USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 603 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 44 GLN : amide:sc= -0.299 X(o=-3.7,f=-3.9) USER MOD Set 1.2: A 46 HIS :FLIP no HE2:sc= -3.4 F(o=-4.4!,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0347 (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= -0.0979 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.034) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 61:sc= 0.227 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 117:sc= 1.81 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00933 USER MOD Single : A 28 GLN : amide:sc= -5.01! C(o=-5!,f=-6.5!) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= -0.184 (180deg=-0.241) USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -0.329 (180deg=-3.35!) USER MOD Single : A 32 MET CE :methyl -134:sc= -1.99 (180deg=-6.13!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.036) USER MOD Single : A 55 CYS SG : rot 180:sc= -0.338 USER MOD Single : A 58 THR OG1 : rot -148:sc= 1.37 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -176:sc= -6.61! (180deg=-7.14!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.148 F(o=-0.76,f=-0.15) USER MOD Single : A 71 ASN : amide:sc=-0.00522 X(o=-0.0052,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.761! K(o=-0.76!,f=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ -125:sc= 0.745 (180deg=-1.12!) USER MOD Single : A 74 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.4) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 40:sc= 0.421 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.203 -26.716 20.688 1.00 0.00 N ATOM 2 CA GLY A 1 10.660 -25.750 19.748 1.00 0.00 C ATOM 3 C GLY A 1 11.766 -24.863 19.173 1.00 0.00 C ATOM 4 O GLY A 1 12.748 -24.569 19.854 1.00 0.00 O ATOM 0 H1 GLY A 1 10.535 -26.849 21.474 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.354 -27.624 20.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.110 -26.367 21.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.150 -26.272 18.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.915 -25.131 20.247 1.00 0.00 H new ATOM 8 N SER A 2 11.570 -24.461 17.926 1.00 0.00 N ATOM 9 CA SER A 2 12.538 -23.614 17.252 1.00 0.00 C ATOM 10 C SER A 2 11.859 -22.843 16.118 1.00 0.00 C ATOM 11 O SER A 2 10.859 -23.297 15.565 1.00 0.00 O ATOM 12 CB SER A 2 13.707 -24.438 16.707 1.00 0.00 C ATOM 13 OG SER A 2 13.315 -25.262 15.613 1.00 0.00 O ATOM 0 H SER A 2 10.754 -24.707 17.365 1.00 0.00 H new ATOM 0 HA SER A 2 12.936 -22.905 17.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.505 -23.768 16.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.113 -25.062 17.503 1.00 0.00 H new ATOM 0 HG SER A 2 14.089 -25.770 15.293 1.00 0.00 H new ATOM 19 N SER A 3 12.430 -21.689 15.805 1.00 0.00 N ATOM 20 CA SER A 3 11.893 -20.851 14.747 1.00 0.00 C ATOM 21 C SER A 3 11.911 -21.608 13.418 1.00 0.00 C ATOM 22 O SER A 3 12.574 -22.638 13.295 1.00 0.00 O ATOM 23 CB SER A 3 12.681 -19.545 14.624 1.00 0.00 C ATOM 24 OG SER A 3 11.846 -18.401 14.775 1.00 0.00 O ATOM 0 H SER A 3 13.259 -21.315 16.266 1.00 0.00 H new ATOM 0 HA SER A 3 10.863 -20.600 15.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.466 -19.523 15.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.173 -19.509 13.652 1.00 0.00 H new ATOM 0 HG SER A 3 12.387 -17.588 14.692 1.00 0.00 H new ATOM 30 N GLY A 4 11.176 -21.070 12.456 1.00 0.00 N ATOM 31 CA GLY A 4 11.099 -21.683 11.141 1.00 0.00 C ATOM 32 C GLY A 4 10.263 -20.829 10.186 1.00 0.00 C ATOM 33 O GLY A 4 9.214 -20.312 10.566 1.00 0.00 O ATOM 0 H GLY A 4 10.628 -20.216 12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.103 -21.811 10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.660 -22.677 11.224 1.00 0.00 H new ATOM 37 N SER A 5 10.760 -20.707 8.964 1.00 0.00 N ATOM 38 CA SER A 5 10.072 -19.924 7.951 1.00 0.00 C ATOM 39 C SER A 5 9.288 -20.849 7.018 1.00 0.00 C ATOM 40 O SER A 5 9.471 -22.065 7.045 1.00 0.00 O ATOM 41 CB SER A 5 11.058 -19.073 7.149 1.00 0.00 C ATOM 42 OG SER A 5 10.392 -18.176 6.264 1.00 0.00 O ATOM 0 H SER A 5 11.631 -21.137 8.652 1.00 0.00 H new ATOM 0 HA SER A 5 9.377 -19.250 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.688 -18.506 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.717 -19.725 6.576 1.00 0.00 H new ATOM 0 HG SER A 5 11.056 -17.649 5.771 1.00 0.00 H new ATOM 48 N SER A 6 8.429 -20.238 6.215 1.00 0.00 N ATOM 49 CA SER A 6 7.616 -20.991 5.275 1.00 0.00 C ATOM 50 C SER A 6 7.307 -20.134 4.047 1.00 0.00 C ATOM 51 O SER A 6 7.629 -20.514 2.922 1.00 0.00 O ATOM 52 CB SER A 6 6.319 -21.469 5.930 1.00 0.00 C ATOM 53 OG SER A 6 6.403 -22.827 6.354 1.00 0.00 O ATOM 0 H SER A 6 8.278 -19.229 6.196 1.00 0.00 H new ATOM 0 HA SER A 6 8.179 -21.871 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.091 -20.835 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.495 -21.360 5.225 1.00 0.00 H new ATOM 0 HG SER A 6 5.556 -23.093 6.768 1.00 0.00 H new ATOM 59 N GLY A 7 6.685 -18.992 4.303 1.00 0.00 N ATOM 60 CA GLY A 7 6.328 -18.078 3.231 1.00 0.00 C ATOM 61 C GLY A 7 7.574 -17.585 2.493 1.00 0.00 C ATOM 62 O GLY A 7 8.516 -17.095 3.116 1.00 0.00 O ATOM 0 H GLY A 7 6.419 -18.679 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.660 -18.578 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.783 -17.227 3.640 1.00 0.00 H new ATOM 66 N SER A 8 7.540 -17.731 1.177 1.00 0.00 N ATOM 67 CA SER A 8 8.655 -17.306 0.347 1.00 0.00 C ATOM 68 C SER A 8 8.366 -17.625 -1.121 1.00 0.00 C ATOM 69 O SER A 8 7.708 -18.618 -1.426 1.00 0.00 O ATOM 70 CB SER A 8 9.957 -17.977 0.790 1.00 0.00 C ATOM 71 OG SER A 8 10.958 -17.921 -0.223 1.00 0.00 O ATOM 0 H SER A 8 6.758 -18.138 0.664 1.00 0.00 H new ATOM 0 HA SER A 8 8.776 -16.229 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.327 -17.490 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.759 -19.018 1.047 1.00 0.00 H new ATOM 0 HG SER A 8 11.774 -18.358 0.099 1.00 0.00 H new ATOM 77 N ASN A 9 8.872 -16.763 -1.991 1.00 0.00 N ATOM 78 CA ASN A 9 8.676 -16.941 -3.420 1.00 0.00 C ATOM 79 C ASN A 9 10.019 -17.267 -4.077 1.00 0.00 C ATOM 80 O ASN A 9 10.984 -16.519 -3.931 1.00 0.00 O ATOM 81 CB ASN A 9 8.133 -15.664 -4.064 1.00 0.00 C ATOM 82 CG ASN A 9 6.640 -15.497 -3.775 1.00 0.00 C ATOM 83 OD1 ASN A 9 5.819 -16.337 -4.106 1.00 0.00 O ATOM 84 ND2 ASN A 9 6.334 -14.369 -3.141 1.00 0.00 N ATOM 0 H ASN A 9 9.417 -15.940 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 9 7.961 -17.751 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.679 -14.800 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.297 -15.697 -5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.363 -14.165 -2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.070 -13.708 -2.893 1.00 0.00 H new ATOM 91 N PRO A 10 10.037 -18.415 -4.807 1.00 0.00 N ATOM 92 CA PRO A 10 11.245 -18.849 -5.488 1.00 0.00 C ATOM 93 C PRO A 10 11.502 -18.008 -6.740 1.00 0.00 C ATOM 94 O PRO A 10 12.623 -17.555 -6.968 1.00 0.00 O ATOM 95 CB PRO A 10 11.015 -20.320 -5.797 1.00 0.00 C ATOM 96 CG PRO A 10 9.514 -20.536 -5.697 1.00 0.00 C ATOM 97 CD PRO A 10 8.913 -19.325 -5.003 1.00 0.00 C ATOM 0 HA PRO A 10 12.140 -18.718 -4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.381 -20.572 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.549 -20.956 -5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.080 -20.662 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.296 -21.445 -5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.133 -18.866 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.455 -19.600 -4.053 1.00 0.00 H new ATOM 105 N SER A 11 10.446 -17.824 -7.518 1.00 0.00 N ATOM 106 CA SER A 11 10.543 -17.046 -8.740 1.00 0.00 C ATOM 107 C SER A 11 9.386 -16.048 -8.818 1.00 0.00 C ATOM 108 O SER A 11 8.232 -16.441 -8.982 1.00 0.00 O ATOM 109 CB SER A 11 10.545 -17.953 -9.972 1.00 0.00 C ATOM 110 OG SER A 11 11.771 -18.667 -10.107 1.00 0.00 O ATOM 0 H SER A 11 9.518 -18.201 -7.325 1.00 0.00 H new ATOM 0 HA SER A 11 11.486 -16.499 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.719 -18.661 -9.903 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.375 -17.352 -10.865 1.00 0.00 H new ATOM 0 HG SER A 11 11.732 -19.236 -10.904 1.00 0.00 H new ATOM 116 N SER A 12 9.735 -14.775 -8.698 1.00 0.00 N ATOM 117 CA SER A 12 8.740 -13.718 -8.753 1.00 0.00 C ATOM 118 C SER A 12 9.414 -12.380 -9.061 1.00 0.00 C ATOM 119 O SER A 12 9.882 -11.693 -8.153 1.00 0.00 O ATOM 120 CB SER A 12 7.958 -13.629 -7.441 1.00 0.00 C ATOM 121 OG SER A 12 7.013 -12.562 -7.454 1.00 0.00 O ATOM 0 H SER A 12 10.693 -14.452 -8.563 1.00 0.00 H new ATOM 0 HA SER A 12 8.035 -13.954 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.439 -14.571 -7.264 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.653 -13.488 -6.613 1.00 0.00 H new ATOM 0 HG SER A 12 6.533 -12.540 -6.600 1.00 0.00 H new ATOM 127 N SER A 13 9.444 -12.049 -10.343 1.00 0.00 N ATOM 128 CA SER A 13 10.054 -10.805 -10.782 1.00 0.00 C ATOM 129 C SER A 13 10.002 -10.707 -12.308 1.00 0.00 C ATOM 130 O SER A 13 10.333 -11.663 -13.007 1.00 0.00 O ATOM 131 CB SER A 13 11.499 -10.697 -10.291 1.00 0.00 C ATOM 132 OG SER A 13 12.237 -11.891 -10.539 1.00 0.00 O ATOM 0 H SER A 13 9.055 -12.621 -11.093 1.00 0.00 H new ATOM 0 HA SER A 13 9.491 -9.977 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.989 -9.859 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.504 -10.483 -9.222 1.00 0.00 H new ATOM 0 HG SER A 13 13.155 -11.782 -10.213 1.00 0.00 H new ATOM 138 N GLY A 14 9.585 -9.541 -12.780 1.00 0.00 N ATOM 139 CA GLY A 14 9.486 -9.306 -14.210 1.00 0.00 C ATOM 140 C GLY A 14 9.984 -7.904 -14.571 1.00 0.00 C ATOM 141 O GLY A 14 10.365 -7.132 -13.692 1.00 0.00 O ATOM 0 H GLY A 14 9.312 -8.749 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.071 -10.053 -14.746 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.451 -9.422 -14.530 1.00 0.00 H new ATOM 145 N GLY A 15 9.964 -7.619 -15.864 1.00 0.00 N ATOM 146 CA GLY A 15 10.408 -6.324 -16.352 1.00 0.00 C ATOM 147 C GLY A 15 9.333 -5.666 -17.219 1.00 0.00 C ATOM 148 O GLY A 15 8.342 -5.152 -16.702 1.00 0.00 O ATOM 0 H GLY A 15 9.647 -8.262 -16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.647 -5.676 -15.509 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.324 -6.444 -16.931 1.00 0.00 H new ATOM 152 N THR A 16 9.564 -5.704 -18.523 1.00 0.00 N ATOM 153 CA THR A 16 8.628 -5.118 -19.466 1.00 0.00 C ATOM 154 C THR A 16 8.141 -6.174 -20.460 1.00 0.00 C ATOM 155 O THR A 16 8.754 -7.231 -20.599 1.00 0.00 O ATOM 156 CB THR A 16 9.315 -3.925 -20.135 1.00 0.00 C ATOM 157 OG1 THR A 16 10.393 -4.509 -20.862 1.00 0.00 O ATOM 158 CG2 THR A 16 10.002 -3.003 -19.126 1.00 0.00 C ATOM 0 H THR A 16 10.386 -6.132 -18.948 1.00 0.00 H new ATOM 0 HA THR A 16 7.733 -4.755 -18.961 1.00 0.00 H new ATOM 0 HB THR A 16 8.580 -3.356 -20.705 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.892 -3.806 -21.328 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.473 -2.174 -19.653 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.262 -2.615 -18.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.760 -3.563 -18.579 1.00 0.00 H new ATOM 166 N THR A 17 7.041 -5.851 -21.126 1.00 0.00 N ATOM 167 CA THR A 17 6.465 -6.759 -22.103 1.00 0.00 C ATOM 168 C THR A 17 5.387 -6.047 -22.922 1.00 0.00 C ATOM 169 O THR A 17 5.509 -5.922 -24.140 1.00 0.00 O ATOM 170 CB THR A 17 5.945 -7.990 -21.356 1.00 0.00 C ATOM 171 OG1 THR A 17 6.792 -9.047 -21.798 1.00 0.00 O ATOM 172 CG2 THR A 17 4.550 -8.410 -21.819 1.00 0.00 C ATOM 0 H THR A 17 6.534 -4.974 -21.008 1.00 0.00 H new ATOM 0 HA THR A 17 7.213 -7.089 -22.824 1.00 0.00 H new ATOM 0 HB THR A 17 5.924 -7.783 -20.286 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.720 -8.845 -21.557 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.229 -9.287 -21.257 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.849 -7.593 -21.648 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.576 -8.649 -22.882 1.00 0.00 H new ATOM 180 N LYS A 18 4.356 -5.598 -22.221 1.00 0.00 N ATOM 181 CA LYS A 18 3.258 -4.900 -22.869 1.00 0.00 C ATOM 182 C LYS A 18 2.272 -4.411 -21.805 1.00 0.00 C ATOM 183 O LYS A 18 1.731 -3.312 -21.914 1.00 0.00 O ATOM 184 CB LYS A 18 2.617 -5.787 -23.939 1.00 0.00 C ATOM 185 CG LYS A 18 1.855 -6.951 -23.303 1.00 0.00 C ATOM 186 CD LYS A 18 0.924 -7.616 -24.318 1.00 0.00 C ATOM 187 CE LYS A 18 0.447 -8.979 -23.813 1.00 0.00 C ATOM 188 NZ LYS A 18 0.490 -9.980 -24.903 1.00 0.00 N ATOM 0 H LYS A 18 4.258 -5.704 -21.211 1.00 0.00 H new ATOM 0 HA LYS A 18 3.624 -4.018 -23.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.937 -5.193 -24.549 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.388 -6.174 -24.606 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.562 -7.685 -22.917 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.275 -6.590 -22.454 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.065 -6.972 -24.505 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.444 -7.738 -25.268 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.076 -9.307 -22.985 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.569 -8.895 -23.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.163 -10.899 -24.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.128 -9.673 -25.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.465 -10.072 -25.252 1.00 0.00 H new ATOM 202 N ARG A 19 2.069 -5.251 -20.801 1.00 0.00 N ATOM 203 CA ARG A 19 1.159 -4.918 -19.719 1.00 0.00 C ATOM 204 C ARG A 19 1.935 -4.715 -18.416 1.00 0.00 C ATOM 205 O ARG A 19 2.296 -5.682 -17.747 1.00 0.00 O ATOM 206 CB ARG A 19 0.117 -6.020 -19.517 1.00 0.00 C ATOM 207 CG ARG A 19 -1.137 -5.748 -20.351 1.00 0.00 C ATOM 208 CD ARG A 19 -2.184 -6.844 -20.140 1.00 0.00 C ATOM 209 NE ARG A 19 -3.046 -6.504 -18.985 1.00 0.00 N ATOM 210 CZ ARG A 19 -4.083 -7.248 -18.578 1.00 0.00 C ATOM 211 NH1 ARG A 19 -4.395 -8.377 -19.228 1.00 0.00 N ATOM 212 NH2 ARG A 19 -4.809 -6.862 -17.519 1.00 0.00 N ATOM 0 H ARG A 19 2.519 -6.162 -20.714 1.00 0.00 H new ATOM 0 HA ARG A 19 0.647 -3.994 -19.989 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.543 -6.984 -19.797 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.150 -6.084 -18.462 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.558 -4.781 -20.077 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.871 -5.692 -21.407 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.792 -6.956 -21.038 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.691 -7.801 -19.968 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.837 -5.650 -18.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.843 -8.671 -20.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.185 -8.943 -18.917 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.572 -6.002 -17.024 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.599 -7.428 -17.208 1.00 0.00 H new ATOM 226 N PHE A 20 2.167 -3.451 -18.095 1.00 0.00 N ATOM 227 CA PHE A 20 2.894 -3.108 -16.884 1.00 0.00 C ATOM 228 C PHE A 20 1.947 -3.010 -15.686 1.00 0.00 C ATOM 229 O PHE A 20 0.879 -2.407 -15.782 1.00 0.00 O ATOM 230 CB PHE A 20 3.540 -1.742 -17.121 1.00 0.00 C ATOM 231 CG PHE A 20 2.568 -0.565 -17.007 1.00 0.00 C ATOM 232 CD1 PHE A 20 2.369 0.039 -15.805 1.00 0.00 C ATOM 233 CD2 PHE A 20 1.902 -0.124 -18.108 1.00 0.00 C ATOM 234 CE1 PHE A 20 1.467 1.131 -15.700 1.00 0.00 C ATOM 235 CE2 PHE A 20 1.000 0.967 -18.003 1.00 0.00 C ATOM 236 CZ PHE A 20 0.802 1.572 -16.801 1.00 0.00 C ATOM 0 H PHE A 20 1.865 -2.652 -18.652 1.00 0.00 H new ATOM 0 HA PHE A 20 3.636 -3.876 -16.665 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.348 -1.604 -16.402 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.991 -1.732 -18.113 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.897 -0.312 -14.930 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.060 -0.604 -19.062 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.309 1.611 -14.746 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.471 1.317 -18.877 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.117 2.403 -16.721 1.00 0.00 H new ATOM 246 N ARG A 21 2.373 -3.612 -14.585 1.00 0.00 N ATOM 247 CA ARG A 21 1.576 -3.600 -13.370 1.00 0.00 C ATOM 248 C ARG A 21 2.393 -4.141 -12.194 1.00 0.00 C ATOM 249 O ARG A 21 2.601 -5.348 -12.083 1.00 0.00 O ATOM 250 CB ARG A 21 0.310 -4.442 -13.533 1.00 0.00 C ATOM 251 CG ARG A 21 -0.873 -3.801 -12.805 1.00 0.00 C ATOM 252 CD ARG A 21 -1.926 -4.849 -12.439 1.00 0.00 C ATOM 253 NE ARG A 21 -2.170 -4.834 -10.979 1.00 0.00 N ATOM 254 CZ ARG A 21 -1.410 -5.478 -10.083 1.00 0.00 C ATOM 255 NH1 ARG A 21 -0.353 -6.193 -10.492 1.00 0.00 N ATOM 256 NH2 ARG A 21 -1.706 -5.407 -8.778 1.00 0.00 N ATOM 0 H ARG A 21 3.259 -4.111 -14.509 1.00 0.00 H new ATOM 0 HA ARG A 21 1.288 -2.567 -13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.075 -4.550 -14.592 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.483 -5.444 -13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.522 -3.303 -11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.322 -3.035 -13.437 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.854 -4.646 -12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.590 -5.838 -12.750 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.967 -4.300 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.127 -6.247 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.226 -6.683 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.510 -4.863 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.127 -5.897 -8.096 1.00 0.00 H new ATOM 270 N THR A 22 2.833 -3.222 -11.348 1.00 0.00 N ATOM 271 CA THR A 22 3.622 -3.592 -10.185 1.00 0.00 C ATOM 272 C THR A 22 2.724 -4.189 -9.099 1.00 0.00 C ATOM 273 O THR A 22 1.570 -3.790 -8.954 1.00 0.00 O ATOM 274 CB THR A 22 4.393 -2.354 -9.723 1.00 0.00 C ATOM 275 OG1 THR A 22 3.375 -1.436 -9.333 1.00 0.00 O ATOM 276 CG2 THR A 22 5.110 -1.647 -10.876 1.00 0.00 C ATOM 0 H THR A 22 2.658 -2.222 -11.444 1.00 0.00 H new ATOM 0 HA THR A 22 4.345 -4.370 -10.429 1.00 0.00 H new ATOM 0 HB THR A 22 5.121 -2.642 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.452 -1.251 -8.374 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.642 -0.775 -10.494 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.821 -2.332 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.379 -1.329 -11.619 1.00 0.00 H new ATOM 284 N LYS A 23 3.289 -5.135 -8.364 1.00 0.00 N ATOM 285 CA LYS A 23 2.554 -5.791 -7.295 1.00 0.00 C ATOM 286 C LYS A 23 3.342 -5.667 -5.989 1.00 0.00 C ATOM 287 O LYS A 23 4.442 -6.203 -5.871 1.00 0.00 O ATOM 288 CB LYS A 23 2.224 -7.235 -7.679 1.00 0.00 C ATOM 289 CG LYS A 23 1.524 -7.962 -6.530 1.00 0.00 C ATOM 290 CD LYS A 23 0.519 -8.986 -7.060 1.00 0.00 C ATOM 291 CE LYS A 23 0.753 -10.361 -6.430 1.00 0.00 C ATOM 292 NZ LYS A 23 0.595 -11.429 -7.442 1.00 0.00 N ATOM 0 H LYS A 23 4.247 -5.463 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 23 1.594 -5.300 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.585 -7.243 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.140 -7.763 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.265 -8.463 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.011 -7.239 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.495 -8.651 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.606 -9.059 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.754 -10.405 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.048 -10.518 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.757 -12.355 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.368 -11.397 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.285 -11.287 -8.207 1.00 0.00 H new ATOM 306 N PHE A 24 2.747 -4.956 -5.042 1.00 0.00 N ATOM 307 CA PHE A 24 3.379 -4.755 -3.750 1.00 0.00 C ATOM 308 C PHE A 24 2.582 -5.438 -2.637 1.00 0.00 C ATOM 309 O PHE A 24 1.424 -5.804 -2.832 1.00 0.00 O ATOM 310 CB PHE A 24 3.401 -3.247 -3.492 1.00 0.00 C ATOM 311 CG PHE A 24 3.874 -2.418 -4.688 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.075 -2.686 -5.269 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.095 -1.414 -5.171 1.00 0.00 C ATOM 314 CE1 PHE A 24 5.514 -1.917 -6.379 1.00 0.00 C ATOM 315 CE2 PHE A 24 3.534 -0.645 -6.281 1.00 0.00 C ATOM 316 CZ PHE A 24 4.735 -0.913 -6.861 1.00 0.00 C ATOM 0 H PHE A 24 1.834 -4.512 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 24 4.382 -5.182 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.399 -2.922 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.052 -3.044 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.694 -3.484 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.142 -1.201 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.467 -2.130 -6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.915 0.152 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.070 -0.328 -7.705 1.00 0.00 H new ATOM 326 N THR A 25 3.234 -5.591 -1.494 1.00 0.00 N ATOM 327 CA THR A 25 2.601 -6.224 -0.349 1.00 0.00 C ATOM 328 C THR A 25 1.899 -5.178 0.519 1.00 0.00 C ATOM 329 O THR A 25 2.308 -4.018 0.552 1.00 0.00 O ATOM 330 CB THR A 25 3.670 -7.019 0.403 1.00 0.00 C ATOM 331 OG1 THR A 25 2.959 -7.627 1.478 1.00 0.00 O ATOM 332 CG2 THR A 25 4.693 -6.116 1.095 1.00 0.00 C ATOM 0 H THR A 25 4.195 -5.287 -1.336 1.00 0.00 H new ATOM 0 HA THR A 25 1.820 -6.917 -0.662 1.00 0.00 H new ATOM 0 HB THR A 25 4.184 -7.683 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.577 -8.164 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.429 -6.731 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.196 -5.499 0.351 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.184 -5.474 1.814 1.00 0.00 H new ATOM 340 N ALA A 26 0.854 -5.625 1.200 1.00 0.00 N ATOM 341 CA ALA A 26 0.092 -4.742 2.066 1.00 0.00 C ATOM 342 C ALA A 26 1.050 -3.800 2.798 1.00 0.00 C ATOM 343 O ALA A 26 0.950 -2.581 2.665 1.00 0.00 O ATOM 344 CB ALA A 26 -0.754 -5.577 3.029 1.00 0.00 C ATOM 0 H ALA A 26 0.517 -6.587 1.169 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.591 -4.127 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.326 -4.915 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.438 -6.207 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.102 -6.206 3.635 1.00 0.00 H new ATOM 350 N GLU A 27 1.957 -4.401 3.554 1.00 0.00 N ATOM 351 CA GLU A 27 2.932 -3.631 4.307 1.00 0.00 C ATOM 352 C GLU A 27 3.409 -2.431 3.486 1.00 0.00 C ATOM 353 O GLU A 27 3.306 -1.289 3.932 1.00 0.00 O ATOM 354 CB GLU A 27 4.112 -4.507 4.733 1.00 0.00 C ATOM 355 CG GLU A 27 4.267 -4.516 6.255 1.00 0.00 C ATOM 356 CD GLU A 27 4.981 -5.784 6.726 1.00 0.00 C ATOM 357 OE1 GLU A 27 4.265 -6.778 6.979 1.00 0.00 O ATOM 358 OE2 GLU A 27 6.226 -5.732 6.823 1.00 0.00 O ATOM 0 H GLU A 27 2.037 -5.412 3.661 1.00 0.00 H new ATOM 0 HA GLU A 27 2.452 -3.260 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.962 -5.525 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.028 -4.138 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.830 -3.638 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.285 -4.451 6.724 1.00 0.00 H new ATOM 365 N GLN A 28 3.922 -2.731 2.302 1.00 0.00 N ATOM 366 CA GLN A 28 4.415 -1.690 1.415 1.00 0.00 C ATOM 367 C GLN A 28 3.339 -0.625 1.197 1.00 0.00 C ATOM 368 O GLN A 28 3.561 0.553 1.475 1.00 0.00 O ATOM 369 CB GLN A 28 4.880 -2.281 0.082 1.00 0.00 C ATOM 370 CG GLN A 28 6.376 -2.042 -0.132 1.00 0.00 C ATOM 371 CD GLN A 28 6.880 -2.790 -1.367 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.132 -3.439 -2.080 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.186 -2.663 -1.581 1.00 0.00 N ATOM 0 H GLN A 28 4.007 -3.679 1.936 1.00 0.00 H new ATOM 0 HA GLN A 28 5.277 -1.217 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.673 -3.351 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.316 -1.832 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.564 -0.975 -0.247 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.930 -2.370 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.755 -2.105 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.619 -3.124 -2.381 1.00 0.00 H new ATOM 382 N LYS A 29 2.196 -1.076 0.700 1.00 0.00 N ATOM 383 CA LYS A 29 1.085 -0.176 0.442 1.00 0.00 C ATOM 384 C LYS A 29 0.825 0.676 1.685 1.00 0.00 C ATOM 385 O LYS A 29 0.689 1.895 1.589 1.00 0.00 O ATOM 386 CB LYS A 29 -0.140 -0.960 -0.034 1.00 0.00 C ATOM 387 CG LYS A 29 0.126 -1.625 -1.386 1.00 0.00 C ATOM 388 CD LYS A 29 0.199 -3.147 -1.244 1.00 0.00 C ATOM 389 CE LYS A 29 -1.053 -3.811 -1.821 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.895 -4.360 -0.735 1.00 0.00 N ATOM 0 H LYS A 29 2.016 -2.053 0.469 1.00 0.00 H new ATOM 0 HA LYS A 29 1.331 0.510 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.400 -1.719 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.996 -0.290 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.665 -1.359 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.061 -1.250 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.084 -3.522 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.305 -3.413 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.623 -3.084 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.766 -4.609 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.780 -4.732 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.384 -5.127 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.114 -3.608 -0.051 1.00 0.00 H new ATOM 404 N GLU A 30 0.763 0.002 2.824 1.00 0.00 N ATOM 405 CA GLU A 30 0.522 0.682 4.085 1.00 0.00 C ATOM 406 C GLU A 30 1.631 1.699 4.360 1.00 0.00 C ATOM 407 O GLU A 30 1.354 2.866 4.636 1.00 0.00 O ATOM 408 CB GLU A 30 0.400 -0.320 5.234 1.00 0.00 C ATOM 409 CG GLU A 30 -0.826 -1.218 5.051 1.00 0.00 C ATOM 410 CD GLU A 30 -1.215 -1.891 6.369 1.00 0.00 C ATOM 411 OE1 GLU A 30 -1.240 -1.169 7.389 1.00 0.00 O ATOM 412 OE2 GLU A 30 -1.478 -3.112 6.326 1.00 0.00 O ATOM 0 H GLU A 30 0.876 -1.009 2.900 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.425 1.217 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.300 -0.933 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.326 0.215 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.663 -0.626 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.615 -1.978 4.299 1.00 0.00 H new ATOM 419 N LYS A 31 2.864 1.220 4.276 1.00 0.00 N ATOM 420 CA LYS A 31 4.016 2.073 4.512 1.00 0.00 C ATOM 421 C LYS A 31 3.921 3.311 3.618 1.00 0.00 C ATOM 422 O LYS A 31 4.047 4.437 4.095 1.00 0.00 O ATOM 423 CB LYS A 31 5.313 1.283 4.333 1.00 0.00 C ATOM 424 CG LYS A 31 5.627 0.454 5.581 1.00 0.00 C ATOM 425 CD LYS A 31 5.535 -1.043 5.282 1.00 0.00 C ATOM 426 CE LYS A 31 6.739 -1.792 5.856 1.00 0.00 C ATOM 427 NZ LYS A 31 7.389 -2.610 4.807 1.00 0.00 N ATOM 0 H LYS A 31 3.090 0.252 4.048 1.00 0.00 H new ATOM 0 HA LYS A 31 4.024 2.425 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.226 0.626 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.136 1.969 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.627 0.696 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.930 0.713 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.615 -1.446 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.485 -1.200 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.455 -1.080 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.418 -2.432 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.508 -3.584 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.796 -2.614 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.321 -2.207 4.580 1.00 0.00 H new ATOM 441 N MET A 32 3.700 3.059 2.336 1.00 0.00 N ATOM 442 CA MET A 32 3.587 4.139 1.370 1.00 0.00 C ATOM 443 C MET A 32 2.434 5.078 1.730 1.00 0.00 C ATOM 444 O MET A 32 2.615 6.293 1.794 1.00 0.00 O ATOM 445 CB MET A 32 3.354 3.554 -0.025 1.00 0.00 C ATOM 446 CG MET A 32 4.606 2.840 -0.536 1.00 0.00 C ATOM 447 SD MET A 32 4.144 1.383 -1.459 1.00 0.00 S ATOM 448 CE MET A 32 4.312 2.005 -3.124 1.00 0.00 C ATOM 0 H MET A 32 3.596 2.123 1.944 1.00 0.00 H new ATOM 0 HA MET A 32 4.514 4.712 1.383 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.519 2.854 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.078 4.351 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.186 3.513 -1.168 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.244 2.562 0.303 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.441 1.714 -3.711 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.387 3.092 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.211 1.589 -3.579 1.00 0.00 H new ATOM 458 N LEU A 33 1.273 4.479 1.955 1.00 0.00 N ATOM 459 CA LEU A 33 0.091 5.247 2.306 1.00 0.00 C ATOM 460 C LEU A 33 0.470 6.318 3.330 1.00 0.00 C ATOM 461 O LEU A 33 0.069 7.474 3.201 1.00 0.00 O ATOM 462 CB LEU A 33 -1.031 4.318 2.775 1.00 0.00 C ATOM 463 CG LEU A 33 -2.095 3.972 1.731 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.113 5.105 1.589 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.451 3.609 0.391 1.00 0.00 C ATOM 0 H LEU A 33 1.126 3.471 1.901 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.300 5.766 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.583 3.390 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.525 4.780 3.629 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.638 3.092 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.858 4.833 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.605 5.274 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.602 6.016 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.229 3.367 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.867 4.454 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.798 2.746 0.523 1.00 0.00 H new ATOM 477 N ALA A 34 1.237 5.896 4.325 1.00 0.00 N ATOM 478 CA ALA A 34 1.674 6.806 5.370 1.00 0.00 C ATOM 479 C ALA A 34 2.850 7.639 4.857 1.00 0.00 C ATOM 480 O ALA A 34 2.781 8.867 4.832 1.00 0.00 O ATOM 481 CB ALA A 34 2.030 6.007 6.626 1.00 0.00 C ATOM 0 H ALA A 34 1.567 4.936 4.429 1.00 0.00 H new ATOM 0 HA ALA A 34 0.874 7.496 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.358 6.689 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.154 5.456 6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.832 5.306 6.396 1.00 0.00 H new ATOM 487 N PHE A 35 3.902 6.938 4.459 1.00 0.00 N ATOM 488 CA PHE A 35 5.091 7.598 3.948 1.00 0.00 C ATOM 489 C PHE A 35 4.720 8.808 3.088 1.00 0.00 C ATOM 490 O PHE A 35 5.222 9.909 3.309 1.00 0.00 O ATOM 491 CB PHE A 35 5.830 6.578 3.079 1.00 0.00 C ATOM 492 CG PHE A 35 7.273 6.968 2.753 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.049 7.556 3.702 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.779 6.726 1.514 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.389 7.918 3.399 1.00 0.00 C ATOM 496 CE2 PHE A 35 9.118 7.088 1.211 1.00 0.00 C ATOM 497 CZ PHE A 35 9.895 7.676 2.160 1.00 0.00 C ATOM 0 H PHE A 35 3.955 5.920 4.480 1.00 0.00 H new ATOM 0 HA PHE A 35 5.706 7.949 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.831 5.615 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.281 6.445 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.647 7.748 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.162 6.258 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.006 8.385 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.520 6.896 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.914 7.951 1.930 1.00 0.00 H new ATOM 507 N ALA A 36 3.842 8.563 2.126 1.00 0.00 N ATOM 508 CA ALA A 36 3.398 9.619 1.232 1.00 0.00 C ATOM 509 C ALA A 36 2.674 10.696 2.042 1.00 0.00 C ATOM 510 O ALA A 36 2.909 11.888 1.848 1.00 0.00 O ATOM 511 CB ALA A 36 2.514 9.021 0.136 1.00 0.00 C ATOM 0 H ALA A 36 3.426 7.649 1.946 1.00 0.00 H new ATOM 0 HA ALA A 36 4.250 10.091 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.181 9.813 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.084 8.283 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.647 8.541 0.590 1.00 0.00 H new ATOM 517 N GLU A 37 1.807 10.238 2.934 1.00 0.00 N ATOM 518 CA GLU A 37 1.048 11.148 3.775 1.00 0.00 C ATOM 519 C GLU A 37 1.991 12.088 4.528 1.00 0.00 C ATOM 520 O GLU A 37 1.643 13.237 4.798 1.00 0.00 O ATOM 521 CB GLU A 37 0.151 10.377 4.746 1.00 0.00 C ATOM 522 CG GLU A 37 -1.312 10.429 4.300 1.00 0.00 C ATOM 523 CD GLU A 37 -1.943 11.779 4.647 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.475 12.388 5.633 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.879 12.172 3.918 1.00 0.00 O ATOM 0 H GLU A 37 1.614 9.249 3.092 1.00 0.00 H new ATOM 0 HA GLU A 37 0.403 11.750 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.480 9.340 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.245 10.799 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.374 10.260 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.872 9.627 4.782 1.00 0.00 H new ATOM 532 N ARG A 38 3.166 11.565 4.846 1.00 0.00 N ATOM 533 CA ARG A 38 4.162 12.343 5.563 1.00 0.00 C ATOM 534 C ARG A 38 4.786 13.389 4.636 1.00 0.00 C ATOM 535 O ARG A 38 4.860 14.566 4.984 1.00 0.00 O ATOM 536 CB ARG A 38 5.266 11.444 6.122 1.00 0.00 C ATOM 537 CG ARG A 38 4.709 10.075 6.519 1.00 0.00 C ATOM 538 CD ARG A 38 5.513 9.470 7.672 1.00 0.00 C ATOM 539 NE ARG A 38 6.654 8.692 7.139 1.00 0.00 N ATOM 540 CZ ARG A 38 7.298 7.737 7.824 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.916 7.436 9.073 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.323 7.083 7.260 1.00 0.00 N ATOM 0 H ARG A 38 3.451 10.612 4.620 1.00 0.00 H new ATOM 0 HA ARG A 38 3.660 12.840 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.051 11.319 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.723 11.920 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.664 10.175 6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.736 9.404 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.876 10.261 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.872 8.826 8.274 1.00 0.00 H new ATOM 0 HE ARG A 38 6.970 8.896 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.136 7.934 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.406 6.709 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.613 7.312 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.813 6.356 7.781 1.00 0.00 H new ATOM 556 N LEU A 39 5.220 12.921 3.475 1.00 0.00 N ATOM 557 CA LEU A 39 5.835 13.800 2.496 1.00 0.00 C ATOM 558 C LEU A 39 4.754 14.664 1.842 1.00 0.00 C ATOM 559 O LEU A 39 5.064 15.628 1.144 1.00 0.00 O ATOM 560 CB LEU A 39 6.665 12.992 1.496 1.00 0.00 C ATOM 561 CG LEU A 39 7.399 11.775 2.063 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.075 10.516 1.257 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.905 12.032 2.145 1.00 0.00 C ATOM 0 H LEU A 39 5.158 11.943 3.190 1.00 0.00 H new ATOM 0 HA LEU A 39 6.536 14.479 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.006 12.654 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.401 13.657 1.043 1.00 0.00 H new ATOM 0 HG LEU A 39 7.046 11.606 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.609 9.665 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.002 10.326 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.382 10.658 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.403 11.151 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.293 12.241 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.093 12.887 2.794 1.00 0.00 H new ATOM 575 N GLY A 40 3.509 14.286 2.091 1.00 0.00 N ATOM 576 CA GLY A 40 2.381 15.013 1.535 1.00 0.00 C ATOM 577 C GLY A 40 2.085 14.557 0.105 1.00 0.00 C ATOM 578 O GLY A 40 1.554 15.322 -0.698 1.00 0.00 O ATOM 0 H GLY A 40 3.257 13.485 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.501 14.858 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.593 16.082 1.543 1.00 0.00 H new ATOM 582 N TRP A 41 2.442 13.311 -0.170 1.00 0.00 N ATOM 583 CA TRP A 41 2.221 12.743 -1.489 1.00 0.00 C ATOM 584 C TRP A 41 3.120 13.486 -2.480 1.00 0.00 C ATOM 585 O TRP A 41 2.775 13.624 -3.653 1.00 0.00 O ATOM 586 CB TRP A 41 0.740 12.797 -1.869 1.00 0.00 C ATOM 587 CG TRP A 41 -0.156 11.906 -1.005 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.928 12.268 0.029 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.343 10.482 -1.144 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.596 11.186 0.564 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.229 10.065 -0.172 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.217 9.576 -2.062 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.633 8.733 -0.023 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.196 8.249 -1.900 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.087 7.813 -0.926 1.00 0.00 C ATOM 0 H TRP A 41 2.883 12.679 0.498 1.00 0.00 H new ATOM 0 HA TRP A 41 2.486 11.686 -1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.393 13.827 -1.792 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.632 12.501 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.016 13.280 0.397 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.241 11.205 1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.911 9.880 -2.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.328 8.432 0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.206 7.512 -2.579 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.357 6.769 -0.866 1.00 0.00 H new ATOM 606 N ARG A 42 4.254 13.945 -1.972 1.00 0.00 N ATOM 607 CA ARG A 42 5.204 14.670 -2.798 1.00 0.00 C ATOM 608 C ARG A 42 6.636 14.366 -2.352 1.00 0.00 C ATOM 609 O ARG A 42 6.887 14.145 -1.168 1.00 0.00 O ATOM 610 CB ARG A 42 4.962 16.179 -2.721 1.00 0.00 C ATOM 611 CG ARG A 42 5.026 16.671 -1.273 1.00 0.00 C ATOM 612 CD ARG A 42 5.082 18.199 -1.215 1.00 0.00 C ATOM 613 NE ARG A 42 3.784 18.735 -0.748 1.00 0.00 N ATOM 614 CZ ARG A 42 3.631 19.935 -0.171 1.00 0.00 C ATOM 615 NH1 ARG A 42 4.693 20.731 0.011 1.00 0.00 N ATOM 616 NH2 ARG A 42 2.415 20.339 0.222 1.00 0.00 N ATOM 0 H ARG A 42 4.536 13.829 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 42 5.064 14.344 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.708 16.702 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.987 16.417 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.154 16.314 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.904 16.252 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.879 18.517 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.317 18.600 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 42 2.954 18.155 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.618 20.424 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.577 21.644 0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.606 19.733 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.298 21.252 0.661 1.00 0.00 H new ATOM 630 N ILE A 43 7.537 14.366 -3.323 1.00 0.00 N ATOM 631 CA ILE A 43 8.937 14.094 -3.044 1.00 0.00 C ATOM 632 C ILE A 43 9.787 15.272 -3.524 1.00 0.00 C ATOM 633 O ILE A 43 9.772 15.611 -4.706 1.00 0.00 O ATOM 634 CB ILE A 43 9.352 12.750 -3.648 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.612 11.594 -2.971 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.870 12.570 -3.594 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.712 10.316 -3.807 1.00 0.00 C ATOM 0 H ILE A 43 7.325 14.550 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 43 9.100 14.000 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 43 9.065 12.744 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.032 11.419 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.564 11.860 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.138 11.607 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.351 13.370 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.204 12.605 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.178 9.510 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.270 10.488 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.760 10.039 -3.925 1.00 0.00 H new ATOM 649 N GLN A 44 10.507 15.863 -2.582 1.00 0.00 N ATOM 650 CA GLN A 44 11.362 16.996 -2.894 1.00 0.00 C ATOM 651 C GLN A 44 12.819 16.544 -3.016 1.00 0.00 C ATOM 652 O GLN A 44 13.090 15.412 -3.413 1.00 0.00 O ATOM 653 CB GLN A 44 11.216 18.099 -1.844 1.00 0.00 C ATOM 654 CG GLN A 44 9.771 18.198 -1.351 1.00 0.00 C ATOM 655 CD GLN A 44 9.445 19.621 -0.892 1.00 0.00 C ATOM 656 OE1 GLN A 44 10.301 20.371 -0.453 1.00 0.00 O ATOM 657 NE2 GLN A 44 8.162 19.950 -1.018 1.00 0.00 N ATOM 0 H GLN A 44 10.516 15.579 -1.602 1.00 0.00 H new ATOM 0 HA GLN A 44 11.049 17.409 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.878 17.895 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.525 19.054 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.090 17.904 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.615 17.502 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.497 19.274 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.844 20.878 -0.739 1.00 0.00 H new ATOM 666 N LYS A 45 13.718 17.453 -2.667 1.00 0.00 N ATOM 667 CA LYS A 45 15.140 17.162 -2.732 1.00 0.00 C ATOM 668 C LYS A 45 15.604 16.606 -1.385 1.00 0.00 C ATOM 669 O LYS A 45 16.547 15.818 -1.327 1.00 0.00 O ATOM 670 CB LYS A 45 15.919 18.397 -3.189 1.00 0.00 C ATOM 671 CG LYS A 45 17.338 18.022 -3.621 1.00 0.00 C ATOM 672 CD LYS A 45 18.331 19.127 -3.259 1.00 0.00 C ATOM 673 CE LYS A 45 18.608 19.145 -1.754 1.00 0.00 C ATOM 674 NZ LYS A 45 19.834 18.376 -1.443 1.00 0.00 N ATOM 0 H LYS A 45 13.489 18.391 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 45 15.338 16.394 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.397 18.874 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.962 19.125 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.634 17.090 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.360 17.846 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.264 18.975 -3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.935 20.093 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.720 20.174 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.760 18.721 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.007 18.399 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.713 17.390 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.644 18.798 -1.940 1.00 0.00 H new ATOM 688 N HIS A 46 14.921 17.038 -0.335 1.00 0.00 N ATOM 689 CA HIS A 46 15.252 16.593 1.008 1.00 0.00 C ATOM 690 C HIS A 46 14.650 15.208 1.253 1.00 0.00 C ATOM 691 O HIS A 46 15.163 14.438 2.064 1.00 0.00 O ATOM 692 CB HIS A 46 14.808 17.624 2.047 1.00 0.00 C ATOM 693 CG HIS A 46 13.310 17.756 2.180 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.443 17.209 3.080 1.00 0.00 N flip ATOM 695 CD2 HIS A 46 12.545 18.525 1.320 1.00 0.00 C flip ATOM 696 CE1 HIS A 46 11.217 17.622 2.787 1.00 0.00 C flip ATOM 697 NE2 HIS A 46 11.278 18.437 1.695 1.00 0.00 N flip ATOM 0 H HIS A 46 14.140 17.692 -0.387 1.00 0.00 H new ATOM 0 HA HIS A 46 16.334 16.504 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.226 17.351 3.016 1.00 0.00 H new ATOM 0 HB3 HIS A 46 15.226 18.595 1.782 1.00 0.00 H new ATOM 0 HD1 HIS A 46 12.695 16.587 3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.918 19.099 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.319 17.357 3.324 1.00 0.00 H new ATOM 705 N ASP A 47 13.570 14.932 0.536 1.00 0.00 N ATOM 706 CA ASP A 47 12.893 13.653 0.665 1.00 0.00 C ATOM 707 C ASP A 47 13.676 12.586 -0.102 1.00 0.00 C ATOM 708 O ASP A 47 13.478 11.391 0.112 1.00 0.00 O ATOM 709 CB ASP A 47 11.481 13.716 0.078 1.00 0.00 C ATOM 710 CG ASP A 47 10.600 14.836 0.634 1.00 0.00 C ATOM 711 OD1 ASP A 47 11.056 15.998 0.577 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.489 14.505 1.103 1.00 0.00 O ATOM 0 H ASP A 47 13.147 15.572 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 47 12.833 13.409 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.558 13.837 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.986 12.762 0.258 1.00 0.00 H new ATOM 717 N ASP A 48 14.550 13.056 -0.981 1.00 0.00 N ATOM 718 CA ASP A 48 15.364 12.157 -1.781 1.00 0.00 C ATOM 719 C ASP A 48 15.974 11.086 -0.875 1.00 0.00 C ATOM 720 O ASP A 48 16.012 9.910 -1.236 1.00 0.00 O ATOM 721 CB ASP A 48 16.510 12.910 -2.460 1.00 0.00 C ATOM 722 CG ASP A 48 17.085 12.227 -3.703 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.359 11.011 -3.606 1.00 0.00 O ATOM 724 OD2 ASP A 48 17.239 12.936 -4.720 1.00 0.00 O ATOM 0 H ASP A 48 14.712 14.048 -1.156 1.00 0.00 H new ATOM 0 HA ASP A 48 14.725 11.710 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.157 13.903 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.313 13.049 -1.736 1.00 0.00 H new ATOM 729 N VAL A 49 16.437 11.530 0.285 1.00 0.00 N ATOM 730 CA VAL A 49 17.043 10.623 1.245 1.00 0.00 C ATOM 731 C VAL A 49 15.959 9.730 1.851 1.00 0.00 C ATOM 732 O VAL A 49 15.958 8.518 1.639 1.00 0.00 O ATOM 733 CB VAL A 49 17.819 11.419 2.297 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.459 10.486 3.327 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.871 12.315 1.641 1.00 0.00 C ATOM 0 H VAL A 49 16.405 12.505 0.581 1.00 0.00 H new ATOM 0 HA VAL A 49 17.764 9.970 0.752 1.00 0.00 H new ATOM 0 HB VAL A 49 17.111 12.062 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 49 19.004 11.076 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.682 9.909 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.148 9.807 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.408 12.869 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.574 11.700 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.382 13.015 0.964 1.00 0.00 H new ATOM 745 N ALA A 50 15.062 10.362 2.594 1.00 0.00 N ATOM 746 CA ALA A 50 13.975 9.640 3.232 1.00 0.00 C ATOM 747 C ALA A 50 13.410 8.608 2.254 1.00 0.00 C ATOM 748 O ALA A 50 12.964 7.538 2.664 1.00 0.00 O ATOM 749 CB ALA A 50 12.913 10.632 3.710 1.00 0.00 C ATOM 0 H ALA A 50 15.066 11.367 2.768 1.00 0.00 H new ATOM 0 HA ALA A 50 14.336 9.101 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.098 10.090 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.357 11.324 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.526 11.190 2.857 1.00 0.00 H new ATOM 755 N VAL A 51 13.449 8.966 0.979 1.00 0.00 N ATOM 756 CA VAL A 51 12.946 8.085 -0.062 1.00 0.00 C ATOM 757 C VAL A 51 13.807 6.822 -0.114 1.00 0.00 C ATOM 758 O VAL A 51 13.285 5.709 -0.093 1.00 0.00 O ATOM 759 CB VAL A 51 12.894 8.829 -1.398 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.869 7.847 -2.571 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.695 9.778 -1.451 1.00 0.00 C ATOM 0 H VAL A 51 13.821 9.854 0.643 1.00 0.00 H new ATOM 0 HA VAL A 51 11.925 7.774 0.161 1.00 0.00 H new ATOM 0 HB VAL A 51 13.800 9.429 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.832 8.401 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.768 7.231 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.989 7.208 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.682 10.294 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.774 9.207 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.774 10.510 -0.647 1.00 0.00 H new ATOM 771 N GLU A 52 15.113 7.037 -0.181 1.00 0.00 N ATOM 772 CA GLU A 52 16.052 5.929 -0.236 1.00 0.00 C ATOM 773 C GLU A 52 15.953 5.085 1.036 1.00 0.00 C ATOM 774 O GLU A 52 15.942 3.857 0.971 1.00 0.00 O ATOM 775 CB GLU A 52 17.481 6.432 -0.451 1.00 0.00 C ATOM 776 CG GLU A 52 18.233 6.531 0.878 1.00 0.00 C ATOM 777 CD GLU A 52 19.642 7.091 0.670 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.893 7.596 -0.446 1.00 0.00 O ATOM 779 OE2 GLU A 52 20.435 7.002 1.632 1.00 0.00 O ATOM 0 H GLU A 52 15.543 7.962 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 52 15.792 5.299 -1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.011 5.757 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.458 7.409 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.681 7.172 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.294 5.546 1.340 1.00 0.00 H new ATOM 786 N GLN A 53 15.884 5.778 2.163 1.00 0.00 N ATOM 787 CA GLN A 53 15.786 5.108 3.449 1.00 0.00 C ATOM 788 C GLN A 53 14.537 4.225 3.494 1.00 0.00 C ATOM 789 O GLN A 53 14.533 3.182 4.145 1.00 0.00 O ATOM 790 CB GLN A 53 15.784 6.120 4.596 1.00 0.00 C ATOM 791 CG GLN A 53 17.192 6.312 5.161 1.00 0.00 C ATOM 792 CD GLN A 53 17.207 6.115 6.678 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.828 5.079 7.199 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.664 7.165 7.356 1.00 0.00 N ATOM 0 H GLN A 53 15.894 6.797 2.213 1.00 0.00 H new ATOM 0 HA GLN A 53 16.662 4.471 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.397 7.076 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.115 5.778 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.875 5.604 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.552 7.311 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.966 8.002 6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.713 7.133 8.374 1.00 0.00 H new ATOM 803 N PHE A 54 13.507 4.676 2.793 1.00 0.00 N ATOM 804 CA PHE A 54 12.255 3.940 2.744 1.00 0.00 C ATOM 805 C PHE A 54 12.384 2.696 1.862 1.00 0.00 C ATOM 806 O PHE A 54 11.873 1.632 2.206 1.00 0.00 O ATOM 807 CB PHE A 54 11.210 4.876 2.136 1.00 0.00 C ATOM 808 CG PHE A 54 9.795 4.293 2.105 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.994 4.395 3.200 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.339 3.673 0.984 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.681 3.855 3.171 1.00 0.00 C ATOM 812 CE2 PHE A 54 8.027 3.132 0.956 1.00 0.00 C ATOM 813 CZ PHE A 54 7.225 3.234 2.050 1.00 0.00 C ATOM 0 H PHE A 54 13.514 5.542 2.254 1.00 0.00 H new ATOM 0 HA PHE A 54 11.975 3.614 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.196 5.806 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.511 5.128 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.357 4.886 4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.975 3.592 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.044 3.937 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.665 2.639 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.227 2.822 2.029 1.00 0.00 H new ATOM 823 N CYS A 55 13.070 2.873 0.742 1.00 0.00 N ATOM 824 CA CYS A 55 13.272 1.778 -0.192 1.00 0.00 C ATOM 825 C CYS A 55 14.084 0.690 0.513 1.00 0.00 C ATOM 826 O CYS A 55 13.737 -0.489 0.448 1.00 0.00 O ATOM 827 CB CYS A 55 13.949 2.251 -1.480 1.00 0.00 C ATOM 828 SG CYS A 55 14.372 0.813 -2.529 1.00 0.00 S ATOM 0 H CYS A 55 13.493 3.758 0.460 1.00 0.00 H new ATOM 0 HA CYS A 55 12.307 1.372 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.286 2.925 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.851 2.815 -1.241 1.00 0.00 H new ATOM 0 HG CYS A 55 14.944 1.226 -3.621 1.00 0.00 H new ATOM 834 N ALA A 56 15.149 1.123 1.171 1.00 0.00 N ATOM 835 CA ALA A 56 16.013 0.200 1.887 1.00 0.00 C ATOM 836 C ALA A 56 15.157 -0.723 2.757 1.00 0.00 C ATOM 837 O ALA A 56 15.570 -1.835 3.083 1.00 0.00 O ATOM 838 CB ALA A 56 17.036 0.989 2.706 1.00 0.00 C ATOM 0 H ALA A 56 15.433 2.101 1.223 1.00 0.00 H new ATOM 0 HA ALA A 56 16.568 -0.426 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.684 0.297 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.638 1.606 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.516 1.627 3.420 1.00 0.00 H new ATOM 844 N GLU A 57 13.979 -0.228 3.108 1.00 0.00 N ATOM 845 CA GLU A 57 13.061 -0.994 3.934 1.00 0.00 C ATOM 846 C GLU A 57 12.047 -1.730 3.057 1.00 0.00 C ATOM 847 O GLU A 57 12.132 -2.946 2.890 1.00 0.00 O ATOM 848 CB GLU A 57 12.356 -0.093 4.950 1.00 0.00 C ATOM 849 CG GLU A 57 12.648 -0.548 6.381 1.00 0.00 C ATOM 850 CD GLU A 57 11.506 -0.161 7.323 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.342 -0.311 6.896 1.00 0.00 O ATOM 852 OE2 GLU A 57 11.825 0.277 8.450 1.00 0.00 O ATOM 0 H GLU A 57 13.639 0.694 2.835 1.00 0.00 H new ATOM 0 HA GLU A 57 13.635 -1.734 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.685 0.938 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.281 -0.109 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.790 -1.628 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.578 -0.097 6.727 1.00 0.00 H new ATOM 859 N THR A 58 11.110 -0.962 2.519 1.00 0.00 N ATOM 860 CA THR A 58 10.080 -1.527 1.663 1.00 0.00 C ATOM 861 C THR A 58 10.706 -2.138 0.408 1.00 0.00 C ATOM 862 O THR A 58 10.464 -3.302 0.093 1.00 0.00 O ATOM 863 CB THR A 58 9.061 -0.426 1.361 1.00 0.00 C ATOM 864 OG1 THR A 58 9.860 0.693 0.987 1.00 0.00 O ATOM 865 CG2 THR A 58 8.321 0.047 2.613 1.00 0.00 C ATOM 0 H THR A 58 11.043 0.046 2.659 1.00 0.00 H new ATOM 0 HA THR A 58 9.558 -2.346 2.158 1.00 0.00 H new ATOM 0 HB THR A 58 8.340 -0.790 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.409 1.521 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.610 0.828 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.786 -0.792 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.038 0.442 3.332 1.00 0.00 H new ATOM 873 N GLY A 59 11.497 -1.324 -0.276 1.00 0.00 N ATOM 874 CA GLY A 59 12.159 -1.770 -1.490 1.00 0.00 C ATOM 875 C GLY A 59 11.582 -1.066 -2.720 1.00 0.00 C ATOM 876 O GLY A 59 12.005 -1.326 -3.845 1.00 0.00 O ATOM 0 H GLY A 59 11.694 -0.359 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.228 -1.570 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.043 -2.849 -1.596 1.00 0.00 H new ATOM 880 N VAL A 60 10.624 -0.187 -2.463 1.00 0.00 N ATOM 881 CA VAL A 60 9.984 0.556 -3.535 1.00 0.00 C ATOM 882 C VAL A 60 10.963 1.595 -4.085 1.00 0.00 C ATOM 883 O VAL A 60 11.640 2.281 -3.321 1.00 0.00 O ATOM 884 CB VAL A 60 8.676 1.174 -3.035 1.00 0.00 C ATOM 885 CG1 VAL A 60 7.993 1.981 -4.141 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.738 0.099 -2.483 1.00 0.00 C ATOM 0 H VAL A 60 10.276 0.027 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 60 9.721 -0.110 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 60 8.918 1.858 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.066 2.409 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.655 2.782 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.770 1.327 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.816 0.565 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.507 -0.620 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.222 -0.414 -1.652 1.00 0.00 H new ATOM 896 N ARG A 61 11.008 1.678 -5.407 1.00 0.00 N ATOM 897 CA ARG A 61 11.893 2.621 -6.068 1.00 0.00 C ATOM 898 C ARG A 61 11.299 4.031 -6.019 1.00 0.00 C ATOM 899 O ARG A 61 10.090 4.193 -5.862 1.00 0.00 O ATOM 900 CB ARG A 61 12.130 2.225 -7.527 1.00 0.00 C ATOM 901 CG ARG A 61 12.751 0.830 -7.622 1.00 0.00 C ATOM 902 CD ARG A 61 11.710 -0.254 -7.337 1.00 0.00 C ATOM 903 NE ARG A 61 12.063 -1.497 -8.060 1.00 0.00 N ATOM 904 CZ ARG A 61 11.257 -2.563 -8.157 1.00 0.00 C ATOM 905 NH1 ARG A 61 10.049 -2.546 -7.578 1.00 0.00 N ATOM 906 NH2 ARG A 61 11.660 -3.648 -8.833 1.00 0.00 N ATOM 0 H ARG A 61 10.445 1.107 -6.038 1.00 0.00 H new ATOM 0 HA ARG A 61 12.847 2.606 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.186 2.244 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.787 2.953 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.172 0.682 -8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.574 0.745 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.659 -0.448 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.722 0.088 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 61 12.976 -1.545 -8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.742 -1.721 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.436 -3.358 -7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.580 -3.662 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.047 -4.460 -8.907 1.00 0.00 H new ATOM 920 N ARG A 62 12.177 5.013 -6.157 1.00 0.00 N ATOM 921 CA ARG A 62 11.755 6.403 -6.130 1.00 0.00 C ATOM 922 C ARG A 62 10.762 6.678 -7.262 1.00 0.00 C ATOM 923 O ARG A 62 9.803 7.426 -7.083 1.00 0.00 O ATOM 924 CB ARG A 62 12.952 7.345 -6.271 1.00 0.00 C ATOM 925 CG ARG A 62 12.494 8.802 -6.373 1.00 0.00 C ATOM 926 CD ARG A 62 13.635 9.703 -6.853 1.00 0.00 C ATOM 927 NE ARG A 62 13.295 10.292 -8.167 1.00 0.00 N ATOM 928 CZ ARG A 62 14.132 11.048 -8.890 1.00 0.00 C ATOM 929 NH1 ARG A 62 15.363 11.312 -8.431 1.00 0.00 N ATOM 930 NH2 ARG A 62 13.738 11.541 -10.073 1.00 0.00 N ATOM 0 H ARG A 62 13.179 4.874 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 62 11.275 6.585 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.615 7.228 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.527 7.078 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.653 8.875 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.140 9.145 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.815 10.495 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.557 9.126 -6.931 1.00 0.00 H new ATOM 0 HE ARG A 62 12.365 10.111 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.663 10.937 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.000 11.888 -8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.801 11.340 -10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.375 12.117 -10.623 1.00 0.00 H new ATOM 944 N GLN A 63 11.028 6.058 -8.402 1.00 0.00 N ATOM 945 CA GLN A 63 10.170 6.226 -9.563 1.00 0.00 C ATOM 946 C GLN A 63 8.838 5.505 -9.347 1.00 0.00 C ATOM 947 O GLN A 63 7.777 6.053 -9.642 1.00 0.00 O ATOM 948 CB GLN A 63 10.863 5.729 -10.834 1.00 0.00 C ATOM 949 CG GLN A 63 10.644 4.227 -11.025 1.00 0.00 C ATOM 950 CD GLN A 63 11.367 3.724 -12.277 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.240 4.376 -12.826 1.00 0.00 O ATOM 952 NE2 GLN A 63 10.956 2.530 -12.695 1.00 0.00 N ATOM 0 H GLN A 63 11.825 5.439 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 63 9.969 7.290 -9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.477 6.269 -11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.931 5.940 -10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.007 3.688 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.577 4.019 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.220 2.038 -12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.377 2.107 -13.522 1.00 0.00 H new ATOM 961 N VAL A 64 8.936 4.288 -8.835 1.00 0.00 N ATOM 962 CA VAL A 64 7.752 3.486 -8.576 1.00 0.00 C ATOM 963 C VAL A 64 6.946 4.126 -7.444 1.00 0.00 C ATOM 964 O VAL A 64 5.722 4.217 -7.523 1.00 0.00 O ATOM 965 CB VAL A 64 8.153 2.040 -8.281 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.920 1.167 -8.040 1.00 0.00 C ATOM 967 CG2 VAL A 64 9.017 1.470 -9.408 1.00 0.00 C ATOM 0 H VAL A 64 9.818 3.837 -8.592 1.00 0.00 H new ATOM 0 HA VAL A 64 7.110 3.457 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 64 8.749 2.037 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.234 0.144 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.360 1.555 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.286 1.180 -8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.288 0.441 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.457 1.494 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.922 2.069 -9.512 1.00 0.00 H new ATOM 977 N LEU A 65 7.665 4.553 -6.416 1.00 0.00 N ATOM 978 CA LEU A 65 7.032 5.181 -5.269 1.00 0.00 C ATOM 979 C LEU A 65 6.396 6.503 -5.704 1.00 0.00 C ATOM 980 O LEU A 65 5.227 6.757 -5.418 1.00 0.00 O ATOM 981 CB LEU A 65 8.032 5.328 -4.120 1.00 0.00 C ATOM 982 CG LEU A 65 7.627 6.287 -2.998 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.378 5.785 -2.271 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.792 6.529 -2.037 1.00 0.00 C ATOM 0 H LEU A 65 8.680 4.476 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 65 6.229 4.552 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.203 4.343 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.983 5.664 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 65 7.374 7.248 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.112 6.485 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.552 5.707 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.579 4.805 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.478 7.214 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.100 5.582 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.630 6.964 -2.583 1.00 0.00 H new ATOM 996 N LYS A 66 7.194 7.311 -6.387 1.00 0.00 N ATOM 997 CA LYS A 66 6.723 8.600 -6.864 1.00 0.00 C ATOM 998 C LYS A 66 5.527 8.389 -7.795 1.00 0.00 C ATOM 999 O LYS A 66 4.472 8.991 -7.602 1.00 0.00 O ATOM 1000 CB LYS A 66 7.869 9.385 -7.504 1.00 0.00 C ATOM 1001 CG LYS A 66 7.416 10.791 -7.902 1.00 0.00 C ATOM 1002 CD LYS A 66 7.182 10.886 -9.411 1.00 0.00 C ATOM 1003 CE LYS A 66 8.339 11.612 -10.101 1.00 0.00 C ATOM 1004 NZ LYS A 66 7.838 12.777 -10.865 1.00 0.00 N ATOM 0 H LYS A 66 8.164 7.098 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 66 6.375 9.210 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.703 9.452 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.232 8.853 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.498 11.045 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.170 11.518 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.075 9.885 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.249 11.415 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.064 11.942 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.859 10.927 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.636 13.258 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.163 12.454 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.363 13.438 -10.218 1.00 0.00 H new ATOM 1018 N ILE A 67 5.732 7.532 -8.784 1.00 0.00 N ATOM 1019 CA ILE A 67 4.684 7.234 -9.745 1.00 0.00 C ATOM 1020 C ILE A 67 3.476 6.648 -9.011 1.00 0.00 C ATOM 1021 O ILE A 67 2.334 6.867 -9.414 1.00 0.00 O ATOM 1022 CB ILE A 67 5.220 6.335 -10.862 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.374 7.012 -11.604 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.098 5.912 -11.811 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.298 5.974 -12.244 1.00 0.00 C ATOM 0 H ILE A 67 6.608 7.034 -8.941 1.00 0.00 H new ATOM 0 HA ILE A 67 4.347 8.147 -10.236 1.00 0.00 H new ATOM 0 HB ILE A 67 5.617 5.427 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.978 7.675 -12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.943 7.632 -10.911 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.506 5.274 -12.595 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.339 5.363 -11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.649 6.797 -12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.110 6.482 -12.765 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.712 5.328 -11.469 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.732 5.372 -12.954 1.00 0.00 H new ATOM 1037 N TRP A 68 3.769 5.915 -7.947 1.00 0.00 N ATOM 1038 CA TRP A 68 2.721 5.297 -7.153 1.00 0.00 C ATOM 1039 C TRP A 68 1.855 6.411 -6.562 1.00 0.00 C ATOM 1040 O TRP A 68 0.629 6.315 -6.563 1.00 0.00 O ATOM 1041 CB TRP A 68 3.314 4.372 -6.087 1.00 0.00 C ATOM 1042 CG TRP A 68 2.276 3.771 -5.138 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.572 2.642 -5.294 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.852 4.316 -3.871 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.728 2.420 -4.225 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.904 3.471 -3.332 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.257 5.485 -3.202 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.280 3.704 -2.100 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.624 5.704 -1.972 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.668 4.863 -1.416 1.00 0.00 C ATOM 0 H TRP A 68 4.717 5.735 -7.616 1.00 0.00 H new ATOM 0 HA TRP A 68 2.092 4.660 -7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.851 3.563 -6.581 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.046 4.930 -5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.655 1.988 -6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.092 1.630 -4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.997 6.160 -3.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.460 3.027 -1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.898 6.589 -1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.226 5.102 -0.460 1.00 0.00 H new ATOM 1061 N MET A 69 2.527 7.443 -6.073 1.00 0.00 N ATOM 1062 CA MET A 69 1.834 8.574 -5.480 1.00 0.00 C ATOM 1063 C MET A 69 0.886 9.226 -6.489 1.00 0.00 C ATOM 1064 O MET A 69 -0.252 9.553 -6.156 1.00 0.00 O ATOM 1065 CB MET A 69 2.857 9.606 -5.000 1.00 0.00 C ATOM 1066 CG MET A 69 3.808 8.995 -3.969 1.00 0.00 C ATOM 1067 SD MET A 69 4.149 10.179 -2.677 1.00 0.00 S ATOM 1068 CE MET A 69 5.931 10.090 -2.638 1.00 0.00 C ATOM 0 H MET A 69 3.544 7.520 -6.075 1.00 0.00 H new ATOM 0 HA MET A 69 1.245 8.214 -4.636 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.428 9.980 -5.850 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.340 10.460 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.365 8.095 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.737 8.694 -4.453 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.309 10.719 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.240 9.058 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.334 10.438 -3.589 1.00 0.00 H new ATOM 1078 N HIS A 70 1.391 9.396 -7.703 1.00 0.00 N ATOM 1079 CA HIS A 70 0.604 10.003 -8.763 1.00 0.00 C ATOM 1080 C HIS A 70 -0.400 8.983 -9.304 1.00 0.00 C ATOM 1081 O HIS A 70 -1.258 9.324 -10.117 1.00 0.00 O ATOM 1082 CB HIS A 70 1.511 10.578 -9.852 1.00 0.00 C ATOM 1083 CG HIS A 70 0.793 11.456 -10.849 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -0.006 11.134 -11.906 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 0.861 12.838 -10.816 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 -0.406 12.259 -12.487 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 0.131 13.316 -11.813 1.00 0.00 N flip ATOM 0 H HIS A 70 2.335 9.124 -7.976 1.00 0.00 H new ATOM 0 HA HIS A 70 0.036 10.844 -8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.306 11.156 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.988 9.755 -10.385 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.415 13.427 -10.100 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.050 12.326 -13.351 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.005 14.302 -12.037 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.259 7.753 -8.832 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.143 6.682 -9.259 1.00 0.00 C ATOM 1097 C ASN A 71 -2.284 6.535 -8.250 1.00 0.00 C ATOM 1098 O ASN A 71 -3.282 5.874 -8.529 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.398 5.348 -9.328 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.097 4.962 -10.778 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.404 3.872 -11.234 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.519 5.913 -11.474 1.00 0.00 N ATOM 0 H ASN A 71 0.454 7.474 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.524 6.934 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.533 5.418 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.997 4.568 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.763 5.753 -12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.747 6.803 -11.031 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.097 7.163 -7.098 1.00 0.00 N ATOM 1110 CA ASN A 72 -3.097 7.110 -6.046 1.00 0.00 C ATOM 1111 C ASN A 72 -3.682 8.508 -5.834 1.00 0.00 C ATOM 1112 O ASN A 72 -4.891 8.704 -5.950 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.482 6.649 -4.724 1.00 0.00 C ATOM 1114 CG ASN A 72 -2.161 5.154 -4.760 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -3.017 4.304 -4.574 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.884 4.881 -5.010 1.00 0.00 N ATOM 0 H ASN A 72 -1.267 7.711 -6.871 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.869 6.403 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.572 7.215 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.172 6.857 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.569 3.912 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.219 5.641 -5.156 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.796 9.445 -5.527 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.209 10.819 -5.297 1.00 0.00 C ATOM 1125 C LYS A 73 -4.296 11.196 -6.306 1.00 0.00 C ATOM 1126 O LYS A 73 -4.186 10.878 -7.490 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.998 11.753 -5.320 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.787 12.344 -6.715 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.640 13.356 -6.715 1.00 0.00 C ATOM 1130 CE LYS A 73 0.711 12.654 -6.562 1.00 0.00 C ATOM 1131 NZ LYS A 73 1.685 13.544 -5.893 1.00 0.00 N ATOM 0 H LYS A 73 -1.794 9.279 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.645 10.925 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.141 12.557 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.106 11.206 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.571 11.544 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.704 12.828 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.654 13.927 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.778 14.068 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.588 11.739 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.089 12.363 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.535 13.637 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.258 14.482 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.948 13.140 -4.971 1.00 0.00 H new ATOM 1145 N ASN A 74 -5.320 11.868 -5.802 1.00 0.00 N ATOM 1146 CA ASN A 74 -6.425 12.291 -6.645 1.00 0.00 C ATOM 1147 C ASN A 74 -7.275 11.074 -7.014 1.00 0.00 C ATOM 1148 O ASN A 74 -6.747 9.978 -7.199 1.00 0.00 O ATOM 1149 CB ASN A 74 -5.918 12.925 -7.941 1.00 0.00 C ATOM 1150 CG ASN A 74 -6.471 14.341 -8.112 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -7.598 14.643 -7.756 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -5.617 15.191 -8.676 1.00 0.00 N ATOM 0 H ASN A 74 -5.408 12.130 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.010 13.024 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.828 12.955 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.214 12.310 -8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.892 16.161 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.688 14.873 -8.951 1.00 0.00 H new ATOM 1159 N SER A 75 -8.575 11.307 -7.112 1.00 0.00 N ATOM 1160 CA SER A 75 -9.503 10.243 -7.456 1.00 0.00 C ATOM 1161 C SER A 75 -9.403 9.924 -8.949 1.00 0.00 C ATOM 1162 O SER A 75 -8.788 8.932 -9.336 1.00 0.00 O ATOM 1163 CB SER A 75 -10.938 10.623 -7.089 1.00 0.00 C ATOM 1164 OG SER A 75 -11.539 9.667 -6.220 1.00 0.00 O ATOM 0 H SER A 75 -9.008 12.218 -6.959 1.00 0.00 H new ATOM 0 HA SER A 75 -9.234 9.356 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.942 11.602 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.533 10.711 -7.998 1.00 0.00 H new ATOM 0 HG SER A 75 -12.454 9.947 -6.008 1.00 0.00 H new ATOM 1170 N GLY A 76 -10.016 10.785 -9.748 1.00 0.00 N ATOM 1171 CA GLY A 76 -10.004 10.608 -11.190 1.00 0.00 C ATOM 1172 C GLY A 76 -9.468 11.858 -11.891 1.00 0.00 C ATOM 1173 O GLY A 76 -8.685 12.611 -11.314 1.00 0.00 O ATOM 0 H GLY A 76 -10.524 11.608 -9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.386 9.748 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.013 10.394 -11.542 1.00 0.00 H new ATOM 1177 N PRO A 77 -9.924 12.046 -13.159 1.00 0.00 N ATOM 1178 CA PRO A 77 -9.499 13.192 -13.945 1.00 0.00 C ATOM 1179 C PRO A 77 -10.192 14.471 -13.469 1.00 0.00 C ATOM 1180 O PRO A 77 -10.873 15.138 -14.246 1.00 0.00 O ATOM 1181 CB PRO A 77 -9.840 12.831 -15.381 1.00 0.00 C ATOM 1182 CG PRO A 77 -10.859 11.706 -15.299 1.00 0.00 C ATOM 1183 CD PRO A 77 -10.853 11.176 -13.874 1.00 0.00 C ATOM 0 HA PRO A 77 -8.434 13.401 -13.843 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.249 13.690 -15.913 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.951 12.513 -15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.851 12.069 -15.567 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.609 10.912 -16.003 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.849 11.213 -13.433 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.528 10.136 -13.840 1.00 0.00 H new ATOM 1191 N SER A 78 -9.995 14.773 -12.194 1.00 0.00 N ATOM 1192 CA SER A 78 -10.592 15.960 -11.606 1.00 0.00 C ATOM 1193 C SER A 78 -12.037 16.112 -12.086 1.00 0.00 C ATOM 1194 O SER A 78 -12.305 16.844 -13.037 1.00 0.00 O ATOM 1195 CB SER A 78 -9.784 17.212 -11.952 1.00 0.00 C ATOM 1196 OG SER A 78 -9.575 17.343 -13.355 1.00 0.00 O ATOM 0 H SER A 78 -9.431 14.216 -11.552 1.00 0.00 H new ATOM 0 HA SER A 78 -10.586 15.844 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.305 18.094 -11.579 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.820 17.173 -11.444 1.00 0.00 H new ATOM 0 HG SER A 78 -10.390 17.084 -13.833 1.00 0.00 H new ATOM 1202 N SER A 79 -12.929 15.407 -11.406 1.00 0.00 N ATOM 1203 CA SER A 79 -14.340 15.454 -11.751 1.00 0.00 C ATOM 1204 C SER A 79 -14.547 14.942 -13.178 1.00 0.00 C ATOM 1205 O SER A 79 -14.384 15.691 -14.140 1.00 0.00 O ATOM 1206 CB SER A 79 -14.894 16.873 -11.611 1.00 0.00 C ATOM 1207 OG SER A 79 -15.958 16.940 -10.664 1.00 0.00 O ATOM 0 H SER A 79 -12.702 14.800 -10.618 1.00 0.00 H new ATOM 0 HA SER A 79 -14.883 14.811 -11.059 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.093 17.546 -11.305 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.249 17.221 -12.581 1.00 0.00 H new ATOM 0 HG SER A 79 -16.283 17.862 -10.602 1.00 0.00 H new ATOM 1213 N GLY A 80 -14.903 13.669 -13.270 1.00 0.00 N ATOM 1214 CA GLY A 80 -15.134 13.048 -14.563 1.00 0.00 C ATOM 1215 C GLY A 80 -13.976 13.331 -15.522 1.00 0.00 C ATOM 1216 O GLY A 80 -12.973 13.927 -15.131 1.00 0.00 O ATOM 0 H GLY A 80 -15.037 13.051 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.252 11.972 -14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.064 13.423 -14.990 1.00 0.00 H new TER 1220 GLY A 80