USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00097 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= 0.123 (180deg=-0.0957) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= -0.474 (180deg=-1.34) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.2!) USER MOD Single : A 54 THR OG1 : rot -1:sc= 0.708 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -142:sc= -0.0746 (180deg=-0.984) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.27) USER MOD Single : A 62 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-2.9) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -7.43! C(o=-8.5!,f=-7.4!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -93:sc= -0.457! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.547 -14.253 -2.907 1.00 0.00 N ATOM 2 CA MET A 1 -14.209 -15.404 -2.317 1.00 0.00 C ATOM 3 C MET A 1 -13.387 -15.976 -1.161 1.00 0.00 C ATOM 4 O MET A 1 -13.886 -16.106 -0.044 1.00 0.00 O ATOM 5 CB MET A 1 -14.407 -16.482 -3.385 1.00 0.00 C ATOM 6 CG MET A 1 -15.889 -16.827 -3.547 1.00 0.00 C ATOM 7 SD MET A 1 -16.144 -17.723 -5.070 1.00 0.00 S ATOM 8 CE MET A 1 -17.831 -18.258 -4.836 1.00 0.00 C ATOM 0 H1 MET A 1 -14.125 -13.883 -3.689 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.427 -13.514 -2.185 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.615 -14.537 -3.270 1.00 0.00 H new ATOM 0 HA MET A 1 -15.175 -15.084 -1.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.005 -16.135 -4.337 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.849 -17.377 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.226 -17.427 -2.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.485 -15.915 -3.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.153 -18.836 -5.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.895 -18.878 -3.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.476 -17.387 -4.721 1.00 0.00 H new ATOM 18 N SER A 2 -12.140 -16.303 -1.468 1.00 0.00 N ATOM 19 CA SER A 2 -11.244 -16.859 -0.468 1.00 0.00 C ATOM 20 C SER A 2 -10.841 -15.775 0.533 1.00 0.00 C ATOM 21 O SER A 2 -11.070 -15.917 1.733 1.00 0.00 O ATOM 22 CB SER A 2 -10.001 -17.467 -1.120 1.00 0.00 C ATOM 23 OG SER A 2 -9.423 -16.594 -2.087 1.00 0.00 O ATOM 0 H SER A 2 -11.729 -16.194 -2.395 1.00 0.00 H new ATOM 0 HA SER A 2 -11.771 -17.654 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.263 -17.695 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.267 -18.411 -1.597 1.00 0.00 H new ATOM 0 HG SER A 2 -8.631 -17.018 -2.479 1.00 0.00 H new ATOM 29 N THR A 3 -10.247 -14.715 0.003 1.00 0.00 N ATOM 30 CA THR A 3 -9.810 -13.608 0.836 1.00 0.00 C ATOM 31 C THR A 3 -10.894 -13.246 1.854 1.00 0.00 C ATOM 32 O THR A 3 -11.910 -12.650 1.498 1.00 0.00 O ATOM 33 CB THR A 3 -9.429 -12.447 -0.084 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.192 -12.854 -0.663 1.00 0.00 O ATOM 35 CG2 THR A 3 -9.076 -11.176 0.692 1.00 0.00 C ATOM 0 H THR A 3 -10.058 -14.600 -0.993 1.00 0.00 H new ATOM 0 HA THR A 3 -8.933 -13.878 1.424 1.00 0.00 H new ATOM 0 HB THR A 3 -10.254 -12.239 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.873 -12.159 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.813 -10.383 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.933 -10.864 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.230 -11.374 1.350 1.00 0.00 H new ATOM 43 N ASP A 4 -10.640 -13.620 3.099 1.00 0.00 N ATOM 44 CA ASP A 4 -11.581 -13.343 4.170 1.00 0.00 C ATOM 45 C ASP A 4 -11.920 -11.851 4.172 1.00 0.00 C ATOM 46 O ASP A 4 -11.025 -11.007 4.168 1.00 0.00 O ATOM 47 CB ASP A 4 -10.982 -13.693 5.534 1.00 0.00 C ATOM 48 CG ASP A 4 -12.005 -13.993 6.632 1.00 0.00 C ATOM 49 OD1 ASP A 4 -13.219 -13.839 6.433 1.00 0.00 O ATOM 50 OD2 ASP A 4 -11.503 -14.408 7.745 1.00 0.00 O ATOM 0 H ASP A 4 -9.796 -14.113 3.390 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.472 -13.948 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.332 -14.560 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.353 -12.865 5.861 1.00 0.00 H new ATOM 55 N THR A 5 -13.215 -11.571 4.177 1.00 0.00 N ATOM 56 CA THR A 5 -13.683 -10.195 4.179 1.00 0.00 C ATOM 57 C THR A 5 -13.248 -9.482 2.897 1.00 0.00 C ATOM 58 O THR A 5 -12.544 -8.474 2.952 1.00 0.00 O ATOM 59 CB THR A 5 -13.170 -9.523 5.453 1.00 0.00 C ATOM 60 OG1 THR A 5 -13.949 -10.108 6.493 1.00 0.00 O ATOM 61 CG2 THR A 5 -13.524 -8.035 5.514 1.00 0.00 C ATOM 0 H THR A 5 -13.955 -12.273 4.180 1.00 0.00 H new ATOM 0 HA THR A 5 -14.772 -10.147 4.186 1.00 0.00 H new ATOM 0 HB THR A 5 -12.088 -9.642 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.680 -9.729 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.137 -7.606 6.438 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.081 -7.520 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.607 -7.917 5.486 1.00 0.00 H new ATOM 69 N GLY A 6 -13.684 -10.033 1.774 1.00 0.00 N ATOM 70 CA GLY A 6 -13.348 -9.462 0.481 1.00 0.00 C ATOM 71 C GLY A 6 -13.748 -10.405 -0.656 1.00 0.00 C ATOM 72 O GLY A 6 -12.949 -11.233 -1.091 1.00 0.00 O ATOM 0 H GLY A 6 -14.267 -10.869 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.855 -8.505 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.277 -9.264 0.434 1.00 0.00 H new ATOM 76 N VAL A 7 -14.984 -10.248 -1.104 1.00 0.00 N ATOM 77 CA VAL A 7 -15.500 -11.075 -2.182 1.00 0.00 C ATOM 78 C VAL A 7 -15.890 -10.183 -3.362 1.00 0.00 C ATOM 79 O VAL A 7 -17.059 -10.123 -3.740 1.00 0.00 O ATOM 80 CB VAL A 7 -16.660 -11.934 -1.673 1.00 0.00 C ATOM 81 CG1 VAL A 7 -17.757 -11.064 -1.056 1.00 0.00 C ATOM 82 CG2 VAL A 7 -17.222 -12.814 -2.791 1.00 0.00 C ATOM 0 H VAL A 7 -15.644 -9.560 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.733 -11.764 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.274 -12.590 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -18.569 -11.699 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -17.346 -10.500 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.138 -10.372 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -18.045 -13.414 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.584 -12.184 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.438 -13.472 -3.165 1.00 0.00 H new ATOM 92 N SER A 8 -14.888 -9.512 -3.912 1.00 0.00 N ATOM 93 CA SER A 8 -15.112 -8.626 -5.041 1.00 0.00 C ATOM 94 C SER A 8 -16.058 -7.493 -4.639 1.00 0.00 C ATOM 95 O SER A 8 -17.277 -7.647 -4.698 1.00 0.00 O ATOM 96 CB SER A 8 -15.680 -9.392 -6.238 1.00 0.00 C ATOM 97 OG SER A 8 -14.877 -10.519 -6.581 1.00 0.00 O ATOM 0 H SER A 8 -13.919 -9.564 -3.596 1.00 0.00 H new ATOM 0 HA SER A 8 -14.153 -8.201 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.692 -9.725 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.751 -8.723 -7.096 1.00 0.00 H new ATOM 0 HG SER A 8 -15.274 -10.982 -7.348 1.00 0.00 H new ATOM 103 N LEU A 9 -15.461 -6.381 -4.238 1.00 0.00 N ATOM 104 CA LEU A 9 -16.235 -5.222 -3.825 1.00 0.00 C ATOM 105 C LEU A 9 -16.538 -4.355 -5.049 1.00 0.00 C ATOM 106 O LEU A 9 -15.743 -4.298 -5.986 1.00 0.00 O ATOM 107 CB LEU A 9 -15.518 -4.472 -2.701 1.00 0.00 C ATOM 108 CG LEU A 9 -15.920 -4.855 -1.276 1.00 0.00 C ATOM 109 CD1 LEU A 9 -14.687 -5.130 -0.413 1.00 0.00 C ATOM 110 CD2 LEU A 9 -16.827 -3.789 -0.657 1.00 0.00 C ATOM 0 H LEU A 9 -14.450 -6.257 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.193 -5.532 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.446 -4.633 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.695 -3.405 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.494 -5.780 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.001 -5.400 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.115 -5.950 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.065 -4.236 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.098 -4.086 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.300 -2.835 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.730 -3.685 -1.259 1.00 0.00 H new ATOM 122 N PRO A 10 -17.720 -3.684 -4.999 1.00 0.00 N ATOM 123 CA PRO A 10 -18.138 -2.822 -6.091 1.00 0.00 C ATOM 124 C PRO A 10 -17.352 -1.509 -6.085 1.00 0.00 C ATOM 125 O PRO A 10 -16.839 -1.084 -7.119 1.00 0.00 O ATOM 126 CB PRO A 10 -19.630 -2.622 -5.886 1.00 0.00 C ATOM 127 CG PRO A 10 -19.905 -2.992 -4.437 1.00 0.00 C ATOM 128 CD PRO A 10 -18.686 -3.728 -3.905 1.00 0.00 C ATOM 0 HA PRO A 10 -17.939 -3.258 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.917 -1.590 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -20.205 -3.251 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.100 -2.098 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.792 -3.621 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.292 -3.247 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.931 -4.755 -3.634 1.00 0.00 H new ATOM 136 N SER A 11 -17.283 -0.904 -4.909 1.00 0.00 N ATOM 137 CA SER A 11 -16.568 0.352 -4.755 1.00 0.00 C ATOM 138 C SER A 11 -15.067 0.128 -4.947 1.00 0.00 C ATOM 139 O SER A 11 -14.614 -1.012 -5.041 1.00 0.00 O ATOM 140 CB SER A 11 -16.840 0.976 -3.384 1.00 0.00 C ATOM 141 OG SER A 11 -17.988 1.821 -3.400 1.00 0.00 O ATOM 0 H SER A 11 -17.710 -1.260 -4.054 1.00 0.00 H new ATOM 0 HA SER A 11 -16.926 1.044 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.982 0.185 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.970 1.552 -3.069 1.00 0.00 H new ATOM 0 HG SER A 11 -18.129 2.198 -2.507 1.00 0.00 H new ATOM 147 N TYR A 12 -14.338 1.232 -5.001 1.00 0.00 N ATOM 148 CA TYR A 12 -12.897 1.170 -5.180 1.00 0.00 C ATOM 149 C TYR A 12 -12.534 0.343 -6.415 1.00 0.00 C ATOM 150 O TYR A 12 -13.398 -0.292 -7.018 1.00 0.00 O ATOM 151 CB TYR A 12 -12.347 0.473 -3.935 1.00 0.00 C ATOM 152 CG TYR A 12 -11.651 1.416 -2.951 1.00 0.00 C ATOM 153 CD1 TYR A 12 -10.510 2.092 -3.332 1.00 0.00 C ATOM 154 CD2 TYR A 12 -12.164 1.589 -1.681 1.00 0.00 C ATOM 155 CE1 TYR A 12 -9.856 2.979 -2.406 1.00 0.00 C ATOM 156 CE2 TYR A 12 -11.510 2.476 -0.755 1.00 0.00 C ATOM 157 CZ TYR A 12 -10.388 3.128 -1.163 1.00 0.00 C ATOM 158 OH TYR A 12 -9.769 3.965 -0.288 1.00 0.00 O ATOM 0 H TYR A 12 -14.718 2.175 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 12 -12.484 2.169 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -13.166 -0.031 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -11.641 -0.298 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.108 1.956 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -13.056 1.059 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.963 3.514 -2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.901 2.621 0.241 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.260 3.973 0.560 1.00 0.00 H new ATOM 168 N GLU A 13 -11.254 0.379 -6.756 1.00 0.00 N ATOM 169 CA GLU A 13 -10.766 -0.359 -7.908 1.00 0.00 C ATOM 170 C GLU A 13 -10.971 -1.862 -7.702 1.00 0.00 C ATOM 171 O GLU A 13 -11.173 -2.316 -6.577 1.00 0.00 O ATOM 172 CB GLU A 13 -9.295 -0.039 -8.182 1.00 0.00 C ATOM 173 CG GLU A 13 -8.405 -0.531 -7.038 1.00 0.00 C ATOM 174 CD GLU A 13 -7.390 -1.561 -7.538 1.00 0.00 C ATOM 175 OE1 GLU A 13 -6.581 -1.254 -8.426 1.00 0.00 O ATOM 176 OE2 GLU A 13 -7.460 -2.717 -6.968 1.00 0.00 O ATOM 0 H GLU A 13 -10.540 0.908 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.340 -0.050 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.985 -0.507 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.170 1.036 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.881 0.314 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.023 -0.973 -6.256 1.00 0.00 H new ATOM 183 N GLU A 14 -10.912 -2.592 -8.807 1.00 0.00 N ATOM 184 CA GLU A 14 -11.089 -4.033 -8.761 1.00 0.00 C ATOM 185 C GLU A 14 -9.968 -4.730 -9.536 1.00 0.00 C ATOM 186 O GLU A 14 -9.305 -4.111 -10.367 1.00 0.00 O ATOM 187 CB GLU A 14 -12.462 -4.434 -9.304 1.00 0.00 C ATOM 188 CG GLU A 14 -12.931 -5.753 -8.687 1.00 0.00 C ATOM 189 CD GLU A 14 -14.422 -5.981 -8.948 1.00 0.00 C ATOM 190 OE1 GLU A 14 -14.981 -5.404 -9.892 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.001 -6.791 -8.128 1.00 0.00 O ATOM 0 H GLU A 14 -10.744 -2.212 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.039 -4.353 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.186 -3.649 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.414 -4.532 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.355 -6.579 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.743 -5.743 -7.613 1.00 0.00 H new ATOM 198 N ASP A 15 -9.791 -6.008 -9.235 1.00 0.00 N ATOM 199 CA ASP A 15 -8.762 -6.796 -9.892 1.00 0.00 C ATOM 200 C ASP A 15 -9.099 -8.282 -9.757 1.00 0.00 C ATOM 201 O ASP A 15 -9.475 -8.741 -8.680 1.00 0.00 O ATOM 202 CB ASP A 15 -7.394 -6.561 -9.250 1.00 0.00 C ATOM 203 CG ASP A 15 -6.483 -5.590 -10.004 1.00 0.00 C ATOM 204 OD1 ASP A 15 -6.751 -4.381 -10.068 1.00 0.00 O ATOM 205 OD2 ASP A 15 -5.445 -6.128 -10.549 1.00 0.00 O ATOM 0 H ASP A 15 -10.343 -6.517 -8.545 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.725 -6.496 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.544 -6.183 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.883 -7.519 -9.160 1.00 0.00 H new ATOM 210 N GLN A 16 -8.951 -8.993 -10.865 1.00 0.00 N ATOM 211 CA GLN A 16 -9.235 -10.418 -10.884 1.00 0.00 C ATOM 212 C GLN A 16 -8.015 -11.208 -10.406 1.00 0.00 C ATOM 213 O GLN A 16 -6.891 -10.934 -10.822 1.00 0.00 O ATOM 214 CB GLN A 16 -9.670 -10.872 -12.278 1.00 0.00 C ATOM 215 CG GLN A 16 -10.575 -12.103 -12.196 1.00 0.00 C ATOM 216 CD GLN A 16 -11.954 -11.735 -11.645 1.00 0.00 C ATOM 217 OE1 GLN A 16 -12.710 -10.987 -12.242 1.00 0.00 O ATOM 218 NE2 GLN A 16 -12.238 -12.302 -10.476 1.00 0.00 N ATOM 0 H GLN A 16 -8.638 -8.609 -11.756 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.061 -10.613 -10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.198 -10.061 -12.780 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.791 -11.102 -12.880 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.682 -12.547 -13.186 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.113 -12.856 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.559 -12.919 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.135 -12.120 -10.025 1.00 0.00 H new ATOM 227 N GLY A 17 -8.279 -12.174 -9.538 1.00 0.00 N ATOM 228 CA GLY A 17 -7.217 -13.006 -8.998 1.00 0.00 C ATOM 229 C GLY A 17 -6.177 -13.331 -10.072 1.00 0.00 C ATOM 230 O GLY A 17 -5.004 -12.987 -9.930 1.00 0.00 O ATOM 0 H GLY A 17 -9.213 -12.399 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.737 -12.494 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.639 -13.930 -8.603 1.00 0.00 H new ATOM 234 N SER A 18 -6.643 -13.991 -11.122 1.00 0.00 N ATOM 235 CA SER A 18 -5.768 -14.367 -12.219 1.00 0.00 C ATOM 236 C SER A 18 -4.863 -13.192 -12.593 1.00 0.00 C ATOM 237 O SER A 18 -3.654 -13.358 -12.742 1.00 0.00 O ATOM 238 CB SER A 18 -6.575 -14.824 -13.436 1.00 0.00 C ATOM 239 OG SER A 18 -6.368 -16.203 -13.728 1.00 0.00 O ATOM 0 H SER A 18 -7.616 -14.275 -11.236 1.00 0.00 H new ATOM 0 HA SER A 18 -5.150 -15.203 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.635 -14.647 -13.255 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.295 -14.224 -14.302 1.00 0.00 H new ATOM 0 HG SER A 18 -6.902 -16.456 -14.510 1.00 0.00 H new ATOM 245 N LYS A 19 -5.484 -12.030 -12.734 1.00 0.00 N ATOM 246 CA LYS A 19 -4.750 -10.827 -13.087 1.00 0.00 C ATOM 247 C LYS A 19 -3.618 -10.611 -12.081 1.00 0.00 C ATOM 248 O LYS A 19 -2.487 -10.321 -12.466 1.00 0.00 O ATOM 249 CB LYS A 19 -5.701 -9.634 -13.209 1.00 0.00 C ATOM 250 CG LYS A 19 -5.081 -8.523 -14.058 1.00 0.00 C ATOM 251 CD LYS A 19 -6.047 -7.346 -14.209 1.00 0.00 C ATOM 252 CE LYS A 19 -5.302 -6.012 -14.128 1.00 0.00 C ATOM 253 NZ LYS A 19 -6.209 -4.939 -13.663 1.00 0.00 N ATOM 0 H LYS A 19 -6.488 -11.896 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.288 -10.938 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.640 -9.958 -13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.937 -9.250 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.155 -8.181 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.821 -8.914 -15.042 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.568 -7.418 -15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.806 -7.391 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.456 -6.102 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.897 -5.755 -15.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.687 -4.041 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.003 -4.843 -14.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.575 -5.179 -12.720 1.00 0.00 H new ATOM 267 N LEU A 20 -3.963 -10.760 -10.810 1.00 0.00 N ATOM 268 CA LEU A 20 -2.990 -10.585 -9.745 1.00 0.00 C ATOM 269 C LEU A 20 -1.883 -11.630 -9.895 1.00 0.00 C ATOM 270 O LEU A 20 -0.747 -11.400 -9.482 1.00 0.00 O ATOM 271 CB LEU A 20 -3.680 -10.611 -8.380 1.00 0.00 C ATOM 272 CG LEU A 20 -4.043 -9.249 -7.785 1.00 0.00 C ATOM 273 CD1 LEU A 20 -5.144 -9.386 -6.732 1.00 0.00 C ATOM 274 CD2 LEU A 20 -2.804 -8.544 -7.231 1.00 0.00 C ATOM 0 H LEU A 20 -4.903 -11.000 -10.494 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.516 -9.606 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.592 -11.202 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.030 -11.131 -7.676 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.439 -8.622 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.383 -8.403 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.035 -9.815 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.800 -10.037 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.091 -7.578 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.355 -9.158 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.082 -8.393 -8.034 1.00 0.00 H new ATOM 286 N ILE A 21 -2.252 -12.756 -10.487 1.00 0.00 N ATOM 287 CA ILE A 21 -1.305 -13.838 -10.696 1.00 0.00 C ATOM 288 C ILE A 21 -0.498 -13.564 -11.967 1.00 0.00 C ATOM 289 O ILE A 21 0.586 -14.117 -12.150 1.00 0.00 O ATOM 290 CB ILE A 21 -2.025 -15.188 -10.703 1.00 0.00 C ATOM 291 CG1 ILE A 21 -2.580 -15.520 -9.316 1.00 0.00 C ATOM 292 CG2 ILE A 21 -1.111 -16.294 -11.235 1.00 0.00 C ATOM 293 CD1 ILE A 21 -3.758 -16.490 -9.416 1.00 0.00 C ATOM 0 H ILE A 21 -3.195 -12.943 -10.829 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.595 -13.887 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.875 -15.119 -11.382 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.794 -15.959 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.900 -14.604 -8.819 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.647 -17.243 -11.229 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.806 -16.055 -12.254 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.228 -16.372 -10.601 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.134 -16.710 -8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.552 -16.038 -10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.429 -17.414 -9.891 1.00 0.00 H new ATOM 305 N ARG A 22 -1.058 -12.712 -12.813 1.00 0.00 N ATOM 306 CA ARG A 22 -0.405 -12.359 -14.062 1.00 0.00 C ATOM 307 C ARG A 22 0.910 -11.627 -13.784 1.00 0.00 C ATOM 308 O ARG A 22 1.964 -12.031 -14.274 1.00 0.00 O ATOM 309 CB ARG A 22 -1.304 -11.469 -14.921 1.00 0.00 C ATOM 310 CG ARG A 22 -1.439 -12.030 -16.338 1.00 0.00 C ATOM 311 CD ARG A 22 -0.470 -11.337 -17.298 1.00 0.00 C ATOM 312 NE ARG A 22 -0.144 -12.237 -18.426 1.00 0.00 N ATOM 313 CZ ARG A 22 0.350 -11.817 -19.610 1.00 0.00 C ATOM 314 NH1 ARG A 22 0.580 -10.505 -19.831 1.00 0.00 N ATOM 315 NH2 ARG A 22 0.606 -12.709 -20.549 1.00 0.00 N ATOM 0 H ARG A 22 -1.957 -12.256 -12.658 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.204 -13.283 -14.604 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.289 -11.391 -14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.891 -10.461 -14.963 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.242 -13.102 -16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.462 -11.897 -16.690 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.915 -10.416 -17.674 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.442 -11.058 -16.769 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.302 -13.237 -18.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.380 -9.822 -19.100 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.953 -10.197 -20.729 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.430 -13.698 -20.374 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.980 -12.409 -21.449 1.00 0.00 H new ATOM 329 N LYS A 23 0.805 -10.565 -13.000 1.00 0.00 N ATOM 330 CA LYS A 23 1.973 -9.773 -12.652 1.00 0.00 C ATOM 331 C LYS A 23 2.651 -10.386 -11.425 1.00 0.00 C ATOM 332 O LYS A 23 2.038 -11.163 -10.695 1.00 0.00 O ATOM 333 CB LYS A 23 1.589 -8.303 -12.473 1.00 0.00 C ATOM 334 CG LYS A 23 0.773 -8.101 -11.195 1.00 0.00 C ATOM 335 CD LYS A 23 -0.723 -8.274 -11.467 1.00 0.00 C ATOM 336 CE LYS A 23 -1.539 -7.200 -10.744 1.00 0.00 C ATOM 337 NZ LYS A 23 -2.645 -6.724 -11.605 1.00 0.00 N ATOM 0 H LYS A 23 -0.071 -10.234 -12.595 1.00 0.00 H new ATOM 0 HA LYS A 23 2.702 -9.791 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.490 -7.690 -12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.012 -7.967 -13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.094 -8.816 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.961 -7.105 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.910 -8.218 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.044 -9.263 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.941 -7.604 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.894 -6.364 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.485 -5.728 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.682 -7.298 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.546 -6.811 -11.093 1.00 0.00 H new ATOM 351 N ALA A 24 3.908 -10.012 -11.235 1.00 0.00 N ATOM 352 CA ALA A 24 4.676 -10.515 -10.109 1.00 0.00 C ATOM 353 C ALA A 24 4.645 -9.487 -8.976 1.00 0.00 C ATOM 354 O ALA A 24 5.468 -8.573 -8.940 1.00 0.00 O ATOM 355 CB ALA A 24 6.101 -10.837 -10.566 1.00 0.00 C ATOM 0 H ALA A 24 4.414 -9.367 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 24 4.239 -11.438 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.677 -11.214 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.069 -11.593 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.572 -9.933 -10.952 1.00 0.00 H new ATOM 361 N LYS A 25 3.688 -9.671 -8.079 1.00 0.00 N ATOM 362 CA LYS A 25 3.539 -8.771 -6.948 1.00 0.00 C ATOM 363 C LYS A 25 2.438 -9.296 -6.025 1.00 0.00 C ATOM 364 O LYS A 25 1.279 -8.904 -6.148 1.00 0.00 O ATOM 365 CB LYS A 25 3.304 -7.338 -7.431 1.00 0.00 C ATOM 366 CG LYS A 25 2.037 -7.247 -8.283 1.00 0.00 C ATOM 367 CD LYS A 25 1.089 -6.174 -7.744 1.00 0.00 C ATOM 368 CE LYS A 25 1.550 -4.776 -8.160 1.00 0.00 C ATOM 369 NZ LYS A 25 2.640 -4.305 -7.276 1.00 0.00 N ATOM 0 H LYS A 25 3.008 -10.430 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 25 4.458 -8.740 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.218 -6.671 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.162 -7.001 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.304 -7.016 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.531 -8.212 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.081 -6.354 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.043 -6.237 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.894 -4.793 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.711 -4.081 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.625 -3.266 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.506 -4.696 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.555 -4.621 -7.655 1.00 0.00 H new ATOM 383 N GLU A 26 2.840 -10.177 -5.120 1.00 0.00 N ATOM 384 CA GLU A 26 1.902 -10.761 -4.176 1.00 0.00 C ATOM 385 C GLU A 26 2.654 -11.388 -3.000 1.00 0.00 C ATOM 386 O GLU A 26 2.457 -10.993 -1.852 1.00 0.00 O ATOM 387 CB GLU A 26 1.002 -11.790 -4.863 1.00 0.00 C ATOM 388 CG GLU A 26 1.825 -12.752 -5.722 1.00 0.00 C ATOM 389 CD GLU A 26 1.005 -13.270 -6.905 1.00 0.00 C ATOM 390 OE1 GLU A 26 0.533 -12.473 -7.729 1.00 0.00 O ATOM 391 OE2 GLU A 26 0.865 -14.552 -6.952 1.00 0.00 O ATOM 0 H GLU A 26 3.802 -10.500 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 26 1.262 -9.967 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.447 -12.352 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.268 -11.278 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.718 -12.245 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.162 -13.591 -5.113 1.00 0.00 H new ATOM 398 N ALA A 27 3.498 -12.355 -3.327 1.00 0.00 N ATOM 399 CA ALA A 27 4.280 -13.040 -2.312 1.00 0.00 C ATOM 400 C ALA A 27 5.477 -12.171 -1.923 1.00 0.00 C ATOM 401 O ALA A 27 5.648 -11.831 -0.753 1.00 0.00 O ATOM 402 CB ALA A 27 4.703 -14.415 -2.835 1.00 0.00 C ATOM 0 H ALA A 27 3.658 -12.681 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 27 3.685 -13.202 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.290 -14.929 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.816 -15.004 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.305 -14.292 -3.735 1.00 0.00 H new ATOM 408 N PRO A 28 6.296 -11.826 -2.953 1.00 0.00 N ATOM 409 CA PRO A 28 7.472 -11.002 -2.730 1.00 0.00 C ATOM 410 C PRO A 28 7.082 -9.540 -2.504 1.00 0.00 C ATOM 411 O PRO A 28 6.217 -9.009 -3.200 1.00 0.00 O ATOM 412 CB PRO A 28 8.333 -11.203 -3.966 1.00 0.00 C ATOM 413 CG PRO A 28 7.405 -11.759 -5.034 1.00 0.00 C ATOM 414 CD PRO A 28 6.124 -12.209 -4.351 1.00 0.00 C ATOM 0 HA PRO A 28 8.019 -11.284 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.780 -10.262 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.153 -11.892 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.190 -11.000 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.876 -12.595 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.251 -11.726 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.978 -13.284 -4.452 1.00 0.00 H new ATOM 422 N PHE A 29 7.740 -8.929 -1.529 1.00 0.00 N ATOM 423 CA PHE A 29 7.473 -7.539 -1.203 1.00 0.00 C ATOM 424 C PHE A 29 8.380 -6.604 -2.005 1.00 0.00 C ATOM 425 O PHE A 29 8.186 -5.389 -1.998 1.00 0.00 O ATOM 426 CB PHE A 29 7.771 -7.364 0.288 1.00 0.00 C ATOM 427 CG PHE A 29 9.242 -7.080 0.599 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.145 -8.097 0.602 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.647 -5.811 0.872 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.510 -7.834 0.891 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.012 -5.548 1.161 1.00 0.00 C ATOM 432 CZ PHE A 29 11.915 -6.565 1.164 1.00 0.00 C ATOM 0 H PHE A 29 8.457 -9.372 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 29 6.439 -7.293 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.164 -6.546 0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.466 -8.267 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.824 -9.105 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.930 -5.003 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.227 -8.642 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.333 -4.540 1.379 1.00 0.00 H new ATOM 0 HZ PHE A 29 12.953 -6.365 1.383 1.00 0.00 H new ATOM 442 N VAL A 30 9.349 -7.205 -2.678 1.00 0.00 N ATOM 443 CA VAL A 30 10.287 -6.442 -3.484 1.00 0.00 C ATOM 444 C VAL A 30 9.516 -5.423 -4.326 1.00 0.00 C ATOM 445 O VAL A 30 9.833 -4.234 -4.312 1.00 0.00 O ATOM 446 CB VAL A 30 11.144 -7.388 -4.327 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.291 -6.865 -5.758 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.512 -7.610 -3.681 1.00 0.00 C ATOM 0 H VAL A 30 9.505 -8.213 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 30 10.974 -5.885 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 30 10.635 -8.351 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.905 -7.556 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.306 -6.782 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.767 -5.885 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.101 -8.286 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.031 -6.656 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.380 -8.047 -2.691 1.00 0.00 H new ATOM 458 N PRO A 31 8.492 -5.938 -5.057 1.00 0.00 N ATOM 459 CA PRO A 31 7.674 -5.086 -5.903 1.00 0.00 C ATOM 460 C PRO A 31 6.702 -4.253 -5.066 1.00 0.00 C ATOM 461 O PRO A 31 6.224 -3.213 -5.516 1.00 0.00 O ATOM 462 CB PRO A 31 6.971 -6.038 -6.857 1.00 0.00 C ATOM 463 CG PRO A 31 7.059 -7.413 -6.215 1.00 0.00 C ATOM 464 CD PRO A 31 8.088 -7.340 -5.098 1.00 0.00 C ATOM 0 HA PRO A 31 8.262 -4.352 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.932 -5.743 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.449 -6.033 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.088 -7.713 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.349 -8.161 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.662 -7.657 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.938 -7.991 -5.300 1.00 0.00 H new ATOM 472 N VAL A 32 6.438 -4.741 -3.863 1.00 0.00 N ATOM 473 CA VAL A 32 5.531 -4.055 -2.959 1.00 0.00 C ATOM 474 C VAL A 32 6.161 -2.731 -2.520 1.00 0.00 C ATOM 475 O VAL A 32 5.507 -1.690 -2.547 1.00 0.00 O ATOM 476 CB VAL A 32 5.176 -4.966 -1.782 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.333 -4.220 -0.746 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.461 -6.230 -2.264 1.00 0.00 C ATOM 0 H VAL A 32 6.837 -5.604 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 32 4.594 -3.819 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 32 6.106 -5.270 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.095 -4.890 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.893 -3.364 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.410 -3.873 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.220 -6.860 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.542 -5.953 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.111 -6.778 -2.946 1.00 0.00 H new ATOM 488 N GLY A 33 7.423 -2.814 -2.127 1.00 0.00 N ATOM 489 CA GLY A 33 8.149 -1.636 -1.683 1.00 0.00 C ATOM 490 C GLY A 33 8.493 -0.727 -2.865 1.00 0.00 C ATOM 491 O GLY A 33 8.190 0.464 -2.846 1.00 0.00 O ATOM 0 H GLY A 33 7.962 -3.680 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.548 -1.086 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.064 -1.939 -1.174 1.00 0.00 H new ATOM 495 N ILE A 34 9.123 -1.325 -3.866 1.00 0.00 N ATOM 496 CA ILE A 34 9.512 -0.585 -5.054 1.00 0.00 C ATOM 497 C ILE A 34 8.280 0.098 -5.651 1.00 0.00 C ATOM 498 O ILE A 34 8.194 1.325 -5.671 1.00 0.00 O ATOM 499 CB ILE A 34 10.245 -1.498 -6.038 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.570 -1.988 -5.449 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.440 -0.805 -7.389 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.124 -3.167 -6.252 1.00 0.00 C ATOM 0 H ILE A 34 9.374 -2.314 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 34 10.220 0.202 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 34 9.626 -2.378 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.294 -1.173 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.422 -2.287 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.964 -1.476 -8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.468 -0.547 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 34 11.028 0.103 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.066 -3.496 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.408 -3.989 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.293 -2.857 -7.283 1.00 0.00 H new ATOM 514 N ALA A 35 7.356 -0.726 -6.122 1.00 0.00 N ATOM 515 CA ALA A 35 6.132 -0.216 -6.718 1.00 0.00 C ATOM 516 C ALA A 35 5.407 0.669 -5.703 1.00 0.00 C ATOM 517 O ALA A 35 5.175 1.850 -5.958 1.00 0.00 O ATOM 518 CB ALA A 35 5.269 -1.387 -7.192 1.00 0.00 C ATOM 0 H ALA A 35 7.430 -1.743 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 35 6.356 0.398 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.351 -1.005 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.819 -1.968 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.021 -2.024 -6.343 1.00 0.00 H new ATOM 524 N GLY A 36 5.068 0.065 -4.574 1.00 0.00 N ATOM 525 CA GLY A 36 4.373 0.784 -3.519 1.00 0.00 C ATOM 526 C GLY A 36 4.892 2.219 -3.400 1.00 0.00 C ATOM 527 O GLY A 36 4.107 3.159 -3.284 1.00 0.00 O ATOM 0 H GLY A 36 5.262 -0.915 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.303 0.796 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.508 0.265 -2.570 1.00 0.00 H new ATOM 531 N PHE A 37 6.211 2.342 -3.434 1.00 0.00 N ATOM 532 CA PHE A 37 6.843 3.646 -3.332 1.00 0.00 C ATOM 533 C PHE A 37 6.494 4.521 -4.537 1.00 0.00 C ATOM 534 O PHE A 37 5.996 5.634 -4.377 1.00 0.00 O ATOM 535 CB PHE A 37 8.355 3.409 -3.309 1.00 0.00 C ATOM 536 CG PHE A 37 8.976 3.486 -1.913 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.762 4.579 -1.133 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.743 2.462 -1.453 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.338 4.651 0.163 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.320 2.533 -0.158 1.00 0.00 C ATOM 541 CZ PHE A 37 10.105 3.626 0.623 1.00 0.00 C ATOM 0 H PHE A 37 6.859 1.560 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 37 6.497 4.158 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.565 2.428 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.838 4.146 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.154 5.393 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.913 1.594 -2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.167 5.519 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.929 1.720 0.207 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.543 3.680 1.609 1.00 0.00 H new ATOM 551 N ALA A 38 6.768 3.985 -5.717 1.00 0.00 N ATOM 552 CA ALA A 38 6.489 4.703 -6.949 1.00 0.00 C ATOM 553 C ALA A 38 5.022 5.137 -6.960 1.00 0.00 C ATOM 554 O ALA A 38 4.724 6.328 -7.028 1.00 0.00 O ATOM 555 CB ALA A 38 6.845 3.820 -8.147 1.00 0.00 C ATOM 0 H ALA A 38 7.181 3.061 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 38 7.100 5.603 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.636 4.359 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.904 3.564 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.250 2.908 -8.116 1.00 0.00 H new ATOM 561 N ALA A 39 4.145 4.146 -6.892 1.00 0.00 N ATOM 562 CA ALA A 39 2.716 4.411 -6.893 1.00 0.00 C ATOM 563 C ALA A 39 2.395 5.461 -5.827 1.00 0.00 C ATOM 564 O ALA A 39 1.876 6.531 -6.142 1.00 0.00 O ATOM 565 CB ALA A 39 1.954 3.103 -6.670 1.00 0.00 C ATOM 0 H ALA A 39 4.396 3.159 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 39 2.401 4.812 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.882 3.302 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.194 2.402 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.243 2.673 -5.711 1.00 0.00 H new ATOM 571 N ILE A 40 2.717 5.118 -4.589 1.00 0.00 N ATOM 572 CA ILE A 40 2.470 6.018 -3.475 1.00 0.00 C ATOM 573 C ILE A 40 2.806 7.450 -3.897 1.00 0.00 C ATOM 574 O ILE A 40 1.955 8.335 -3.835 1.00 0.00 O ATOM 575 CB ILE A 40 3.226 5.550 -2.230 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.530 4.349 -1.585 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.418 6.701 -1.240 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.490 3.587 -0.669 1.00 0.00 C ATOM 0 H ILE A 40 3.147 4.229 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 40 1.415 6.005 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 40 4.219 5.220 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.667 4.689 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.155 3.682 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.958 6.341 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.988 7.499 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.444 7.084 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.971 2.739 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.340 3.228 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.844 4.251 0.120 1.00 0.00 H new ATOM 590 N VAL A 41 4.050 7.632 -4.317 1.00 0.00 N ATOM 591 CA VAL A 41 4.509 8.941 -4.749 1.00 0.00 C ATOM 592 C VAL A 41 3.456 9.570 -5.664 1.00 0.00 C ATOM 593 O VAL A 41 2.967 10.665 -5.392 1.00 0.00 O ATOM 594 CB VAL A 41 5.882 8.820 -5.413 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.205 10.069 -6.236 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.972 8.552 -4.374 1.00 0.00 C ATOM 0 H VAL A 41 4.753 6.895 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 41 4.633 9.604 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 41 5.851 7.969 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.186 9.957 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.451 10.198 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.208 10.943 -5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.938 8.470 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.002 9.373 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.754 7.621 -3.850 1.00 0.00 H new ATOM 606 N ALA A 42 3.137 8.850 -6.729 1.00 0.00 N ATOM 607 CA ALA A 42 2.151 9.323 -7.685 1.00 0.00 C ATOM 608 C ALA A 42 0.878 9.729 -6.940 1.00 0.00 C ATOM 609 O ALA A 42 0.457 10.883 -7.006 1.00 0.00 O ATOM 610 CB ALA A 42 1.893 8.238 -8.733 1.00 0.00 C ATOM 0 H ALA A 42 3.544 7.942 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 42 2.519 10.203 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.153 8.593 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.822 8.007 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.520 7.339 -8.242 1.00 0.00 H new ATOM 616 N TYR A 43 0.301 8.758 -6.248 1.00 0.00 N ATOM 617 CA TYR A 43 -0.916 8.999 -5.491 1.00 0.00 C ATOM 618 C TYR A 43 -0.845 10.337 -4.752 1.00 0.00 C ATOM 619 O TYR A 43 -1.668 11.221 -4.980 1.00 0.00 O ATOM 620 CB TYR A 43 -1.006 7.868 -4.465 1.00 0.00 C ATOM 621 CG TYR A 43 -2.438 7.458 -4.116 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.083 6.496 -4.867 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.084 8.048 -3.049 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.431 6.110 -4.538 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.431 7.662 -2.720 1.00 0.00 C ATOM 626 CZ TYR A 43 -5.038 6.712 -3.481 1.00 0.00 C ATOM 627 OH TYR A 43 -6.311 6.348 -3.170 1.00 0.00 O ATOM 0 H TYR A 43 0.654 7.802 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.780 9.031 -6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.474 6.998 -4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.495 8.177 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.577 6.033 -5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.579 8.800 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.948 5.359 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.948 8.116 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.617 6.859 -2.392 1.00 0.00 H new ATOM 637 N GLY A 44 0.147 10.443 -3.880 1.00 0.00 N ATOM 638 CA GLY A 44 0.337 11.658 -3.106 1.00 0.00 C ATOM 639 C GLY A 44 0.383 12.887 -4.016 1.00 0.00 C ATOM 640 O GLY A 44 -0.421 13.806 -3.865 1.00 0.00 O ATOM 0 H GLY A 44 0.828 9.707 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.474 11.765 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.263 11.589 -2.535 1.00 0.00 H new ATOM 644 N LEU A 45 1.332 12.864 -4.940 1.00 0.00 N ATOM 645 CA LEU A 45 1.493 13.964 -5.875 1.00 0.00 C ATOM 646 C LEU A 45 0.114 14.451 -6.326 1.00 0.00 C ATOM 647 O LEU A 45 -0.169 15.647 -6.286 1.00 0.00 O ATOM 648 CB LEU A 45 2.409 13.556 -7.030 1.00 0.00 C ATOM 649 CG LEU A 45 3.810 14.171 -7.025 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.833 13.199 -6.433 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.209 14.641 -8.425 1.00 0.00 C ATOM 0 H LEU A 45 1.997 12.101 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 45 1.986 14.807 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.510 12.471 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.920 13.823 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 45 3.793 15.052 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.820 13.660 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.554 12.957 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.854 12.286 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.209 15.074 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.203 13.792 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.500 15.392 -8.773 1.00 0.00 H new ATOM 663 N TYR A 46 -0.706 13.499 -6.745 1.00 0.00 N ATOM 664 CA TYR A 46 -2.048 13.816 -7.203 1.00 0.00 C ATOM 665 C TYR A 46 -2.884 14.421 -6.074 1.00 0.00 C ATOM 666 O TYR A 46 -3.548 15.439 -6.265 1.00 0.00 O ATOM 667 CB TYR A 46 -2.674 12.486 -7.628 1.00 0.00 C ATOM 668 CG TYR A 46 -4.018 12.631 -8.345 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.186 12.698 -7.614 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.061 12.695 -9.723 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.451 12.835 -8.289 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.325 12.832 -10.398 1.00 0.00 C ATOM 673 CZ TYR A 46 -6.458 12.895 -9.648 1.00 0.00 C ATOM 674 OH TYR A 46 -7.652 13.024 -10.285 1.00 0.00 O ATOM 0 H TYR A 46 -0.467 12.508 -6.777 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.014 14.541 -8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.979 11.962 -8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.811 11.862 -6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.152 12.648 -6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.146 12.642 -10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.373 12.889 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.373 12.884 -11.476 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.504 13.055 -11.253 1.00 0.00 H new ATOM 684 N LYS A 47 -2.825 13.769 -4.922 1.00 0.00 N ATOM 685 CA LYS A 47 -3.569 14.231 -3.762 1.00 0.00 C ATOM 686 C LYS A 47 -3.244 15.704 -3.506 1.00 0.00 C ATOM 687 O LYS A 47 -4.147 16.523 -3.345 1.00 0.00 O ATOM 688 CB LYS A 47 -3.301 13.324 -2.559 1.00 0.00 C ATOM 689 CG LYS A 47 -4.478 12.378 -2.312 1.00 0.00 C ATOM 690 CD LYS A 47 -4.665 12.114 -0.817 1.00 0.00 C ATOM 691 CE LYS A 47 -5.017 10.647 -0.559 1.00 0.00 C ATOM 692 NZ LYS A 47 -4.125 10.075 0.474 1.00 0.00 N ATOM 0 H LYS A 47 -2.274 12.925 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.641 14.169 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.394 12.744 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.127 13.933 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.389 12.810 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.307 11.436 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.751 12.372 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.455 12.755 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.055 10.567 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.926 10.077 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.377 9.079 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.138 10.134 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.232 10.609 1.360 1.00 0.00 H new ATOM 706 N LEU A 48 -1.952 15.995 -3.476 1.00 0.00 N ATOM 707 CA LEU A 48 -1.497 17.356 -3.243 1.00 0.00 C ATOM 708 C LEU A 48 -2.374 18.325 -4.037 1.00 0.00 C ATOM 709 O LEU A 48 -3.023 19.197 -3.460 1.00 0.00 O ATOM 710 CB LEU A 48 -0.004 17.482 -3.552 1.00 0.00 C ATOM 711 CG LEU A 48 0.792 18.421 -2.644 1.00 0.00 C ATOM 712 CD1 LEU A 48 0.254 19.851 -2.728 1.00 0.00 C ATOM 713 CD2 LEU A 48 0.817 17.902 -1.205 1.00 0.00 C ATOM 0 H LEU A 48 -1.206 15.312 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.604 17.619 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.443 16.490 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.106 17.824 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 48 1.823 18.443 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.837 20.498 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.331 20.209 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.790 19.866 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.389 18.588 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.203 17.831 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.282 16.916 -1.182 1.00 0.00 H new ATOM 725 N LYS A 49 -2.366 18.141 -5.350 1.00 0.00 N ATOM 726 CA LYS A 49 -3.152 18.989 -6.229 1.00 0.00 C ATOM 727 C LYS A 49 -4.639 18.781 -5.936 1.00 0.00 C ATOM 728 O LYS A 49 -5.108 17.646 -5.864 1.00 0.00 O ATOM 729 CB LYS A 49 -2.773 18.742 -7.691 1.00 0.00 C ATOM 730 CG LYS A 49 -2.404 20.052 -8.391 1.00 0.00 C ATOM 731 CD LYS A 49 -3.657 20.815 -8.822 1.00 0.00 C ATOM 732 CE LYS A 49 -3.401 22.323 -8.844 1.00 0.00 C ATOM 733 NZ LYS A 49 -4.680 23.066 -8.886 1.00 0.00 N ATOM 0 H LYS A 49 -1.827 17.417 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.933 20.040 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.932 18.050 -7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.606 18.270 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.809 20.672 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.785 19.841 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.968 20.481 -9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.476 20.592 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.833 22.614 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.795 22.582 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.488 24.088 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.208 22.801 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.245 22.832 -8.045 1.00 0.00 H new ATOM 747 N SER A 50 -5.339 19.894 -5.774 1.00 0.00 N ATOM 748 CA SER A 50 -6.763 19.848 -5.490 1.00 0.00 C ATOM 749 C SER A 50 -7.561 20.063 -6.778 1.00 0.00 C ATOM 750 O SER A 50 -7.446 21.107 -7.417 1.00 0.00 O ATOM 751 CB SER A 50 -7.151 20.896 -4.445 1.00 0.00 C ATOM 752 OG SER A 50 -8.492 20.730 -3.993 1.00 0.00 O ATOM 0 H SER A 50 -4.946 20.833 -5.834 1.00 0.00 H new ATOM 0 HA SER A 50 -6.998 18.864 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.471 20.829 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.033 21.893 -4.870 1.00 0.00 H new ATOM 0 HG SER A 50 -8.700 21.417 -3.326 1.00 0.00 H new ATOM 758 N ARG A 51 -8.352 19.056 -7.121 1.00 0.00 N ATOM 759 CA ARG A 51 -9.168 19.122 -8.321 1.00 0.00 C ATOM 760 C ARG A 51 -10.509 18.421 -8.090 1.00 0.00 C ATOM 761 O ARG A 51 -11.567 19.021 -8.272 1.00 0.00 O ATOM 762 CB ARG A 51 -8.457 18.468 -9.507 1.00 0.00 C ATOM 763 CG ARG A 51 -7.943 19.524 -10.488 1.00 0.00 C ATOM 764 CD ARG A 51 -8.713 19.466 -11.809 1.00 0.00 C ATOM 765 NE ARG A 51 -9.947 20.278 -11.712 1.00 0.00 N ATOM 766 CZ ARG A 51 -11.002 20.154 -12.545 1.00 0.00 C ATOM 767 NH1 ARG A 51 -10.982 19.248 -13.546 1.00 0.00 N ATOM 768 NH2 ARG A 51 -12.053 20.931 -12.366 1.00 0.00 N ATOM 0 H ARG A 51 -8.445 18.191 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.338 20.174 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.624 17.864 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.143 17.793 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.045 20.516 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.881 19.366 -10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.087 19.836 -12.621 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.966 18.433 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.004 20.975 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.166 18.651 -13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.783 19.161 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.060 21.613 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.859 20.850 -12.986 1.00 0.00 H new ATOM 782 N GLY A 52 -10.420 17.160 -7.691 1.00 0.00 N ATOM 783 CA GLY A 52 -11.613 16.371 -7.433 1.00 0.00 C ATOM 784 C GLY A 52 -12.122 16.598 -6.008 1.00 0.00 C ATOM 785 O GLY A 52 -12.282 17.738 -5.576 1.00 0.00 O ATOM 0 H GLY A 52 -9.541 16.666 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.391 16.638 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.393 15.314 -7.581 1.00 0.00 H new ATOM 789 N ASN A 53 -12.363 15.493 -5.318 1.00 0.00 N ATOM 790 CA ASN A 53 -12.850 15.556 -3.951 1.00 0.00 C ATOM 791 C ASN A 53 -12.026 14.609 -3.076 1.00 0.00 C ATOM 792 O ASN A 53 -12.294 13.409 -3.030 1.00 0.00 O ATOM 793 CB ASN A 53 -14.315 15.122 -3.868 1.00 0.00 C ATOM 794 CG ASN A 53 -15.164 16.185 -3.168 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.691 17.246 -2.793 1.00 0.00 O ATOM 796 ND2 ASN A 53 -16.439 15.843 -3.012 1.00 0.00 N ATOM 0 H ASN A 53 -12.230 14.549 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.759 16.587 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.703 14.945 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.388 14.179 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.087 16.485 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.769 14.939 -3.349 1.00 0.00 H new ATOM 803 N THR A 54 -11.041 15.185 -2.402 1.00 0.00 N ATOM 804 CA THR A 54 -10.177 14.407 -1.530 1.00 0.00 C ATOM 805 C THR A 54 -9.637 15.281 -0.397 1.00 0.00 C ATOM 806 O THR A 54 -9.331 16.455 -0.605 1.00 0.00 O ATOM 807 CB THR A 54 -9.078 13.781 -2.391 1.00 0.00 C ATOM 808 OG1 THR A 54 -9.741 12.733 -3.093 1.00 0.00 O ATOM 809 CG2 THR A 54 -8.020 13.058 -1.555 1.00 0.00 C ATOM 0 H THR A 54 -10.822 16.180 -2.442 1.00 0.00 H new ATOM 0 HA THR A 54 -10.727 13.602 -1.043 1.00 0.00 H new ATOM 0 HB THR A 54 -8.600 14.557 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.680 12.696 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.264 12.632 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.549 13.766 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.492 12.260 -0.981 1.00 0.00 H new ATOM 817 N LYS A 55 -9.536 14.676 0.778 1.00 0.00 N ATOM 818 CA LYS A 55 -9.038 15.385 1.944 1.00 0.00 C ATOM 819 C LYS A 55 -7.629 14.889 2.274 1.00 0.00 C ATOM 820 O LYS A 55 -7.305 13.726 2.036 1.00 0.00 O ATOM 821 CB LYS A 55 -10.023 15.259 3.108 1.00 0.00 C ATOM 822 CG LYS A 55 -10.206 16.601 3.819 1.00 0.00 C ATOM 823 CD LYS A 55 -11.327 16.523 4.858 1.00 0.00 C ATOM 824 CE LYS A 55 -12.252 17.738 4.759 1.00 0.00 C ATOM 825 NZ LYS A 55 -12.865 18.031 6.074 1.00 0.00 N ATOM 0 H LYS A 55 -9.791 13.703 0.947 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.960 16.452 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.985 14.905 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.661 14.514 3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.274 16.889 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.436 17.376 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.903 15.610 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.897 16.469 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.688 18.604 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.032 17.550 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.490 18.858 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.419 17.209 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.117 18.232 6.769 1.00 0.00 H new ATOM 839 N MET A 56 -6.829 15.795 2.817 1.00 0.00 N ATOM 840 CA MET A 56 -5.462 15.464 3.182 1.00 0.00 C ATOM 841 C MET A 56 -4.774 16.649 3.862 1.00 0.00 C ATOM 842 O MET A 56 -4.222 17.519 3.191 1.00 0.00 O ATOM 843 CB MET A 56 -4.680 15.069 1.928 1.00 0.00 C ATOM 844 CG MET A 56 -3.324 14.464 2.296 1.00 0.00 C ATOM 845 SD MET A 56 -2.067 15.055 1.174 1.00 0.00 S ATOM 846 CE MET A 56 -1.223 13.522 0.819 1.00 0.00 C ATOM 0 H MET A 56 -7.101 16.758 3.013 1.00 0.00 H new ATOM 0 HA MET A 56 -5.485 14.630 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.257 14.350 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.532 15.945 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.063 14.731 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.378 13.376 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.151 13.705 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.416 12.807 1.618 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.586 13.117 -0.126 1.00 0.00 H new ATOM 856 N SER A 57 -4.829 16.644 5.186 1.00 0.00 N ATOM 857 CA SER A 57 -4.217 17.708 5.964 1.00 0.00 C ATOM 858 C SER A 57 -4.486 17.488 7.454 1.00 0.00 C ATOM 859 O SER A 57 -5.629 17.281 7.858 1.00 0.00 O ATOM 860 CB SER A 57 -4.738 19.079 5.527 1.00 0.00 C ATOM 861 OG SER A 57 -3.716 20.072 5.554 1.00 0.00 O ATOM 0 H SER A 57 -5.288 15.920 5.739 1.00 0.00 H new ATOM 0 HA SER A 57 -3.141 17.685 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.147 19.007 4.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.555 19.382 6.182 1.00 0.00 H new ATOM 0 HG SER A 57 -4.088 20.932 5.267 1.00 0.00 H new ATOM 867 N ILE A 58 -3.414 17.540 8.230 1.00 0.00 N ATOM 868 CA ILE A 58 -3.520 17.349 9.667 1.00 0.00 C ATOM 869 C ILE A 58 -3.732 18.705 10.343 1.00 0.00 C ATOM 870 O ILE A 58 -4.398 18.791 11.373 1.00 0.00 O ATOM 871 CB ILE A 58 -2.307 16.580 10.196 1.00 0.00 C ATOM 872 CG1 ILE A 58 -2.526 16.142 11.645 1.00 0.00 C ATOM 873 CG2 ILE A 58 -1.025 17.399 10.032 1.00 0.00 C ATOM 874 CD1 ILE A 58 -2.832 14.645 11.726 1.00 0.00 C ATOM 0 H ILE A 58 -2.467 17.712 7.891 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.387 16.734 9.907 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.189 15.675 9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.638 16.367 12.235 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.349 16.709 12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.178 16.830 10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.866 17.619 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.116 18.333 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.983 14.360 12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.735 14.427 11.155 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.996 14.080 11.313 1.00 0.00 H new ATOM 886 N HIS A 59 -3.152 19.730 9.736 1.00 0.00 N ATOM 887 CA HIS A 59 -3.269 21.078 10.267 1.00 0.00 C ATOM 888 C HIS A 59 -2.488 22.048 9.379 1.00 0.00 C ATOM 889 O HIS A 59 -3.073 22.929 8.751 1.00 0.00 O ATOM 890 CB HIS A 59 -2.827 21.125 11.730 1.00 0.00 C ATOM 891 CG HIS A 59 -3.938 21.455 12.698 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.918 21.063 14.025 1.00 0.00 N ATOM 893 CD2 HIS A 59 -5.101 22.144 12.517 1.00 0.00 C ATOM 894 CE1 HIS A 59 -5.025 21.501 14.607 1.00 0.00 C ATOM 895 NE2 HIS A 59 -5.757 22.170 13.671 1.00 0.00 N ATOM 0 H HIS A 59 -2.600 19.654 8.882 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.313 21.389 10.254 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.398 20.160 12.000 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.035 21.866 11.836 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.432 22.592 11.592 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.299 21.354 15.641 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.660 22.617 13.831 1.00 0.00 H new ATOM 903 N LEU A 60 -1.178 21.854 9.355 1.00 0.00 N ATOM 904 CA LEU A 60 -0.310 22.702 8.555 1.00 0.00 C ATOM 905 C LEU A 60 1.016 21.979 8.310 1.00 0.00 C ATOM 906 O LEU A 60 1.288 21.534 7.196 1.00 0.00 O ATOM 907 CB LEU A 60 -0.150 24.075 9.210 1.00 0.00 C ATOM 908 CG LEU A 60 -0.978 25.209 8.601 1.00 0.00 C ATOM 909 CD1 LEU A 60 -1.477 26.167 9.685 1.00 0.00 C ATOM 910 CD2 LEU A 60 -0.192 25.937 7.510 1.00 0.00 C ATOM 0 H LEU A 60 -0.696 21.122 9.877 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.756 22.891 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.413 23.986 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.902 24.356 9.166 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.858 24.773 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.062 26.963 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.100 25.622 10.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.625 26.599 10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.803 26.738 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.718 26.359 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.071 25.234 6.720 1.00 0.00 H new ATOM 922 N ILE A 61 1.807 21.885 9.369 1.00 0.00 N ATOM 923 CA ILE A 61 3.098 21.225 9.282 1.00 0.00 C ATOM 924 C ILE A 61 2.885 19.719 9.110 1.00 0.00 C ATOM 925 O ILE A 61 3.143 18.943 10.030 1.00 0.00 O ATOM 926 CB ILE A 61 3.968 21.589 10.487 1.00 0.00 C ATOM 927 CG1 ILE A 61 4.154 23.104 10.591 1.00 0.00 C ATOM 928 CG2 ILE A 61 5.306 20.849 10.441 1.00 0.00 C ATOM 929 CD1 ILE A 61 5.059 23.623 9.471 1.00 0.00 C ATOM 0 H ILE A 61 1.578 22.255 10.292 1.00 0.00 H new ATOM 0 HA ILE A 61 3.646 21.573 8.406 1.00 0.00 H new ATOM 0 HB ILE A 61 3.452 21.265 11.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.184 23.598 10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.587 23.355 11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.905 21.126 11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.128 19.774 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.840 21.119 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.175 24.702 9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.036 23.145 9.542 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.611 23.391 8.505 1.00 0.00 H new ATOM 941 N HIS A 62 2.418 19.351 7.926 1.00 0.00 N ATOM 942 CA HIS A 62 2.168 17.953 7.622 1.00 0.00 C ATOM 943 C HIS A 62 3.245 17.435 6.667 1.00 0.00 C ATOM 944 O HIS A 62 3.872 16.409 6.930 1.00 0.00 O ATOM 945 CB HIS A 62 0.751 17.760 7.078 1.00 0.00 C ATOM 946 CG HIS A 62 0.285 16.324 7.073 1.00 0.00 C ATOM 947 ND1 HIS A 62 -0.663 15.846 6.186 1.00 0.00 N ATOM 948 CD2 HIS A 62 0.647 15.267 7.856 1.00 0.00 C ATOM 949 CE1 HIS A 62 -0.856 14.559 6.432 1.00 0.00 C ATOM 950 NE2 HIS A 62 -0.044 14.202 7.468 1.00 0.00 N ATOM 0 H HIS A 62 2.206 19.997 7.166 1.00 0.00 H new ATOM 0 HA HIS A 62 2.227 17.362 8.536 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.059 18.353 7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.707 18.149 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.372 15.292 8.656 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.537 13.907 5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.022 13.270 7.877 1.00 0.00 H new ATOM 958 N MET A 63 3.427 18.167 5.578 1.00 0.00 N ATOM 959 CA MET A 63 4.418 17.795 4.583 1.00 0.00 C ATOM 960 C MET A 63 4.119 16.411 4.003 1.00 0.00 C ATOM 961 O MET A 63 4.173 15.410 4.716 1.00 0.00 O ATOM 962 CB MET A 63 5.808 17.791 5.222 1.00 0.00 C ATOM 963 CG MET A 63 6.645 18.970 4.721 1.00 0.00 C ATOM 964 SD MET A 63 8.268 18.405 4.239 1.00 0.00 S ATOM 965 CE MET A 63 9.238 19.066 5.585 1.00 0.00 C ATOM 0 H MET A 63 2.905 19.016 5.363 1.00 0.00 H new ATOM 0 HA MET A 63 4.383 18.524 3.773 1.00 0.00 H new ATOM 0 HB2 MET A 63 5.714 17.842 6.307 1.00 0.00 H new ATOM 0 HB3 MET A 63 6.316 16.855 4.990 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.150 19.444 3.874 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.731 19.724 5.503 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.286 18.804 5.441 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.136 20.151 5.609 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.885 18.647 6.528 1.00 0.00 H new ATOM 975 N ARG A 64 3.808 16.399 2.715 1.00 0.00 N ATOM 976 CA ARG A 64 3.500 15.154 2.031 1.00 0.00 C ATOM 977 C ARG A 64 4.615 14.132 2.261 1.00 0.00 C ATOM 978 O ARG A 64 4.349 12.940 2.405 1.00 0.00 O ATOM 979 CB ARG A 64 3.328 15.380 0.528 1.00 0.00 C ATOM 980 CG ARG A 64 4.463 16.240 -0.032 1.00 0.00 C ATOM 981 CD ARG A 64 3.912 17.437 -0.809 1.00 0.00 C ATOM 982 NE ARG A 64 5.026 18.225 -1.382 1.00 0.00 N ATOM 983 CZ ARG A 64 5.734 17.854 -2.470 1.00 0.00 C ATOM 984 NH1 ARG A 64 5.449 16.701 -3.113 1.00 0.00 N ATOM 985 NH2 ARG A 64 6.710 18.634 -2.896 1.00 0.00 N ATOM 0 H ARG A 64 3.763 17.231 2.127 1.00 0.00 H new ATOM 0 HA ARG A 64 2.564 14.774 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.307 14.420 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.371 15.866 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.095 16.591 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.093 15.636 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.253 17.092 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.313 18.065 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 64 5.274 19.103 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.694 16.103 -2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.989 16.428 -3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.920 19.503 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.254 18.368 -3.717 1.00 0.00 H new ATOM 999 N VAL A 65 5.840 14.636 2.290 1.00 0.00 N ATOM 1000 CA VAL A 65 6.996 13.782 2.501 1.00 0.00 C ATOM 1001 C VAL A 65 6.941 13.195 3.913 1.00 0.00 C ATOM 1002 O VAL A 65 6.853 11.980 4.081 1.00 0.00 O ATOM 1003 CB VAL A 65 8.282 14.565 2.229 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.517 13.701 2.494 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.296 15.119 0.803 1.00 0.00 C ATOM 0 H VAL A 65 6.057 15.626 2.171 1.00 0.00 H new ATOM 0 HA VAL A 65 6.986 12.946 1.801 1.00 0.00 H new ATOM 0 HB VAL A 65 8.311 15.410 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.417 14.282 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.518 13.378 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.496 12.827 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.221 15.671 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.232 14.295 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.445 15.786 0.663 1.00 0.00 H new ATOM 1015 N ALA A 66 6.994 14.086 4.892 1.00 0.00 N ATOM 1016 CA ALA A 66 6.951 13.671 6.284 1.00 0.00 C ATOM 1017 C ALA A 66 5.795 12.689 6.484 1.00 0.00 C ATOM 1018 O ALA A 66 6.005 11.559 6.921 1.00 0.00 O ATOM 1019 CB ALA A 66 6.829 14.905 7.181 1.00 0.00 C ATOM 0 H ALA A 66 7.066 15.093 4.749 1.00 0.00 H new ATOM 0 HA ALA A 66 7.872 13.157 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.797 14.594 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.689 15.556 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.915 15.445 6.935 1.00 0.00 H new ATOM 1025 N ALA A 67 4.600 13.156 6.153 1.00 0.00 N ATOM 1026 CA ALA A 67 3.411 12.333 6.291 1.00 0.00 C ATOM 1027 C ALA A 67 3.660 10.971 5.640 1.00 0.00 C ATOM 1028 O ALA A 67 3.166 9.951 6.117 1.00 0.00 O ATOM 1029 CB ALA A 67 2.212 13.061 5.679 1.00 0.00 C ATOM 0 H ALA A 67 4.430 14.094 5.790 1.00 0.00 H new ATOM 0 HA ALA A 67 3.185 12.159 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.320 12.443 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.059 14.009 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.402 13.250 4.622 1.00 0.00 H new ATOM 1035 N GLN A 68 4.427 10.999 4.559 1.00 0.00 N ATOM 1036 CA GLN A 68 4.748 9.780 3.837 1.00 0.00 C ATOM 1037 C GLN A 68 5.624 8.868 4.699 1.00 0.00 C ATOM 1038 O GLN A 68 5.423 7.655 4.729 1.00 0.00 O ATOM 1039 CB GLN A 68 5.429 10.095 2.504 1.00 0.00 C ATOM 1040 CG GLN A 68 4.549 9.673 1.326 1.00 0.00 C ATOM 1041 CD GLN A 68 4.852 8.234 0.903 1.00 0.00 C ATOM 1042 OE1 GLN A 68 4.338 7.313 1.713 1.00 0.00 O flip ATOM 1043 NE2 GLN A 68 5.508 7.977 -0.093 1.00 0.00 N flip ATOM 0 H GLN A 68 4.835 11.847 4.166 1.00 0.00 H new ATOM 0 HA GLN A 68 3.818 9.256 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.638 11.163 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.387 9.579 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.498 9.761 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.715 10.346 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.874 8.733 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.691 7.006 -0.347 1.00 0.00 H new ATOM 1052 N GLY A 69 6.578 9.487 5.378 1.00 0.00 N ATOM 1053 CA GLY A 69 7.486 8.747 6.238 1.00 0.00 C ATOM 1054 C GLY A 69 6.723 8.031 7.354 1.00 0.00 C ATOM 1055 O GLY A 69 6.894 6.830 7.557 1.00 0.00 O ATOM 0 H GLY A 69 6.742 10.493 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.040 8.019 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.218 9.428 6.672 1.00 0.00 H new ATOM 1059 N PHE A 70 5.896 8.799 8.049 1.00 0.00 N ATOM 1060 CA PHE A 70 5.106 8.254 9.140 1.00 0.00 C ATOM 1061 C PHE A 70 4.173 7.149 8.641 1.00 0.00 C ATOM 1062 O PHE A 70 3.986 6.137 9.316 1.00 0.00 O ATOM 1063 CB PHE A 70 4.264 9.402 9.700 1.00 0.00 C ATOM 1064 CG PHE A 70 4.034 9.325 11.211 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.969 9.817 12.067 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.894 8.765 11.697 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.756 9.745 13.469 1.00 0.00 C ATOM 1068 CE2 PHE A 70 2.681 8.693 13.099 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.616 9.185 13.956 1.00 0.00 C ATOM 0 H PHE A 70 5.756 9.795 7.877 1.00 0.00 H new ATOM 0 HA PHE A 70 5.762 7.825 9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.754 10.347 9.465 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.298 9.410 9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.874 10.263 11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.151 8.375 11.017 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.499 10.135 14.149 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.776 8.247 13.485 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.453 9.131 15.022 1.00 0.00 H new ATOM 1079 N VAL A 71 3.611 7.379 7.463 1.00 0.00 N ATOM 1080 CA VAL A 71 2.702 6.416 6.867 1.00 0.00 C ATOM 1081 C VAL A 71 3.465 5.128 6.552 1.00 0.00 C ATOM 1082 O VAL A 71 3.180 4.078 7.126 1.00 0.00 O ATOM 1083 CB VAL A 71 2.026 7.026 5.637 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.340 5.948 4.796 1.00 0.00 C ATOM 1085 CG2 VAL A 71 1.036 8.120 6.041 1.00 0.00 C ATOM 0 H VAL A 71 3.768 8.219 6.906 1.00 0.00 H new ATOM 0 HA VAL A 71 1.906 6.160 7.566 1.00 0.00 H new ATOM 0 HB VAL A 71 2.801 7.486 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.868 6.409 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.080 5.221 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.582 5.445 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.570 8.537 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.268 7.695 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.564 8.909 6.576 1.00 0.00 H new ATOM 1095 N VAL A 72 4.419 5.250 5.641 1.00 0.00 N ATOM 1096 CA VAL A 72 5.225 4.109 5.244 1.00 0.00 C ATOM 1097 C VAL A 72 5.703 3.367 6.494 1.00 0.00 C ATOM 1098 O VAL A 72 5.853 2.146 6.476 1.00 0.00 O ATOM 1099 CB VAL A 72 6.375 4.568 4.345 1.00 0.00 C ATOM 1100 CG1 VAL A 72 5.855 5.399 3.170 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.421 5.345 5.147 1.00 0.00 C ATOM 0 H VAL A 72 4.652 6.122 5.166 1.00 0.00 H new ATOM 0 HA VAL A 72 4.631 3.408 4.657 1.00 0.00 H new ATOM 0 HB VAL A 72 6.858 3.679 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.693 5.712 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.166 4.798 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.335 6.279 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.227 5.660 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.957 6.223 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.825 4.707 5.933 1.00 0.00 H new ATOM 1111 N GLY A 73 5.929 4.136 7.549 1.00 0.00 N ATOM 1112 CA GLY A 73 6.386 3.567 8.805 1.00 0.00 C ATOM 1113 C GLY A 73 5.343 2.610 9.386 1.00 0.00 C ATOM 1114 O GLY A 73 5.606 1.419 9.544 1.00 0.00 O ATOM 0 H GLY A 73 5.804 5.148 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.324 3.035 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.588 4.366 9.518 1.00 0.00 H new ATOM 1118 N ALA A 74 4.179 3.168 9.689 1.00 0.00 N ATOM 1119 CA ALA A 74 3.095 2.379 10.249 1.00 0.00 C ATOM 1120 C ALA A 74 2.719 1.267 9.268 1.00 0.00 C ATOM 1121 O ALA A 74 2.221 0.218 9.674 1.00 0.00 O ATOM 1122 CB ALA A 74 1.913 3.295 10.574 1.00 0.00 C ATOM 0 H ALA A 74 3.964 4.156 9.557 1.00 0.00 H new ATOM 0 HA ALA A 74 3.406 1.905 11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.099 2.704 10.994 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.225 4.049 11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.572 3.786 9.663 1.00 0.00 H new ATOM 1128 N MET A 75 2.972 1.534 7.995 1.00 0.00 N ATOM 1129 CA MET A 75 2.666 0.569 6.953 1.00 0.00 C ATOM 1130 C MET A 75 3.609 -0.634 7.026 1.00 0.00 C ATOM 1131 O MET A 75 3.160 -1.779 7.034 1.00 0.00 O ATOM 1132 CB MET A 75 2.798 1.238 5.583 1.00 0.00 C ATOM 1133 CG MET A 75 1.490 1.920 5.178 1.00 0.00 C ATOM 1134 SD MET A 75 1.252 1.786 3.414 1.00 0.00 S ATOM 1135 CE MET A 75 0.050 0.468 3.362 1.00 0.00 C ATOM 0 H MET A 75 3.385 2.405 7.662 1.00 0.00 H new ATOM 0 HA MET A 75 1.645 0.216 7.099 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.603 1.973 5.609 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.071 0.493 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.653 1.459 5.702 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.511 2.969 5.472 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.212 0.255 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.471 -0.427 3.821 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.844 0.769 3.908 1.00 0.00 H new ATOM 1145 N THR A 76 4.898 -0.333 7.078 1.00 0.00 N ATOM 1146 CA THR A 76 5.907 -1.376 7.151 1.00 0.00 C ATOM 1147 C THR A 76 5.678 -2.255 8.381 1.00 0.00 C ATOM 1148 O THR A 76 5.643 -3.480 8.276 1.00 0.00 O ATOM 1149 CB THR A 76 7.282 -0.705 7.130 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.151 0.383 8.041 1.00 0.00 O ATOM 1151 CG2 THR A 76 7.587 -0.034 5.790 1.00 0.00 C ATOM 0 H THR A 76 5.267 0.618 7.071 1.00 0.00 H new ATOM 0 HA THR A 76 5.844 -2.048 6.295 1.00 0.00 H new ATOM 0 HB THR A 76 8.051 -1.447 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.893 1.191 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.574 0.426 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.567 -0.781 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.838 0.731 5.587 1.00 0.00 H new ATOM 1159 N VAL A 77 5.529 -1.596 9.521 1.00 0.00 N ATOM 1160 CA VAL A 77 5.304 -2.302 10.770 1.00 0.00 C ATOM 1161 C VAL A 77 4.007 -3.107 10.670 1.00 0.00 C ATOM 1162 O VAL A 77 3.986 -4.298 10.979 1.00 0.00 O ATOM 1163 CB VAL A 77 5.305 -1.313 11.938 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.660 -0.616 12.065 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.174 -0.292 11.792 1.00 0.00 C ATOM 0 H VAL A 77 5.560 -0.580 9.605 1.00 0.00 H new ATOM 0 HA VAL A 77 6.112 -3.009 10.959 1.00 0.00 H new ATOM 0 HB VAL A 77 5.132 -1.877 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.633 0.081 12.902 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.437 -1.360 12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.876 -0.071 11.146 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.197 0.399 12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.303 0.264 10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.216 -0.811 11.774 1.00 0.00 H new ATOM 1175 N GLY A 78 2.957 -2.426 10.236 1.00 0.00 N ATOM 1176 CA GLY A 78 1.659 -3.064 10.091 1.00 0.00 C ATOM 1177 C GLY A 78 1.761 -4.323 9.228 1.00 0.00 C ATOM 1178 O GLY A 78 1.189 -5.359 9.566 1.00 0.00 O ATOM 0 H GLY A 78 2.978 -1.439 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.265 -3.323 11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.955 -2.365 9.640 1.00 0.00 H new ATOM 1182 N MET A 79 2.492 -4.193 8.131 1.00 0.00 N ATOM 1183 CA MET A 79 2.676 -5.308 7.218 1.00 0.00 C ATOM 1184 C MET A 79 3.475 -6.433 7.879 1.00 0.00 C ATOM 1185 O MET A 79 3.064 -7.592 7.848 1.00 0.00 O ATOM 1186 CB MET A 79 3.411 -4.827 5.966 1.00 0.00 C ATOM 1187 CG MET A 79 2.692 -5.286 4.696 1.00 0.00 C ATOM 1188 SD MET A 79 3.075 -4.185 3.345 1.00 0.00 S ATOM 1189 CE MET A 79 1.702 -4.537 2.259 1.00 0.00 C ATOM 0 H MET A 79 2.964 -3.332 7.854 1.00 0.00 H new ATOM 0 HA MET A 79 1.694 -5.696 6.947 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.480 -3.739 5.976 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.431 -5.211 5.969 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.995 -6.302 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.615 -5.306 4.865 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.786 -3.929 1.358 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.714 -5.592 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.767 -4.304 2.768 1.00 0.00 H new ATOM 1199 N GLY A 80 4.602 -6.051 8.462 1.00 0.00 N ATOM 1200 CA GLY A 80 5.462 -7.013 9.130 1.00 0.00 C ATOM 1201 C GLY A 80 4.661 -7.886 10.097 1.00 0.00 C ATOM 1202 O GLY A 80 4.894 -9.090 10.191 1.00 0.00 O ATOM 0 H GLY A 80 4.939 -5.089 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.954 -7.643 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.247 -6.488 9.674 1.00 0.00 H new ATOM 1206 N TYR A 81 3.733 -7.245 10.793 1.00 0.00 N ATOM 1207 CA TYR A 81 2.896 -7.948 11.750 1.00 0.00 C ATOM 1208 C TYR A 81 1.664 -8.546 11.066 1.00 0.00 C ATOM 1209 O TYR A 81 1.035 -9.458 11.600 1.00 0.00 O ATOM 1210 CB TYR A 81 2.441 -6.897 12.764 1.00 0.00 C ATOM 1211 CG TYR A 81 2.295 -7.431 14.191 1.00 0.00 C ATOM 1212 CD1 TYR A 81 1.161 -8.129 14.554 1.00 0.00 C ATOM 1213 CD2 TYR A 81 3.297 -7.215 15.114 1.00 0.00 C ATOM 1214 CE1 TYR A 81 1.023 -8.632 15.896 1.00 0.00 C ATOM 1215 CE2 TYR A 81 3.160 -7.717 16.457 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.030 -8.401 16.781 1.00 0.00 C ATOM 1217 OH TYR A 81 1.900 -8.876 18.049 1.00 0.00 O ATOM 0 H TYR A 81 3.543 -6.246 10.713 1.00 0.00 H new ATOM 0 HA TYR A 81 3.447 -8.766 12.214 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.157 -6.075 12.766 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.485 -6.486 12.441 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.377 -8.298 13.831 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.185 -6.669 14.830 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.141 -9.180 16.193 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.937 -7.554 17.190 1.00 0.00 H new ATOM 0 HH TYR A 81 2.695 -8.638 18.571 1.00 0.00 H new ATOM 1227 N SER A 82 1.358 -8.008 9.895 1.00 0.00 N ATOM 1228 CA SER A 82 0.213 -8.477 9.133 1.00 0.00 C ATOM 1229 C SER A 82 -0.946 -8.803 10.077 1.00 0.00 C ATOM 1230 O SER A 82 -1.084 -9.939 10.528 1.00 0.00 O ATOM 1231 CB SER A 82 0.575 -9.705 8.294 1.00 0.00 C ATOM 1232 OG SER A 82 -0.569 -10.282 7.671 1.00 0.00 O ATOM 0 H SER A 82 1.883 -7.252 9.455 1.00 0.00 H new ATOM 0 HA SER A 82 -0.093 -7.683 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.299 -9.422 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.056 -10.449 8.929 1.00 0.00 H new ATOM 0 HG SER A 82 -0.296 -11.062 7.144 1.00 0.00 H new ATOM 1238 N MET A 83 -1.751 -7.785 10.347 1.00 0.00 N ATOM 1239 CA MET A 83 -2.894 -7.948 11.229 1.00 0.00 C ATOM 1240 C MET A 83 -2.451 -8.402 12.622 1.00 0.00 C ATOM 1241 O MET A 83 -1.467 -9.127 12.759 1.00 0.00 O ATOM 1242 CB MET A 83 -3.853 -8.983 10.636 1.00 0.00 C ATOM 1243 CG MET A 83 -4.602 -8.408 9.432 1.00 0.00 C ATOM 1244 SD MET A 83 -4.929 -9.700 8.244 1.00 0.00 S ATOM 1245 CE MET A 83 -5.265 -8.712 6.796 1.00 0.00 C ATOM 0 H MET A 83 -1.634 -6.844 9.970 1.00 0.00 H new ATOM 0 HA MET A 83 -3.397 -6.985 11.323 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.296 -9.869 10.333 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.567 -9.300 11.396 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.539 -7.956 9.758 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.011 -7.618 8.969 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.490 -9.366 5.954 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.118 -8.062 6.989 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.392 -8.104 6.560 1.00 0.00 H new ATOM 1255 N TYR A 84 -3.200 -7.955 13.620 1.00 0.00 N ATOM 1256 CA TYR A 84 -2.897 -8.306 14.997 1.00 0.00 C ATOM 1257 C TYR A 84 -3.635 -9.580 15.413 1.00 0.00 C ATOM 1258 O TYR A 84 -4.378 -9.579 16.394 1.00 0.00 O ATOM 1259 CB TYR A 84 -3.399 -7.139 15.849 1.00 0.00 C ATOM 1260 CG TYR A 84 -2.507 -6.816 17.050 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -1.220 -6.358 16.850 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -2.988 -6.984 18.332 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -0.381 -6.054 17.980 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -2.149 -6.680 19.462 1.00 0.00 C ATOM 1265 CZ TYR A 84 -0.886 -6.230 19.230 1.00 0.00 C ATOM 1266 OH TYR A 84 -0.093 -5.943 20.297 1.00 0.00 O ATOM 0 H TYR A 84 -4.015 -7.353 13.502 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.829 -8.486 15.121 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.480 -6.252 15.221 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.403 -7.369 16.206 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.843 -6.228 15.846 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.994 -7.344 18.488 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.627 -5.694 17.838 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.514 -6.806 20.471 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.586 -6.115 21.126 1.00 0.00 H new ATOM 1276 N ARG A 85 -3.405 -10.636 14.647 1.00 0.00 N ATOM 1277 CA ARG A 85 -4.038 -11.914 14.924 1.00 0.00 C ATOM 1278 C ARG A 85 -3.011 -13.045 14.844 1.00 0.00 C ATOM 1279 O ARG A 85 -2.838 -13.800 15.799 1.00 0.00 O ATOM 1280 CB ARG A 85 -5.171 -12.193 13.934 1.00 0.00 C ATOM 1281 CG ARG A 85 -6.502 -11.647 14.456 1.00 0.00 C ATOM 1282 CD ARG A 85 -7.612 -11.825 13.418 1.00 0.00 C ATOM 1283 NE ARG A 85 -8.936 -11.698 14.067 1.00 0.00 N ATOM 1284 CZ ARG A 85 -9.472 -12.630 14.883 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -8.799 -13.768 15.158 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -10.663 -12.413 15.408 1.00 0.00 N ATOM 0 H ARG A 85 -2.789 -10.633 13.834 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.453 -11.867 15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.939 -11.736 12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.255 -13.267 13.765 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.774 -12.162 15.377 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.395 -10.590 14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.510 -11.077 12.632 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.523 -12.802 12.942 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.478 -10.853 13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.879 -13.928 14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.211 -14.467 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.165 -11.551 15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.082 -13.107 16.027 1.00 0.00 H new ATOM 1300 N GLU A 86 -2.355 -13.125 13.696 1.00 0.00 N ATOM 1301 CA GLU A 86 -1.348 -14.150 13.479 1.00 0.00 C ATOM 1302 C GLU A 86 0.050 -13.530 13.476 1.00 0.00 C ATOM 1303 O GLU A 86 0.300 -12.557 12.766 1.00 0.00 O ATOM 1304 CB GLU A 86 -1.613 -14.912 12.178 1.00 0.00 C ATOM 1305 CG GLU A 86 -1.097 -16.349 12.270 1.00 0.00 C ATOM 1306 CD GLU A 86 -0.999 -16.986 10.882 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -0.815 -16.273 9.884 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -1.121 -18.270 10.861 1.00 0.00 O ATOM 0 H GLU A 86 -2.501 -12.497 12.906 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.404 -14.866 14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.682 -14.919 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.128 -14.400 11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.117 -16.358 12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.764 -16.939 12.899 1.00 0.00 H new ATOM 1315 N PHE A 87 0.925 -14.118 14.278 1.00 0.00 N ATOM 1316 CA PHE A 87 2.292 -13.635 14.377 1.00 0.00 C ATOM 1317 C PHE A 87 3.185 -14.296 13.325 1.00 0.00 C ATOM 1318 O PHE A 87 3.357 -15.514 13.328 1.00 0.00 O ATOM 1319 CB PHE A 87 2.800 -14.013 15.770 1.00 0.00 C ATOM 1320 CG PHE A 87 4.178 -13.439 16.106 1.00 0.00 C ATOM 1321 CD1 PHE A 87 4.293 -12.157 16.544 1.00 0.00 C ATOM 1322 CD2 PHE A 87 5.289 -14.213 15.968 1.00 0.00 C ATOM 1323 CE1 PHE A 87 5.572 -11.625 16.856 1.00 0.00 C ATOM 1324 CE2 PHE A 87 6.568 -13.680 16.280 1.00 0.00 C ATOM 1325 CZ PHE A 87 6.682 -12.398 16.718 1.00 0.00 C ATOM 0 H PHE A 87 0.714 -14.925 14.866 1.00 0.00 H new ATOM 0 HA PHE A 87 2.319 -12.558 14.212 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.082 -13.667 16.514 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.841 -15.099 15.848 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.411 -11.543 16.655 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.198 -15.232 15.621 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.663 -10.606 17.203 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.450 -14.293 16.169 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.655 -11.993 16.956 1.00 0.00 H new ATOM 1335 N TRP A 88 3.729 -13.463 12.450 1.00 0.00 N ATOM 1336 CA TRP A 88 4.600 -13.952 11.394 1.00 0.00 C ATOM 1337 C TRP A 88 6.022 -13.476 11.696 1.00 0.00 C ATOM 1338 O TRP A 88 6.250 -12.287 11.915 1.00 0.00 O ATOM 1339 CB TRP A 88 4.099 -13.504 10.020 1.00 0.00 C ATOM 1340 CG TRP A 88 3.935 -14.646 9.015 1.00 0.00 C ATOM 1341 CD1 TRP A 88 2.851 -15.404 8.797 1.00 0.00 C ATOM 1342 CD2 TRP A 88 4.934 -15.133 8.094 1.00 0.00 C ATOM 1343 NE1 TRP A 88 3.078 -16.339 7.808 1.00 0.00 N ATOM 1344 CE2 TRP A 88 4.385 -16.169 7.367 1.00 0.00 C ATOM 1345 CE3 TRP A 88 6.259 -14.711 7.883 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 5.088 -16.869 6.380 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 6.948 -15.421 6.893 1.00 0.00 C ATOM 1348 CH2 TRP A 88 6.409 -16.467 6.152 1.00 0.00 C ATOM 0 H TRP A 88 3.584 -12.453 12.450 1.00 0.00 H new ATOM 0 HA TRP A 88 4.597 -15.042 11.364 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.140 -13.000 10.141 1.00 0.00 H new ATOM 0 HB3 TRP A 88 4.795 -12.772 9.612 1.00 0.00 H new ATOM 0 HD1 TRP A 88 1.917 -15.296 9.329 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.409 -17.028 7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 88 6.709 -13.903 8.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.635 -17.676 5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.970 -15.137 6.690 1.00 0.00 H new ATOM 0 HH2 TRP A 88 7.007 -16.967 5.404 1.00 0.00 H new ATOM 1359 N ALA A 89 6.943 -14.429 11.699 1.00 0.00 N ATOM 1360 CA ALA A 89 8.337 -14.122 11.971 1.00 0.00 C ATOM 1361 C ALA A 89 9.168 -14.389 10.714 1.00 0.00 C ATOM 1362 O ALA A 89 9.055 -15.452 10.106 1.00 0.00 O ATOM 1363 CB ALA A 89 8.815 -14.940 13.172 1.00 0.00 C ATOM 0 H ALA A 89 6.751 -15.414 11.517 1.00 0.00 H new ATOM 0 HA ALA A 89 8.456 -13.069 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.861 -14.710 13.376 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.212 -14.691 14.045 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.714 -16.003 12.952 1.00 0.00 H new ATOM 1369 N LYS A 90 9.984 -13.407 10.363 1.00 0.00 N ATOM 1370 CA LYS A 90 10.834 -13.523 9.190 1.00 0.00 C ATOM 1371 C LYS A 90 12.275 -13.786 9.633 1.00 0.00 C ATOM 1372 O LYS A 90 12.663 -13.424 10.743 1.00 0.00 O ATOM 1373 CB LYS A 90 10.681 -12.292 8.294 1.00 0.00 C ATOM 1374 CG LYS A 90 10.244 -12.692 6.884 1.00 0.00 C ATOM 1375 CD LYS A 90 10.974 -11.861 5.827 1.00 0.00 C ATOM 1376 CE LYS A 90 11.456 -12.743 4.673 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.579 -12.576 3.492 1.00 0.00 N ATOM 0 H LYS A 90 10.075 -12.527 10.870 1.00 0.00 H new ATOM 0 HA LYS A 90 10.528 -14.373 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.948 -11.612 8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.627 -11.753 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.447 -13.751 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.168 -12.554 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.309 -11.087 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.825 -11.354 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.482 -12.482 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.462 -13.788 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.920 -13.181 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.606 -12.847 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.594 -11.582 3.186 1.00 0.00 H new ATOM 1391 N PRO A 91 13.048 -14.431 8.720 1.00 0.00 N ATOM 1392 CA PRO A 91 14.438 -14.747 9.005 1.00 0.00 C ATOM 1393 C PRO A 91 15.314 -13.496 8.915 1.00 0.00 C ATOM 1394 O PRO A 91 16.000 -13.284 7.916 1.00 0.00 O ATOM 1395 CB PRO A 91 14.816 -15.811 7.988 1.00 0.00 C ATOM 1396 CG PRO A 91 13.778 -15.718 6.881 1.00 0.00 C ATOM 1397 CD PRO A 91 12.623 -14.875 7.396 1.00 0.00 C ATOM 0 HA PRO A 91 14.586 -15.115 10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.819 -15.639 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.816 -16.802 8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.211 -15.267 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.430 -16.712 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.427 -14.028 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.702 -15.456 7.450 1.00 0.00 H new ATOM 1405 N LYS A 92 15.263 -12.699 9.973 1.00 0.00 N ATOM 1406 CA LYS A 92 16.044 -11.475 10.026 1.00 0.00 C ATOM 1407 C LYS A 92 16.370 -11.146 11.484 1.00 0.00 C ATOM 1408 O LYS A 92 15.723 -10.294 12.091 1.00 0.00 O ATOM 1409 CB LYS A 92 15.321 -10.346 9.287 1.00 0.00 C ATOM 1410 CG LYS A 92 16.287 -9.211 8.941 1.00 0.00 C ATOM 1411 CD LYS A 92 17.226 -9.618 7.804 1.00 0.00 C ATOM 1412 CE LYS A 92 18.643 -9.096 8.050 1.00 0.00 C ATOM 1413 NZ LYS A 92 19.352 -9.959 9.021 1.00 0.00 N ATOM 0 H LYS A 92 14.693 -12.877 10.800 1.00 0.00 H new ATOM 0 HA LYS A 92 16.994 -11.606 9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.869 -10.735 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.510 -9.962 9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.723 -8.324 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.871 -8.944 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.245 -10.704 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.849 -9.227 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.194 -9.067 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.600 -8.074 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.312 -9.591 9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.834 -9.966 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.409 -10.928 8.647 1.00 0.00 H new ATOM 1427 N PRO A 93 17.399 -11.857 12.017 1.00 0.00 N ATOM 1428 CA PRO A 93 17.819 -11.649 13.393 1.00 0.00 C ATOM 1429 C PRO A 93 18.602 -10.342 13.535 1.00 0.00 C ATOM 1430 O PRO A 93 18.011 -9.267 13.623 1.00 0.00 O ATOM 1431 CB PRO A 93 18.643 -12.877 13.742 1.00 0.00 C ATOM 1432 CG PRO A 93 19.043 -13.502 12.416 1.00 0.00 C ATOM 1433 CD PRO A 93 18.188 -12.874 11.328 1.00 0.00 C ATOM 0 HA PRO A 93 16.978 -11.542 14.079 1.00 0.00 H new ATOM 0 HB2 PRO A 93 19.522 -12.604 14.326 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.064 -13.577 14.345 1.00 0.00 H new ATOM 0 HG2 PRO A 93 20.101 -13.330 12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 93 18.895 -14.582 12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 93 18.805 -12.433 10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 93 17.548 -13.615 10.850 1.00 0.00 H new TER 1441 PRO A 93