14.932 1.00 0.00 O ATOM 254 CB ASN A 19 -14.000 -5.350 -15.271 1.00 0.00 C ATOM 255 CG ASN A 19 -15.420 -5.684 -15.685 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.348 -5.595 -14.739 1.00 0.00 O flip ATOM 257 ND2 ASN A 19 -15.680 -6.017 -16.841 1.00 0.00 N flip ATOM 0 H ASN A 19 -14.483 -5.158 -12.857 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.763 -7.347 -14.510 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.973 -4.343 -14.854 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.359 -5.347 -16.152 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.935 -6.072 -17.536 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.640 -6.238 -17.104 1.00 0.00 H new ATOM 264 N ALA A 20 -11.354 -5.361 -13.497 1.00 0.00 N ATOM 265 CA ALA A 20 -9.906 -5.215 -13.416 1.00 0.00 C ATOM 266 C ALA A 20 -9.270 -6.423 -12.736 1.00 0.00 C ATOM 267 O ALA A 20 -9.595 -6.768 -11.599 1.00 0.00 O ATOM 268 CB ALA A 20 -9.544 -3.937 -12.673 1.00 0.00 C ATOM 0 H ALA A 20 -11.877 -4.693 -12.931 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.515 -5.154 -14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.459 -3.842 -12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.959 -3.079 -13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.954 -3.974 -11.664 1.00 0.00 H new ATOM 274 N PRO A 21 -8.342 -7.082 -13.445 1.00 0.00 N ATOM 275 CA PRO A 21 -7.641 -8.262 -12.929 1.00 0.00 C ATOM 276 C PRO A 21 -6.674 -7.915 -11.802 1.00 0.00 C ATOM 277 O PRO A 21 -5.869 -6.991 -11.923 1.00 0.00 O ATOM 278 CB PRO A 21 -6.876 -8.782 -14.149 1.00 0.00 C ATOM 279 CG PRO A 21 -6.689 -7.586 -15.017 1.00 0.00 C ATOM 280 CD PRO A 21 -7.905 -6.726 -14.806 1.00 0.00 C ATOM 0 HA PRO A 21 -8.329 -8.989 -12.499 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.918 -9.215 -13.861 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.436 -9.562 -14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.780 -7.048 -14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.592 -7.875 -16.064 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.666 -5.666 -14.887 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.679 -6.936 -15.544 1.00 0.00 H new ATOM 288 N VAL A 22 -6.758 -8.661 -10.706 1.00 0.00 N ATOM 289 CA VAL A 22 -5.888 -8.433 -9.557 1.00 0.00 C ATOM 290 C VAL A 22 -4.420 -8.567 -9.944 1.00 0.00 C ATOM 291 O VAL A 22 -3.948 -9.657 -10.269 1.00 0.00 O ATOM 292 CB VAL A 22 -6.198 -9.419 -8.415 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.275 -9.172 -7.232 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.656 -9.306 -7.996 1.00 0.00 C ATOM 0 H VAL A 22 -7.419 -9.429 -10.589 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.078 -7.417 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.024 -10.433 -8.776 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.508 -9.878 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.239 -9.307 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.415 -8.154 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.858 -10.009 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.858 -8.291 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.298 -9.536 -8.846 1.00 0.00 H new ATOM 304 N THR A 23 -3.700 -7.450 -9.908 1.00 0.00 N ATOM 305 CA THR A 23 -2.285 -7.441 -10.255 1.00 0.00 C ATOM 306 C THR A 23 -1.479 -8.318 -9.304 1.00 0.00 C ATOM 307 O THR A 23 -0.804 -9.256 -9.729 1.00 0.00 O ATOM 308 CB THR A 23 -1.709 -6.012 -10.229 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.528 -5.139 -11.015 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.284 -5.994 -10.762 1.00 0.00 C ATOM 0 H THR A 23 -4.074 -6.539 -9.642 1.00 0.00 H new ATOM 0 HA THR A 23 -2.206 -7.839 -11.267 1.00 0.00 H new ATOM 0 HB THR A 23 -1.699 -5.667 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.275 -4.813 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.102 -4.975 -10.734 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.344 -6.637 -10.145 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.275 -6.357 -11.790 1.00 0.00 H new ATOM 318 N LYS A 24 -1.555 -8.009 -8.014 1.00 0.00 N ATOM 319 CA LYS A 24 -0.835 -8.771 -7.000 1.00 0.00 C ATOM 320 C LYS A 24 -1.508 -8.636 -5.638 1.00 0.00 C ATOM 321 O LYS A 24 -1.909 -7.543 -5.239 1.00 0.00 O ATOM 322 CB LYS A 24 0.617 -8.297 -6.913 1.00 0.00 C ATOM 323 CG LYS A 24 1.575 -9.361 -6.406 1.00 0.00 C ATOM 324 CD LYS A 24 2.907 -8.760 -5.990 1.00 0.00 C ATOM 325 CE LYS A 24 3.785 -9.783 -5.285 1.00 0.00 C ATOM 326 NZ LYS A 24 4.206 -10.878 -6.203 1.00 0.00 N ATOM 0 H LYS A 24 -2.108 -7.235 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.851 -9.821 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.942 -7.967 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.669 -7.430 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.128 -9.880 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.738 -10.106 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.426 -8.379 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.734 -7.911 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.668 -9.287 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.243 -10.206 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.816 -11.546 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.365 -11.378 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.731 -10.476 -7.006 1.00 0.00 H new ATOM 340 N ALA A 25 -1.627 -9.753 -4.928 1.00 0.00 N ATOM 341 CA ALA A 25 -2.248 -9.758 -3.610 1.00 0.00 C ATOM 342 C ALA A 25 -1.377 -10.493 -2.596 1.00 0.00 C ATOM 343 O ALA A 25 -0.914 -11.604 -2.850 1.00 0.00 O ATOM 344 CB ALA A 25 -3.629 -10.391 -3.679 1.00 0.00 C ATOM 0 H ALA A 25 -1.301 -10.666 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.351 -8.724 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.081 -10.388 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.256 -9.822 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.541 -11.418 -4.034 1.00 0.00 H new ATOM 350 N GLY A 26 -1.158 -9.864 -1.445 1.00 0.00 N ATOM 351 CA GLY A 26 -0.342 -10.473 -0.411 1.00 0.00 C ATOM 352 C GLY A 26 -0.477 -9.768 0.924 1.00 0.00 C ATOM 353 O GLY A 26 -0.872 -8.604 0.982 1.00 0.00 O ATOM 0 H GLY A 26 -1.531 -8.944 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.627 -11.519 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.703 -10.459 -0.722 1.00 0.00 H new ATOM 357 N TRP A 27 -0.151 -10.475 2.000 1.00 0.00 N ATOM 358 CA TRP A 27 -0.240 -9.910 3.342 1.00 0.00 C ATOM 359 C TRP A 27 1.012 -9.108 3.679 1.00 0.00 C ATOM 360 O TRP A 27 2.058 -9.675 3.996 1.00 0.00 O ATOM 361 CB TRP A 27 -0.442 -11.022 4.373 1.00 0.00 C ATOM 362 CG TRP A 27 -1.865 -11.479 4.483 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.436 -12.541 3.843 1.00 0.00 C ATOM 364 CD2 TRP A 27 -2.896 -10.887 5.281 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.761 -12.645 4.194 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.067 -11.642 5.075 1.00 0.00 C ATOM 367 CE3 TRP A 27 -2.944 -9.793 6.149 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.270 -11.337 5.706 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.138 -9.491 6.775 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.288 -10.261 6.551 1.00 0.00 C ATOM 0 H TRP A 27 0.177 -11.440 1.970 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.098 -9.238 3.371 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.186 -11.873 4.107 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.105 -10.669 5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.922 -13.202 3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.411 -13.354 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.063 -9.194 6.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.157 -11.929 5.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.186 -8.648 7.448 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.206 -10.000 7.056 1.00 0.00 H new ATOM 381 N LEU A 28 0.899 -7.786 3.609 1.00 0.00 N ATOM 382 CA LEU A 28 2.023 -6.905 3.907 1.00 0.00 C ATOM 383 C LEU A 28 1.762 -6.101 5.177 1.00 0.00 C ATOM 384 O LEU A 28 0.656 -6.117 5.719 1.00 0.00 O ATOM 385 CB LEU A 28 2.279 -5.958 2.734 1.00 0.00 C ATOM 386 CG LEU A 28 2.709 -6.616 1.422 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.223 -5.803 0.233 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.222 -6.778 1.378 1.00 0.00 C ATOM 0 H LEU A 28 0.041 -7.301 3.349 1.00 0.00 H new ATOM 0 HA LEU A 28 2.906 -7.524 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.370 -5.386 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.049 -5.246 3.030 1.00 0.00 H new ATOM 0 HG LEU A 28 2.256 -7.606 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.538 -6.286 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.135 -5.739 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.647 -4.800 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.510 -7.248 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.695 -5.799 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.545 -7.403 2.210 1.00 0.00 H new ATOM 400 N PHE A 29 2.787 -5.397 5.646 1.00 0.00 N ATOM 401 CA PHE A 29 2.669 -4.585 6.851 1.00 0.00 C ATOM 402 C PHE A 29 2.709 -3.098 6.512 1.00 0.00 C ATOM 403 O PHE A 29 3.665 -2.613 5.907 1.00 0.00 O ATOM 404 CB PHE A 29 3.791 -4.926 7.833 1.00 0.00 C ATOM 405 CG PHE A 29 3.763 -6.351 8.306 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.048 -7.390 7.435 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.449 -6.652 9.622 1.00 0.00 C ATOM 408 CE1 PHE A 29 4.023 -8.702 7.867 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.422 -7.962 10.060 1.00 0.00 C ATOM 410 CZ PHE A 29 3.708 -8.989 9.181 1.00 0.00 C ATOM 0 H PHE A 29 3.709 -5.373 5.210 1.00 0.00 H new ATOM 0 HA PHE A 29 1.708 -4.807 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.752 -4.729 7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.721 -4.264 8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.293 -7.172 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.223 -5.853 10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.249 -9.502 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.178 -8.183 11.088 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.685 -10.014 9.521 1.00 0.00 H new ATOM 420 N LYS A 30 1.662 -2.379 6.904 1.00 0.00 N ATOM 421 CA LYS A 30 1.576 -0.947 6.643 1.00 0.00 C ATOM 422 C LYS A 30 2.042 -0.144 7.853 1.00 0.00 C ATOM 423 O LYS A 30 1.341 -0.060 8.861 1.00 0.00 O ATOM 424 CB LYS A 30 0.139 -0.560 6.284 1.00 0.00 C ATOM 425 CG LYS A 30 0.031 0.774 5.566 1.00 0.00 C ATOM 426 CD LYS A 30 -1.278 0.893 4.803 1.00 0.00 C ATOM 427 CE LYS A 30 -1.742 2.338 4.714 1.00 0.00 C ATOM 428 NZ LYS A 30 -3.057 2.457 4.026 1.00 0.00 N ATOM 0 H LYS A 30 0.861 -2.765 7.404 1.00 0.00 H new ATOM 0 HA LYS A 30 2.230 -0.716 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.292 -1.338 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.457 -0.522 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.106 1.585 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.867 0.885 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.153 0.487 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.043 0.294 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.818 2.757 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.997 2.926 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.338 3.457 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.979 2.080 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.774 1.917 4.551 1.00 0.00 H new ATOM 442 N GLN A 31 3.229 0.444 7.745 1.00 0.00 N ATOM 443 CA GLN A 31 3.788 1.240 8.831 1.00 0.00 C ATOM 444 C GLN A 31 2.742 2.193 9.402 1.00 0.00 C ATOM 445 O GLN A 31 1.890 2.702 8.674 1.00 0.00 O ATOM 446 CB GLN A 31 5.001 2.032 8.339 1.00 0.00 C ATOM 447 CG GLN A 31 5.892 2.540 9.462 1.00 0.00 C ATOM 448 CD GLN A 31 6.600 3.832 9.105 1.00 0.00 C ATOM 449 OE1 GLN A 31 5.971 4.882 8.971 1.00 0.00 O ATOM 450 NE2 GLN A 31 7.917 3.762 8.950 1.00 0.00 N ATOM 0 H GLN A 31 3.822 0.384 6.917 1.00 0.00 H new ATOM 0 HA GLN A 31 4.103 0.559 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.592 1.401 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.655 2.880 7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.289 2.695 10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.633 1.779 9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.398 2.871 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.448 4.600 8.710 1.00 0.00 H new ATOM 459 N ALA A 32 2.813 2.428 10.708 1.00 0.00 N ATOM 460 CA ALA A 32 1.873 3.320 11.375 1.00 0.00 C ATOM 461 C ALA A 32 2.392 4.753 11.389 1.00 0.00 C ATOM 462 O ALA A 32 3.179 5.130 12.258 1.00 0.00 O ATOM 463 CB ALA A 32 1.606 2.839 12.794 1.00 0.00 C ATOM 0 H ALA A 32 3.511 2.013 11.325 1.00 0.00 H new ATOM 0 HA ALA A 32 0.937 3.306 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.902 3.514 13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.184 1.835 12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.541 2.823 13.355 1.00 0.00 H new ATOM 469 N SER A 33 1.947 5.549 10.422 1.00 0.00 N ATOM 470 CA SER A 33 2.371 6.940 10.320 1.00 0.00 C ATOM 471 C SER A 33 1.428 7.853 11.098 1.00 0.00 C ATOM 472 O SER A 33 1.854 8.847 11.686 1.00 0.00 O ATOM 473 CB SER A 33 2.425 7.373 8.854 1.00 0.00 C ATOM 474 OG SER A 33 1.129 7.396 8.281 1.00 0.00 O ATOM 0 H SER A 33 1.292 5.254 9.698 1.00 0.00 H new ATOM 0 HA SER A 33 3.368 7.023 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.876 8.362 8.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.062 6.689 8.293 1.00 0.00 H new ATOM 0 HG SER A 33 1.190 7.677 7.344 1.00 0.00 H new ATOM 480 N SER A 34 0.145 7.508 11.096 1.00 0.00 N ATOM 481 CA SER A 34 -0.861 8.298 11.797 1.00 0.00 C ATOM 482 C SER A 34 -0.320 8.803 13.131 1.00 0.00 C ATOM 483 O SER A 34 -0.404 9.992 13.437 1.00 0.00 O ATOM 484 CB SER A 34 -2.123 7.466 12.028 1.00 0.00 C ATOM 485 OG SER A 34 -3.140 8.241 12.640 1.00 0.00 O ATOM 0 H SER A 34 -0.223 6.686 10.617 1.00 0.00 H new ATOM 0 HA SER A 34 -1.111 9.158 11.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.483 7.074 11.077 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.887 6.608 12.658 1.00 0.00 H new ATOM 0 HG SER A 34 -3.937 7.687 12.776 1.00 0.00 H new ATOM 491 N GLY A 35 0.235 7.890 13.922 1.00 0.00 N ATOM 492 CA GLY A 35 0.781 8.261 15.215 1.00 0.00 C ATOM 493 C GLY A 35 1.595 7.147 15.842 1.00 0.00 C ATOM 494 O GLY A 35 2.810 7.076 15.658 1.00 0.00 O ATOM 0 H GLY A 35 0.316 6.900 13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.408 9.145 15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.034 8.533 15.886 1.00 0.00 H new ATOM 498 N VAL A 36 0.924 6.274 16.588 1.00 0.00 N ATOM 499 CA VAL A 36 1.593 5.158 17.245 1.00 0.00 C ATOM 500 C VAL A 36 2.752 4.638 16.402 1.00 0.00 C ATOM 501 O VAL A 36 2.724 4.713 15.174 1.00 0.00 O ATOM 502 CB VAL A 36 0.614 4.002 17.522 1.00 0.00 C ATOM 503 CG1 VAL A 36 1.337 2.835 18.179 1.00 0.00 C ATOM 504 CG2 VAL A 36 -0.542 4.479 18.388 1.00 0.00 C ATOM 0 H VAL A 36 -0.082 6.319 16.752 1.00 0.00 H new ATOM 0 HA VAL A 36 1.978 5.533 18.193 1.00 0.00 H new ATOM 0 HB VAL A 36 0.208 3.658 16.571 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.629 2.028 18.367 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.127 2.478 17.518 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.773 3.162 19.123 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.224 3.649 18.574 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.156 4.851 19.337 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.075 5.279 17.875 1.00 0.00 H new ATOM 514 N LYS A 37 3.771 4.108 17.070 1.00 0.00 N ATOM 515 CA LYS A 37 4.940 3.572 16.384 1.00 0.00 C ATOM 516 C LYS A 37 4.933 2.047 16.406 1.00 0.00 C ATOM 517 O LYS A 37 5.438 1.429 17.343 1.00 0.00 O ATOM 518 CB LYS A 37 6.223 4.096 17.033 1.00 0.00 C ATOM 519 CG LYS A 37 6.387 5.602 16.929 1.00 0.00 C ATOM 520 CD LYS A 37 6.818 6.021 15.533 1.00 0.00 C ATOM 521 CE LYS A 37 7.376 7.436 15.523 1.00 0.00 C ATOM 522 NZ LYS A 37 8.709 7.511 16.182 1.00 0.00 N ATOM 0 H LYS A 37 3.811 4.038 18.087 1.00 0.00 H new ATOM 0 HA LYS A 37 4.904 3.903 15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.231 3.810 18.085 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.080 3.613 16.565 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.446 6.090 17.182 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.126 5.939 17.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.573 5.328 15.161 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.967 5.960 14.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.459 7.786 14.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.681 8.104 16.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.181 8.397 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.588 7.485 17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.291 6.703 15.881 1.00 0.00 H new ATOM 536 N GLN A 38 4.359 1.447 15.368 1.00 0.00 N ATOM 537 CA GLN A 38 4.288 -0.006 15.269 1.00 0.00 C ATOM 538 C GLN A 38 3.949 -0.439 13.847 1.00 0.00 C ATOM 539 O GLN A 38 3.558 0.380 13.015 1.00 0.00 O ATOM 540 CB GLN A 38 3.244 -0.554 16.244 1.00 0.00 C ATOM 541 CG GLN A 38 1.815 -0.192 15.872 1.00 0.00 C ATOM 542 CD GLN A 38 0.792 -1.072 16.561 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.205 -1.962 15.944 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.571 -0.828 17.848 1.00 0.00 N ATOM 0 H GLN A 38 3.937 1.944 14.584 1.00 0.00 H new ATOM 0 HA GLN A 38 5.266 -0.411 15.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.335 -1.639 16.289 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.458 -0.175 17.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.628 0.849 16.134 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.692 -0.276 14.792 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.080 -0.081 18.320 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.107 -1.388 18.364 1.00 0.00 H new ATOM 553 N TRP A 39 4.103 -1.730 13.575 1.00 0.00 N ATOM 554 CA TRP A 39 3.813 -2.271 12.252 1.00 0.00 C ATOM 555 C TRP A 39 2.570 -3.153 12.284 1.00 0.00 C ATOM 556 O TRP A 39 2.495 -4.108 13.057 1.00 0.00 O ATOM 557 CB TRP A 39 5.009 -3.073 11.734 1.00 0.00 C ATOM 558 CG TRP A 39 6.161 -2.214 11.309 1.00 0.00 C ATOM 559 CD1 TRP A 39 7.086 -1.623 12.122 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.509 -1.847 9.970 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.988 -0.912 11.368 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.657 -1.034 10.045 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.964 -2.129 8.714 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.266 -0.500 8.913 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.570 -1.598 7.591 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.711 -0.792 7.696 1.00 0.00 C ATOM 0 H TRP A 39 4.427 -2.421 14.252 1.00 0.00 H new ATOM 0 HA TRP A 39 3.624 -1.435 11.578 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.344 -3.757 12.514 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.690 -3.684 10.890 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.105 -1.703 13.199 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.777 -0.379 11.735 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.085 -2.750 8.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.145 0.122 8.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.157 -1.808 6.616 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.162 -0.393 6.799 1.00 0.00 H new ATOM 577 N ASN A 40 1.596 -2.827 11.441 1.00 0.00 N ATOM 578 CA ASN A 40 0.355 -3.590 11.374 1.00 0.00 C ATOM 579 C ASN A 40 0.249 -4.341 10.051 1.00 0.00 C ATOM 580 O ASN A 40 0.502 -3.782 8.984 1.00 0.00 O ATOM 581 CB ASN A 40 -0.849 -2.662 11.545 1.00 0.00 C ATOM 582 CG ASN A 40 -0.885 -2.006 12.912 1.00 0.00 C ATOM 583 OD1 ASN A 40 -1.582 -2.467 13.816 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.132 -0.924 13.069 1.00 0.00 N ATOM 0 H ASN A 40 1.642 -2.039 10.795 1.00 0.00 H new ATOM 0 HA ASN A 40 0.361 -4.318 12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.822 -1.890 10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.767 -3.230 11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.116 -0.440 13.967 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.430 -0.577 12.292 1.00 0.00 H new ATOM 591 N LYS A 41 -0.128 -5.613 10.128 1.00 0.00 N ATOM 592 CA LYS A 41 -0.271 -6.443 8.937 1.00 0.00 C ATOM 593 C LYS A 41 -1.700 -6.393 8.407 1.00 0.00 C ATOM 594 O LYS A 41 -2.652 -6.673 9.136 1.00 0.00 O ATOM 595 CB LYS A 41 0.120 -7.889 9.248 1.00 0.00 C ATOM 596 CG LYS A 41 0.221 -8.771 8.015 1.00 0.00 C ATOM 597 CD LYS A 41 -0.091 -10.222 8.340 1.00 0.00 C ATOM 598 CE LYS A 41 1.164 -10.988 8.730 1.00 0.00 C ATOM 599 NZ LYS A 41 1.451 -10.878 10.187 1.00 0.00 N ATOM 0 H LYS A 41 -0.340 -6.092 11.003 1.00 0.00 H new ATOM 0 HA LYS A 41 0.396 -6.051 8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.078 -7.894 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.614 -8.316 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.469 -8.412 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.225 -8.699 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.814 -10.266 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.555 -10.698 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.047 -12.038 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.013 -10.607 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.844 -11.777 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.139 -10.115 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.571 -10.665 10.699 1.00 0.00 H new ATOM 613 N ARG A 42 -1.843 -6.038 7.135 1.00 0.00 N ATOM 614 CA ARG A 42 -3.157 -5.953 6.508 1.00 0.00 C ATOM 615 C ARG A 42 -3.132 -6.560 5.108 1.00 0.00 C ATOM 616 O ARG A 42 -2.073 -6.677 4.491 1.00 0.00 O ATOM 617 CB ARG A 42 -3.617 -4.496 6.435 1.00 0.00 C ATOM 618 CG ARG A 42 -3.763 -3.834 7.796 1.00 0.00 C ATOM 619 CD ARG A 42 -5.130 -4.106 8.404 1.00 0.00 C ATOM 620 NE ARG A 42 -5.187 -3.728 9.814 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.059 -4.238 10.676 1.00 0.00 C ATOM 622 NH1 ARG A 42 -6.942 -5.143 10.275 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.048 -3.844 11.943 1.00 0.00 N ATOM 0 H ARG A 42 -1.065 -5.804 6.518 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.860 -6.519 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.903 -3.928 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.574 -4.452 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.986 -4.202 8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.615 -2.759 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.889 -3.554 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.368 -5.165 8.303 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.521 -3.035 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.953 -5.449 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.610 -5.533 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.370 -3.149 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.718 -4.236 12.605 1.00 0.00 H new ATOM 637 N TRP A 43 -4.304 -6.944 4.615 1.00 0.00 N ATOM 638 CA TRP A 43 -4.416 -7.540 3.289 1.00 0.00 C ATOM 639 C TRP A 43 -4.225 -6.488 2.202 1.00 0.00 C ATOM 640 O TRP A 43 -5.041 -5.577 2.055 1.00 0.00 O ATOM 641 CB TRP A 43 -5.777 -8.219 3.126 1.00 0.00 C ATOM 642 CG TRP A 43 -5.922 -8.955 1.828 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.887 -8.765 0.881 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.075 -9.999 1.336 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.692 -9.629 -0.169 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.586 -10.396 0.085 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.933 -10.637 1.830 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.994 -11.401 -0.676 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.347 -11.634 1.074 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.878 -12.008 -0.168 1.00 0.00 C ATOM 0 H TRP A 43 -5.189 -6.853 5.113 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.630 -8.288 3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.928 -8.917 3.950 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.562 -7.466 3.198 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.686 -8.042 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.276 -9.690 -1.003 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.516 -10.355 2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.401 -11.691 -1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.465 -12.134 1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.397 -12.791 -0.735 1.00 0.00 H new ATOM 661 N PHE A 44 -3.143 -6.619 1.441 1.00 0.00 N ATOM 662 CA PHE A 44 -2.846 -5.679 0.367 1.00 0.00 C ATOM 663 C PHE A 44 -3.247 -6.255 -0.988 1.00 0.00 C ATOM 664 O PHE A 44 -3.114 -7.455 -1.229 1.00 0.00 O ATOM 665 CB PHE A 44 -1.356 -5.330 0.364 1.00 0.00 C ATOM 666 CG PHE A 44 -1.009 -4.175 1.260 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.542 -4.087 2.535 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.149 -3.179 0.826 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.224 -3.025 3.361 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.173 -2.115 1.648 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.365 -2.039 2.918 1.00 0.00 C ATOM 0 H PHE A 44 -2.458 -7.367 1.548 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.425 -4.772 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.785 -6.205 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.048 -5.094 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.213 -4.856 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.275 -3.234 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.647 -2.967 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.844 -1.345 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.114 -1.210 3.563 1.00 0.00 H new ATOM 681 N VAL A 45 -3.740 -5.391 -1.869 1.00 0.00 N ATOM 682 CA VAL A 45 -4.161 -5.812 -3.200 1.00 0.00 C ATOM 683 C VAL A 45 -3.939 -4.704 -4.224 1.00 0.00 C ATOM 684 O VAL A 45 -4.371 -3.568 -4.028 1.00 0.00 O ATOM 685 CB VAL A 45 -5.646 -6.220 -3.216 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.081 -6.599 -4.624 1.00 0.00 C ATOM 687 CG2 VAL A 45 -5.894 -7.366 -2.247 1.00 0.00 C ATOM 0 H VAL A 45 -3.858 -4.395 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.551 -6.676 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.242 -5.366 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.133 -6.884 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.942 -5.747 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.481 -7.437 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.948 -7.641 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.288 -8.225 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.624 -7.054 -1.238 1.00 0.00 H new ATOM 697 N LEU A 46 -3.263 -5.043 -5.316 1.00 0.00 N ATOM 698 CA LEU A 46 -2.983 -4.076 -6.372 1.00 0.00 C ATOM 699 C LEU A 46 -3.910 -4.290 -7.565 1.00 0.00 C ATOM 700 O LEU A 46 -3.828 -5.306 -8.255 1.00 0.00 O ATOM 701 CB LEU A 46 -1.524 -4.188 -6.819 1.00 0.00 C ATOM 702 CG LEU A 46 -1.035 -3.111 -7.788 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.858 -1.784 -7.067 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.268 -3.540 -8.448 1.00 0.00 C ATOM 0 H LEU A 46 -2.899 -5.979 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.159 -3.077 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.890 -4.166 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.382 -5.162 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.787 -2.980 -8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.510 -1.030 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.812 -1.470 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.126 -1.899 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.602 -2.762 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.028 -3.699 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.109 -4.466 -9.000 1.00 0.00 H new ATOM 716 N VAL A 47 -4.791 -3.323 -7.803 1.00 0.00 N ATOM 717 CA VAL A 47 -5.732 -3.403 -8.914 1.00 0.00 C ATOM 718 C VAL A 47 -5.942 -2.036 -9.555 1.00 0.00 C ATOM 719 O VAL A 47 -6.140 -1.038 -8.862 1.00 0.00 O ATOM 720 CB VAL A 47 -7.094 -3.959 -8.457 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.174 -3.627 -9.475 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.007 -5.460 -8.230 1.00 0.00 C ATOM 0 H VAL A 47 -4.873 -2.475 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.299 -4.082 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.362 -3.487 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.129 -4.028 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.252 -2.545 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.916 -4.070 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.978 -5.836 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.717 -5.952 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.263 -5.669 -7.461 1.00 0.00 H new ATOM 732 N ASP A 48 -5.898 -1.998 -10.882 1.00 0.00 N ATOM 733 CA ASP A 48 -6.086 -0.754 -11.619 1.00 0.00 C ATOM 734 C ASP A 48 -4.969 0.237 -11.305 1.00 0.00 C ATOM 735 O ASP A 48 -5.226 1.368 -10.894 1.00 0.00 O ATOM 736 CB ASP A 48 -7.443 -0.135 -11.279 1.00 0.00 C ATOM 737 CG ASP A 48 -8.016 0.670 -12.429 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.310 1.567 -12.936 1.00 0.00 O ATOM 739 OD2 ASP A 48 -9.170 0.402 -12.823 1.00 0.00 O ATOM 0 H ASP A 48 -5.734 -2.815 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.056 -0.983 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.143 -0.926 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.337 0.509 -10.406 1.00 0.00 H new ATOM 744 N ARG A 49 -3.728 -0.197 -11.501 1.00 0.00 N ATOM 745 CA ARG A 49 -2.571 0.650 -11.237 1.00 0.00 C ATOM 746 C ARG A 49 -2.726 1.382 -9.907 1.00 0.00 C ATOM 747 O ARG A 49 -2.211 2.487 -9.731 1.00 0.00 O ATOM 748 CB ARG A 49 -2.385 1.662 -12.369 1.00 0.00 C ATOM 749 CG ARG A 49 -1.639 1.102 -13.570 1.00 0.00 C ATOM 750 CD ARG A 49 -0.854 2.185 -14.293 1.00 0.00 C ATOM 751 NE ARG A 49 -0.205 1.678 -15.498 1.00 0.00 N ATOM 752 CZ ARG A 49 -0.815 1.575 -16.674 1.00 0.00 C ATOM 753 NH1 ARG A 49 -2.082 1.942 -16.801 1.00 0.00 N ATOM 754 NH2 ARG A 49 -0.157 1.104 -17.725 1.00 0.00 N ATOM 0 H ARG A 49 -3.498 -1.130 -11.842 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.689 0.011 -11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.364 2.016 -12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.843 2.527 -11.986 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.959 0.315 -13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.348 0.644 -14.259 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.524 3.002 -14.559 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.101 2.596 -13.621 1.00 0.00 H new ATOM 0 HE ARG A 49 0.770 1.387 -15.434 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.591 2.305 -15.995 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.548 1.862 -17.705 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.818 0.820 -17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.626 1.025 -18.627 1.00 0.00 H new ATOM 768 N CYS A 50 -3.438 0.759 -8.975 1.00 0.00 N ATOM 769 CA CYS A 50 -3.662 1.351 -7.661 1.00 0.00 C ATOM 770 C CYS A 50 -3.536 0.301 -6.562 1.00 0.00 C ATOM 771 O CYS A 50 -3.577 -0.901 -6.830 1.00 0.00 O ATOM 772 CB CYS A 50 -5.043 2.006 -7.602 1.00 0.00 C ATOM 773 SG CYS A 50 -5.248 3.399 -8.736 1.00 0.00 S ATOM 0 H CYS A 50 -3.870 -0.156 -9.105 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.900 2.113 -7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.800 1.254 -7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.227 2.350 -6.584 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.296 2.960 -9.959 1.00 0.00 H new ATOM 779 N LEU A 51 -3.381 0.761 -5.326 1.00 0.00 N ATOM 780 CA LEU A 51 -3.248 -0.139 -4.185 1.00 0.00 C ATOM 781 C LEU A 51 -4.492 -0.090 -3.304 1.00 0.00 C ATOM 782 O LEU A 51 -5.057 0.978 -3.069 1.00 0.00 O ATOM 783 CB LEU A 51 -2.012 0.228 -3.363 1.00 0.00 C ATOM 784 CG LEU A 51 -1.390 -0.904 -2.543 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.072 -0.609 -2.250 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.164 -1.112 -1.250 1.00 0.00 C ATOM 0 H LEU A 51 -3.344 1.752 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.136 -1.154 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.253 0.618 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.279 1.037 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.444 -1.823 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.498 -1.425 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.618 -0.510 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.150 0.320 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.708 -1.921 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.142 -0.195 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.197 -1.369 -1.482 1.00 0.00 H new ATOM 798 N PHE A 52 -4.913 -1.253 -2.819 1.00 0.00 N ATOM 799 CA PHE A 52 -6.090 -1.343 -1.962 1.00 0.00 C ATOM 800 C PHE A 52 -5.839 -2.288 -0.791 1.00 0.00 C ATOM 801 O PHE A 52 -5.567 -3.473 -0.982 1.00 0.00 O ATOM 802 CB PHE A 52 -7.299 -1.822 -2.769 1.00 0.00 C ATOM 803 CG PHE A 52 -7.595 -0.969 -3.969 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.930 0.367 -3.819 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.540 -1.503 -5.246 1.00 0.00 C ATOM 806 CE1 PHE A 52 -8.203 1.156 -4.921 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.812 -0.719 -6.352 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.145 0.611 -6.189 1.00 0.00 C ATOM 0 H PHE A 52 -4.457 -2.146 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.297 -0.349 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.124 -2.847 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.175 -1.839 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.978 0.797 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.282 -2.543 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.461 2.197 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.764 -1.147 -7.343 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.360 1.224 -7.052 1.00 0.00 H new ATOM 818 N TYR A 53 -5.932 -1.754 0.422 1.00 0.00 N ATOM 819 CA TYR A 53 -5.713 -2.548 1.625 1.00 0.00 C ATOM 820 C TYR A 53 -7.031 -2.830 2.340 1.00 0.00 C ATOM 821 O TYR A 53 -7.739 -1.909 2.747 1.00 0.00 O ATOM 822 CB TYR A 53 -4.752 -1.824 2.571 1.00 0.00 C ATOM 823 CG TYR A 53 -5.377 -0.647 3.285 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.487 0.590 2.663 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.860 -0.773 4.582 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.056 1.668 3.312 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.433 0.299 5.238 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.528 1.518 4.600 1.00 0.00 C ATOM 829 OH TYR A 53 -7.098 2.589 5.249 1.00 0.00 O ATOM 0 H TYR A 53 -6.157 -0.775 0.598 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.272 -3.499 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.382 -2.533 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.889 -1.477 2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.121 0.711 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.786 -1.725 5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.131 2.623 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.805 0.183 6.245 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.379 2.315 6.147 1.00 0.00 H new ATOM 839 N TYR A 54 -7.353 -4.110 2.489 1.00 0.00 N ATOM 840 CA TYR A 54 -8.586 -4.516 3.152 1.00 0.00 C ATOM 841 C TYR A 54 -8.294 -5.130 4.517 1.00 0.00 C ATOM 842 O TYR A 54 -7.190 -5.612 4.771 1.00 0.00 O ATOM 843 CB TYR A 54 -9.352 -5.516 2.284 1.00 0.00 C ATOM 844 CG TYR A 54 -9.705 -4.982 0.914 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.811 -5.084 -0.145 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.933 -4.375 0.679 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.129 -4.597 -1.398 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.260 -3.887 -0.572 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.355 -4.000 -1.606 1.00 0.00 C ATOM 850 OH TYR A 54 -10.677 -3.514 -2.853 1.00 0.00 O ATOM 0 H TYR A 54 -6.777 -4.884 2.159 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.199 -3.627 3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.752 -6.419 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.268 -5.805 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.851 -5.552 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.643 -4.283 1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.422 -4.683 -2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.219 -3.420 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.646 -3.572 -2.986 1.00 0.00 H new ATOM 860 N LYS A 55 -9.292 -5.110 5.394 1.00 0.00 N ATOM 861 CA LYS A 55 -9.145 -5.666 6.734 1.00 0.00 C ATOM 862 C LYS A 55 -8.603 -7.090 6.676 1.00 0.00 C ATOM 863 O LYS A 55 -7.735 -7.467 7.464 1.00 0.00 O ATOM 864 CB LYS A 55 -10.490 -5.650 7.465 1.00 0.00 C ATOM 865 CG LYS A 55 -11.563 -6.481 6.782 1.00 0.00 C ATOM 866 CD LYS A 55 -12.955 -6.070 7.230 1.00 0.00 C ATOM 867 CE LYS A 55 -13.977 -7.160 6.944 1.00 0.00 C ATOM 868 NZ LYS A 55 -13.712 -8.391 7.739 1.00 0.00 N ATOM 0 H LYS A 55 -10.212 -4.714 5.201 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.433 -5.048 7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.347 -6.020 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.837 -4.620 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.479 -6.368 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.405 -7.536 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.945 -5.850 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.247 -5.153 6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.977 -6.789 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.961 -7.403 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.594 -8.933 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.004 -8.974 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.354 -8.127 8.679 1.00 0.00 H new ATOM 882 N ASP A 56 -9.118 -7.876 5.737 1.00 0.00 N ATOM 883 CA ASP A 56 -8.683 -9.259 5.575 1.00 0.00 C ATOM 884 C ASP A 56 -8.826 -9.706 4.123 1.00 0.00 C ATOM 885 O ASP A 56 -9.212 -8.921 3.258 1.00 0.00 O ATOM 886 CB ASP A 56 -9.493 -10.181 6.488 1.00 0.00 C ATOM 887 CG ASP A 56 -8.703 -11.397 6.930 1.00 0.00 C ATOM 888 OD1 ASP A 56 -7.933 -11.281 7.906 1.00 0.00 O ATOM 889 OD2 ASP A 56 -8.854 -12.465 6.300 1.00 0.00 O ATOM 0 H ASP A 56 -9.837 -7.580 5.077 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.631 -9.319 5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.818 -9.624 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.393 -10.506 5.966 1.00 0.00 H new ATOM 894 N GLU A 57 -8.510 -10.972 3.866 1.00 0.00 N ATOM 895 CA GLU A 57 -8.602 -11.522 2.518 1.00 0.00 C ATOM 896 C GLU A 57 -10.035 -11.452 1.998 1.00 0.00 C ATOM 897 O GLU A 57 -10.269 -11.440 0.789 1.00 0.00 O ATOM 898 CB GLU A 57 -8.111 -12.971 2.501 1.00 0.00 C ATOM 899 CG GLU A 57 -8.953 -13.909 3.350 1.00 0.00 C ATOM 900 CD GLU A 57 -8.566 -15.364 3.172 1.00 0.00 C ATOM 901 OE1 GLU A 57 -8.460 -15.811 2.010 1.00 0.00 O ATOM 902 OE2 GLU A 57 -8.368 -16.055 4.192 1.00 0.00 O ATOM 0 H GLU A 57 -8.189 -11.635 4.572 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.968 -10.923 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.105 -13.332 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.080 -13.001 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.848 -13.635 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.004 -13.782 3.091 1.00 0.00 H new ATOM 909 N LYS A 58 -10.991 -11.406 2.920 1.00 0.00 N ATOM 910 CA LYS A 58 -12.401 -11.337 2.557 1.00 0.00 C ATOM 911 C LYS A 58 -12.664 -10.165 1.616 1.00 0.00 C ATOM 912 O LYS A 58 -13.428 -10.285 0.660 1.00 0.00 O ATOM 913 CB LYS A 58 -13.266 -11.201 3.812 1.00 0.00 C ATOM 914 CG LYS A 58 -13.396 -12.490 4.603 1.00 0.00 C ATOM 915 CD LYS A 58 -14.670 -12.510 5.432 1.00 0.00 C ATOM 916 CE LYS A 58 -14.536 -11.650 6.680 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.777 -11.669 7.502 1.00 0.00 N ATOM 0 H LYS A 58 -10.814 -11.415 3.925 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.663 -12.261 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.840 -10.431 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.260 -10.860 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.392 -13.339 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.533 -12.604 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.504 -12.150 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.903 -13.536 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.698 -12.007 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.307 -10.624 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.646 -11.071 8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.572 -11.305 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.982 -12.644 7.799 1.00 0.00 H new ATOM 931 N GLU A 59 -12.024 -9.033 1.895 1.00 0.00 N ATOM 932 CA GLU A 59 -12.190 -7.841 1.072 1.00 0.00 C ATOM 933 C GLU A 59 -13.645 -7.383 1.063 1.00 0.00 C ATOM 934 O GLU A 59 -14.212 -7.104 0.007 1.00 0.00 O ATOM 935 CB GLU A 59 -11.720 -8.112 -0.359 1.00 0.00 C ATOM 936 CG GLU A 59 -10.226 -8.361 -0.472 1.00 0.00 C ATOM 937 CD GLU A 59 -9.772 -8.545 -1.907 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.073 -7.668 -2.743 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.115 -9.568 -2.194 1.00 0.00 O ATOM 0 H GLU A 59 -11.387 -8.917 2.683 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.580 -7.047 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.255 -8.978 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.987 -7.262 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.687 -7.523 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.965 -9.248 0.104 1.00 0.00 H new ATOM 946 N GLU A 60 -14.244 -7.310 2.248 1.00 0.00 N ATOM 947 CA GLU A 60 -15.634 -6.888 2.377 1.00 0.00 C ATOM 948 C GLU A 60 -15.824 -5.472 1.842 1.00 0.00 C ATOM 949 O GLU A 60 -16.669 -5.231 0.980 1.00 0.00 O ATOM 950 CB GLU A 60 -16.078 -6.957 3.839 1.00 0.00 C ATOM 951 CG GLU A 60 -16.535 -8.340 4.272 1.00 0.00 C ATOM 952 CD GLU A 60 -17.995 -8.599 3.952 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.285 -9.044 2.821 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.847 -8.356 4.832 1.00 0.00 O ATOM 0 H GLU A 60 -13.788 -7.538 3.132 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.249 -7.567 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.252 -6.641 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.892 -6.249 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.920 -9.093 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.377 -8.452 5.345 1.00 0.00 H new ATOM 961 N SER A 61 -15.032 -4.539 2.360 1.00 0.00 N ATOM 962 CA SER A 61 -15.116 -3.145 1.939 1.00 0.00 C ATOM 963 C SER A 61 -13.742 -2.482 1.980 1.00 0.00 C ATOM 964 O SER A 61 -12.947 -2.733 2.886 1.00 0.00 O ATOM 965 CB SER A 61 -16.092 -2.378 2.833 1.00 0.00 C ATOM 966 OG SER A 61 -16.660 -1.279 2.141 1.00 0.00 O ATOM 0 H SER A 61 -14.325 -4.723 3.072 1.00 0.00 H new ATOM 0 HA SER A 61 -15.481 -3.122 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.883 -3.047 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.573 -2.023 3.723 1.00 0.00 H new ATOM 0 HG SER A 61 -17.281 -0.806 2.733 1.00 0.00 H new ATOM 972 N ILE A 62 -13.471 -1.635 0.993 1.00 0.00 N ATOM 973 CA ILE A 62 -12.195 -0.935 0.916 1.00 0.00 C ATOM 974 C ILE A 62 -12.012 0.006 2.102 1.00 0.00 C ATOM 975 O ILE A 62 -12.904 0.789 2.431 1.00 0.00 O ATOM 976 CB ILE A 62 -12.074 -0.127 -0.389 1.00 0.00 C ATOM 977 CG1 ILE A 62 -12.189 -1.054 -1.601 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.757 0.634 -0.421 1.00 0.00 C ATOM 979 CD1 ILE A 62 -12.394 -0.319 -2.907 1.00 0.00 C ATOM 0 H ILE A 62 -14.118 -1.417 0.235 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.416 -1.697 0.936 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.890 0.595 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.285 -1.659 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.021 -1.741 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.686 1.200 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.712 1.319 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.928 -0.071 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.467 -1.039 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.313 0.265 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.550 0.347 -3.086 1.00 0.00 H new ATOM 991 N LEU A 63 -10.850 -0.075 2.740 1.00 0.00 N ATOM 992 CA LEU A 63 -10.548 0.771 3.890 1.00 0.00 C ATOM 993 C LEU A 63 -9.939 2.097 3.445 1.00 0.00 C ATOM 994 O LEU A 63 -10.230 3.148 4.015 1.00 0.00 O ATOM 995 CB LEU A 63 -9.590 0.051 4.840 1.00 0.00 C ATOM 996 CG LEU A 63 -9.985 -1.370 5.242 1.00 0.00 C ATOM 997 CD1 LEU A 63 -8.891 -2.012 6.081 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.306 -1.363 5.999 1.00 0.00 C ATOM 0 H LEU A 63 -10.101 -0.718 2.481 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.482 0.978 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.606 0.015 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.491 0.649 5.746 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.112 -1.961 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.190 -3.023 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.967 -2.052 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.731 -1.422 6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.571 -2.383 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.207 -0.756 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.087 -0.945 5.364 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.093 2.041 2.420 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.459 3.244 1.915 1.00 0.00 C ATOM 1012 C GLY A 64 -7.604 2.979 0.691 1.00 0.00 C ATOM 1013 O GLY A 64 -6.778 2.066 0.689 1.00 0.00 O ATOM 0 H GLY A 64 -8.836 1.184 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.226 3.978 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.840 3.681 2.699 1.00 0.00 H new ATOM 1017 N SER A 65 -7.805 3.777 -0.353 1.00 0.00 N ATOM 1018 CA SER A 65 -7.050 3.620 -1.590 1.00 0.00 C ATOM 1019 C SER A 65 -5.900 4.621 -1.656 1.00 0.00 C ATOM 1020 O SER A 65 -6.004 5.736 -1.143 1.00 0.00 O ATOM 1021 CB SER A 65 -7.969 3.801 -2.800 1.00 0.00 C ATOM 1022 OG SER A 65 -8.391 5.148 -2.922 1.00 0.00 O ATOM 0 H SER A 65 -8.484 4.538 -0.367 1.00 0.00 H new ATOM 0 HA SER A 65 -6.633 2.613 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.446 3.497 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.839 3.152 -2.701 1.00 0.00 H new ATOM 0 HG SER A 65 -9.096 5.210 -3.600 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.806 4.215 -2.292 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.638 5.076 -2.426 1.00 0.00 C ATOM 1030 C ILE A 66 -3.029 4.964 -3.820 1.00 0.00 C ATOM 1031 O ILE A 66 -2.621 3.890 -4.261 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.562 4.733 -1.379 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.159 4.768 0.029 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.390 5.697 -1.488 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.512 3.791 0.985 1.00 0.00 C ATOM 0 H ILE A 66 -4.704 3.296 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.980 6.098 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.197 3.725 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.061 5.776 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.226 4.552 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.638 5.441 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.952 5.626 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.739 6.715 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.986 3.871 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.633 2.776 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.450 4.020 1.076 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.964 6.100 -4.530 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.405 6.156 -5.884 1.00 0.00 C ATOM 1049 C PRO A 67 -0.894 5.947 -5.896 1.00 0.00 C ATOM 1050 O PRO A 67 -0.174 6.499 -5.063 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.752 7.571 -6.353 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.885 8.364 -5.099 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.432 7.417 -4.067 1.00 0.00 C ATOM 0 HA PRO A 67 -2.806 5.370 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.972 7.977 -6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.678 7.582 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.921 8.766 -4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.553 9.213 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.057 7.649 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.520 7.462 -4.017 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.420 5.147 -6.845 1.00 0.00 N ATOM 1062 CA LEU A 68 1.006 4.865 -6.965 1.00 0.00 C ATOM 1063 C LEU A 68 1.539 5.321 -8.320 1.00 0.00 C ATOM 1064 O LEU A 68 2.725 5.619 -8.464 1.00 0.00 O ATOM 1065 CB LEU A 68 1.268 3.369 -6.779 1.00 0.00 C ATOM 1066 CG LEU A 68 0.916 2.792 -5.408 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.887 1.272 -5.460 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.905 3.273 -4.356 1.00 0.00 C ATOM 0 H LEU A 68 -1.002 4.683 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 68 1.528 5.419 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.703 2.825 -7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.324 3.179 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.078 3.145 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.635 0.879 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.139 0.947 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.867 0.899 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.638 2.852 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.910 2.951 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.876 4.361 -4.300 1.00 0.00 H new ATOM 1080 N LEU A 69 0.654 5.376 -9.309 1.00 0.00 N ATOM 1081 CA LEU A 69 1.034 5.799 -10.653 1.00 0.00 C ATOM 1082 C LEU A 69 1.879 7.069 -10.606 1.00 0.00 C ATOM 1083 O LEU A 69 2.590 7.389 -11.558 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.213 6.034 -11.507 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.052 7.004 -12.678 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.786 6.375 -13.780 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.412 7.425 -13.214 1.00 0.00 C ATOM 0 H LEU A 69 -0.331 5.133 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 69 1.630 5.004 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.546 5.073 -11.900 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.007 6.406 -10.860 1.00 0.00 H new ATOM 0 HG LEU A 69 0.465 7.894 -12.319 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.890 7.080 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.773 6.125 -13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.297 5.468 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.277 8.115 -14.047 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.956 6.545 -13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.978 7.917 -12.423 1.00 0.00 H new ATOM 1099 N SER A 70 1.796 7.787 -9.490 1.00 0.00 N ATOM 1100 CA SER A 70 2.552 9.022 -9.319 1.00 0.00 C ATOM 1101 C SER A 70 3.704 8.823 -8.339 1.00 0.00 C ATOM 1102 O SER A 70 4.679 9.576 -8.348 1.00 0.00 O ATOM 1103 CB SER A 70 1.634 10.142 -8.824 1.00 0.00 C ATOM 1104 OG SER A 70 0.656 10.467 -9.797 1.00 0.00 O ATOM 0 H SER A 70 1.213 7.535 -8.692 1.00 0.00 H new ATOM 0 HA SER A 70 2.966 9.302 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.144 9.834 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.227 11.026 -8.590 1.00 0.00 H new ATOM 0 HG SER A 70 0.081 11.184 -9.456 1.00 0.00 H new ATOM 1110 N PHE A 71 3.585 7.804 -7.495 1.00 0.00 N ATOM 1111 CA PHE A 71 4.615 7.505 -6.507 1.00 0.00 C ATOM 1112 C PHE A 71 5.692 6.600 -7.101 1.00 0.00 C ATOM 1113 O PHE A 71 5.496 5.994 -8.154 1.00 0.00 O ATOM 1114 CB PHE A 71 3.995 6.839 -5.278 1.00 0.00 C ATOM 1115 CG PHE A 71 3.238 7.792 -4.397 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.046 8.354 -4.826 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.718 8.126 -3.141 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.348 9.232 -4.018 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.025 9.003 -2.329 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.838 9.556 -2.768 1.00 0.00 C ATOM 0 H PHE A 71 2.785 7.171 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 71 5.079 8.445 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.322 6.046 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.784 6.366 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.658 8.103 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.645 7.696 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.421 9.664 -4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.411 9.256 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.294 10.241 -2.135 1.00 0.00 H new ATOM 1130 N ARG A 72 6.828 6.516 -6.417 1.00 0.00 N ATOM 1131 CA ARG A 72 7.937 5.688 -6.877 1.00 0.00 C ATOM 1132 C ARG A 72 8.384 4.722 -5.783 1.00 0.00 C ATOM 1133 O ARG A 72 9.254 5.045 -4.974 1.00 0.00 O ATOM 1134 CB ARG A 72 9.112 6.566 -7.309 1.00 0.00 C ATOM 1135 CG ARG A 72 10.327 5.775 -7.765 1.00 0.00 C ATOM 1136 CD ARG A 72 11.578 6.640 -7.789 1.00 0.00 C ATOM 1137 NE ARG A 72 12.618 6.075 -8.644 1.00 0.00 N ATOM 1138 CZ ARG A 72 13.450 5.115 -8.254 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.363 4.616 -7.029 1.00 0.00 N ATOM 1140 NH2 ARG A 72 14.370 4.652 -9.090 1.00 0.00 N ATOM 0 H ARG A 72 7.005 7.011 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 72 7.594 5.107 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.788 7.218 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.399 7.210 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.482 4.927 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.145 5.368 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.321 7.639 -8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.962 6.750 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 72 12.711 6.437 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.656 4.969 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.003 3.879 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.440 5.033 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.008 3.915 -8.789 1.00 0.00 H new ATOM 1154 N VAL A 73 7.782 3.537 -5.764 1.00 0.00 N ATOM 1155 CA VAL A 73 8.119 2.525 -4.771 1.00 0.00 C ATOM 1156 C VAL A 73 9.568 2.073 -4.915 1.00 0.00 C ATOM 1157 O VAL A 73 10.106 2.024 -6.020 1.00 0.00 O ATOM 1158 CB VAL A 73 7.196 1.297 -4.886 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.588 0.236 -3.869 1.00 0.00 C ATOM 1160 CG2 VAL A 73 5.742 1.705 -4.709 1.00 0.00 C ATOM 0 H VAL A 73 7.058 3.255 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 73 7.981 2.984 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 73 7.311 0.871 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.925 -0.623 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.616 -0.077 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.504 0.648 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.104 0.825 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.608 2.157 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.470 2.426 -5.480 1.00 0.00 H new ATOM 1170 N ALA A 74 10.194 1.745 -3.790 1.00 0.00 N ATOM 1171 CA ALA A 74 11.580 1.295 -3.790 1.00 0.00 C ATOM 1172 C ALA A 74 12.016 0.854 -2.397 1.00 0.00 C ATOM 1173 O ALA A 74 11.716 1.517 -1.404 1.00 0.00 O ATOM 1174 CB ALA A 74 12.493 2.397 -4.307 1.00 0.00 C ATOM 0 H ALA A 74 9.763 1.783 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 74 11.655 0.434 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.525 2.047 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.205 2.661 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.404 3.274 -3.666 1.00 0.00 H new ATOM 1180 N ALA A 75 12.723 -0.268 -2.330 1.00 0.00 N ATOM 1181 CA ALA A 75 13.201 -0.796 -1.058 1.00 0.00 C ATOM 1182 C ALA A 75 13.711 0.323 -0.156 1.00 0.00 C ATOM 1183 O ALA A 75 13.985 1.430 -0.619 1.00 0.00 O ATOM 1184 CB ALA A 75 14.294 -1.828 -1.292 1.00 0.00 C ATOM 0 H ALA A 75 12.978 -0.830 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 75 12.363 -1.279 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.641 -2.214 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.898 -2.648 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.127 -1.363 -1.819 1.00 0.00 H new ATOM 1190 N VAL A 76 13.836 0.027 1.134 1.00 0.00 N ATOM 1191 CA VAL A 76 14.313 1.008 2.101 1.00 0.00 C ATOM 1192 C VAL A 76 15.817 1.222 1.969 1.00 0.00 C ATOM 1193 O VAL A 76 16.464 0.632 1.104 1.00 0.00 O ATOM 1194 CB VAL A 76 13.992 0.576 3.544 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.520 0.802 3.853 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.373 -0.880 3.762 1.00 0.00 C ATOM 0 H VAL A 76 13.613 -0.885 1.533 1.00 0.00 H new ATOM 0 HA VAL A 76 13.795 1.943 1.886 1.00 0.00 H new ATOM 0 HB VAL A 76 14.581 1.188 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.311 0.491 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.283 1.860 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.910 0.217 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.139 -1.168 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.813 -1.510 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.441 -1.007 3.584 1.00 0.00 H new ATOM 1206 N GLN A 77 16.367 2.068 2.834 1.00 0.00 N ATOM 1207 CA GLN A 77 17.795 2.360 2.814 1.00 0.00 C ATOM 1208 C GLN A 77 18.396 2.237 4.210 1.00 0.00 C ATOM 1209 O GLN A 77 17.695 2.293 5.221 1.00 0.00 O ATOM 1210 CB GLN A 77 18.042 3.765 2.262 1.00 0.00 C ATOM 1211 CG GLN A 77 18.129 3.817 0.745 1.00 0.00 C ATOM 1212 CD GLN A 77 17.969 5.221 0.198 1.00 0.00 C ATOM 1213 OE1 GLN A 77 18.714 6.131 0.564 1.00 0.00 O ATOM 1214 NE2 GLN A 77 16.993 5.406 -0.683 1.00 0.00 N ATOM 0 H GLN A 77 15.845 2.563 3.557 1.00 0.00 H new ATOM 0 HA GLN A 77 18.280 1.631 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.239 4.423 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.968 4.154 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.091 3.415 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.358 3.175 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.399 4.624 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.837 6.331 -1.085 1.00 0.00 H new ATOM 1223 N PRO A 78 19.724 2.064 4.270 1.00 0.00 N ATOM 1224 CA PRO A 78 20.449 1.929 5.537 1.00 0.00 C ATOM 1225 C PRO A 78 20.484 3.233 6.327 1.00 0.00 C ATOM 1226 O PRO A 78 21.075 3.302 7.404 1.00 0.00 O ATOM 1227 CB PRO A 78 21.860 1.532 5.099 1.00 0.00 C ATOM 1228 CG PRO A 78 21.994 2.072 3.716 1.00 0.00 C ATOM 1229 CD PRO A 78 20.622 1.988 3.105 1.00 0.00 C ATOM 0 HA PRO A 78 19.975 1.206 6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.614 1.954 5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.990 0.450 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.352 3.101 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.715 1.493 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.443 2.805 2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.485 1.059 2.552 1.00 0.00 H new ATOM 1237 N SER A 79 19.847 4.266 5.784 1.00 0.00 N ATOM 1238 CA SER A 79 19.808 5.569 6.436 1.00 0.00 C ATOM 1239 C SER A 79 18.471 5.786 7.138 1.00 0.00 C ATOM 1240 O SER A 79 18.382 6.538 8.109 1.00 0.00 O ATOM 1241 CB SER A 79 20.046 6.682 5.414 1.00 0.00 C ATOM 1242 OG SER A 79 18.904 6.878 4.598 1.00 0.00 O ATOM 0 H SER A 79 19.351 4.225 4.894 1.00 0.00 H new ATOM 0 HA SER A 79 20.600 5.597 7.184 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.290 7.609 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.904 6.430 4.790 1.00 0.00 H new ATOM 0 HG SER A 79 19.081 7.596 3.954 1.00 0.00 H new ATOM 1248 N ASP A 80 17.434 5.121 6.641 1.00 0.00 N ATOM 1249 CA ASP A 80 16.101 5.239 7.220 1.00 0.00 C ATOM 1250 C ASP A 80 16.055 4.612 8.610 1.00 0.00 C ATOM 1251 O ASP A 80 16.859 3.739 8.934 1.00 0.00 O ATOM 1252 CB ASP A 80 15.067 4.573 6.312 1.00 0.00 C ATOM 1253 CG ASP A 80 14.489 5.533 5.291 1.00 0.00 C ATOM 1254 OD1 ASP A 80 14.343 6.729 5.617 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.181 5.088 4.165 1.00 0.00 O ATOM 0 H ASP A 80 17.491 4.494 5.838 1.00 0.00 H new ATOM 0 HA ASP A 80 15.864 6.299 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.530 3.732 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.260 4.167 6.922 1.00 0.00 H new ATOM 1260 N ASN A 81 15.109 5.064 9.427 1.00 0.00 N ATOM 1261 CA ASN A 81 14.959 4.549 10.782 1.00 0.00 C ATOM 1262 C ASN A 81 14.058 3.318 10.800 1.00 0.00 C ATOM 1263 O ASN A 81 13.115 3.238 11.588 1.00 0.00 O ATOM 1264 CB ASN A 81 14.384 5.629 11.701 1.00 0.00 C ATOM 1265 CG ASN A 81 13.202 6.347 11.078 1.00 0.00 C ATOM 1266 OD1 ASN A 81 13.370 7.217 10.223 1.00 0.00 O ATOM 1267 ND2 ASN A 81 11.998 5.986 11.506 1.00 0.00 N ATOM 0 H ASN A 81 14.435 5.786 9.174 1.00 0.00 H new ATOM 0 HA ASN A 81 15.946 4.261 11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.075 5.175 12.642 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.163 6.354 11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.165 6.435 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.906 5.260 12.216 1.00 0.00 H new ATOM 1274 N ILE A 82 14.355 2.362 9.927 1.00 0.00 N ATOM 1275 CA ILE A 82 13.573 1.134 9.843 1.00 0.00 C ATOM 1276 C ILE A 82 14.324 -0.039 10.463 1.00 0.00 C ATOM 1277 O ILE A 82 15.500 -0.259 10.174 1.00 0.00 O ATOM 1278 CB ILE A 82 13.220 0.790 8.384 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.418 1.928 7.748 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.440 -0.514 8.322 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.012 2.052 8.291 1.00 0.00 C ATOM 0 H ILE A 82 15.131 2.414 9.268 1.00 0.00 H new ATOM 0 HA ILE A 82 12.652 1.308 10.399 1.00 0.00 H new ATOM 0 HB ILE A 82 14.145 0.665 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.946 2.868 7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.370 1.770 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.198 -0.744 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.044 -1.319 8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.519 -0.415 8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.502 2.878 7.796 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.467 1.126 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.052 2.241 9.364 1.00 0.00 H new ATOM 1293 N SER A 83 13.635 -0.791 11.316 1.00 0.00 N ATOM 1294 CA SER A 83 14.237 -1.942 11.979 1.00 0.00 C ATOM 1295 C SER A 83 14.262 -3.152 11.050 1.00 0.00 C ATOM 1296 O SER A 83 15.309 -3.762 10.836 1.00 0.00 O ATOM 1297 CB SER A 83 13.467 -2.281 13.257 1.00 0.00 C ATOM 1298 OG SER A 83 13.927 -1.506 14.350 1.00 0.00 O ATOM 0 H SER A 83 12.660 -0.624 11.564 1.00 0.00 H new ATOM 0 HA SER A 83 15.264 -1.685 12.239 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.403 -2.102 13.103 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.582 -3.341 13.484 1.00 0.00 H new ATOM 0 HG SER A 83 13.418 -1.740 15.154 1.00 0.00 H new ATOM 1304 N ARG A 84 13.100 -3.493 10.502 1.00 0.00 N ATOM 1305 CA ARG A 84 12.988 -4.631 9.597 1.00 0.00 C ATOM 1306 C ARG A 84 14.050 -4.564 8.504 1.00 0.00 C ATOM 1307 O ARG A 84 14.641 -3.511 8.261 1.00 0.00 O ATOM 1308 CB ARG A 84 11.594 -4.672 8.967 1.00 0.00 C ATOM 1309 CG ARG A 84 10.472 -4.835 9.979 1.00 0.00 C ATOM 1310 CD ARG A 84 9.150 -4.318 9.434 1.00 0.00 C ATOM 1311 NE ARG A 84 8.009 -5.034 9.996 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.775 -6.325 9.787 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.600 -7.037 9.032 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.715 -6.906 10.333 1.00 0.00 N ATOM 0 H ARG A 84 12.224 -2.998 10.669 1.00 0.00 H new ATOM 0 HA ARG A 84 13.145 -5.541 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.432 -3.753 8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.551 -5.495 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.371 -5.887 10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.725 -4.298 10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.057 -3.255 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.142 -4.418 8.349 1.00 0.00 H new ATOM 0 HE ARG A 84 7.355 -4.514 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.416 -6.594 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.419 -8.028 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.078 -6.362 10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.537 -7.897 10.171 1.00 0.00 H new ATOM 1328 N LYS A 85 14.288 -5.694 7.848 1.00 0.00 N ATOM 1329 CA LYS A 85 15.279 -5.765 6.780 1.00 0.00 C ATOM 1330 C LYS A 85 14.618 -5.611 5.414 1.00 0.00 C ATOM 1331 O LYS A 85 14.803 -4.601 4.734 1.00 0.00 O ATOM 1332 CB LYS A 85 16.035 -7.094 6.845 1.00 0.00 C ATOM 1333 CG LYS A 85 16.873 -7.255 8.102 1.00 0.00 C ATOM 1334 CD LYS A 85 17.997 -8.258 7.898 1.00 0.00 C ATOM 1335 CE LYS A 85 18.787 -8.478 9.179 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.949 -9.384 8.965 1.00 0.00 N ATOM 0 H LYS A 85 13.808 -6.574 8.037 1.00 0.00 H new ATOM 0 HA LYS A 85 15.984 -4.946 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.318 -7.913 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.683 -7.177 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.292 -6.290 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.237 -7.582 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.582 -9.207 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.665 -7.903 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.139 -7.519 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.132 -8.901 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.462 -9.509 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.611 -10.308 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.587 -8.969 8.256 1.00 0.00 H new ATOM 1350 N HIS A 86 13.846 -6.618 5.018 1.00 0.00 N ATOM 1351 CA HIS A 86 13.156 -6.593 3.733 1.00 0.00 C ATOM 1352 C HIS A 86 11.965 -5.639 3.774 1.00 0.00 C ATOM 1353 O HIS A 86 10.826 -6.059 3.983 1.00 0.00 O ATOM 1354 CB HIS A 86 12.685 -7.998 3.356 1.00 0.00 C ATOM 1355 CG HIS A 86 13.585 -9.086 3.856 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.837 -9.328 3.331 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.409 -9.997 4.842 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.391 -10.342 3.970 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.546 -10.766 4.893 1.00 0.00 N ATOM 0 H HIS A 86 13.683 -7.461 5.568 1.00 0.00 H new ATOM 0 HA HIS A 86 13.858 -6.238 2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.683 -8.155 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.612 -8.069 2.271 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.537 -10.100 5.471 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.369 -10.755 3.772 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.711 -11.539 5.538 1.00 0.00 H new ATOM 1368 N THR A 87 12.236 -4.353 3.575 1.00 0.00 N ATOM 1369 CA THR A 87 11.189 -3.340 3.592 1.00 0.00 C ATOM 1370 C THR A 87 11.300 -2.415 2.385 1.00 0.00 C ATOM 1371 O THR A 87 12.374 -2.265 1.802 1.00 0.00 O ATOM 1372 CB THR A 87 11.244 -2.496 4.879 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.118 -3.343 6.026 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.138 -1.451 4.889 1.00 0.00 C ATOM 0 H THR A 87 13.172 -3.989 3.400 1.00 0.00 H new ATOM 0 HA THR A 87 10.237 -3.869 3.555 1.00 0.00 H new ATOM 0 HB THR A 87 12.206 -1.984 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.429 -2.984 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.197 -0.867 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.255 -0.789 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.169 -1.947 4.836 1.00 0.00 H new ATOM 1382 N PHE A 88 10.184 -1.795 2.016 1.00 0.00 N ATOM 1383 CA PHE A 88 10.156 -0.884 0.878 1.00 0.00 C ATOM 1384 C PHE A 88 9.159 0.248 1.111 1.00 0.00 C ATOM 1385 O PHE A 88 8.016 0.013 1.502 1.00 0.00 O ATOM 1386 CB PHE A 88 9.794 -1.642 -0.401 1.00 0.00 C ATOM 1387 CG PHE A 88 8.578 -2.512 -0.258 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.580 -3.588 0.615 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.435 -2.254 -0.996 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.463 -4.391 0.748 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.314 -3.054 -0.867 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.328 -4.123 0.007 1.00 0.00 C ATOM 0 H PHE A 88 9.287 -1.907 2.489 1.00 0.00 H new ATOM 0 HA PHE A 88 11.150 -0.452 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.625 -0.924 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.640 -2.261 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.464 -3.801 1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.419 -1.419 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.477 -5.228 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.429 -2.843 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.454 -4.748 0.111 1.00 0.00 H new ATOM 1402 N LYS A 89 9.602 1.477 0.870 1.00 0.00 N ATOM 1403 CA LYS A 89 8.751 2.647 1.053 1.00 0.00 C ATOM 1404 C LYS A 89 8.485 3.340 -0.280 1.00 0.00 C ATOM 1405 O LYS A 89 9.328 3.326 -1.176 1.00 0.00 O ATOM 1406 CB LYS A 89 9.402 3.629 2.029 1.00 0.00 C ATOM 1407 CG LYS A 89 10.549 4.419 1.424 1.00 0.00 C ATOM 1408 CD LYS A 89 11.880 3.716 1.631 1.00 0.00 C ATOM 1409 CE LYS A 89 12.888 4.105 0.560 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.601 5.367 0.902 1.00 0.00 N ATOM 0 H LYS A 89 10.546 1.689 0.547 1.00 0.00 H new ATOM 0 HA LYS A 89 7.799 2.312 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.644 4.324 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.769 3.078 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.373 4.560 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.586 5.411 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.277 3.968 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.729 2.637 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.613 3.301 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.376 4.224 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.459 5.450 0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.978 6.179 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.865 5.355 1.908 1.00 0.00 H new ATOM 1424 N ALA A 90 7.309 3.946 -0.403 1.00 0.00 N ATOM 1425 CA ALA A 90 6.934 4.647 -1.624 1.00 0.00 C ATOM 1426 C ALA A 90 6.619 6.112 -1.342 1.00 0.00 C ATOM 1427 O ALA A 90 5.998 6.438 -0.332 1.00 0.00 O ATOM 1428 CB ALA A 90 5.742 3.965 -2.279 1.00 0.00 C ATOM 0 H ALA A 90 6.599 3.965 0.329 1.00 0.00 H new ATOM 0 HA ALA A 90 7.781 4.611 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.473 4.499 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.002 2.936 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.896 3.971 -1.591 1.00 0.00 H new ATOM 1434 N GLU A 91 7.052 6.989 -2.242 1.00 0.00 N ATOM 1435 CA GLU A 91 6.817 8.420 -2.087 1.00 0.00 C ATOM 1436 C GLU A 91 6.457 9.060 -3.425 1.00 0.00 C ATOM 1437 O GLU A 91 6.845 8.569 -4.485 1.00 0.00 O ATOM 1438 CB GLU A 91 8.054 9.102 -1.499 1.00 0.00 C ATOM 1439 CG GLU A 91 8.992 9.672 -2.550 1.00 0.00 C ATOM 1440 CD GLU A 91 10.382 9.940 -2.007 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.143 8.969 -1.817 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.709 11.123 -1.772 1.00 0.00 O ATOM 0 H GLU A 91 7.567 6.734 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 91 5.979 8.553 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.735 9.905 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.600 8.382 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.061 8.976 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.573 10.600 -2.941 1.00 0.00 H new ATOM 1449 N HIS A 92 5.713 10.160 -3.367 1.00 0.00 N ATOM 1450 CA HIS A 92 5.300 10.868 -4.573 1.00 0.00 C ATOM 1451 C HIS A 92 6.126 12.136 -4.769 1.00 0.00 C ATOM 1452 O HIS A 92 7.012 12.186 -5.622 1.00 0.00 O ATOM 1453 CB HIS A 92 3.814 11.220 -4.500 1.00 0.00 C ATOM 1454 CG HIS A 92 3.432 12.386 -5.359 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.418 13.261 -5.033 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.935 12.819 -6.539 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.313 14.181 -5.975 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.223 13.936 -6.900 1.00 0.00 N ATOM 0 H HIS A 92 5.384 10.580 -2.498 1.00 0.00 H new ATOM 0 HA HIS A 92 5.468 10.210 -5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.228 10.351 -4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.552 11.440 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.746 12.369 -7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.604 14.995 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.373 14.487 -7.745 1.00 0.00 H new ATOM 1467 N ALA A 93 5.830 13.158 -3.973 1.00 0.00 N ATOM 1468 CA ALA A 93 6.546 14.425 -4.058 1.00 0.00 C ATOM 1469 C ALA A 93 6.082 15.391 -2.973 1.00 0.00 C ATOM 1470 O ALA A 93 4.998 15.965 -3.062 1.00 0.00 O ATOM 1471 CB ALA A 93 6.360 15.045 -5.435 1.00 0.00 C ATOM 0 H ALA A 93 5.099 13.133 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 93 7.606 14.226 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.900 15.991 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.747 14.366 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.300 15.223 -5.614 1.00 0.00 H new ATOM 1477 N GLY A 94 6.911 15.566 -1.948 1.00 0.00 N ATOM 1478 CA GLY A 94 6.568 16.463 -0.861 1.00 0.00 C ATOM 1479 C GLY A 94 5.131 16.300 -0.407 1.00 0.00 C ATOM 1480 O GLY A 94 4.415 17.284 -0.223 1.00 0.00 O ATOM 0 H GLY A 94 7.814 15.102 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.235 16.280 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.731 17.493 -1.179 1.00 0.00 H new ATOM 1484 N VAL A 95 4.707 15.053 -0.226 1.00 0.00 N ATOM 1485 CA VAL A 95 3.345 14.764 0.209 1.00 0.00 C ATOM 1486 C VAL A 95 3.336 13.751 1.348 1.00 0.00 C ATOM 1487 O VAL A 95 2.819 14.026 2.431 1.00 0.00 O ATOM 1488 CB VAL A 95 2.488 14.224 -0.952 1.00 0.00 C ATOM 1489 CG1 VAL A 95 2.117 15.346 -1.909 1.00 0.00 C ATOM 1490 CG2 VAL A 95 3.223 13.110 -1.682 1.00 0.00 C ATOM 0 H VAL A 95 5.287 14.227 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 95 2.918 15.704 0.559 1.00 0.00 H new ATOM 0 HB VAL A 95 1.567 13.812 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.512 14.945 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.548 16.107 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.024 15.791 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.604 12.740 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.161 13.495 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.432 12.296 -0.988 1.00 0.00 H new ATOM 1500 N ARG A 96 3.910 12.580 1.096 1.00 0.00 N ATOM 1501 CA ARG A 96 3.967 11.525 2.100 1.00 0.00 C ATOM 1502 C ARG A 96 4.843 10.369 1.626 1.00 0.00 C ATOM 1503 O ARG A 96 5.193 10.283 0.448 1.00 0.00 O ATOM 1504 CB ARG A 96 2.559 11.015 2.416 1.00 0.00 C ATOM 1505 CG ARG A 96 2.032 10.015 1.400 1.00 0.00 C ATOM 1506 CD ARG A 96 0.512 9.957 1.413 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.016 9.743 2.758 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.394 10.729 3.564 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -0.302 11.989 3.164 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -0.865 10.454 4.774 1.00 0.00 N ATOM 0 H ARG A 96 4.343 12.338 0.205 1.00 0.00 H new ATOM 0 HA ARG A 96 4.406 11.944 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.563 10.551 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.877 11.864 2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.378 10.290 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.437 9.026 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.110 10.886 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.174 9.153 0.759 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.099 8.784 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.060 12.204 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.593 12.744 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.937 9.485 5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.155 11.211 5.393 1.00 0.00 H new ATOM 1524 N THR A 97 5.196 9.482 2.551 1.00 0.00 N ATOM 1525 CA THR A 97 6.032 8.333 2.229 1.00 0.00 C ATOM 1526 C THR A 97 5.477 7.057 2.852 1.00 0.00 C ATOM 1527 O THR A 97 5.567 6.856 4.063 1.00 0.00 O ATOM 1528 CB THR A 97 7.480 8.539 2.712 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.901 9.881 2.441 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.423 7.559 2.030 1.00 0.00 C ATOM 0 H THR A 97 4.915 9.538 3.530 1.00 0.00 H new ATOM 0 HA THR A 97 6.029 8.235 1.143 1.00 0.00 H new ATOM 0 HB THR A 97 7.510 8.359 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.822 10.004 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.440 7.724 2.387 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.118 6.539 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.388 7.711 0.951 1.00 0.00 H new ATOM 1538 N TYR A 98 4.904 6.197 2.017 1.00 0.00 N ATOM 1539 CA TYR A 98 4.333 4.941 2.486 1.00 0.00 C ATOM 1540 C TYR A 98 5.425 3.904 2.732 1.00 0.00 C ATOM 1541 O TYR A 98 6.499 3.963 2.133 1.00 0.00 O ATOM 1542 CB TYR A 98 3.324 4.403 1.469 1.00 0.00 C ATOM 1543 CG TYR A 98 2.072 5.244 1.357 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.033 5.103 2.268 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.930 6.179 0.339 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.113 5.868 2.168 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.788 6.950 0.233 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.231 6.790 1.149 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.370 7.555 1.047 1.00 0.00 O ATOM 0 H TYR A 98 4.823 6.347 1.011 1.00 0.00 H new ATOM 0 HA TYR A 98 3.821 5.134 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.802 4.345 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.046 3.387 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.123 4.383 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.725 6.305 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.912 5.745 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.694 7.674 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.750 7.697 1.939 1.00 0.00 H new ATOM 1559 N PHE A 99 5.142 2.955 3.618 1.00 0.00 N ATOM 1560 CA PHE A 99 6.099 1.904 3.945 1.00 0.00 C ATOM 1561 C PHE A 99 5.416 0.541 3.988 1.00 0.00 C ATOM 1562 O PHE A 99 4.324 0.397 4.540 1.00 0.00 O ATOM 1563 CB PHE A 99 6.767 2.195 5.290 1.00 0.00 C ATOM 1564 CG PHE A 99 7.834 3.250 5.214 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.499 4.594 5.212 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.172 2.896 5.144 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.478 5.567 5.142 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.156 3.865 5.075 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.808 5.202 5.073 1.00 0.00 C ATOM 0 H PHE A 99 4.258 2.892 4.123 1.00 0.00 H new ATOM 0 HA PHE A 99 6.860 1.884 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.006 2.510 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.204 1.274 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.460 4.885 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.449 1.852 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.203 6.611 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.196 3.577 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.575 5.960 5.018 1.00 0.00 H new ATOM 1579 N PHE A 100 6.066 -0.459 3.401 1.00 0.00 N ATOM 1580 CA PHE A 100 5.522 -1.811 3.370 1.00 0.00 C ATOM 1581 C PHE A 100 6.622 -2.846 3.586 1.00 0.00 C ATOM 1582 O PHE A 100 7.694 -2.762 2.987 1.00 0.00 O ATOM 1583 CB PHE A 100 4.818 -2.070 2.037 1.00 0.00 C ATOM 1584 CG PHE A 100 3.936 -0.938 1.595 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.886 -0.508 2.391 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.156 -0.303 0.383 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.072 0.534 1.987 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.346 0.740 -0.026 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.302 1.158 0.777 1.00 0.00 C ATOM 0 H PHE A 100 6.970 -0.358 2.940 1.00 0.00 H new ATOM 0 HA PHE A 100 4.798 -1.902 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.569 -2.256 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.218 -2.976 2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.701 -0.993 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.970 -0.627 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.257 0.859 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.529 1.228 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.667 1.971 0.459 1.00 0.00 H new ATOM 1599 N SER A 101 6.349 -3.821 4.447 1.00 0.00 N ATOM 1600 CA SER A 101 7.317 -4.869 4.747 1.00 0.00 C ATOM 1601 C SER A 101 6.833 -6.220 4.227 1.00 0.00 C ATOM 1602 O SER A 101 5.636 -6.430 4.034 1.00 0.00 O ATOM 1603 CB SER A 101 7.564 -4.949 6.254 1.00 0.00 C ATOM 1604 OG SER A 101 6.736 -5.929 6.856 1.00 0.00 O ATOM 0 H SER A 101 5.465 -3.907 4.949 1.00 0.00 H new ATOM 0 HA SER A 101 8.252 -4.620 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.611 -5.188 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.372 -3.977 6.709 1.00 0.00 H new ATOM 0 HG SER A 101 7.197 -6.794 6.853 1.00 0.00 H new ATOM 1610 N ALA A 102 7.774 -7.132 4.003 1.00 0.00 N ATOM 1611 CA ALA A 102 7.444 -8.463 3.508 1.00 0.00 C ATOM 1612 C ALA A 102 8.132 -9.542 4.336 1.00 0.00 C ATOM 1613 O ALA A 102 9.355 -9.546 4.475 1.00 0.00 O ATOM 1614 CB ALA A 102 7.833 -8.592 2.043 1.00 0.00 C ATOM 0 H ALA A 102 8.770 -6.973 4.156 1.00 0.00 H new ATOM 0 HA ALA A 102 6.367 -8.602 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.581 -9.591 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.292 -7.850 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.905 -8.428 1.935 1.00 0.00 H new ATOM 1620 N GLU A 103 7.338 -10.456 4.886 1.00 0.00 N ATOM 1621 CA GLU A 103 7.872 -11.540 5.702 1.00 0.00 C ATOM 1622 C GLU A 103 9.213 -12.022 5.156 1.00 0.00 C ATOM 1623 O GLU A 103 10.208 -12.072 5.879 1.00 0.00 O ATOM 1624 CB GLU A 103 6.882 -12.705 5.754 1.00 0.00 C ATOM 1625 CG GLU A 103 5.661 -12.429 6.615 1.00 0.00 C ATOM 1626 CD GLU A 103 5.878 -12.796 8.070 1.00 0.00 C ATOM 1627 OE1 GLU A 103 6.807 -12.238 8.691 1.00 0.00 O ATOM 1628 OE2 GLU A 103 5.119 -13.642 8.588 1.00 0.00 O ATOM 0 H GLU A 103 6.323 -10.467 4.781 1.00 0.00 H new ATOM 0 HA GLU A 103 8.026 -11.158 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.556 -12.939 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.393 -13.588 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.403 -11.372 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.812 -12.990 6.225 1.00 0.00 H new ATOM 1635 N SER A 104 9.231 -12.377 3.875 1.00 0.00 N ATOM 1636 CA SER A 104 10.448 -12.859 3.233 1.00 0.00 C ATOM 1637 C SER A 104 10.949 -11.858 2.196 1.00 0.00 C ATOM 1638 O SER A 104 10.215 -10.983 1.736 1.00 0.00 O ATOM 1639 CB SER A 104 10.197 -14.215 2.569 1.00 0.00 C ATOM 1640 OG SER A 104 10.468 -15.279 3.464 1.00 0.00 O ATOM 0 H SER A 104 8.417 -12.340 3.262 1.00 0.00 H new ATOM 0 HA SER A 104 11.213 -12.974 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.162 -14.273 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.825 -14.312 1.683 1.00 0.00 H new ATOM 0 HG SER A 104 10.298 -16.134 3.016 1.00 0.00 H new ATOM 1646 N PRO A 105 12.230 -11.988 1.819 1.00 0.00 N ATOM 1647 CA PRO A 105 12.858 -11.104 0.833 1.00 0.00 C ATOM 1648 C PRO A 105 12.319 -11.330 -0.575 1.00 0.00 C ATOM 1649 O PRO A 105 12.465 -10.477 -1.449 1.00 0.00 O ATOM 1650 CB PRO A 105 14.339 -11.487 0.907 1.00 0.00 C ATOM 1651 CG PRO A 105 14.342 -12.892 1.402 1.00 0.00 C ATOM 1652 CD PRO A 105 13.162 -13.008 2.327 1.00 0.00 C ATOM 0 HA PRO A 105 12.664 -10.053 1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.817 -11.410 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.885 -10.828 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.260 -13.597 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.271 -13.120 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.723 -14.005 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.443 -12.816 3.363 1.00 0.00 H new ATOM 1660 N GLU A 106 11.695 -12.485 -0.787 1.00 0.00 N ATOM 1661 CA GLU A 106 11.134 -12.822 -2.090 1.00 0.00 C ATOM 1662 C GLU A 106 9.879 -12.001 -2.371 1.00 0.00 C ATOM 1663 O GLU A 106 9.672 -11.528 -3.488 1.00 0.00 O ATOM 1664 CB GLU A 106 10.806 -14.315 -2.158 1.00 0.00 C ATOM 1665 CG GLU A 106 11.965 -15.171 -2.640 1.00 0.00 C ATOM 1666 CD GLU A 106 11.530 -16.565 -3.049 1.00 0.00 C ATOM 1667 OE1 GLU A 106 10.433 -16.698 -3.631 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.287 -17.523 -2.786 1.00 0.00 O ATOM 0 H GLU A 106 11.565 -13.202 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 106 11.879 -12.586 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.500 -14.657 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.955 -14.462 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.446 -14.681 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.711 -15.245 -1.849 1.00 0.00 H new ATOM 1675 N GLU A 107 9.045 -11.837 -1.348 1.00 0.00 N ATOM 1676 CA GLU A 107 7.809 -11.074 -1.486 1.00 0.00 C ATOM 1677 C GLU A 107 8.106 -9.598 -1.731 1.00 0.00 C ATOM 1678 O GLU A 107 7.505 -8.971 -2.603 1.00 0.00 O ATOM 1679 CB GLU A 107 6.945 -11.231 -0.233 1.00 0.00 C ATOM 1680 CG GLU A 107 6.052 -12.460 -0.259 1.00 0.00 C ATOM 1681 CD GLU A 107 6.839 -13.754 -0.204 1.00 0.00 C ATOM 1682 OE1 GLU A 107 7.274 -14.139 0.902 1.00 0.00 O ATOM 1683 OE2 GLU A 107 7.020 -14.384 -1.268 1.00 0.00 O ATOM 0 H GLU A 107 9.202 -12.221 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 107 7.264 -11.465 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.594 -11.282 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.323 -10.343 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.363 -12.422 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.447 -12.446 -1.165 1.00 0.00 H new ATOM 1690 N GLN A 108 9.036 -9.050 -0.956 1.00 0.00 N ATOM 1691 CA GLN A 108 9.412 -7.647 -1.089 1.00 0.00 C ATOM 1692 C GLN A 108 9.804 -7.322 -2.526 1.00 0.00 C ATOM 1693 O GLN A 108 9.203 -6.458 -3.162 1.00 0.00 O ATOM 1694 CB GLN A 108 10.568 -7.316 -0.144 1.00 0.00 C ATOM 1695 CG GLN A 108 11.205 -5.962 -0.414 1.00 0.00 C ATOM 1696 CD GLN A 108 12.594 -5.842 0.181 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.245 -6.845 0.476 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.057 -4.610 0.360 1.00 0.00 N ATOM 0 H GLN A 108 9.543 -9.556 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 108 8.548 -7.038 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.205 -7.339 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.330 -8.091 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.259 -5.798 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.569 -5.177 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.484 -3.807 0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.986 -4.467 0.756 1.00 0.00 H new ATOM 1707 N GLU A 109 10.816 -8.021 -3.030 1.00 0.00 N ATOM 1708 CA GLU A 109 11.289 -7.804 -4.393 1.00 0.00 C ATOM 1709 C GLU A 109 10.157 -7.996 -5.398 1.00 0.00 C ATOM 1710 O GLU A 109 9.947 -7.161 -6.278 1.00 0.00 O ATOM 1711 CB GLU A 109 12.439 -8.761 -4.715 1.00 0.00 C ATOM 1712 CG GLU A 109 11.983 -10.084 -5.306 1.00 0.00 C ATOM 1713 CD GLU A 109 13.143 -10.974 -5.709 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.830 -10.641 -6.697 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.364 -12.002 -5.036 1.00 0.00 O ATOM 0 H GLU A 109 11.324 -8.741 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 109 11.648 -6.777 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.119 -8.275 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.004 -8.956 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.363 -10.608 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.357 -9.892 -6.178 1.00 0.00 H new ATOM 1722 N ALA A 110 9.432 -9.101 -5.261 1.00 0.00 N ATOM 1723 CA ALA A 110 8.321 -9.402 -6.155 1.00 0.00 C ATOM 1724 C ALA A 110 7.302 -8.267 -6.166 1.00 0.00 C ATOM 1725 O ALA A 110 6.797 -7.884 -7.221 1.00 0.00 O ATOM 1726 CB ALA A 110 7.656 -10.708 -5.749 1.00 0.00 C ATOM 0 H ALA A 110 9.594 -9.803 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 110 8.718 -9.508 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.828 -10.920 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.383 -11.518 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.279 -10.623 -4.730 1.00 0.00 H new ATOM 1732 N TRP A 111 7.004 -7.736 -4.986 1.00 0.00 N ATOM 1733 CA TRP A 111 6.043 -6.645 -4.860 1.00 0.00 C ATOM 1734 C TRP A 111 6.512 -5.416 -5.630 1.00 0.00 C ATOM 1735 O TRP A 111 5.786 -4.887 -6.473 1.00 0.00 O ATOM 1736 CB TRP A 111 5.834 -6.290 -3.387 1.00 0.00 C ATOM 1737 CG TRP A 111 4.711 -7.049 -2.746 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.819 -8.034 -1.806 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.312 -6.887 -3.002 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.571 -8.493 -1.461 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.629 -7.805 -2.180 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.569 -6.054 -3.842 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.241 -7.912 -2.177 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.192 -6.162 -3.839 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.539 -7.085 -3.011 1.00 0.00 C ATOM 0 H TRP A 111 7.413 -8.042 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 111 5.096 -6.977 -5.284 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.755 -6.487 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.635 -5.222 -3.303 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.749 -8.398 -1.395 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.377 -9.227 -0.780 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.063 -5.338 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.736 -8.622 -1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.608 -5.524 -4.486 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.539 -7.145 -3.032 1.00 0.00 H new ATOM 1756 N ILE A 112 7.727 -4.966 -5.336 1.00 0.00 N ATOM 1757 CA ILE A 112 8.291 -3.799 -6.003 1.00 0.00 C ATOM 1758 C ILE A 112 8.132 -3.901 -7.516 1.00 0.00 C ATOM 1759 O ILE A 112 7.809 -2.919 -8.183 1.00 0.00 O ATOM 1760 CB ILE A 112 9.783 -3.625 -5.665 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.954 -3.241 -4.194 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.412 -2.574 -6.569 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.388 -3.307 -3.715 1.00 0.00 C ATOM 0 H ILE A 112 8.340 -5.392 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 112 7.741 -2.931 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 112 10.292 -4.574 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.576 -2.230 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.344 -3.904 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.467 -2.462 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.318 -2.885 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.903 -1.621 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.434 -3.022 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.764 -4.323 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.000 -2.623 -4.303 1.00 0.00 H new ATOM 1775 N GLN A 113 8.361 -5.096 -8.051 1.00 0.00 N ATOM 1776 CA GLN A 113 8.242 -5.326 -9.486 1.00 0.00 C ATOM 1777 C GLN A 113 6.908 -4.806 -10.012 1.00 0.00 C ATOM 1778 O GLN A 113 6.862 -4.082 -11.005 1.00 0.00 O ATOM 1779 CB GLN A 113 8.381 -6.817 -9.798 1.00 0.00 C ATOM 1780 CG GLN A 113 9.723 -7.402 -9.391 1.00 0.00 C ATOM 1781 CD GLN A 113 10.152 -8.553 -10.279 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.737 -8.649 -11.434 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.988 -9.435 -9.743 1.00 0.00 N ATOM 0 H GLN A 113 8.630 -5.920 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 113 9.045 -4.782 -9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.587 -7.362 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.237 -6.971 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.481 -6.620 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.667 -7.746 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.307 -9.316 -8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.311 -10.231 -10.293 1.00 0.00 H new ATOM 1792 N ALA A 114 5.825 -5.181 -9.338 1.00 0.00 N ATOM 1793 CA ALA A 114 4.491 -4.752 -9.737 1.00 0.00 C ATOM 1794 C ALA A 114 4.198 -3.339 -9.242 1.00 0.00 C ATOM 1795 O ALA A 114 3.864 -2.453 -10.027 1.00 0.00 O ATOM 1796 CB ALA A 114 3.445 -5.724 -9.213 1.00 0.00 C ATOM 0 H ALA A 114 5.846 -5.781 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 114 4.450 -4.744 -10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.453 -5.391 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.635 -6.717 -9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.496 -5.761 -8.125 1.00 0.00 H new ATOM 1802 N MET A 115 4.326 -3.137 -7.934 1.00 0.00 N ATOM 1803 CA MET A 115 4.075 -1.832 -7.335 1.00 0.00 C ATOM 1804 C MET A 115 4.950 -0.761 -7.979 1.00 0.00 C ATOM 1805 O MET A 115 4.445 0.196 -8.566 1.00 0.00 O ATOM 1806 CB MET A 115 4.335 -1.880 -5.828 1.00 0.00 C ATOM 1807 CG MET A 115 3.110 -2.262 -5.012 1.00 0.00 C ATOM 1808 SD MET A 115 3.213 -1.701 -3.302 1.00 0.00 S ATOM 1809 CE MET A 115 2.872 -3.225 -2.425 1.00 0.00 C ATOM 0 H MET A 115 4.602 -3.860 -7.270 1.00 0.00 H new ATOM 0 HA MET A 115 3.030 -1.576 -7.508 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.133 -2.596 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.692 -0.904 -5.498 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.221 -1.836 -5.477 1.00 0.00 H new ATOM 0 HG3 MET A 115 2.990 -3.345 -5.028 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.795 -3.021 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.933 -3.648 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.680 -3.935 -2.601 1.00 0.00 H new ATOM 1819 N GLY A 116 6.264 -0.929 -7.866 1.00 0.00 N ATOM 1820 CA GLY A 116 7.187 0.032 -8.442 1.00 0.00 C ATOM 1821 C GLY A 116 6.861 0.354 -9.887 1.00 0.00 C ATOM 1822 O GLY A 116 6.724 1.520 -10.253 1.00 0.00 O ATOM 0 H GLY A 116 6.706 -1.713 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.165 0.950 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.202 -0.361 -8.381 1.00 0.00 H new ATOM 1826 N GLU A 117 6.740 -0.683 -10.710 1.00 0.00 N ATOM 1827 CA GLU A 117 6.431 -0.504 -12.124 1.00 0.00 C ATOM 1828 C GLU A 117 5.150 0.306 -12.302 1.00 0.00 C ATOM 1829 O GLU A 117 5.144 1.340 -12.970 1.00 0.00 O ATOM 1830 CB GLU A 117 6.289 -1.862 -12.814 1.00 0.00 C ATOM 1831 CG GLU A 117 7.617 -2.479 -13.221 1.00 0.00 C ATOM 1832 CD GLU A 117 8.720 -2.204 -12.218 1.00 0.00 C ATOM 1833 OE1 GLU A 117 9.169 -1.042 -12.135 1.00 0.00 O ATOM 1834 OE2 GLU A 117 9.134 -3.150 -11.516 1.00 0.00 O ATOM 0 H GLU A 117 6.851 -1.655 -10.422 1.00 0.00 H new ATOM 0 HA GLU A 117 7.254 0.044 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.769 -2.548 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.665 -1.747 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.494 -3.556 -13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.911 -2.089 -14.195 1.00 0.00 H new ATOM 1841 N ALA A 118 4.066 -0.173 -11.701 1.00 0.00 N ATOM 1842 CA ALA A 118 2.779 0.506 -11.792 1.00 0.00 C ATOM 1843 C ALA A 118 2.881 1.945 -11.295 1.00 0.00 C ATOM 1844 O ALA A 118 2.009 2.769 -11.568 1.00 0.00 O ATOM 1845 CB ALA A 118 1.724 -0.253 -11.001 1.00 0.00 C ATOM 0 H ALA A 118 4.053 -1.029 -11.146 1.00 0.00 H new ATOM 0 HA ALA A 118 2.483 0.531 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.768 0.266 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.623 -1.261 -11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.024 -0.308 -9.954 1.00 0.00 H new ATOM 1851 N ALA A 119 3.952 2.239 -10.565 1.00 0.00 N ATOM 1852 CA ALA A 119 4.168 3.578 -10.031 1.00 0.00 C ATOM 1853 C ALA A 119 5.028 4.412 -10.975 1.00 0.00 C ATOM 1854 O ALA A 119 4.776 5.602 -11.171 1.00 0.00 O ATOM 1855 CB ALA A 119 4.813 3.501 -8.656 1.00 0.00 C ATOM 0 H ALA A 119 4.683 1.568 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 119 3.198 4.066 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.968 4.508 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.161 2.949 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.773 2.990 -8.732 1.00 0.00 H new ATOM 1861 N ARG A 120 6.043 3.782 -11.556 1.00 0.00 N ATOM 1862 CA ARG A 120 6.941 4.467 -12.478 1.00 0.00 C ATOM 1863 C ARG A 120 6.216 4.839 -13.768 1.00 0.00 C ATOM 1864 O ARG A 120 5.374 4.086 -14.258 1.00 0.00 O ATOM 1865 CB ARG A 120 8.150 3.586 -12.795 1.00 0.00 C ATOM 1866 CG ARG A 120 7.920 2.630 -13.954 1.00 0.00 C ATOM 1867 CD ARG A 120 8.865 1.440 -13.892 1.00 0.00 C ATOM 1868 NE ARG A 120 10.210 1.785 -14.344 1.00 0.00 N ATOM 1869 CZ ARG A 120 11.089 0.892 -14.785 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.765 -0.393 -14.832 1.00 0.00 N ATOM 1871 NH2 ARG A 120 12.294 1.283 -15.180 1.00 0.00 N ATOM 0 H ARG A 120 6.264 2.798 -11.405 1.00 0.00 H new ATOM 0 HA ARG A 120 7.284 5.383 -11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.003 4.224 -13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.412 3.011 -11.907 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.889 2.278 -13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.061 3.159 -14.897 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.911 1.067 -12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.471 0.632 -14.509 1.00 0.00 H new ATOM 0 HE ARG A 120 10.490 2.766 -14.320 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.840 -0.697 -14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.441 -1.077 -15.171 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.547 2.271 -15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.968 0.596 -15.518 1.00 0.00 H new ATOM 1885 N VAL A 121 6.549 6.004 -14.313 1.00 0.00 N ATOM 1886 CA VAL A 121 5.931 6.476 -15.547 1.00 0.00 C ATOM 1887 C VAL A 121 6.980 6.995 -16.523 1.00 0.00 C ATOM 1888 O VAL A 121 7.487 8.106 -16.371 1.00 0.00 O ATOM 1889 CB VAL A 121 4.905 7.591 -15.270 1.00 0.00 C ATOM 1890 CG1 VAL A 121 4.161 7.961 -16.544 1.00 0.00 C ATOM 1891 CG2 VAL A 121 3.934 7.163 -14.181 1.00 0.00 C ATOM 0 H VAL A 121 7.244 6.639 -13.920 1.00 0.00 H new ATOM 0 HA VAL A 121 5.418 5.623 -15.991 1.00 0.00 H new ATOM 0 HB VAL A 121 5.440 8.474 -14.921 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.441 8.750 -16.329 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.872 8.313 -17.291 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.636 7.085 -16.926 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.216 7.963 -13.998 1.00 0.00 H new ATOM 0 HG22 VAL A 121 3.404 6.265 -14.499 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.485 6.954 -13.264 1.00 0.00 H new ATOM 1901 N GLN A 122 7.299 6.184 -17.527 1.00 0.00 N ATOM 1902 CA GLN A 122 8.289 6.563 -18.529 1.00 0.00 C ATOM 1903 C GLN A 122 7.645 7.369 -19.652 1.00 0.00 C ATOM 1904 O GLN A 122 8.003 8.523 -19.887 1.00 0.00 O ATOM 1905 CB GLN A 122 8.967 5.318 -19.102 1.00 0.00 C ATOM 1906 CG GLN A 122 10.216 4.900 -18.342 1.00 0.00 C ATOM 1907 CD GLN A 122 9.897 4.140 -17.070 1.00 0.00 C ATOM 1908 OE1 GLN A 122 9.395 3.017 -17.113 1.00 0.00 O ATOM 1909 NE2 GLN A 122 10.189 4.750 -15.927 1.00 0.00 N ATOM 0 H GLN A 122 6.887 5.262 -17.668 1.00 0.00 H new ATOM 0 HA GLN A 122 9.040 7.186 -18.044 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.255 4.492 -19.097 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.231 5.505 -20.143 1.00 0.00 H new ATOM 0 HG2 GLN A 122 10.838 4.278 -18.986 1.00 0.00 H new ATOM 0 HG3 GLN A 122 10.800 5.786 -18.095 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.605 5.681 -15.938 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.998 4.287 -15.038 1.00 0.00 H new TER 1918 GLN A 122