USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 10 MET CE :methyl 137:sc= -3.03 (180deg=-6.24!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0229 K(o=-0.023,f=-2.6!) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.577 K(o=-0.58,f=-2.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.34) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.412 F(o=-1.4,f=-0.41) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.65) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -160:sc= -2.81! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.6!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.099 -11.600 0.773 1.00 0.00 N ATOM 48 CA ALA A 5 -3.212 -11.921 -0.331 1.00 0.00 C ATOM 49 C ALA A 5 -3.521 -10.997 -1.511 1.00 0.00 C ATOM 50 O ALA A 5 -2.633 -10.671 -2.298 1.00 0.00 O ATOM 51 CB ALA A 5 -3.361 -13.400 -0.695 1.00 0.00 C ATOM 0 HA ALA A 5 -2.172 -11.759 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.695 -13.640 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.103 -14.015 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.391 -13.600 -0.988 1.00 0.00 H new ATOM 57 N GLU A 6 -4.782 -10.602 -1.598 1.00 0.00 N ATOM 58 CA GLU A 6 -5.220 -9.722 -2.669 1.00 0.00 C ATOM 59 C GLU A 6 -4.701 -8.302 -2.434 1.00 0.00 C ATOM 60 O GLU A 6 -4.191 -7.663 -3.355 1.00 0.00 O ATOM 61 CB GLU A 6 -6.743 -9.734 -2.802 1.00 0.00 C ATOM 62 CG GLU A 6 -7.239 -8.496 -3.551 1.00 0.00 C ATOM 63 CD GLU A 6 -8.371 -8.855 -4.516 1.00 0.00 C ATOM 64 OE1 GLU A 6 -9.381 -9.405 -4.025 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.201 -8.572 -5.722 1.00 0.00 O ATOM 0 H GLU A 6 -5.516 -10.875 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.805 -10.090 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.058 -10.634 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.198 -9.771 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.588 -7.750 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.414 -8.046 -4.104 1.00 0.00 H new ATOM 70 N LEU A 7 -4.849 -7.849 -1.198 1.00 0.00 N ATOM 71 CA LEU A 7 -4.401 -6.516 -0.831 1.00 0.00 C ATOM 72 C LEU A 7 -2.882 -6.431 -0.988 1.00 0.00 C ATOM 73 O LEU A 7 -2.356 -5.411 -1.431 1.00 0.00 O ATOM 74 CB LEU A 7 -4.896 -6.152 0.570 1.00 0.00 C ATOM 75 CG LEU A 7 -6.410 -6.207 0.783 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.772 -5.891 2.235 1.00 0.00 C ATOM 77 CD2 LEU A 7 -7.135 -5.286 -0.202 1.00 0.00 C ATOM 0 H LEU A 7 -5.273 -8.381 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.832 -5.772 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.424 -6.824 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.553 -5.144 0.804 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.747 -7.224 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.854 -5.937 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.300 -6.619 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.420 -4.891 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.210 -5.343 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.798 -4.260 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.914 -5.598 -1.223 1.00 0.00 H new ATOM 88 N LYS A 8 -2.218 -7.517 -0.617 1.00 0.00 N ATOM 89 CA LYS A 8 -0.771 -7.578 -0.712 1.00 0.00 C ATOM 90 C LYS A 8 -0.354 -7.472 -2.180 1.00 0.00 C ATOM 91 O LYS A 8 0.530 -6.689 -2.523 1.00 0.00 O ATOM 92 CB LYS A 8 -0.241 -8.831 -0.011 1.00 0.00 C ATOM 93 CG LYS A 8 0.828 -8.470 1.023 1.00 0.00 C ATOM 94 CD LYS A 8 0.738 -9.386 2.246 1.00 0.00 C ATOM 95 CE LYS A 8 -0.635 -9.280 2.911 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.498 -9.265 4.384 1.00 0.00 N ATOM 0 H LYS A 8 -2.657 -8.361 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.320 -6.733 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.063 -9.354 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.178 -9.515 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.817 -8.554 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.705 -7.432 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.922 -10.418 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.515 -9.119 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.138 -8.372 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.259 -10.120 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.440 -9.193 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.037 -10.143 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.080 -8.449 4.671 1.00 0.00 H new ATOM 106 N GLN A 9 -1.011 -8.271 -3.007 1.00 0.00 N ATOM 107 CA GLN A 9 -0.721 -8.277 -4.431 1.00 0.00 C ATOM 108 C GLN A 9 -0.966 -6.890 -5.028 1.00 0.00 C ATOM 109 O GLN A 9 -0.154 -6.394 -5.809 1.00 0.00 O ATOM 110 CB GLN A 9 -1.549 -9.341 -5.155 1.00 0.00 C ATOM 111 CG GLN A 9 -0.768 -10.650 -5.284 1.00 0.00 C ATOM 112 CD GLN A 9 -1.491 -11.630 -6.210 1.00 0.00 C ATOM 113 OE1 GLN A 9 -2.331 -11.261 -7.012 1.00 0.00 O ATOM 114 NE2 GLN A 9 -1.117 -12.897 -6.054 1.00 0.00 N ATOM 0 H GLN A 9 -1.744 -8.919 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 9 0.331 -8.529 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.476 -9.519 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.826 -8.980 -6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.230 -10.446 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.641 -11.100 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.407 -13.138 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.541 -13.628 -6.626 1.00 0.00 H new ATOM 121 N MET A 10 -2.087 -6.303 -4.639 1.00 0.00 N ATOM 122 CA MET A 10 -2.450 -4.983 -5.126 1.00 0.00 C ATOM 123 C MET A 10 -1.527 -3.911 -4.542 1.00 0.00 C ATOM 124 O MET A 10 -1.082 -3.013 -5.257 1.00 0.00 O ATOM 125 CB MET A 10 -3.898 -4.676 -4.741 1.00 0.00 C ATOM 126 CG MET A 10 -4.876 -5.504 -5.577 1.00 0.00 C ATOM 127 SD MET A 10 -6.547 -5.224 -5.017 1.00 0.00 S ATOM 128 CE MET A 10 -6.622 -3.445 -5.142 1.00 0.00 C ATOM 0 H MET A 10 -2.757 -6.717 -3.991 1.00 0.00 H new ATOM 0 HA MET A 10 -2.345 -4.975 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.049 -4.888 -3.683 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.099 -3.614 -4.885 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.786 -5.234 -6.629 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.630 -6.563 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.577 -3.151 -5.578 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.526 -3.006 -4.149 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.809 -3.090 -5.775 1.00 0.00 H new ATOM 136 N VAL A 11 -1.267 -4.039 -3.249 1.00 0.00 N ATOM 137 CA VAL A 11 -0.406 -3.093 -2.562 1.00 0.00 C ATOM 138 C VAL A 11 0.989 -3.132 -3.187 1.00 0.00 C ATOM 139 O VAL A 11 1.648 -2.099 -3.307 1.00 0.00 O ATOM 140 CB VAL A 11 -0.397 -3.389 -1.060 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.863 -2.826 -0.398 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.658 -2.848 -0.387 1.00 0.00 C ATOM 0 H VAL A 11 -1.638 -4.784 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.785 -2.078 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.388 -4.471 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.845 -3.050 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.745 -3.281 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.898 -1.746 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.626 -3.072 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.712 -1.769 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.537 -3.317 -0.830 1.00 0.00 H new ATOM 152 N MET A 12 1.398 -4.332 -3.571 1.00 0.00 N ATOM 153 CA MET A 12 2.704 -4.518 -4.181 1.00 0.00 C ATOM 154 C MET A 12 2.734 -3.940 -5.597 1.00 0.00 C ATOM 155 O MET A 12 3.785 -3.518 -6.076 1.00 0.00 O ATOM 156 CB MET A 12 3.035 -6.012 -4.232 1.00 0.00 C ATOM 157 CG MET A 12 3.605 -6.492 -2.895 1.00 0.00 C ATOM 158 SD MET A 12 5.320 -6.947 -3.092 1.00 0.00 S ATOM 159 CE MET A 12 5.350 -8.458 -2.140 1.00 0.00 C ATOM 0 H MET A 12 0.848 -5.185 -3.472 1.00 0.00 H new ATOM 0 HA MET A 12 3.445 -3.993 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.136 -6.579 -4.473 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.755 -6.202 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.513 -5.705 -2.147 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.033 -7.346 -2.532 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.355 -8.879 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.064 -8.245 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.650 -9.173 -2.571 1.00 0.00 H new ATOM 167 N SER A 13 1.568 -3.939 -6.226 1.00 0.00 N ATOM 168 CA SER A 13 1.448 -3.419 -7.578 1.00 0.00 C ATOM 169 C SER A 13 1.532 -1.892 -7.561 1.00 0.00 C ATOM 170 O SER A 13 1.830 -1.271 -8.581 1.00 0.00 O ATOM 171 CB SER A 13 0.139 -3.872 -8.228 1.00 0.00 C ATOM 172 OG SER A 13 0.251 -3.968 -9.645 1.00 0.00 O ATOM 0 H SER A 13 0.698 -4.290 -5.825 1.00 0.00 H new ATOM 0 HA SER A 13 2.272 -3.815 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.151 -4.841 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.654 -3.169 -7.974 1.00 0.00 H new ATOM 0 HG SER A 13 -0.605 -4.261 -10.022 1.00 0.00 H new ATOM 177 N LEU A 14 1.264 -1.329 -6.391 1.00 0.00 N ATOM 178 CA LEU A 14 1.305 0.114 -6.228 1.00 0.00 C ATOM 179 C LEU A 14 2.739 0.605 -6.439 1.00 0.00 C ATOM 180 O LEU A 14 3.689 -0.167 -6.316 1.00 0.00 O ATOM 181 CB LEU A 14 0.709 0.518 -4.879 1.00 0.00 C ATOM 182 CG LEU A 14 -0.793 0.280 -4.711 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.223 0.492 -3.258 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.597 1.150 -5.679 1.00 0.00 C ATOM 0 H LEU A 14 1.018 -1.847 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 14 0.686 0.601 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.233 -0.028 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.909 1.577 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.004 -0.760 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.295 0.317 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.685 -0.204 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.996 1.515 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.661 0.962 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.386 2.201 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.317 0.908 -6.704 1.00 0.00 H new ATOM 195 N ARG A 15 2.851 1.888 -6.751 1.00 0.00 N ATOM 196 CA ARG A 15 4.153 2.491 -6.980 1.00 0.00 C ATOM 197 C ARG A 15 4.739 3.004 -5.663 1.00 0.00 C ATOM 198 O ARG A 15 4.121 2.864 -4.608 1.00 0.00 O ATOM 199 CB ARG A 15 4.056 3.652 -7.972 1.00 0.00 C ATOM 200 CG ARG A 15 3.621 3.158 -9.354 1.00 0.00 C ATOM 201 CD ARG A 15 4.821 2.660 -10.160 1.00 0.00 C ATOM 202 NE ARG A 15 4.486 2.632 -11.601 1.00 0.00 N ATOM 203 CZ ARG A 15 4.547 3.702 -12.406 1.00 0.00 C ATOM 204 NH1 ARG A 15 4.930 4.889 -11.917 1.00 0.00 N ATOM 205 NH2 ARG A 15 4.225 3.584 -13.702 1.00 0.00 N ATOM 0 H ARG A 15 2.062 2.526 -6.851 1.00 0.00 H new ATOM 0 HA ARG A 15 4.804 1.724 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.343 4.390 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.022 4.152 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.893 2.354 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.126 3.965 -9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.679 3.311 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.106 1.663 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 15 4.191 1.744 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.176 4.979 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.976 5.703 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.934 2.680 -14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.271 4.398 -14.315 1.00 0.00 H new ATOM 216 N VAL A 16 5.924 3.586 -5.766 1.00 0.00 N ATOM 217 CA VAL A 16 6.601 4.120 -4.596 1.00 0.00 C ATOM 218 C VAL A 16 5.764 5.254 -4.001 1.00 0.00 C ATOM 219 O VAL A 16 5.568 5.314 -2.789 1.00 0.00 O ATOM 220 CB VAL A 16 8.021 4.557 -4.966 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.681 5.310 -3.810 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.868 3.357 -5.394 1.00 0.00 C ATOM 0 H VAL A 16 6.434 3.700 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 16 6.701 3.352 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 16 7.953 5.239 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.689 5.609 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.094 6.197 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.732 4.662 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.872 3.694 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.925 2.641 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.411 2.880 -6.261 1.00 0.00 H new ATOM 232 N SER A 17 5.292 6.124 -4.882 1.00 0.00 N ATOM 233 CA SER A 17 4.480 7.252 -4.459 1.00 0.00 C ATOM 234 C SER A 17 3.199 6.752 -3.787 1.00 0.00 C ATOM 235 O SER A 17 2.784 7.284 -2.759 1.00 0.00 O ATOM 236 CB SER A 17 4.139 8.161 -5.642 1.00 0.00 C ATOM 237 OG SER A 17 4.351 9.535 -5.337 1.00 0.00 O ATOM 0 H SER A 17 5.457 6.070 -5.887 1.00 0.00 H new ATOM 0 HA SER A 17 5.055 7.837 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.749 7.882 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.098 8.009 -5.927 1.00 0.00 H new ATOM 0 HG SER A 17 4.124 10.082 -6.118 1.00 0.00 H new ATOM 242 N GLU A 18 2.608 5.734 -4.397 1.00 0.00 N ATOM 243 CA GLU A 18 1.382 5.157 -3.871 1.00 0.00 C ATOM 244 C GLU A 18 1.632 4.550 -2.489 1.00 0.00 C ATOM 245 O GLU A 18 0.863 4.783 -1.558 1.00 0.00 O ATOM 246 CB GLU A 18 0.811 4.113 -4.833 1.00 0.00 C ATOM 247 CG GLU A 18 0.077 4.783 -5.997 1.00 0.00 C ATOM 248 CD GLU A 18 0.731 4.428 -7.335 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.685 3.230 -7.687 1.00 0.00 O ATOM 250 OE2 GLU A 18 1.261 5.362 -7.973 1.00 0.00 O ATOM 0 H GLU A 18 2.955 5.295 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 18 0.643 5.952 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.617 3.489 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.127 3.455 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.966 4.468 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.083 5.864 -5.861 1.00 0.00 H new ATOM 255 N LEU A 19 2.710 3.787 -2.399 1.00 0.00 N ATOM 256 CA LEU A 19 3.071 3.145 -1.146 1.00 0.00 C ATOM 257 C LEU A 19 3.261 4.214 -0.068 1.00 0.00 C ATOM 258 O LEU A 19 2.967 3.979 1.102 1.00 0.00 O ATOM 259 CB LEU A 19 4.289 2.241 -1.338 1.00 0.00 C ATOM 260 CG LEU A 19 4.046 0.944 -2.114 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.109 0.745 -3.195 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.961 -0.254 -1.166 1.00 0.00 C ATOM 0 H LEU A 19 3.346 3.598 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 19 2.268 2.490 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.062 2.811 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.685 1.985 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 19 3.084 1.023 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.913 -0.183 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.078 1.581 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.094 0.695 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.788 -1.163 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.896 -0.348 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.139 -0.106 -0.466 1.00 0.00 H new ATOM 273 N GLN A 20 3.754 5.365 -0.501 1.00 0.00 N ATOM 274 CA GLN A 20 3.988 6.470 0.412 1.00 0.00 C ATOM 275 C GLN A 20 2.667 6.944 1.022 1.00 0.00 C ATOM 276 O GLN A 20 2.635 7.405 2.161 1.00 0.00 O ATOM 277 CB GLN A 20 4.710 7.620 -0.293 1.00 0.00 C ATOM 278 CG GLN A 20 6.055 7.160 -0.856 1.00 0.00 C ATOM 279 CD GLN A 20 7.213 7.914 -0.197 1.00 0.00 C ATOM 280 OE1 GLN A 20 7.824 7.457 0.754 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.477 9.093 -0.755 1.00 0.00 N ATOM 0 H GLN A 20 3.998 5.556 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 20 4.633 6.119 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.087 8.005 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.866 8.440 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.174 6.089 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.077 7.323 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.926 9.416 -1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.231 9.674 -0.388 1.00 0.00 H new ATOM 288 N VAL A 21 1.608 6.812 0.236 1.00 0.00 N ATOM 289 CA VAL A 21 0.287 7.221 0.684 1.00 0.00 C ATOM 290 C VAL A 21 -0.212 6.238 1.746 1.00 0.00 C ATOM 291 O VAL A 21 -0.882 6.636 2.697 1.00 0.00 O ATOM 292 CB VAL A 21 -0.658 7.339 -0.513 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.915 8.129 -0.143 1.00 0.00 C ATOM 294 CG2 VAL A 21 0.053 7.971 -1.712 1.00 0.00 C ATOM 0 H VAL A 21 1.638 6.428 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 21 0.328 8.207 1.147 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.966 6.333 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.570 8.198 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.439 7.621 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.633 9.131 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.641 8.043 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.403 8.968 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.904 7.352 -1.998 1.00 0.00 H new ATOM 304 N LEU A 22 0.132 4.975 1.546 1.00 0.00 N ATOM 305 CA LEU A 22 -0.274 3.933 2.475 1.00 0.00 C ATOM 306 C LEU A 22 0.270 4.257 3.867 1.00 0.00 C ATOM 307 O LEU A 22 -0.446 4.139 4.860 1.00 0.00 O ATOM 308 CB LEU A 22 0.148 2.558 1.953 1.00 0.00 C ATOM 309 CG LEU A 22 -0.469 2.127 0.621 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.625 0.606 0.556 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.795 2.850 0.371 1.00 0.00 C ATOM 0 H LEU A 22 0.687 4.649 0.755 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.360 3.897 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.233 2.549 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.106 1.812 2.706 1.00 0.00 H new ATOM 0 HG LEU A 22 0.211 2.416 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.066 0.326 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.353 0.135 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.274 0.272 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.212 2.525 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.495 2.614 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.623 3.926 0.344 1.00 0.00 H new ATOM 322 N LEU A 23 1.534 4.657 3.895 1.00 0.00 N ATOM 323 CA LEU A 23 2.182 4.998 5.150 1.00 0.00 C ATOM 324 C LEU A 23 1.679 6.363 5.625 1.00 0.00 C ATOM 325 O LEU A 23 1.355 6.535 6.799 1.00 0.00 O ATOM 326 CB LEU A 23 3.703 4.920 5.005 1.00 0.00 C ATOM 327 CG LEU A 23 4.271 3.551 4.626 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.337 2.426 5.074 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.578 3.481 3.129 1.00 0.00 C ATOM 0 H LEU A 23 2.125 4.752 3.069 1.00 0.00 H new ATOM 0 HA LEU A 23 1.920 4.275 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.014 5.642 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.154 5.230 5.947 1.00 0.00 H new ATOM 0 HG LEU A 23 5.214 3.414 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.765 1.464 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.213 2.465 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.366 2.546 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.981 2.498 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.663 3.649 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.310 4.247 2.872 1.00 0.00 H new ATOM 340 N GLY A 24 1.628 7.298 4.688 1.00 0.00 N ATOM 341 CA GLY A 24 1.170 8.642 4.996 1.00 0.00 C ATOM 342 C GLY A 24 -0.232 8.616 5.607 1.00 0.00 C ATOM 343 O GLY A 24 -0.490 9.283 6.608 1.00 0.00 O ATOM 0 H GLY A 24 1.896 7.151 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.864 9.117 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.164 9.245 4.088 1.00 0.00 H new ATOM 347 N TYR A 25 -1.103 7.839 4.979 1.00 0.00 N ATOM 348 CA TYR A 25 -2.473 7.717 5.448 1.00 0.00 C ATOM 349 C TYR A 25 -2.536 6.927 6.758 1.00 0.00 C ATOM 350 O TYR A 25 -3.550 6.949 7.451 1.00 0.00 O ATOM 351 CB TYR A 25 -3.224 6.944 4.363 1.00 0.00 C ATOM 352 CG TYR A 25 -4.744 7.100 4.427 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.304 8.352 4.587 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.557 5.990 4.325 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.734 8.499 4.647 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.989 6.136 4.384 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.506 7.384 4.543 1.00 0.00 C ATOM 358 OH TYR A 25 -8.859 7.523 4.599 1.00 0.00 O ATOM 0 H TYR A 25 -0.886 7.287 4.149 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.904 8.701 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.876 7.279 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.974 5.886 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.668 9.221 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.119 5.010 4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.184 9.473 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.636 5.275 4.304 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.286 6.702 4.276 1.00 0.00 H new ATOM 367 N ALA A 26 -1.437 6.248 7.055 1.00 0.00 N ATOM 368 CA ALA A 26 -1.355 5.453 8.268 1.00 0.00 C ATOM 369 C ALA A 26 -0.497 6.189 9.298 1.00 0.00 C ATOM 370 O ALA A 26 -0.157 5.633 10.341 1.00 0.00 O ATOM 371 CB ALA A 26 -0.801 4.067 7.932 1.00 0.00 C ATOM 0 H ALA A 26 -0.597 6.232 6.477 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.345 5.313 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.739 3.470 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.462 3.574 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.193 4.168 7.496 1.00 0.00 H new ATOM 377 N GLY A 27 -0.173 7.432 8.971 1.00 0.00 N ATOM 378 CA GLY A 27 0.638 8.251 9.856 1.00 0.00 C ATOM 379 C GLY A 27 1.996 7.595 10.119 1.00 0.00 C ATOM 380 O GLY A 27 2.591 7.794 11.177 1.00 0.00 O ATOM 0 H GLY A 27 -0.457 7.891 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.786 9.236 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.114 8.402 10.800 1.00 0.00 H new ATOM 384 N ARG A 28 2.445 6.828 9.138 1.00 0.00 N ATOM 385 CA ARG A 28 3.722 6.142 9.249 1.00 0.00 C ATOM 386 C ARG A 28 4.802 6.900 8.476 1.00 0.00 C ATOM 387 O ARG A 28 4.492 7.722 7.614 1.00 0.00 O ATOM 388 CB ARG A 28 3.628 4.712 8.712 1.00 0.00 C ATOM 389 CG ARG A 28 2.747 3.844 9.613 1.00 0.00 C ATOM 390 CD ARG A 28 3.564 3.233 10.753 1.00 0.00 C ATOM 391 NE ARG A 28 3.145 1.832 10.980 1.00 0.00 N ATOM 392 CZ ARG A 28 3.776 0.982 11.803 1.00 0.00 C ATOM 393 NH1 ARG A 28 4.859 1.386 12.480 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.324 -0.271 11.948 1.00 0.00 N ATOM 0 H ARG A 28 1.948 6.666 8.262 1.00 0.00 H new ATOM 0 HA ARG A 28 3.987 6.104 10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.219 4.725 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.626 4.278 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.936 4.446 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.288 3.050 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.626 3.269 10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.425 3.815 11.664 1.00 0.00 H new ATOM 0 HE ARG A 28 2.324 1.491 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.203 2.340 12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.339 0.740 13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.500 -0.579 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.804 -0.917 12.574 1.00 0.00 H new ATOM 405 N ASN A 29 6.048 6.598 8.810 1.00 0.00 N ATOM 406 CA ASN A 29 7.175 7.241 8.158 1.00 0.00 C ATOM 407 C ASN A 29 7.307 6.704 6.731 1.00 0.00 C ATOM 408 O ASN A 29 7.246 5.495 6.510 1.00 0.00 O ATOM 409 CB ASN A 29 8.482 6.945 8.896 1.00 0.00 C ATOM 410 CG ASN A 29 9.690 7.418 8.085 1.00 0.00 C ATOM 411 OD1 ASN A 29 9.623 8.362 7.315 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.797 6.712 8.301 1.00 0.00 N ATOM 0 H ASN A 29 6.302 5.916 9.525 1.00 0.00 H new ATOM 0 HA ASN A 29 6.996 8.316 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.475 7.440 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.563 5.874 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.658 6.950 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.785 5.933 8.959 1.00 0.00 H new ATOM 418 N LYS A 30 7.486 7.628 5.799 1.00 0.00 N ATOM 419 CA LYS A 30 7.627 7.264 4.400 1.00 0.00 C ATOM 420 C LYS A 30 8.766 8.074 3.778 1.00 0.00 C ATOM 421 O LYS A 30 8.593 9.249 3.458 1.00 0.00 O ATOM 422 CB LYS A 30 6.292 7.417 3.668 1.00 0.00 C ATOM 423 CG LYS A 30 5.993 8.889 3.376 1.00 0.00 C ATOM 424 CD LYS A 30 4.486 9.136 3.289 1.00 0.00 C ATOM 425 CE LYS A 30 4.092 10.401 4.056 1.00 0.00 C ATOM 426 NZ LYS A 30 4.144 11.583 3.168 1.00 0.00 N ATOM 0 H LYS A 30 7.537 8.629 5.986 1.00 0.00 H new ATOM 0 HA LYS A 30 7.896 6.212 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.319 6.855 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.491 6.992 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.423 9.513 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.468 9.181 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.189 9.233 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.949 8.278 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.087 10.288 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.764 10.545 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.874 12.432 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.110 11.699 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.485 11.450 2.375 1.00 0.00 H new ATOM 436 N HIS A 31 9.905 7.415 3.625 1.00 0.00 N ATOM 437 CA HIS A 31 11.071 8.059 3.048 1.00 0.00 C ATOM 438 C HIS A 31 12.225 7.057 2.968 1.00 0.00 C ATOM 439 O HIS A 31 13.038 6.966 3.886 1.00 0.00 O ATOM 440 CB HIS A 31 11.437 9.322 3.829 1.00 0.00 C ATOM 441 CG HIS A 31 11.439 10.582 2.996 1.00 0.00 C ATOM 442 ND1 HIS A 31 11.958 10.632 1.714 1.00 0.00 N ATOM 443 CD2 HIS A 31 10.979 11.835 3.273 1.00 0.00 C ATOM 444 CE1 HIS A 31 11.813 11.865 1.252 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.206 12.609 2.220 1.00 0.00 N ATOM 0 H HIS A 31 10.045 6.440 3.891 1.00 0.00 H new ATOM 0 HA HIS A 31 10.845 8.383 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.733 9.444 4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.424 9.190 4.271 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.509 12.145 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.121 12.219 0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.966 13.598 2.147 1.00 0.00 H new ATOM 452 N GLY A 32 12.259 6.331 1.861 1.00 0.00 N ATOM 453 CA GLY A 32 13.299 5.339 1.648 1.00 0.00 C ATOM 454 C GLY A 32 13.168 4.693 0.267 1.00 0.00 C ATOM 455 O GLY A 32 12.546 5.259 -0.630 1.00 0.00 O ATOM 0 H GLY A 32 11.583 6.410 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.278 5.808 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.238 4.571 2.419 1.00 0.00 H new ATOM 459 N ARG A 33 13.764 3.517 0.140 1.00 0.00 N ATOM 460 CA ARG A 33 13.721 2.789 -1.117 1.00 0.00 C ATOM 461 C ARG A 33 12.397 2.035 -1.249 1.00 0.00 C ATOM 462 O ARG A 33 11.710 1.800 -0.256 1.00 0.00 O ATOM 463 CB ARG A 33 14.879 1.793 -1.216 1.00 0.00 C ATOM 464 CG ARG A 33 16.038 2.377 -2.028 1.00 0.00 C ATOM 465 CD ARG A 33 17.260 2.623 -1.140 1.00 0.00 C ATOM 466 NE ARG A 33 18.486 2.167 -1.832 1.00 0.00 N ATOM 467 CZ ARG A 33 18.710 0.901 -2.208 1.00 0.00 C ATOM 468 NH1 ARG A 33 17.790 -0.043 -1.962 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.852 0.578 -2.829 1.00 0.00 N ATOM 0 H ARG A 33 14.279 3.050 0.886 1.00 0.00 H new ATOM 0 HA ARG A 33 13.811 3.516 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.226 1.533 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.532 0.871 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.302 1.694 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.727 3.313 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.340 3.684 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.146 2.092 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 33 19.206 2.860 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.921 0.203 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.960 -1.007 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.552 1.296 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.022 -0.386 -3.115 1.00 0.00 H new ATOM 480 N LYS A 34 12.078 1.676 -2.484 1.00 0.00 N ATOM 481 CA LYS A 34 10.848 0.953 -2.759 1.00 0.00 C ATOM 482 C LYS A 34 10.803 -0.313 -1.901 1.00 0.00 C ATOM 483 O LYS A 34 9.762 -0.650 -1.341 1.00 0.00 O ATOM 484 CB LYS A 34 10.706 0.686 -4.258 1.00 0.00 C ATOM 485 CG LYS A 34 9.301 0.186 -4.596 1.00 0.00 C ATOM 486 CD LYS A 34 9.361 -1.093 -5.435 1.00 0.00 C ATOM 487 CE LYS A 34 9.475 -0.767 -6.925 1.00 0.00 C ATOM 488 NZ LYS A 34 9.449 -2.008 -7.731 1.00 0.00 N ATOM 0 H LYS A 34 12.650 1.872 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 34 9.983 1.556 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.914 1.600 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.444 -0.053 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.748 -0.004 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.758 0.958 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.214 -1.696 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.467 -1.691 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.655 -0.115 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.400 -0.223 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.527 -1.768 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.246 -2.617 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.555 -2.512 -7.563 1.00 0.00 H new ATOM 498 N HIS A 35 11.946 -0.979 -1.826 1.00 0.00 N ATOM 499 CA HIS A 35 12.050 -2.201 -1.046 1.00 0.00 C ATOM 500 C HIS A 35 11.664 -1.917 0.407 1.00 0.00 C ATOM 501 O HIS A 35 10.929 -2.688 1.021 1.00 0.00 O ATOM 502 CB HIS A 35 13.445 -2.814 -1.181 1.00 0.00 C ATOM 503 CG HIS A 35 13.746 -3.884 -0.159 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.855 -3.815 1.199 1.00 0.00 N flip ATOM 505 CD2 HIS A 35 13.977 -5.205 -0.503 1.00 0.00 C flip ATOM 506 CE1 HIS A 35 14.133 -5.027 1.660 1.00 0.00 C flip ATOM 507 NE2 HIS A 35 14.211 -5.891 0.607 1.00 0.00 N flip ATOM 0 H HIS A 35 12.808 -0.696 -2.292 1.00 0.00 H new ATOM 0 HA HIS A 35 11.352 -2.944 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.549 -3.240 -2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.189 -2.022 -1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.968 -5.608 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.274 -5.287 2.699 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.414 -6.889 0.664 1.00 0.00 H new ATOM 514 N GLU A 36 12.178 -0.806 0.915 1.00 0.00 N ATOM 515 CA GLU A 36 11.898 -0.410 2.285 1.00 0.00 C ATOM 516 C GLU A 36 10.419 -0.055 2.442 1.00 0.00 C ATOM 517 O GLU A 36 9.770 -0.486 3.394 1.00 0.00 O ATOM 518 CB GLU A 36 12.791 0.756 2.712 1.00 0.00 C ATOM 519 CG GLU A 36 14.221 0.282 2.983 1.00 0.00 C ATOM 520 CD GLU A 36 14.593 0.473 4.455 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.340 1.586 4.964 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.121 -0.499 5.037 1.00 0.00 O ATOM 0 H GLU A 36 12.787 -0.168 0.402 1.00 0.00 H new ATOM 0 HA GLU A 36 12.121 -1.253 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.798 1.518 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.383 1.222 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.316 -0.770 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.917 0.836 2.354 1.00 0.00 H new ATOM 527 N LEU A 37 9.927 0.729 1.493 1.00 0.00 N ATOM 528 CA LEU A 37 8.536 1.148 1.514 1.00 0.00 C ATOM 529 C LEU A 37 7.636 -0.080 1.361 1.00 0.00 C ATOM 530 O LEU A 37 6.567 -0.150 1.966 1.00 0.00 O ATOM 531 CB LEU A 37 8.286 2.230 0.462 1.00 0.00 C ATOM 532 CG LEU A 37 8.936 3.589 0.729 1.00 0.00 C ATOM 533 CD1 LEU A 37 9.159 4.356 -0.576 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.117 4.399 1.738 1.00 0.00 C ATOM 0 H LEU A 37 10.468 1.085 0.705 1.00 0.00 H new ATOM 0 HA LEU A 37 8.290 1.606 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.642 1.862 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.210 2.376 0.369 1.00 0.00 H new ATOM 0 HG LEU A 37 9.917 3.418 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.622 5.318 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.812 3.779 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.201 4.518 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.600 5.361 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.114 4.562 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.053 3.851 2.678 1.00 0.00 H new ATOM 545 N LEU A 38 8.101 -1.017 0.546 1.00 0.00 N ATOM 546 CA LEU A 38 7.352 -2.237 0.306 1.00 0.00 C ATOM 547 C LEU A 38 7.129 -2.964 1.633 1.00 0.00 C ATOM 548 O LEU A 38 6.072 -3.556 1.851 1.00 0.00 O ATOM 549 CB LEU A 38 8.047 -3.093 -0.756 1.00 0.00 C ATOM 550 CG LEU A 38 7.328 -3.210 -2.101 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.822 -3.398 -1.902 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.644 -2.013 -2.998 1.00 0.00 C ATOM 0 H LEU A 38 8.987 -0.954 0.044 1.00 0.00 H new ATOM 0 HA LEU A 38 6.367 -2.005 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.041 -2.681 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.185 -4.096 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 38 7.699 -4.099 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.334 -3.479 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.641 -4.307 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.417 -2.542 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.120 -2.122 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.320 -1.095 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.718 -1.968 -3.179 1.00 0.00 H new ATOM 563 N THR A 39 8.141 -2.897 2.485 1.00 0.00 N ATOM 564 CA THR A 39 8.068 -3.541 3.785 1.00 0.00 C ATOM 565 C THR A 39 7.060 -2.821 4.682 1.00 0.00 C ATOM 566 O THR A 39 6.338 -3.458 5.447 1.00 0.00 O ATOM 567 CB THR A 39 9.481 -3.584 4.371 1.00 0.00 C ATOM 568 OG1 THR A 39 10.107 -4.667 3.689 1.00 0.00 O ATOM 569 CG2 THR A 39 9.493 -4.011 5.840 1.00 0.00 C ATOM 0 H THR A 39 9.016 -2.407 2.300 1.00 0.00 H new ATOM 0 HA THR A 39 7.704 -4.565 3.699 1.00 0.00 H new ATOM 0 HB THR A 39 9.944 -2.602 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.029 -4.765 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.519 -4.025 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.907 -3.305 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.061 -5.007 5.933 1.00 0.00 H new ATOM 577 N LYS A 40 7.044 -1.502 4.560 1.00 0.00 N ATOM 578 CA LYS A 40 6.137 -0.687 5.350 1.00 0.00 C ATOM 579 C LYS A 40 4.693 -1.051 4.996 1.00 0.00 C ATOM 580 O LYS A 40 3.821 -1.060 5.864 1.00 0.00 O ATOM 581 CB LYS A 40 6.458 0.798 5.174 1.00 0.00 C ATOM 582 CG LYS A 40 7.871 1.116 5.669 1.00 0.00 C ATOM 583 CD LYS A 40 7.965 2.558 6.171 1.00 0.00 C ATOM 584 CE LYS A 40 8.931 3.376 5.312 1.00 0.00 C ATOM 585 NZ LYS A 40 10.233 3.528 5.998 1.00 0.00 N ATOM 0 H LYS A 40 7.645 -0.977 3.925 1.00 0.00 H new ATOM 0 HA LYS A 40 6.267 -0.893 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.367 1.071 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.733 1.398 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.142 0.430 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.586 0.961 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.977 3.018 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.300 2.565 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.076 2.885 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.504 4.358 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.877 4.086 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.092 4.016 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.646 2.589 6.170 1.00 0.00 H new ATOM 595 N ALA A 41 4.485 -1.340 3.720 1.00 0.00 N ATOM 596 CA ALA A 41 3.163 -1.702 3.241 1.00 0.00 C ATOM 597 C ALA A 41 2.745 -3.034 3.867 1.00 0.00 C ATOM 598 O ALA A 41 1.626 -3.169 4.361 1.00 0.00 O ATOM 599 CB ALA A 41 3.169 -1.754 1.711 1.00 0.00 C ATOM 0 H ALA A 41 5.211 -1.331 3.003 1.00 0.00 H new ATOM 0 HA ALA A 41 2.430 -0.953 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.176 -2.026 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.443 -0.776 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.892 -2.497 1.375 1.00 0.00 H new ATOM 605 N LEU A 42 3.666 -3.985 3.827 1.00 0.00 N ATOM 606 CA LEU A 42 3.408 -5.302 4.384 1.00 0.00 C ATOM 607 C LEU A 42 3.274 -5.190 5.905 1.00 0.00 C ATOM 608 O LEU A 42 2.335 -5.727 6.490 1.00 0.00 O ATOM 609 CB LEU A 42 4.481 -6.295 3.933 1.00 0.00 C ATOM 610 CG LEU A 42 4.524 -6.600 2.435 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.094 -8.042 2.156 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.689 -5.590 1.644 1.00 0.00 C ATOM 0 H LEU A 42 4.593 -3.870 3.417 1.00 0.00 H new ATOM 0 HA LEU A 42 2.464 -5.696 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.455 -5.908 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.330 -7.231 4.470 1.00 0.00 H new ATOM 0 HG LEU A 42 5.555 -6.500 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.134 -8.232 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.766 -8.728 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.076 -8.194 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.737 -5.830 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.653 -5.633 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.082 -4.586 1.807 1.00 0.00 H new ATOM 623 N HIS A 43 4.227 -4.488 6.500 1.00 0.00 N ATOM 624 CA HIS A 43 4.227 -4.299 7.941 1.00 0.00 C ATOM 625 C HIS A 43 2.940 -3.589 8.366 1.00 0.00 C ATOM 626 O HIS A 43 2.464 -3.776 9.484 1.00 0.00 O ATOM 627 CB HIS A 43 5.489 -3.558 8.392 1.00 0.00 C ATOM 628 CG HIS A 43 6.571 -4.463 8.931 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.919 -4.175 8.807 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.491 -5.651 9.597 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.610 -5.152 9.375 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.722 -6.066 9.865 1.00 0.00 N ATOM 0 H HIS A 43 5.004 -4.043 6.011 1.00 0.00 H new ATOM 0 HA HIS A 43 4.247 -5.269 8.438 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.888 -2.994 7.549 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.218 -2.834 9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.579 -6.166 9.861 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.686 -5.215 9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.965 -6.926 10.356 1.00 0.00 H new ATOM 639 N LEU A 44 2.414 -2.789 7.450 1.00 0.00 N ATOM 640 CA LEU A 44 1.191 -2.050 7.715 1.00 0.00 C ATOM 641 C LEU A 44 0.038 -3.035 7.913 1.00 0.00 C ATOM 642 O LEU A 44 -0.774 -2.872 8.823 1.00 0.00 O ATOM 643 CB LEU A 44 0.938 -1.020 6.613 1.00 0.00 C ATOM 644 CG LEU A 44 1.197 0.441 6.987 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.650 1.386 5.915 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.635 0.759 8.374 1.00 0.00 C ATOM 0 H LEU A 44 2.812 -2.636 6.523 1.00 0.00 H new ATOM 0 HA LEU A 44 1.284 -1.478 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.565 -1.272 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.098 -1.113 6.288 1.00 0.00 H new ATOM 0 HG LEU A 44 2.275 0.597 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.847 2.418 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.138 1.177 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.425 1.237 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.832 1.803 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.441 0.582 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.112 0.118 9.116 1.00 0.00 H new ATOM 657 N LEU A 45 0.002 -4.037 7.048 1.00 0.00 N ATOM 658 CA LEU A 45 -1.038 -5.049 7.116 1.00 0.00 C ATOM 659 C LEU A 45 -0.800 -5.937 8.338 1.00 0.00 C ATOM 660 O LEU A 45 -1.721 -6.191 9.115 1.00 0.00 O ATOM 661 CB LEU A 45 -1.120 -5.824 5.799 1.00 0.00 C ATOM 662 CG LEU A 45 -1.460 -5.000 4.556 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.433 -5.232 3.446 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.888 -5.285 4.084 1.00 0.00 C ATOM 0 H LEU A 45 0.677 -4.170 6.295 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.015 -4.583 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.164 -6.319 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.870 -6.607 5.908 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.413 -3.944 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.698 -4.634 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.556 -4.940 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.424 -6.287 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.105 -4.687 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.986 -6.343 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.591 -5.029 4.876 1.00 0.00 H new ATOM 675 N LYS A 46 0.440 -6.386 8.472 1.00 0.00 N ATOM 676 CA LYS A 46 0.810 -7.241 9.587 1.00 0.00 C ATOM 677 C LYS A 46 0.616 -6.474 10.898 1.00 0.00 C ATOM 678 O LYS A 46 0.281 -7.066 11.922 1.00 0.00 O ATOM 679 CB LYS A 46 2.227 -7.785 9.397 1.00 0.00 C ATOM 680 CG LYS A 46 2.219 -9.044 8.530 1.00 0.00 C ATOM 681 CD LYS A 46 3.467 -9.112 7.648 1.00 0.00 C ATOM 682 CE LYS A 46 4.726 -9.311 8.495 1.00 0.00 C ATOM 683 NZ LYS A 46 5.563 -10.394 7.932 1.00 0.00 N ATOM 0 H LYS A 46 1.201 -6.174 7.827 1.00 0.00 H new ATOM 0 HA LYS A 46 0.161 -8.115 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.853 -7.023 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.667 -8.011 10.368 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.171 -9.928 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.327 -9.053 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.370 -9.932 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.557 -8.194 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.297 -8.383 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.447 -9.554 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.413 -10.516 8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.021 -11.281 7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.844 -10.147 6.962 1.00 0.00 H new ATOM 693 N ALA A 47 0.834 -5.170 10.822 1.00 0.00 N ATOM 694 CA ALA A 47 0.688 -4.317 11.989 1.00 0.00 C ATOM 695 C ALA A 47 -0.779 -3.910 12.136 1.00 0.00 C ATOM 696 O ALA A 47 -1.114 -3.076 12.976 1.00 0.00 O ATOM 697 CB ALA A 47 1.618 -3.109 11.858 1.00 0.00 C ATOM 0 H ALA A 47 1.111 -4.683 9.970 1.00 0.00 H new ATOM 0 HA ALA A 47 0.975 -4.852 12.894 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.509 -2.469 12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.650 -3.451 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.358 -2.545 10.962 1.00 0.00 H new ATOM 703 N GLY A 48 -1.616 -4.520 11.308 1.00 0.00 N ATOM 704 CA GLY A 48 -3.039 -4.231 11.336 1.00 0.00 C ATOM 705 C GLY A 48 -3.309 -2.764 10.995 1.00 0.00 C ATOM 706 O GLY A 48 -3.253 -1.899 11.868 1.00 0.00 O ATOM 0 H GLY A 48 -1.335 -5.213 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.558 -4.874 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.440 -4.458 12.324 1.00 0.00 H new ATOM 710 N CYS A 49 -3.595 -2.529 9.723 1.00 0.00 N ATOM 711 CA CYS A 49 -3.874 -1.181 9.256 1.00 0.00 C ATOM 712 C CYS A 49 -5.391 -1.014 9.149 1.00 0.00 C ATOM 713 O CYS A 49 -6.092 -1.935 8.735 1.00 0.00 O ATOM 714 CB CYS A 49 -3.172 -0.887 7.929 1.00 0.00 C ATOM 715 SG CYS A 49 -2.763 0.894 7.819 1.00 0.00 S ATOM 0 H CYS A 49 -3.640 -3.249 9.001 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.480 -0.457 9.969 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.263 -1.483 7.849 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.815 -1.173 7.097 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.566 1.218 6.576 1.00 0.00 H new ATOM 720 N SER A 50 -5.852 0.168 9.529 1.00 0.00 N ATOM 721 CA SER A 50 -7.273 0.469 9.480 1.00 0.00 C ATOM 722 C SER A 50 -7.846 0.070 8.118 1.00 0.00 C ATOM 723 O SER A 50 -7.103 -0.081 7.149 1.00 0.00 O ATOM 724 CB SER A 50 -7.532 1.952 9.752 1.00 0.00 C ATOM 725 OG SER A 50 -7.840 2.198 11.121 1.00 0.00 O ATOM 0 H SER A 50 -5.267 0.929 9.872 1.00 0.00 H new ATOM 0 HA SER A 50 -7.772 -0.107 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.653 2.531 9.468 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.356 2.297 9.127 1.00 0.00 H new ATOM 0 HG SER A 50 -7.997 3.156 11.254 1.00 0.00 H new ATOM 730 N PRO A 51 -9.195 -0.092 8.088 1.00 0.00 N ATOM 731 CA PRO A 51 -9.877 -0.469 6.861 1.00 0.00 C ATOM 732 C PRO A 51 -9.962 0.714 5.895 1.00 0.00 C ATOM 733 O PRO A 51 -10.286 0.539 4.722 1.00 0.00 O ATOM 734 CB PRO A 51 -11.240 -0.972 7.306 1.00 0.00 C ATOM 735 CG PRO A 51 -11.447 -0.427 8.711 1.00 0.00 C ATOM 736 CD PRO A 51 -10.106 0.080 9.217 1.00 0.00 C ATOM 0 HA PRO A 51 -9.345 -1.241 6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.024 -0.624 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.275 -2.061 7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.181 0.378 8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.834 -1.205 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.167 1.125 9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.771 -0.486 10.086 1.00 0.00 H new ATOM 741 N ALA A 52 -9.666 1.892 6.424 1.00 0.00 N ATOM 742 CA ALA A 52 -9.705 3.104 5.624 1.00 0.00 C ATOM 743 C ALA A 52 -8.572 3.067 4.596 1.00 0.00 C ATOM 744 O ALA A 52 -8.759 3.465 3.447 1.00 0.00 O ATOM 745 CB ALA A 52 -9.622 4.324 6.542 1.00 0.00 C ATOM 0 H ALA A 52 -9.398 2.033 7.398 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.645 3.173 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.651 5.234 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.465 4.318 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.690 4.292 7.107 1.00 0.00 H new ATOM 751 N VAL A 53 -7.422 2.587 5.047 1.00 0.00 N ATOM 752 CA VAL A 53 -6.259 2.494 4.181 1.00 0.00 C ATOM 753 C VAL A 53 -6.449 1.333 3.202 1.00 0.00 C ATOM 754 O VAL A 53 -5.942 1.372 2.082 1.00 0.00 O ATOM 755 CB VAL A 53 -4.989 2.364 5.023 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.738 2.460 4.147 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.960 3.413 6.137 1.00 0.00 C ATOM 0 H VAL A 53 -7.271 2.258 6.001 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.149 3.403 3.590 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.996 1.379 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.849 2.365 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.750 1.660 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.723 3.424 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.047 3.299 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.988 4.410 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.825 3.278 6.786 1.00 0.00 H new ATOM 767 N GLN A 54 -7.182 0.329 3.660 1.00 0.00 N ATOM 768 CA GLN A 54 -7.445 -0.840 2.838 1.00 0.00 C ATOM 769 C GLN A 54 -8.180 -0.436 1.559 1.00 0.00 C ATOM 770 O GLN A 54 -7.933 -0.997 0.493 1.00 0.00 O ATOM 771 CB GLN A 54 -8.238 -1.890 3.618 1.00 0.00 C ATOM 772 CG GLN A 54 -7.329 -2.669 4.572 1.00 0.00 C ATOM 773 CD GLN A 54 -7.858 -4.087 4.798 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.669 -4.602 4.046 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.355 -4.686 5.873 1.00 0.00 N ATOM 0 H GLN A 54 -7.602 0.301 4.589 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.490 -1.286 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.033 -1.404 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.717 -2.579 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.320 -2.714 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.263 -2.145 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.679 -4.197 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.645 -5.635 6.111 1.00 0.00 H new ATOM 782 N MET A 55 -9.068 0.536 1.707 1.00 0.00 N ATOM 783 CA MET A 55 -9.841 1.022 0.577 1.00 0.00 C ATOM 784 C MET A 55 -8.970 1.858 -0.363 1.00 0.00 C ATOM 785 O MET A 55 -9.150 1.820 -1.580 1.00 0.00 O ATOM 786 CB MET A 55 -11.008 1.872 1.083 1.00 0.00 C ATOM 787 CG MET A 55 -11.946 1.045 1.964 1.00 0.00 C ATOM 788 SD MET A 55 -12.929 -0.049 0.954 1.00 0.00 S ATOM 789 CE MET A 55 -12.626 -1.598 1.787 1.00 0.00 C ATOM 0 H MET A 55 -9.269 1.000 2.593 1.00 0.00 H new ATOM 0 HA MET A 55 -10.220 0.163 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.626 2.721 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.562 2.277 0.236 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.366 0.466 2.683 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.596 1.706 2.537 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.170 -2.396 1.281 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.559 -1.818 1.769 1.00 0.00 H new ATOM 0 HE3 MET A 55 -12.964 -1.527 2.821 1.00 0.00 H new ATOM 797 N LYS A 56 -8.046 2.593 0.236 1.00 0.00 N ATOM 798 CA LYS A 56 -7.147 3.437 -0.534 1.00 0.00 C ATOM 799 C LYS A 56 -6.307 2.563 -1.467 1.00 0.00 C ATOM 800 O LYS A 56 -5.877 3.016 -2.527 1.00 0.00 O ATOM 801 CB LYS A 56 -6.313 4.319 0.398 1.00 0.00 C ATOM 802 CG LYS A 56 -5.927 5.632 -0.289 1.00 0.00 C ATOM 803 CD LYS A 56 -7.143 6.549 -0.437 1.00 0.00 C ATOM 804 CE LYS A 56 -7.068 7.721 0.544 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.050 9.008 -0.185 1.00 0.00 N ATOM 0 H LYS A 56 -7.900 2.622 1.245 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.714 4.123 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.878 4.532 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.413 3.785 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.154 6.137 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.503 5.422 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.196 6.927 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.056 5.980 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.922 7.692 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.172 7.632 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.999 9.792 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.221 9.040 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.917 9.098 -0.752 1.00 0.00 H new ATOM 815 N ILE A 57 -6.101 1.326 -1.041 1.00 0.00 N ATOM 816 CA ILE A 57 -5.321 0.384 -1.826 1.00 0.00 C ATOM 817 C ILE A 57 -6.042 0.107 -3.146 1.00 0.00 C ATOM 818 O ILE A 57 -5.412 0.042 -4.201 1.00 0.00 O ATOM 819 CB ILE A 57 -5.024 -0.876 -1.011 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.246 -0.536 0.262 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.302 -1.922 -1.863 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.450 -1.608 1.333 1.00 0.00 C ATOM 0 H ILE A 57 -6.461 0.954 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.349 0.810 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.973 -1.313 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.185 -0.446 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.572 0.431 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.103 -2.808 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.928 -2.195 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.360 -1.510 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.886 -1.341 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.509 -1.679 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.100 -2.569 0.957 1.00 0.00 H new ATOM 833 N LYS A 58 -7.354 -0.050 -3.045 1.00 0.00 N ATOM 834 CA LYS A 58 -8.168 -0.318 -4.219 1.00 0.00 C ATOM 835 C LYS A 58 -8.221 0.935 -5.096 1.00 0.00 C ATOM 836 O LYS A 58 -8.187 0.841 -6.321 1.00 0.00 O ATOM 837 CB LYS A 58 -9.547 -0.839 -3.807 1.00 0.00 C ATOM 838 CG LYS A 58 -9.489 -2.328 -3.457 1.00 0.00 C ATOM 839 CD LYS A 58 -10.641 -2.719 -2.530 1.00 0.00 C ATOM 840 CE LYS A 58 -11.416 -3.912 -3.093 1.00 0.00 C ATOM 841 NZ LYS A 58 -11.155 -5.126 -2.287 1.00 0.00 N ATOM 0 H LYS A 58 -7.873 0.003 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.720 -1.109 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.912 -0.274 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.257 -0.680 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.535 -2.922 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.538 -2.555 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.250 -2.967 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.314 -1.871 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.484 -3.692 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.125 -4.086 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.688 -5.926 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.138 -5.344 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.455 -4.962 -1.305 1.00 0.00 H new ATOM 851 N GLU A 59 -8.304 2.079 -4.432 1.00 0.00 N ATOM 852 CA GLU A 59 -8.363 3.349 -5.135 1.00 0.00 C ATOM 853 C GLU A 59 -7.022 3.643 -5.813 1.00 0.00 C ATOM 854 O GLU A 59 -6.979 3.968 -6.998 1.00 0.00 O ATOM 855 CB GLU A 59 -8.758 4.483 -4.187 1.00 0.00 C ATOM 856 CG GLU A 59 -9.994 4.106 -3.368 1.00 0.00 C ATOM 857 CD GLU A 59 -11.134 5.099 -3.604 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.845 6.314 -3.557 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.265 4.620 -3.827 1.00 0.00 O ATOM 0 H GLU A 59 -8.332 2.153 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.131 3.280 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.928 4.708 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.959 5.388 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.321 3.102 -3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.739 4.085 -2.308 1.00 0.00 H new ATOM 864 N LEU A 60 -5.960 3.518 -5.030 1.00 0.00 N ATOM 865 CA LEU A 60 -4.622 3.765 -5.539 1.00 0.00 C ATOM 866 C LEU A 60 -4.340 2.816 -6.705 1.00 0.00 C ATOM 867 O LEU A 60 -3.798 3.228 -7.729 1.00 0.00 O ATOM 868 CB LEU A 60 -3.594 3.674 -4.410 1.00 0.00 C ATOM 869 CG LEU A 60 -3.744 4.697 -3.281 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.172 4.155 -1.969 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.115 6.037 -3.670 1.00 0.00 C ATOM 0 H LEU A 60 -5.999 3.249 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.545 4.780 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.647 2.675 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.599 3.782 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.807 4.874 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.292 4.902 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.703 3.246 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.113 3.931 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.235 6.747 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.054 5.895 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.608 6.425 -4.561 1.00 0.00 H new ATOM 882 N TYR A 61 -4.722 1.562 -6.511 1.00 0.00 N ATOM 883 CA TYR A 61 -4.517 0.551 -7.534 1.00 0.00 C ATOM 884 C TYR A 61 -5.437 0.790 -8.733 1.00 0.00 C ATOM 885 O TYR A 61 -5.006 0.690 -9.880 1.00 0.00 O ATOM 886 CB TYR A 61 -4.883 -0.786 -6.884 1.00 0.00 C ATOM 887 CG TYR A 61 -4.759 -1.987 -7.823 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.800 -2.312 -8.670 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.608 -2.748 -7.822 1.00 0.00 C ATOM 890 CE1 TYR A 61 -5.684 -3.443 -9.553 1.00 0.00 C ATOM 891 CE2 TYR A 61 -3.492 -3.879 -8.705 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.536 -4.171 -9.528 1.00 0.00 C ATOM 893 OH TYR A 61 -4.425 -5.240 -10.361 1.00 0.00 O ATOM 0 H TYR A 61 -5.172 1.223 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.489 0.573 -7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.240 -0.946 -6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.907 -0.731 -6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.702 -1.717 -8.670 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.794 -2.495 -7.159 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.491 -3.707 -10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.596 -4.482 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.551 -5.664 -10.234 1.00 0.00 H new ATOM 902 N ARG A 62 -6.687 1.102 -8.426 1.00 0.00 N ATOM 903 CA ARG A 62 -7.672 1.356 -9.464 1.00 0.00 C ATOM 904 C ARG A 62 -7.189 2.475 -10.391 1.00 0.00 C ATOM 905 O ARG A 62 -7.139 2.299 -11.607 1.00 0.00 O ATOM 906 CB ARG A 62 -9.021 1.750 -8.860 1.00 0.00 C ATOM 907 CG ARG A 62 -9.877 0.514 -8.579 1.00 0.00 C ATOM 908 CD ARG A 62 -11.259 0.646 -9.221 1.00 0.00 C ATOM 909 NE ARG A 62 -11.265 -0.007 -10.549 1.00 0.00 N ATOM 910 CZ ARG A 62 -11.104 -1.324 -10.738 1.00 0.00 C ATOM 911 NH1 ARG A 62 -10.923 -2.136 -9.688 1.00 0.00 N ATOM 912 NH2 ARG A 62 -11.122 -1.829 -11.979 1.00 0.00 N ATOM 0 H ARG A 62 -7.041 1.185 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.798 0.435 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.862 2.304 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.549 2.415 -9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.377 -0.374 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.984 0.378 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.012 0.190 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.523 1.699 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.400 0.582 -11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.908 -1.752 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.801 -3.138 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.258 -1.211 -12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.000 -2.831 -12.124 1.00 0.00 H new ATOM 923 N ARG A 63 -6.848 3.599 -9.779 1.00 0.00 N ATOM 924 CA ARG A 63 -6.372 4.747 -10.533 1.00 0.00 C ATOM 925 C ARG A 63 -5.377 4.300 -11.607 1.00 0.00 C ATOM 926 O ARG A 63 -5.523 4.647 -12.777 1.00 0.00 O ATOM 927 CB ARG A 63 -5.698 5.768 -9.616 1.00 0.00 C ATOM 928 CG ARG A 63 -6.735 6.668 -8.941 1.00 0.00 C ATOM 929 CD ARG A 63 -6.119 7.427 -7.764 1.00 0.00 C ATOM 930 NE ARG A 63 -7.185 7.884 -6.843 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.889 9.011 -7.010 1.00 0.00 C ATOM 932 NH1 ARG A 63 -7.646 9.805 -8.063 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.836 9.346 -6.124 1.00 0.00 N ATOM 0 H ARG A 63 -6.892 3.740 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.236 5.215 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.112 5.249 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.003 6.378 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.134 7.377 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.573 6.065 -8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.419 6.783 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.551 8.283 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.396 7.304 -6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.924 9.551 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.183 10.663 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.021 8.743 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.372 10.204 -6.251 1.00 0.00 H new ATOM 944 N ARG A 64 -4.387 3.535 -11.168 1.00 0.00 N ATOM 945 CA ARG A 64 -3.368 3.038 -12.077 1.00 0.00 C ATOM 946 C ARG A 64 -4.017 2.317 -13.259 1.00 0.00 C ATOM 947 O ARG A 64 -3.497 2.352 -14.374 1.00 0.00 O ATOM 948 CB ARG A 64 -2.416 2.077 -11.362 1.00 0.00 C ATOM 949 CG ARG A 64 -1.443 2.838 -10.459 1.00 0.00 C ATOM 950 CD ARG A 64 -0.157 3.189 -11.211 1.00 0.00 C ATOM 951 NE ARG A 64 0.013 4.658 -11.265 1.00 0.00 N ATOM 952 CZ ARG A 64 0.974 5.279 -11.961 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.858 4.561 -12.669 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.053 6.616 -11.951 1.00 0.00 N ATOM 0 H ARG A 64 -4.269 3.248 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.799 3.894 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.990 1.367 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.858 1.498 -12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.916 3.750 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.204 2.233 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.700 2.734 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.194 2.782 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.644 5.234 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.798 3.543 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.590 5.033 -13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.381 7.163 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.785 7.088 -12.482 1.00 0.00 H new ATOM 965 N PHE A 65 -5.144 1.681 -12.977 1.00 0.00 N ATOM 966 CA PHE A 65 -5.870 0.952 -14.004 1.00 0.00 C ATOM 967 C PHE A 65 -4.907 0.254 -14.965 1.00 0.00 C ATOM 968 O PHE A 65 -4.719 -0.960 -14.889 1.00 0.00 O ATOM 969 CB PHE A 65 -6.695 1.979 -14.783 1.00 0.00 C ATOM 970 CG PHE A 65 -8.206 1.767 -14.685 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.819 0.864 -15.497 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.937 2.480 -13.788 1.00 0.00 C ATOM 973 CE1 PHE A 65 -10.223 0.667 -15.407 1.00 0.00 C ATOM 974 CE2 PHE A 65 -10.340 2.284 -13.698 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.953 1.381 -14.510 1.00 0.00 C ATOM 0 H PHE A 65 -5.573 1.655 -12.052 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.499 0.189 -13.545 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.454 2.977 -14.416 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.401 1.945 -15.832 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.239 0.297 -16.210 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.450 3.196 -13.143 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.710 -0.050 -16.051 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.920 2.851 -12.985 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.020 1.231 -14.442 1.00 0.00 H new