USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 77:sc= 0.51 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 TYR OH : rot -14:sc= -0.0834 USER MOD Set 2.3: A 73 HIS : no HD1:sc= -1.98 X(o=-2.1,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.192 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.117 USER MOD Single : A 10 TYR OH : rot -166:sc= 0.15 USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.34) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.057) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= -0.258 (180deg=-2.23!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0365 X(o=-0.036,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.443 (180deg=-1.7!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0476) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-8.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -0.197 (180deg=-1.82!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0835 USER MOD Single : A 60 SER OG : rot -74:sc= 0.311 USER MOD Single : A 63 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -67:sc= 0.988 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.389 19.652 -9.971 1.00 0.00 N ATOM 2 CA GLY A 1 14.082 19.708 -8.554 1.00 0.00 C ATOM 3 C GLY A 1 13.521 18.401 -8.030 1.00 0.00 C ATOM 4 O GLY A 1 14.222 17.390 -7.986 1.00 0.00 O ATOM 0 H1 GLY A 1 14.769 20.569 -10.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.095 18.908 -10.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.523 19.438 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.986 19.960 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.363 20.507 -8.372 1.00 0.00 H new ATOM 8 N SER A 2 12.253 18.421 -7.630 1.00 0.00 N ATOM 9 CA SER A 2 11.600 17.229 -7.102 1.00 0.00 C ATOM 10 C SER A 2 11.774 16.048 -8.051 1.00 0.00 C ATOM 11 O SER A 2 11.436 16.131 -9.232 1.00 0.00 O ATOM 12 CB SER A 2 10.112 17.498 -6.871 1.00 0.00 C ATOM 13 OG SER A 2 9.475 17.906 -8.069 1.00 0.00 O ATOM 0 H SER A 2 11.658 19.249 -7.662 1.00 0.00 H new ATOM 0 HA SER A 2 12.069 16.979 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.632 16.597 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.993 18.270 -6.111 1.00 0.00 H new ATOM 0 HG SER A 2 9.980 17.570 -8.839 1.00 0.00 H new ATOM 19 N SER A 3 12.304 14.948 -7.526 1.00 0.00 N ATOM 20 CA SER A 3 12.527 13.749 -8.326 1.00 0.00 C ATOM 21 C SER A 3 11.678 12.589 -7.816 1.00 0.00 C ATOM 22 O SER A 3 12.149 11.749 -7.052 1.00 0.00 O ATOM 23 CB SER A 3 14.007 13.362 -8.302 1.00 0.00 C ATOM 24 OG SER A 3 14.232 12.161 -9.020 1.00 0.00 O ATOM 0 H SER A 3 12.587 14.862 -6.550 1.00 0.00 H new ATOM 0 HA SER A 3 12.232 13.968 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.603 14.165 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.338 13.240 -7.271 1.00 0.00 H new ATOM 0 HG SER A 3 15.185 11.936 -8.991 1.00 0.00 H new ATOM 30 N GLY A 4 10.420 12.551 -8.246 1.00 0.00 N ATOM 31 CA GLY A 4 9.523 11.491 -7.823 1.00 0.00 C ATOM 32 C GLY A 4 8.678 11.888 -6.629 1.00 0.00 C ATOM 33 O GLY A 4 9.073 11.674 -5.482 1.00 0.00 O ATOM 0 H GLY A 4 10.006 13.235 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.870 11.220 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.106 10.604 -7.573 1.00 0.00 H new ATOM 37 N SER A 5 7.514 12.470 -6.897 1.00 0.00 N ATOM 38 CA SER A 5 6.613 12.903 -5.835 1.00 0.00 C ATOM 39 C SER A 5 5.674 11.773 -5.424 1.00 0.00 C ATOM 40 O SER A 5 5.380 10.877 -6.215 1.00 0.00 O ATOM 41 CB SER A 5 5.800 14.117 -6.290 1.00 0.00 C ATOM 42 OG SER A 5 5.184 14.760 -5.188 1.00 0.00 O ATOM 0 H SER A 5 7.172 12.653 -7.841 1.00 0.00 H new ATOM 0 HA SER A 5 7.217 13.182 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.451 14.821 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.039 13.802 -7.003 1.00 0.00 H new ATOM 0 HG SER A 5 4.672 15.533 -5.505 1.00 0.00 H new ATOM 48 N SER A 6 5.207 11.823 -4.180 1.00 0.00 N ATOM 49 CA SER A 6 4.304 10.802 -3.662 1.00 0.00 C ATOM 50 C SER A 6 3.308 10.364 -4.731 1.00 0.00 C ATOM 51 O SER A 6 3.198 9.179 -5.045 1.00 0.00 O ATOM 52 CB SER A 6 3.555 11.328 -2.436 1.00 0.00 C ATOM 53 OG SER A 6 2.845 12.515 -2.743 1.00 0.00 O ATOM 0 H SER A 6 5.439 12.559 -3.513 1.00 0.00 H new ATOM 0 HA SER A 6 4.901 9.938 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.861 10.568 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.262 11.522 -1.629 1.00 0.00 H new ATOM 0 HG SER A 6 2.373 12.830 -1.944 1.00 0.00 H new ATOM 59 N GLY A 7 2.583 11.330 -5.286 1.00 0.00 N ATOM 60 CA GLY A 7 1.604 11.025 -6.314 1.00 0.00 C ATOM 61 C GLY A 7 0.396 10.292 -5.766 1.00 0.00 C ATOM 62 O GLY A 7 0.037 10.458 -4.600 1.00 0.00 O ATOM 0 H GLY A 7 2.656 12.318 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.279 11.951 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.073 10.418 -7.089 1.00 0.00 H new ATOM 66 N SER A 8 -0.234 9.479 -6.608 1.00 0.00 N ATOM 67 CA SER A 8 -1.412 8.722 -6.202 1.00 0.00 C ATOM 68 C SER A 8 -1.011 7.435 -5.487 1.00 0.00 C ATOM 69 O SER A 8 0.075 6.899 -5.710 1.00 0.00 O ATOM 70 CB SER A 8 -2.277 8.393 -7.420 1.00 0.00 C ATOM 71 OG SER A 8 -3.165 9.457 -7.718 1.00 0.00 O ATOM 0 H SER A 8 0.052 9.328 -7.575 1.00 0.00 H new ATOM 0 HA SER A 8 -1.988 9.337 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.638 8.196 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.846 7.483 -7.231 1.00 0.00 H new ATOM 0 HG SER A 8 -3.705 9.222 -8.501 1.00 0.00 H new ATOM 77 N TYR A 9 -1.895 6.945 -4.625 1.00 0.00 N ATOM 78 CA TYR A 9 -1.634 5.723 -3.874 1.00 0.00 C ATOM 79 C TYR A 9 -0.980 4.668 -4.760 1.00 0.00 C ATOM 80 O TYR A 9 0.141 4.230 -4.499 1.00 0.00 O ATOM 81 CB TYR A 9 -2.935 5.174 -3.284 1.00 0.00 C ATOM 82 CG TYR A 9 -3.660 6.159 -2.396 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.958 7.090 -1.640 1.00 0.00 C ATOM 84 CD2 TYR A 9 -5.047 6.159 -2.311 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.616 7.992 -0.826 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.713 7.057 -1.501 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.994 7.972 -0.760 1.00 0.00 C ATOM 88 OH TYR A 9 -5.654 8.868 0.049 1.00 0.00 O ATOM 0 H TYR A 9 -2.799 7.375 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.948 5.966 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.596 4.877 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.713 4.275 -2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.879 7.109 -1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.614 5.444 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.055 8.709 -0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.792 7.043 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.533 9.069 -0.335 1.00 0.00 H new ATOM 98 N TYR A 10 -1.687 4.265 -5.810 1.00 0.00 N ATOM 99 CA TYR A 10 -1.177 3.261 -6.736 1.00 0.00 C ATOM 100 C TYR A 10 0.328 3.415 -6.932 1.00 0.00 C ATOM 101 O TYR A 10 1.047 2.431 -7.105 1.00 0.00 O ATOM 102 CB TYR A 10 -1.892 3.368 -8.083 1.00 0.00 C ATOM 103 CG TYR A 10 -3.373 3.073 -8.008 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.835 1.851 -7.535 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.311 4.018 -8.408 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.188 1.578 -7.465 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.665 3.753 -8.340 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.098 2.532 -7.868 1.00 0.00 C ATOM 109 OH TYR A 10 -7.446 2.263 -7.799 1.00 0.00 O ATOM 0 H TYR A 10 -2.615 4.619 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.370 2.278 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.750 4.373 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.428 2.677 -8.787 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.125 1.102 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.975 4.975 -8.778 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.531 0.622 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.381 4.498 -8.655 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.940 2.932 -8.318 1.00 0.00 H new ATOM 119 N ASP A 11 0.797 4.658 -6.905 1.00 0.00 N ATOM 120 CA ASP A 11 2.216 4.944 -7.078 1.00 0.00 C ATOM 121 C ASP A 11 2.983 4.695 -5.783 1.00 0.00 C ATOM 122 O ASP A 11 4.024 4.038 -5.783 1.00 0.00 O ATOM 123 CB ASP A 11 2.415 6.390 -7.533 1.00 0.00 C ATOM 124 CG ASP A 11 3.652 6.561 -8.394 1.00 0.00 C ATOM 125 OD1 ASP A 11 3.849 5.745 -9.319 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.421 7.512 -8.144 1.00 0.00 O ATOM 0 H ASP A 11 0.215 5.484 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 11 2.605 4.273 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.538 6.716 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.493 7.036 -6.658 1.00 0.00 H new ATOM 131 N ILE A 12 2.461 5.226 -4.682 1.00 0.00 N ATOM 132 CA ILE A 12 3.097 5.061 -3.380 1.00 0.00 C ATOM 133 C ILE A 12 3.237 3.586 -3.019 1.00 0.00 C ATOM 134 O ILE A 12 4.270 3.158 -2.503 1.00 0.00 O ATOM 135 CB ILE A 12 2.302 5.776 -2.271 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.092 7.248 -2.631 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.022 5.649 -0.937 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.042 7.933 -1.785 1.00 0.00 C ATOM 0 H ILE A 12 1.601 5.773 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 12 4.088 5.510 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 12 1.325 5.301 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.038 7.779 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.805 7.320 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.448 6.159 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.124 4.595 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.011 6.101 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.946 8.973 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.085 7.427 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.337 7.893 -0.736 1.00 0.00 H new ATOM 150 N LEU A 13 2.193 2.813 -3.296 1.00 0.00 N ATOM 151 CA LEU A 13 2.200 1.384 -3.003 1.00 0.00 C ATOM 152 C LEU A 13 2.917 0.606 -4.102 1.00 0.00 C ATOM 153 O LEU A 13 3.573 -0.400 -3.837 1.00 0.00 O ATOM 154 CB LEU A 13 0.768 0.868 -2.848 1.00 0.00 C ATOM 155 CG LEU A 13 -0.076 1.545 -1.768 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.509 1.038 -1.814 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.530 1.311 -0.392 1.00 0.00 C ATOM 0 H LEU A 13 1.331 3.152 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 13 2.737 1.233 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.257 0.981 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.809 -0.200 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.085 2.618 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.095 1.531 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.942 1.258 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.519 -0.039 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.084 1.800 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.571 0.241 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.538 1.724 -0.363 1.00 0.00 H new ATOM 169 N GLY A 14 2.788 1.081 -5.337 1.00 0.00 N ATOM 170 CA GLY A 14 3.430 0.419 -6.458 1.00 0.00 C ATOM 171 C GLY A 14 2.540 -0.625 -7.102 1.00 0.00 C ATOM 172 O GLY A 14 3.023 -1.646 -7.592 1.00 0.00 O ATOM 0 H GLY A 14 2.250 1.913 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.710 1.163 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.351 -0.054 -6.118 1.00 0.00 H new ATOM 176 N VAL A 15 1.235 -0.372 -7.099 1.00 0.00 N ATOM 177 CA VAL A 15 0.276 -1.299 -7.687 1.00 0.00 C ATOM 178 C VAL A 15 -0.479 -0.649 -8.842 1.00 0.00 C ATOM 179 O VAL A 15 -0.627 0.571 -8.911 1.00 0.00 O ATOM 180 CB VAL A 15 -0.739 -1.795 -6.640 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.118 -2.874 -5.765 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.242 -0.635 -5.795 1.00 0.00 C ATOM 0 H VAL A 15 0.818 0.467 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 15 0.846 -2.149 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.591 -2.230 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.849 -3.213 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.188 -3.715 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.752 -2.468 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.958 -1.004 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.402 -0.169 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.727 0.100 -6.438 1.00 0.00 H new ATOM 192 N PRO A 16 -0.969 -1.482 -9.772 1.00 0.00 N ATOM 193 CA PRO A 16 -1.718 -1.012 -10.940 1.00 0.00 C ATOM 194 C PRO A 16 -3.092 -0.464 -10.567 1.00 0.00 C ATOM 195 O PRO A 16 -3.598 -0.722 -9.475 1.00 0.00 O ATOM 196 CB PRO A 16 -1.860 -2.270 -11.801 1.00 0.00 C ATOM 197 CG PRO A 16 -1.771 -3.401 -10.835 1.00 0.00 C ATOM 198 CD PRO A 16 -0.830 -2.948 -9.753 1.00 0.00 C ATOM 0 HA PRO A 16 -1.211 -0.189 -11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.810 -2.279 -12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.072 -2.327 -12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.752 -3.641 -10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.400 -4.303 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.102 -3.365 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.195 -3.257 -9.957 1.00 0.00 H new ATOM 206 N LYS A 17 -3.690 0.293 -11.480 1.00 0.00 N ATOM 207 CA LYS A 17 -5.006 0.876 -11.248 1.00 0.00 C ATOM 208 C LYS A 17 -6.065 -0.212 -11.098 1.00 0.00 C ATOM 209 O LYS A 17 -7.132 0.021 -10.530 1.00 0.00 O ATOM 210 CB LYS A 17 -5.382 1.813 -12.399 1.00 0.00 C ATOM 211 CG LYS A 17 -4.346 2.890 -12.669 1.00 0.00 C ATOM 212 CD LYS A 17 -4.066 3.719 -11.427 1.00 0.00 C ATOM 213 CE LYS A 17 -2.920 4.693 -11.654 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.597 4.069 -11.371 1.00 0.00 N ATOM 0 H LYS A 17 -3.284 0.517 -12.388 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.964 1.448 -10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.525 1.223 -13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.337 2.288 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.421 2.428 -13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.697 3.541 -13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.963 4.270 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.824 3.059 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.942 5.046 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.054 5.566 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.063 4.671 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.740 3.131 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.064 3.969 -12.258 1.00 0.00 H new ATOM 228 N SER A 18 -5.762 -1.401 -11.610 1.00 0.00 N ATOM 229 CA SER A 18 -6.688 -2.524 -11.534 1.00 0.00 C ATOM 230 C SER A 18 -6.165 -3.597 -10.584 1.00 0.00 C ATOM 231 O SER A 18 -6.637 -4.733 -10.593 1.00 0.00 O ATOM 232 CB SER A 18 -6.912 -3.122 -12.924 1.00 0.00 C ATOM 233 OG SER A 18 -8.192 -3.722 -13.021 1.00 0.00 O ATOM 0 H SER A 18 -4.882 -1.611 -12.082 1.00 0.00 H new ATOM 0 HA SER A 18 -7.638 -2.154 -11.148 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.815 -2.342 -13.679 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.142 -3.865 -13.132 1.00 0.00 H new ATOM 0 HG SER A 18 -8.311 -4.095 -13.919 1.00 0.00 H new ATOM 239 N ALA A 19 -5.186 -3.227 -9.765 1.00 0.00 N ATOM 240 CA ALA A 19 -4.599 -4.156 -8.807 1.00 0.00 C ATOM 241 C ALA A 19 -5.674 -4.801 -7.939 1.00 0.00 C ATOM 242 O ALA A 19 -6.470 -4.110 -7.304 1.00 0.00 O ATOM 243 CB ALA A 19 -3.575 -3.441 -7.938 1.00 0.00 C ATOM 0 H ALA A 19 -4.783 -2.290 -9.746 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.097 -4.946 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.145 -4.147 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.785 -3.033 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.061 -2.630 -7.395 1.00 0.00 H new ATOM 249 N SER A 20 -5.691 -6.130 -7.917 1.00 0.00 N ATOM 250 CA SER A 20 -6.671 -6.869 -7.131 1.00 0.00 C ATOM 251 C SER A 20 -6.369 -6.755 -5.640 1.00 0.00 C ATOM 252 O SER A 20 -5.212 -6.637 -5.238 1.00 0.00 O ATOM 253 CB SER A 20 -6.687 -8.341 -7.548 1.00 0.00 C ATOM 254 OG SER A 20 -7.537 -8.546 -8.664 1.00 0.00 O ATOM 0 H SER A 20 -5.037 -6.717 -8.435 1.00 0.00 H new ATOM 0 HA SER A 20 -7.653 -6.435 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.675 -8.664 -7.793 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.024 -8.955 -6.713 1.00 0.00 H new ATOM 0 HG SER A 20 -7.528 -9.494 -8.912 1.00 0.00 H new ATOM 260 N GLU A 21 -7.419 -6.791 -4.825 1.00 0.00 N ATOM 261 CA GLU A 21 -7.266 -6.691 -3.378 1.00 0.00 C ATOM 262 C GLU A 21 -6.021 -7.440 -2.909 1.00 0.00 C ATOM 263 O GLU A 21 -5.219 -6.911 -2.140 1.00 0.00 O ATOM 264 CB GLU A 21 -8.504 -7.247 -2.672 1.00 0.00 C ATOM 265 CG GLU A 21 -8.372 -7.297 -1.159 1.00 0.00 C ATOM 266 CD GLU A 21 -9.452 -8.137 -0.507 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.578 -7.627 -0.334 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.169 -9.306 -0.168 1.00 0.00 O ATOM 0 H GLU A 21 -8.384 -6.889 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.153 -5.637 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.367 -6.634 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.703 -8.252 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.394 -7.701 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.415 -6.283 -0.761 1.00 0.00 H new ATOM 275 N ARG A 22 -5.868 -8.673 -3.379 1.00 0.00 N ATOM 276 CA ARG A 22 -4.723 -9.496 -3.007 1.00 0.00 C ATOM 277 C ARG A 22 -3.414 -8.806 -3.380 1.00 0.00 C ATOM 278 O ARG A 22 -2.460 -8.803 -2.603 1.00 0.00 O ATOM 279 CB ARG A 22 -4.806 -10.862 -3.691 1.00 0.00 C ATOM 280 CG ARG A 22 -3.826 -11.882 -3.134 1.00 0.00 C ATOM 281 CD ARG A 22 -4.428 -12.655 -1.971 1.00 0.00 C ATOM 282 NE ARG A 22 -5.244 -13.779 -2.425 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.904 -14.586 -1.603 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.847 -14.395 -0.292 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.625 -15.587 -2.091 1.00 0.00 N ATOM 0 H ARG A 22 -6.522 -9.125 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.744 -9.637 -1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.819 -11.250 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.620 -10.737 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.535 -12.576 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.919 -11.375 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.629 -13.024 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.039 -11.984 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.310 -13.953 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.295 -13.626 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.355 -15.017 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.673 -15.737 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.132 -16.206 -1.458 1.00 0.00 H new ATOM 299 N GLN A 23 -3.378 -8.224 -4.574 1.00 0.00 N ATOM 300 CA GLN A 23 -2.186 -7.533 -5.050 1.00 0.00 C ATOM 301 C GLN A 23 -1.858 -6.338 -4.161 1.00 0.00 C ATOM 302 O GLN A 23 -0.714 -6.160 -3.740 1.00 0.00 O ATOM 303 CB GLN A 23 -2.381 -7.070 -6.495 1.00 0.00 C ATOM 304 CG GLN A 23 -2.246 -8.188 -7.516 1.00 0.00 C ATOM 305 CD GLN A 23 -2.677 -7.765 -8.906 1.00 0.00 C ATOM 306 OE1 GLN A 23 -2.120 -6.830 -9.483 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.673 -8.452 -9.453 1.00 0.00 N ATOM 0 H GLN A 23 -4.160 -8.217 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.351 -8.233 -5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.368 -6.617 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.650 -6.293 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.209 -8.523 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.846 -9.040 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.106 -9.219 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.005 -8.212 -10.387 1.00 0.00 H new ATOM 316 N ILE A 24 -2.868 -5.521 -3.880 1.00 0.00 N ATOM 317 CA ILE A 24 -2.686 -4.343 -3.041 1.00 0.00 C ATOM 318 C ILE A 24 -2.112 -4.722 -1.680 1.00 0.00 C ATOM 319 O ILE A 24 -1.103 -4.168 -1.243 1.00 0.00 O ATOM 320 CB ILE A 24 -4.013 -3.590 -2.834 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.555 -3.090 -4.174 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.818 -2.429 -1.869 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.049 -2.854 -4.172 1.00 0.00 C ATOM 0 H ILE A 24 -3.820 -5.653 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.984 -3.690 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.741 -4.278 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.049 -2.161 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.311 -3.817 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.765 -1.906 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.472 -2.809 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.078 -1.739 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.363 -2.501 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.564 -3.786 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.298 -2.105 -3.420 1.00 0.00 H new ATOM 335 N LYS A 25 -2.760 -5.671 -1.013 1.00 0.00 N ATOM 336 CA LYS A 25 -2.314 -6.128 0.297 1.00 0.00 C ATOM 337 C LYS A 25 -0.860 -6.586 0.248 1.00 0.00 C ATOM 338 O LYS A 25 -0.049 -6.207 1.093 1.00 0.00 O ATOM 339 CB LYS A 25 -3.203 -7.271 0.792 1.00 0.00 C ATOM 340 CG LYS A 25 -4.402 -6.803 1.599 1.00 0.00 C ATOM 341 CD LYS A 25 -5.544 -7.802 1.531 1.00 0.00 C ATOM 342 CE LYS A 25 -5.294 -8.998 2.436 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.414 -9.978 2.383 1.00 0.00 N ATOM 0 H LYS A 25 -3.597 -6.139 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.390 -5.291 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.554 -7.845 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.605 -7.946 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.107 -6.656 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.740 -5.837 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.474 -7.313 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.670 -8.142 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.367 -9.490 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.160 -8.655 3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.205 -10.778 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.294 -9.516 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.526 -10.325 1.409 1.00 0.00 H new ATOM 357 N LYS A 26 -0.535 -7.403 -0.749 1.00 0.00 N ATOM 358 CA LYS A 26 0.822 -7.911 -0.911 1.00 0.00 C ATOM 359 C LYS A 26 1.813 -6.767 -1.091 1.00 0.00 C ATOM 360 O LYS A 26 2.822 -6.692 -0.390 1.00 0.00 O ATOM 361 CB LYS A 26 0.894 -8.856 -2.113 1.00 0.00 C ATOM 362 CG LYS A 26 0.423 -10.267 -1.807 1.00 0.00 C ATOM 363 CD LYS A 26 1.137 -11.293 -2.672 1.00 0.00 C ATOM 364 CE LYS A 26 0.400 -11.527 -3.981 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.768 -12.435 -3.806 1.00 0.00 N ATOM 0 H LYS A 26 -1.194 -7.727 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 26 1.088 -8.460 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.289 -8.448 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.922 -8.895 -2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.600 -10.490 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.652 -10.336 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.151 -10.952 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.222 -12.234 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.061 -10.572 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.086 -11.954 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.542 -12.129 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.491 -13.408 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.088 -12.403 -2.817 1.00 0.00 H new ATOM 379 N ALA A 27 1.519 -5.877 -2.033 1.00 0.00 N ATOM 380 CA ALA A 27 2.383 -4.734 -2.301 1.00 0.00 C ATOM 381 C ALA A 27 2.614 -3.911 -1.038 1.00 0.00 C ATOM 382 O ALA A 27 3.750 -3.582 -0.698 1.00 0.00 O ATOM 383 CB ALA A 27 1.785 -3.865 -3.397 1.00 0.00 C ATOM 0 H ALA A 27 0.689 -5.926 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 27 3.348 -5.112 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.441 -3.015 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.679 -4.452 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.806 -3.504 -3.082 1.00 0.00 H new ATOM 389 N PHE A 28 1.528 -3.582 -0.346 1.00 0.00 N ATOM 390 CA PHE A 28 1.612 -2.795 0.879 1.00 0.00 C ATOM 391 C PHE A 28 2.417 -3.533 1.945 1.00 0.00 C ATOM 392 O PHE A 28 3.364 -2.988 2.513 1.00 0.00 O ATOM 393 CB PHE A 28 0.210 -2.484 1.407 1.00 0.00 C ATOM 394 CG PHE A 28 0.213 -1.722 2.702 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.066 -0.646 2.886 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.638 -2.082 3.734 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.071 0.057 4.076 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.638 -1.382 4.926 1.00 0.00 C ATOM 399 CZ PHE A 28 0.218 -0.312 5.098 1.00 0.00 C ATOM 0 H PHE A 28 0.580 -3.848 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 28 2.121 -1.860 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.333 -1.908 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.333 -3.419 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.735 -0.353 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.309 -2.919 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.741 0.894 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.307 -1.672 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.221 0.235 6.029 1.00 0.00 H new ATOM 409 N HIS A 29 2.033 -4.777 2.212 1.00 0.00 N ATOM 410 CA HIS A 29 2.718 -5.591 3.210 1.00 0.00 C ATOM 411 C HIS A 29 4.232 -5.487 3.049 1.00 0.00 C ATOM 412 O HIS A 29 4.920 -4.924 3.901 1.00 0.00 O ATOM 413 CB HIS A 29 2.281 -7.052 3.095 1.00 0.00 C ATOM 414 CG HIS A 29 1.092 -7.389 3.941 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.817 -8.668 4.378 1.00 0.00 N ATOM 416 CD2 HIS A 29 0.104 -6.605 4.433 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.289 -8.657 5.100 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.741 -7.417 5.149 1.00 0.00 N ATOM 0 H HIS A 29 1.251 -5.243 1.751 1.00 0.00 H new ATOM 0 HA HIS A 29 2.448 -5.215 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.050 -7.273 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.114 -7.695 3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.000 -5.540 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.746 -9.515 5.570 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.582 -7.112 5.639 1.00 0.00 H new ATOM 426 N LYS A 30 4.744 -6.034 1.952 1.00 0.00 N ATOM 427 CA LYS A 30 6.176 -6.003 1.679 1.00 0.00 C ATOM 428 C LYS A 30 6.753 -4.618 1.952 1.00 0.00 C ATOM 429 O LYS A 30 7.781 -4.482 2.616 1.00 0.00 O ATOM 430 CB LYS A 30 6.448 -6.403 0.226 1.00 0.00 C ATOM 431 CG LYS A 30 5.764 -5.504 -0.789 1.00 0.00 C ATOM 432 CD LYS A 30 6.101 -5.914 -2.213 1.00 0.00 C ATOM 433 CE LYS A 30 5.601 -7.316 -2.523 1.00 0.00 C ATOM 434 NZ LYS A 30 6.625 -8.352 -2.213 1.00 0.00 N ATOM 0 H LYS A 30 4.189 -6.504 1.237 1.00 0.00 H new ATOM 0 HA LYS A 30 6.662 -6.717 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.523 -6.386 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.116 -7.430 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.685 -5.545 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.069 -4.470 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.656 -5.205 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.180 -5.871 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.697 -7.515 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.328 -7.379 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.910 -8.832 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.456 -7.900 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.226 -9.048 -1.551 1.00 0.00 H new ATOM 448 N LEU A 31 6.084 -3.592 1.439 1.00 0.00 N ATOM 449 CA LEU A 31 6.529 -2.216 1.629 1.00 0.00 C ATOM 450 C LEU A 31 6.661 -1.887 3.112 1.00 0.00 C ATOM 451 O LEU A 31 7.756 -1.616 3.603 1.00 0.00 O ATOM 452 CB LEU A 31 5.550 -1.246 0.965 1.00 0.00 C ATOM 453 CG LEU A 31 5.577 -1.206 -0.563 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.375 -0.443 -1.099 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.872 -0.579 -1.057 1.00 0.00 C ATOM 0 H LEU A 31 5.231 -3.687 0.888 1.00 0.00 H new ATOM 0 HA LEU A 31 7.509 -2.109 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.540 -1.505 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.754 -0.243 1.338 1.00 0.00 H new ATOM 0 HG LEU A 31 5.527 -2.229 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.412 -0.425 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.458 -0.935 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.393 0.578 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.874 -0.559 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.952 0.439 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.719 -1.167 -0.704 1.00 0.00 H new ATOM 467 N ALA A 32 5.537 -1.914 3.822 1.00 0.00 N ATOM 468 CA ALA A 32 5.528 -1.623 5.250 1.00 0.00 C ATOM 469 C ALA A 32 6.771 -2.185 5.933 1.00 0.00 C ATOM 470 O ALA A 32 7.300 -1.588 6.870 1.00 0.00 O ATOM 471 CB ALA A 32 4.270 -2.184 5.895 1.00 0.00 C ATOM 0 H ALA A 32 4.621 -2.135 3.431 1.00 0.00 H new ATOM 0 HA ALA A 32 5.535 -0.540 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.277 -1.959 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.392 -1.731 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.238 -3.264 5.752 1.00 0.00 H new ATOM 477 N MET A 33 7.231 -3.338 5.458 1.00 0.00 N ATOM 478 CA MET A 33 8.412 -3.980 6.023 1.00 0.00 C ATOM 479 C MET A 33 9.671 -3.180 5.704 1.00 0.00 C ATOM 480 O MET A 33 10.523 -2.972 6.569 1.00 0.00 O ATOM 481 CB MET A 33 8.550 -5.406 5.485 1.00 0.00 C ATOM 482 CG MET A 33 7.224 -6.136 5.353 1.00 0.00 C ATOM 483 SD MET A 33 7.389 -7.920 5.562 1.00 0.00 S ATOM 484 CE MET A 33 5.824 -8.316 6.338 1.00 0.00 C ATOM 0 H MET A 33 6.804 -3.846 4.684 1.00 0.00 H new ATOM 0 HA MET A 33 8.291 -4.018 7.106 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.036 -5.372 4.510 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.204 -5.974 6.147 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.526 -5.750 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.795 -5.927 4.373 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.775 -9.388 6.531 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.737 -7.773 7.279 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.007 -8.029 5.676 1.00 0.00 H new ATOM 494 N LYS A 34 9.783 -2.733 4.458 1.00 0.00 N ATOM 495 CA LYS A 34 10.937 -1.954 4.024 1.00 0.00 C ATOM 496 C LYS A 34 10.996 -0.616 4.754 1.00 0.00 C ATOM 497 O LYS A 34 12.076 -0.076 4.994 1.00 0.00 O ATOM 498 CB LYS A 34 10.882 -1.721 2.513 1.00 0.00 C ATOM 499 CG LYS A 34 11.943 -0.759 2.007 1.00 0.00 C ATOM 500 CD LYS A 34 11.670 -0.331 0.575 1.00 0.00 C ATOM 501 CE LYS A 34 12.119 -1.391 -0.419 1.00 0.00 C ATOM 502 NZ LYS A 34 13.599 -1.410 -0.580 1.00 0.00 N ATOM 0 H LYS A 34 9.088 -2.897 3.730 1.00 0.00 H new ATOM 0 HA LYS A 34 11.837 -2.519 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.997 -2.677 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.898 -1.335 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.975 0.120 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.923 -1.233 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.604 -0.140 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.188 0.605 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.778 -2.370 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.651 -1.204 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.853 -2.021 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.941 -0.444 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.038 -1.778 0.288 1.00 0.00 H new ATOM 516 N TYR A 35 9.829 -0.088 5.106 1.00 0.00 N ATOM 517 CA TYR A 35 9.749 1.187 5.808 1.00 0.00 C ATOM 518 C TYR A 35 9.058 1.023 7.159 1.00 0.00 C ATOM 519 O TYR A 35 8.476 1.969 7.690 1.00 0.00 O ATOM 520 CB TYR A 35 8.997 2.214 4.960 1.00 0.00 C ATOM 521 CG TYR A 35 9.683 2.538 3.652 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.740 3.439 3.604 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.275 1.944 2.464 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.370 3.739 2.412 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.900 2.237 1.268 1.00 0.00 C ATOM 526 CZ TYR A 35 10.947 3.135 1.247 1.00 0.00 C ATOM 527 OH TYR A 35 11.571 3.430 0.056 1.00 0.00 O ATOM 0 H TYR A 35 8.926 -0.523 4.917 1.00 0.00 H new ATOM 0 HA TYR A 35 10.765 1.542 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.996 1.837 4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.879 3.132 5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.075 3.913 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.455 1.241 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.189 4.443 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.571 1.766 0.354 1.00 0.00 H new ATOM 0 HH TYR A 35 11.153 2.919 -0.668 1.00 0.00 H new ATOM 537 N HIS A 36 9.127 -0.185 7.708 1.00 0.00 N ATOM 538 CA HIS A 36 8.510 -0.474 8.998 1.00 0.00 C ATOM 539 C HIS A 36 9.166 0.339 10.109 1.00 0.00 C ATOM 540 O HIS A 36 10.378 0.288 10.316 1.00 0.00 O ATOM 541 CB HIS A 36 8.614 -1.967 9.313 1.00 0.00 C ATOM 542 CG HIS A 36 7.512 -2.471 10.193 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.113 -1.826 11.345 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.722 -3.565 10.084 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.127 -2.502 11.907 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.870 -3.561 11.162 1.00 0.00 N ATOM 0 H HIS A 36 9.603 -0.979 7.281 1.00 0.00 H new ATOM 0 HA HIS A 36 7.458 -0.194 8.941 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.608 -2.528 8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.572 -2.162 9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.755 -4.303 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.618 -2.234 12.821 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.155 -4.262 11.355 1.00 0.00 H new ATOM 554 N PRO A 37 8.347 1.109 10.842 1.00 0.00 N ATOM 555 CA PRO A 37 8.826 1.948 11.944 1.00 0.00 C ATOM 556 C PRO A 37 9.285 1.125 13.143 1.00 0.00 C ATOM 557 O PRO A 37 9.697 1.674 14.165 1.00 0.00 O ATOM 558 CB PRO A 37 7.599 2.788 12.310 1.00 0.00 C ATOM 559 CG PRO A 37 6.435 1.967 11.873 1.00 0.00 C ATOM 560 CD PRO A 37 6.891 1.219 10.651 1.00 0.00 C ATOM 0 HA PRO A 37 9.695 2.540 11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.562 2.989 13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.615 3.753 11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.126 1.278 12.659 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.576 2.598 11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.420 0.239 10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.645 1.757 9.735 1.00 0.00 H new ATOM 568 N ASP A 38 9.211 -0.195 13.011 1.00 0.00 N ATOM 569 CA ASP A 38 9.620 -1.095 14.084 1.00 0.00 C ATOM 570 C ASP A 38 10.966 -1.740 13.768 1.00 0.00 C ATOM 571 O ASP A 38 11.774 -1.986 14.663 1.00 0.00 O ATOM 572 CB ASP A 38 8.561 -2.176 14.303 1.00 0.00 C ATOM 573 CG ASP A 38 7.437 -1.710 15.207 1.00 0.00 C ATOM 574 OD1 ASP A 38 7.039 -0.531 15.099 1.00 0.00 O ATOM 575 OD2 ASP A 38 6.955 -2.523 16.024 1.00 0.00 O ATOM 0 H ASP A 38 8.872 -0.666 12.172 1.00 0.00 H new ATOM 0 HA ASP A 38 9.724 -0.509 14.997 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.148 -2.476 13.340 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.031 -3.058 14.738 1.00 0.00 H new ATOM 580 N LYS A 39 11.199 -2.013 12.488 1.00 0.00 N ATOM 581 CA LYS A 39 12.446 -2.630 12.052 1.00 0.00 C ATOM 582 C LYS A 39 13.446 -1.573 11.596 1.00 0.00 C ATOM 583 O LYS A 39 14.644 -1.687 11.850 1.00 0.00 O ATOM 584 CB LYS A 39 12.179 -3.620 10.916 1.00 0.00 C ATOM 585 CG LYS A 39 11.378 -4.837 11.344 1.00 0.00 C ATOM 586 CD LYS A 39 12.272 -5.913 11.936 1.00 0.00 C ATOM 587 CE LYS A 39 12.910 -6.767 10.851 1.00 0.00 C ATOM 588 NZ LYS A 39 12.053 -7.928 10.483 1.00 0.00 N ATOM 0 H LYS A 39 10.540 -1.816 11.735 1.00 0.00 H new ATOM 0 HA LYS A 39 12.873 -3.166 12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.645 -3.107 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.132 -3.950 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.629 -4.541 12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.841 -5.241 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.051 -5.448 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.687 -6.547 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.092 -6.155 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.880 -7.126 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.523 -8.485 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.900 -8.526 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.137 -7.585 10.131 1.00 0.00 H new ATOM 602 N ASN A 40 12.944 -0.543 10.922 1.00 0.00 N ATOM 603 CA ASN A 40 13.794 0.536 10.431 1.00 0.00 C ATOM 604 C ASN A 40 14.301 1.397 11.584 1.00 0.00 C ATOM 605 O ASN A 40 13.530 1.813 12.448 1.00 0.00 O ATOM 606 CB ASN A 40 13.027 1.403 9.431 1.00 0.00 C ATOM 607 CG ASN A 40 13.944 2.089 8.436 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.904 2.757 8.819 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.650 1.926 7.152 1.00 0.00 N ATOM 0 H ASN A 40 11.954 -0.433 10.704 1.00 0.00 H new ATOM 0 HA ASN A 40 14.653 0.089 9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.310 0.783 8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.454 2.156 9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.230 2.364 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.844 1.363 6.881 1.00 0.00 H new ATOM 616 N LYS A 41 15.603 1.661 11.590 1.00 0.00 N ATOM 617 CA LYS A 41 16.215 2.474 12.634 1.00 0.00 C ATOM 618 C LYS A 41 16.528 3.875 12.120 1.00 0.00 C ATOM 619 O LYS A 41 17.595 4.424 12.395 1.00 0.00 O ATOM 620 CB LYS A 41 17.496 1.808 13.143 1.00 0.00 C ATOM 621 CG LYS A 41 17.265 0.443 13.767 1.00 0.00 C ATOM 622 CD LYS A 41 16.984 0.551 15.257 1.00 0.00 C ATOM 623 CE LYS A 41 18.263 0.771 16.051 1.00 0.00 C ATOM 624 NZ LYS A 41 19.007 -0.500 16.267 1.00 0.00 N ATOM 0 H LYS A 41 16.256 1.323 10.883 1.00 0.00 H new ATOM 0 HA LYS A 41 15.505 2.558 13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.196 1.705 12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.967 2.460 13.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.426 -0.047 13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.141 -0.185 13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.295 1.376 15.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.492 -0.358 15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.901 1.480 15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.020 1.218 17.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.872 -0.308 16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.408 -1.168 16.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.262 -0.914 15.347 1.00 0.00 H new ATOM 638 N SER A 42 15.589 4.450 11.374 1.00 0.00 N ATOM 639 CA SER A 42 15.766 5.787 10.820 1.00 0.00 C ATOM 640 C SER A 42 14.485 6.604 10.953 1.00 0.00 C ATOM 641 O SER A 42 13.374 6.074 10.925 1.00 0.00 O ATOM 642 CB SER A 42 16.180 5.702 9.349 1.00 0.00 C ATOM 643 OG SER A 42 17.589 5.633 9.219 1.00 0.00 O ATOM 0 H SER A 42 14.699 4.011 11.140 1.00 0.00 H new ATOM 0 HA SER A 42 16.554 6.286 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.726 4.824 8.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.804 6.573 8.811 1.00 0.00 H new ATOM 0 HG SER A 42 17.828 5.578 8.270 1.00 0.00 H new ATOM 649 N PRO A 43 14.641 7.928 11.102 1.00 0.00 N ATOM 650 CA PRO A 43 13.509 8.848 11.243 1.00 0.00 C ATOM 651 C PRO A 43 12.712 8.989 9.950 1.00 0.00 C ATOM 652 O PRO A 43 11.485 8.898 9.953 1.00 0.00 O ATOM 653 CB PRO A 43 14.174 10.177 11.608 1.00 0.00 C ATOM 654 CG PRO A 43 15.550 10.079 11.046 1.00 0.00 C ATOM 655 CD PRO A 43 15.936 8.629 11.145 1.00 0.00 C ATOM 0 HA PRO A 43 12.790 8.498 11.984 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.632 11.021 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.197 10.325 12.688 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.574 10.419 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.245 10.707 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.583 8.328 10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.476 8.419 12.068 1.00 0.00 H new ATOM 663 N ASP A 44 13.419 9.210 8.847 1.00 0.00 N ATOM 664 CA ASP A 44 12.778 9.362 7.546 1.00 0.00 C ATOM 665 C ASP A 44 11.804 8.217 7.283 1.00 0.00 C ATOM 666 O ASP A 44 10.673 8.438 6.852 1.00 0.00 O ATOM 667 CB ASP A 44 13.831 9.417 6.438 1.00 0.00 C ATOM 668 CG ASP A 44 14.506 8.079 6.214 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.459 7.763 6.958 1.00 0.00 O ATOM 670 OD2 ASP A 44 14.082 7.347 5.296 1.00 0.00 O ATOM 0 H ASP A 44 14.436 9.288 8.828 1.00 0.00 H new ATOM 0 HA ASP A 44 12.218 10.297 7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.361 9.743 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.584 10.162 6.693 1.00 0.00 H new ATOM 675 N ALA A 45 12.253 6.994 7.544 1.00 0.00 N ATOM 676 CA ALA A 45 11.421 5.815 7.337 1.00 0.00 C ATOM 677 C ALA A 45 10.036 6.007 7.944 1.00 0.00 C ATOM 678 O ALA A 45 9.022 5.785 7.281 1.00 0.00 O ATOM 679 CB ALA A 45 12.093 4.585 7.929 1.00 0.00 C ATOM 0 H ALA A 45 13.188 6.794 7.899 1.00 0.00 H new ATOM 0 HA ALA A 45 11.301 5.669 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.461 3.712 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.057 4.429 7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.243 4.732 8.999 1.00 0.00 H new ATOM 685 N GLU A 46 9.999 6.419 9.207 1.00 0.00 N ATOM 686 CA GLU A 46 8.737 6.639 9.903 1.00 0.00 C ATOM 687 C GLU A 46 7.782 7.468 9.048 1.00 0.00 C ATOM 688 O GLU A 46 6.582 7.201 9.003 1.00 0.00 O ATOM 689 CB GLU A 46 8.981 7.340 11.241 1.00 0.00 C ATOM 690 CG GLU A 46 7.707 7.643 12.010 1.00 0.00 C ATOM 691 CD GLU A 46 7.940 8.582 13.178 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.989 8.452 13.843 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.074 9.447 13.427 1.00 0.00 O ATOM 0 H GLU A 46 10.829 6.607 9.769 1.00 0.00 H new ATOM 0 HA GLU A 46 8.280 5.667 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.627 6.714 11.857 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.517 8.272 11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.975 8.085 11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.279 6.711 12.378 1.00 0.00 H new ATOM 700 N ALA A 47 8.325 8.475 8.373 1.00 0.00 N ATOM 701 CA ALA A 47 7.524 9.343 7.519 1.00 0.00 C ATOM 702 C ALA A 47 7.059 8.605 6.268 1.00 0.00 C ATOM 703 O ALA A 47 5.890 8.680 5.888 1.00 0.00 O ATOM 704 CB ALA A 47 8.315 10.585 7.137 1.00 0.00 C ATOM 0 H ALA A 47 9.317 8.710 8.401 1.00 0.00 H new ATOM 0 HA ALA A 47 6.640 9.647 8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.704 11.224 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.592 11.131 8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.216 10.291 6.599 1.00 0.00 H new ATOM 710 N LYS A 48 7.981 7.891 5.631 1.00 0.00 N ATOM 711 CA LYS A 48 7.666 7.138 4.422 1.00 0.00 C ATOM 712 C LYS A 48 6.440 6.255 4.635 1.00 0.00 C ATOM 713 O LYS A 48 5.467 6.335 3.885 1.00 0.00 O ATOM 714 CB LYS A 48 8.861 6.278 4.007 1.00 0.00 C ATOM 715 CG LYS A 48 9.969 7.063 3.327 1.00 0.00 C ATOM 716 CD LYS A 48 9.562 7.510 1.933 1.00 0.00 C ATOM 717 CE LYS A 48 9.747 6.395 0.915 1.00 0.00 C ATOM 718 NZ LYS A 48 8.531 5.543 0.798 1.00 0.00 N ATOM 0 H LYS A 48 8.953 7.818 5.932 1.00 0.00 H new ATOM 0 HA LYS A 48 7.445 7.850 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.266 5.784 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.517 5.494 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.221 7.935 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.867 6.448 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.519 7.827 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.156 8.375 1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.983 6.827 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.597 5.777 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.754 4.576 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.775 5.933 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.214 5.524 -0.192 1.00 0.00 H new ATOM 732 N PHE A 49 6.494 5.415 5.663 1.00 0.00 N ATOM 733 CA PHE A 49 5.387 4.517 5.975 1.00 0.00 C ATOM 734 C PHE A 49 4.086 5.296 6.143 1.00 0.00 C ATOM 735 O PHE A 49 3.001 4.776 5.882 1.00 0.00 O ATOM 736 CB PHE A 49 5.688 3.725 7.249 1.00 0.00 C ATOM 737 CG PHE A 49 4.597 2.767 7.632 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.212 1.754 6.768 1.00 0.00 C ATOM 739 CD2 PHE A 49 3.956 2.880 8.855 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.207 0.872 7.118 1.00 0.00 C ATOM 741 CE2 PHE A 49 2.950 2.000 9.210 1.00 0.00 C ATOM 742 CZ PHE A 49 2.577 0.994 8.340 1.00 0.00 C ATOM 0 H PHE A 49 7.292 5.337 6.294 1.00 0.00 H new ATOM 0 HA PHE A 49 5.270 3.823 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.616 3.170 7.111 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.853 4.422 8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.702 1.653 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.245 3.664 9.539 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.915 0.088 6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.457 2.099 10.166 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.793 0.304 8.616 1.00 0.00 H new ATOM 752 N ARG A 50 4.203 6.546 6.580 1.00 0.00 N ATOM 753 CA ARG A 50 3.037 7.396 6.784 1.00 0.00 C ATOM 754 C ARG A 50 2.292 7.622 5.472 1.00 0.00 C ATOM 755 O ARG A 50 1.112 7.972 5.470 1.00 0.00 O ATOM 756 CB ARG A 50 3.458 8.740 7.382 1.00 0.00 C ATOM 757 CG ARG A 50 2.351 9.434 8.159 1.00 0.00 C ATOM 758 CD ARG A 50 2.365 9.032 9.626 1.00 0.00 C ATOM 759 NE ARG A 50 3.241 9.888 10.420 1.00 0.00 N ATOM 760 CZ ARG A 50 3.591 9.621 11.674 1.00 0.00 C ATOM 761 NH1 ARG A 50 3.140 8.527 12.272 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.392 10.449 12.331 1.00 0.00 N ATOM 0 H ARG A 50 5.094 6.992 6.799 1.00 0.00 H new ATOM 0 HA ARG A 50 2.367 6.890 7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.311 8.583 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.793 9.396 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.468 10.514 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.385 9.183 7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.352 9.081 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.693 7.996 9.715 1.00 0.00 H new ATOM 0 HE ARG A 50 3.605 10.738 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.523 7.889 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.410 8.324 13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.740 11.292 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.660 10.243 13.293 1.00 0.00 H new ATOM 776 N GLU A 51 2.989 7.419 4.359 1.00 0.00 N ATOM 777 CA GLU A 51 2.393 7.601 3.041 1.00 0.00 C ATOM 778 C GLU A 51 1.944 6.265 2.457 1.00 0.00 C ATOM 779 O GLU A 51 1.075 6.217 1.586 1.00 0.00 O ATOM 780 CB GLU A 51 3.390 8.275 2.095 1.00 0.00 C ATOM 781 CG GLU A 51 3.311 9.792 2.107 1.00 0.00 C ATOM 782 CD GLU A 51 4.384 10.439 1.253 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.423 9.789 1.014 1.00 0.00 O ATOM 784 OE2 GLU A 51 4.185 11.595 0.824 1.00 0.00 O ATOM 0 H GLU A 51 3.967 7.129 4.344 1.00 0.00 H new ATOM 0 HA GLU A 51 1.518 8.241 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.400 7.970 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.213 7.918 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.330 10.104 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.404 10.149 3.133 1.00 0.00 H new ATOM 791 N ILE A 52 2.543 5.183 2.942 1.00 0.00 N ATOM 792 CA ILE A 52 2.205 3.846 2.469 1.00 0.00 C ATOM 793 C ILE A 52 0.912 3.348 3.107 1.00 0.00 C ATOM 794 O ILE A 52 0.004 2.888 2.415 1.00 0.00 O ATOM 795 CB ILE A 52 3.332 2.841 2.769 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.698 3.489 2.534 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.175 1.596 1.908 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.860 2.546 2.756 1.00 0.00 C ATOM 0 H ILE A 52 3.265 5.206 3.662 1.00 0.00 H new ATOM 0 HA ILE A 52 2.071 3.918 1.390 1.00 0.00 H new ATOM 0 HB ILE A 52 3.266 2.545 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.740 3.870 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.804 4.346 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.979 0.895 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.215 1.126 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.218 1.874 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.796 3.073 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.844 2.184 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.778 1.701 2.072 1.00 0.00 H new ATOM 810 N ALA A 53 0.836 3.445 4.430 1.00 0.00 N ATOM 811 CA ALA A 53 -0.347 3.008 5.161 1.00 0.00 C ATOM 812 C ALA A 53 -1.602 3.700 4.639 1.00 0.00 C ATOM 813 O ALA A 53 -2.515 3.048 4.133 1.00 0.00 O ATOM 814 CB ALA A 53 -0.176 3.275 6.649 1.00 0.00 C ATOM 0 H ALA A 53 1.580 3.822 5.018 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.464 1.935 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.067 2.944 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.692 2.730 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.031 4.343 6.813 1.00 0.00 H new ATOM 820 N GLU A 54 -1.639 5.023 4.766 1.00 0.00 N ATOM 821 CA GLU A 54 -2.784 5.801 4.308 1.00 0.00 C ATOM 822 C GLU A 54 -3.166 5.418 2.881 1.00 0.00 C ATOM 823 O GLU A 54 -4.347 5.326 2.547 1.00 0.00 O ATOM 824 CB GLU A 54 -2.473 7.297 4.379 1.00 0.00 C ATOM 825 CG GLU A 54 -3.620 8.181 3.920 1.00 0.00 C ATOM 826 CD GLU A 54 -3.516 9.597 4.452 1.00 0.00 C ATOM 827 OE1 GLU A 54 -2.425 10.194 4.337 1.00 0.00 O ATOM 828 OE2 GLU A 54 -4.524 10.108 4.982 1.00 0.00 O ATOM 0 H GLU A 54 -0.890 5.577 5.182 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.626 5.580 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.214 7.557 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.596 7.506 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.640 8.207 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.564 7.743 4.246 1.00 0.00 H new ATOM 835 N ALA A 55 -2.158 5.196 2.044 1.00 0.00 N ATOM 836 CA ALA A 55 -2.388 4.821 0.654 1.00 0.00 C ATOM 837 C ALA A 55 -3.072 3.462 0.558 1.00 0.00 C ATOM 838 O ALA A 55 -3.873 3.221 -0.346 1.00 0.00 O ATOM 839 CB ALA A 55 -1.074 4.809 -0.114 1.00 0.00 C ATOM 0 H ALA A 55 -1.174 5.269 2.304 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.050 5.563 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.261 4.527 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.625 5.802 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.393 4.089 0.341 1.00 0.00 H new ATOM 845 N TYR A 56 -2.751 2.576 1.494 1.00 0.00 N ATOM 846 CA TYR A 56 -3.332 1.239 1.512 1.00 0.00 C ATOM 847 C TYR A 56 -4.733 1.262 2.116 1.00 0.00 C ATOM 848 O TYR A 56 -5.692 0.794 1.504 1.00 0.00 O ATOM 849 CB TYR A 56 -2.439 0.282 2.304 1.00 0.00 C ATOM 850 CG TYR A 56 -3.119 -1.017 2.671 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.232 -2.050 1.748 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.649 -1.213 3.940 1.00 0.00 C ATOM 853 CE1 TYR A 56 -3.853 -3.239 2.078 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.270 -2.399 4.280 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.370 -3.409 3.345 1.00 0.00 C ATOM 856 OH TYR A 56 -4.989 -4.591 3.679 1.00 0.00 O ATOM 0 H TYR A 56 -2.092 2.760 2.250 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.405 0.889 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.547 0.062 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.107 0.779 3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.827 -1.921 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.574 -0.424 4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.933 -4.031 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.675 -2.535 5.272 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.296 -4.548 4.609 1.00 0.00 H new ATOM 866 N GLU A 57 -4.841 1.811 3.322 1.00 0.00 N ATOM 867 CA GLU A 57 -6.124 1.895 4.010 1.00 0.00 C ATOM 868 C GLU A 57 -7.241 2.254 3.035 1.00 0.00 C ATOM 869 O GLU A 57 -8.365 1.765 3.152 1.00 0.00 O ATOM 870 CB GLU A 57 -6.058 2.933 5.133 1.00 0.00 C ATOM 871 CG GLU A 57 -4.980 2.646 6.164 1.00 0.00 C ATOM 872 CD GLU A 57 -5.454 1.713 7.261 1.00 0.00 C ATOM 873 OE1 GLU A 57 -5.948 0.614 6.933 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.331 2.082 8.448 1.00 0.00 O ATOM 0 H GLU A 57 -4.056 2.204 3.842 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.342 0.918 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.880 3.916 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.025 2.976 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.115 2.206 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.649 3.585 6.609 1.00 0.00 H new ATOM 881 N THR A 58 -6.924 3.114 2.072 1.00 0.00 N ATOM 882 CA THR A 58 -7.900 3.541 1.077 1.00 0.00 C ATOM 883 C THR A 58 -8.126 2.459 0.028 1.00 0.00 C ATOM 884 O THR A 58 -9.258 2.209 -0.389 1.00 0.00 O ATOM 885 CB THR A 58 -7.455 4.837 0.374 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.032 5.801 1.345 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.587 5.415 -0.463 1.00 0.00 C ATOM 0 H THR A 58 -5.999 3.528 1.960 1.00 0.00 H new ATOM 0 HA THR A 58 -8.833 3.727 1.609 1.00 0.00 H new ATOM 0 HB THR A 58 -6.622 4.598 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.137 5.568 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.249 6.330 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.886 4.690 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.438 5.639 0.181 1.00 0.00 H new ATOM 895 N LEU A 59 -7.042 1.818 -0.396 1.00 0.00 N ATOM 896 CA LEU A 59 -7.122 0.760 -1.397 1.00 0.00 C ATOM 897 C LEU A 59 -7.258 -0.608 -0.735 1.00 0.00 C ATOM 898 O LEU A 59 -7.109 -1.641 -1.387 1.00 0.00 O ATOM 899 CB LEU A 59 -5.882 0.784 -2.293 1.00 0.00 C ATOM 900 CG LEU A 59 -5.550 2.128 -2.943 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.287 2.016 -3.783 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.716 2.612 -3.792 1.00 0.00 C ATOM 0 H LEU A 59 -6.098 2.012 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.008 0.938 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.024 0.468 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.014 0.044 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.374 2.859 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.066 2.981 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.454 1.714 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.435 1.272 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.462 3.570 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.924 1.882 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.599 2.731 -3.164 1.00 0.00 H new ATOM 914 N SER A 60 -7.545 -0.605 0.562 1.00 0.00 N ATOM 915 CA SER A 60 -7.700 -1.846 1.313 1.00 0.00 C ATOM 916 C SER A 60 -9.176 -2.186 1.501 1.00 0.00 C ATOM 917 O SER A 60 -9.568 -3.351 1.440 1.00 0.00 O ATOM 918 CB SER A 60 -7.014 -1.731 2.676 1.00 0.00 C ATOM 919 OG SER A 60 -7.904 -1.220 3.654 1.00 0.00 O ATOM 0 H SER A 60 -7.675 0.242 1.115 1.00 0.00 H new ATOM 0 HA SER A 60 -7.230 -2.648 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.650 -2.710 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.144 -1.079 2.595 1.00 0.00 H new ATOM 0 HG SER A 60 -8.039 -0.261 3.505 1.00 0.00 H new ATOM 925 N ASP A 61 -9.988 -1.160 1.730 1.00 0.00 N ATOM 926 CA ASP A 61 -11.421 -1.348 1.926 1.00 0.00 C ATOM 927 C ASP A 61 -12.161 -1.314 0.592 1.00 0.00 C ATOM 928 O ASP A 61 -11.544 -1.238 -0.470 1.00 0.00 O ATOM 929 CB ASP A 61 -11.976 -0.271 2.858 1.00 0.00 C ATOM 930 CG ASP A 61 -13.165 -0.758 3.663 1.00 0.00 C ATOM 931 OD1 ASP A 61 -12.951 -1.477 4.662 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.309 -0.419 3.295 1.00 0.00 O ATOM 0 H ASP A 61 -9.679 -0.190 1.785 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.575 -2.326 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.190 0.057 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.271 0.598 2.269 1.00 0.00 H new ATOM 937 N ALA A 62 -13.487 -1.373 0.655 1.00 0.00 N ATOM 938 CA ALA A 62 -14.311 -1.348 -0.547 1.00 0.00 C ATOM 939 C ALA A 62 -14.758 0.073 -0.876 1.00 0.00 C ATOM 940 O ALA A 62 -14.363 0.637 -1.896 1.00 0.00 O ATOM 941 CB ALA A 62 -15.519 -2.257 -0.378 1.00 0.00 C ATOM 0 H ALA A 62 -14.014 -1.438 1.526 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.709 -1.714 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.125 -2.228 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.183 -3.278 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.115 -1.916 0.469 1.00 0.00 H new ATOM 947 N ASN A 63 -15.585 0.644 -0.007 1.00 0.00 N ATOM 948 CA ASN A 63 -16.087 1.999 -0.207 1.00 0.00 C ATOM 949 C ASN A 63 -14.936 2.992 -0.339 1.00 0.00 C ATOM 950 O ASN A 63 -14.954 3.866 -1.205 1.00 0.00 O ATOM 951 CB ASN A 63 -16.996 2.405 0.955 1.00 0.00 C ATOM 952 CG ASN A 63 -17.050 3.908 1.148 1.00 0.00 C ATOM 953 OD1 ASN A 63 -16.028 4.552 1.388 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.247 4.475 1.045 1.00 0.00 N ATOM 0 H ASN A 63 -15.922 0.190 0.842 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.663 2.014 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -18.003 2.028 0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.640 1.936 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.346 5.483 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.067 3.902 0.845 1.00 0.00 H new ATOM 961 N ARG A 64 -13.938 2.850 0.526 1.00 0.00 N ATOM 962 CA ARG A 64 -12.779 3.734 0.507 1.00 0.00 C ATOM 963 C ARG A 64 -12.132 3.753 -0.875 1.00 0.00 C ATOM 964 O ARG A 64 -11.889 4.818 -1.443 1.00 0.00 O ATOM 965 CB ARG A 64 -11.756 3.291 1.555 1.00 0.00 C ATOM 966 CG ARG A 64 -12.215 3.511 2.987 1.00 0.00 C ATOM 967 CD ARG A 64 -11.038 3.734 3.922 1.00 0.00 C ATOM 968 NE ARG A 64 -11.454 4.303 5.201 1.00 0.00 N ATOM 969 CZ ARG A 64 -10.607 4.634 6.169 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.304 4.452 6.005 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.062 5.147 7.304 1.00 0.00 N ATOM 0 H ARG A 64 -13.908 2.131 1.249 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.119 4.742 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.537 2.233 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.825 3.834 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.882 4.372 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.789 2.647 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.529 2.786 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.318 4.400 3.446 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.450 4.455 5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.950 4.057 5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.656 4.707 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.064 5.288 7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.410 5.401 8.046 1.00 0.00 H new ATOM 985 N ARG A 65 -11.856 2.568 -1.409 1.00 0.00 N ATOM 986 CA ARG A 65 -11.236 2.449 -2.724 1.00 0.00 C ATOM 987 C ARG A 65 -12.207 2.869 -3.823 1.00 0.00 C ATOM 988 O ARG A 65 -11.798 3.381 -4.865 1.00 0.00 O ATOM 989 CB ARG A 65 -10.769 1.012 -2.963 1.00 0.00 C ATOM 990 CG ARG A 65 -10.233 0.770 -4.364 1.00 0.00 C ATOM 991 CD ARG A 65 -10.461 -0.666 -4.808 1.00 0.00 C ATOM 992 NE ARG A 65 -9.438 -1.117 -5.748 1.00 0.00 N ATOM 993 CZ ARG A 65 -9.476 -2.291 -6.369 1.00 0.00 C ATOM 994 NH1 ARG A 65 -10.482 -3.127 -6.151 1.00 0.00 N ATOM 995 NH2 ARG A 65 -8.508 -2.630 -7.210 1.00 0.00 N ATOM 0 H ARG A 65 -12.051 1.677 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.373 3.114 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.992 0.766 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.602 0.333 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.720 1.450 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.167 0.995 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.465 -1.319 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.443 -0.750 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.651 -0.496 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.229 -2.869 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.509 -4.028 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.733 -1.989 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.539 -3.532 -7.686 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.495 2.649 -3.583 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.526 3.005 -4.551 1.00 0.00 C ATOM 1011 C LYS A 66 -14.598 4.517 -4.738 1.00 0.00 C ATOM 1012 O LYS A 66 -14.853 5.003 -5.839 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.887 2.471 -4.098 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.966 2.576 -5.161 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.306 2.075 -4.647 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.459 0.576 -4.861 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.802 0.091 -4.441 1.00 0.00 N ATOM 0 H LYS A 66 -13.850 2.225 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.264 2.550 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.779 1.427 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.207 3.020 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.063 3.613 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.672 1.998 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.398 2.304 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.113 2.601 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.301 0.341 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.690 0.048 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.867 -0.934 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.943 0.292 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.536 0.576 -4.996 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.370 5.254 -3.655 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.409 6.711 -3.702 1.00 0.00 C ATOM 1033 C GLU A 67 -13.107 7.272 -4.265 1.00 0.00 C ATOM 1034 O GLU A 67 -13.118 8.163 -5.115 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.661 7.282 -2.305 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.972 6.825 -1.688 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.562 7.854 -0.743 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.963 8.090 0.327 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.624 8.423 -1.074 1.00 0.00 O ATOM 0 H GLU A 67 -14.157 4.867 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.226 7.006 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.840 6.992 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.655 8.371 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.688 6.613 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.809 5.892 -1.148 1.00 0.00 H new ATOM 1046 N TYR A 68 -11.986 6.745 -3.785 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.675 7.195 -4.238 1.00 0.00 C ATOM 1048 C TYR A 68 -10.505 6.959 -5.736 1.00 0.00 C ATOM 1049 O TYR A 68 -9.674 7.594 -6.386 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.570 6.470 -3.468 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.181 6.750 -3.995 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.487 7.890 -3.609 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.563 5.875 -4.880 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.217 8.150 -4.089 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.293 6.126 -5.363 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.625 7.265 -4.965 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.361 7.520 -5.445 1.00 0.00 O ATOM 0 H TYR A 68 -11.959 6.006 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.601 8.265 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.617 6.763 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.755 5.397 -3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.948 8.585 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.084 4.983 -5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.691 9.041 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.826 5.434 -6.048 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.121 8.451 -5.255 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.299 6.042 -6.277 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.240 5.722 -7.699 1.00 0.00 C ATOM 1069 C ASP A 69 -12.325 6.468 -8.470 1.00 0.00 C ATOM 1070 O ASP A 69 -12.065 7.050 -9.523 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.391 4.215 -7.911 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.670 3.730 -9.153 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -9.490 4.097 -9.336 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -11.285 2.982 -9.941 1.00 0.00 O ATOM 0 H ASP A 69 -11.991 5.507 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.268 6.039 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.002 3.688 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.449 3.966 -7.988 1.00 0.00 H new ATOM 1079 N THR A 70 -13.543 6.446 -7.938 1.00 0.00 N ATOM 1080 CA THR A 70 -14.668 7.118 -8.576 1.00 0.00 C ATOM 1081 C THR A 70 -14.471 8.629 -8.587 1.00 0.00 C ATOM 1082 O THR A 70 -14.883 9.313 -9.525 1.00 0.00 O ATOM 1083 CB THR A 70 -15.995 6.788 -7.867 1.00 0.00 C ATOM 1084 OG1 THR A 70 -17.095 7.023 -8.753 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.160 7.630 -6.611 1.00 0.00 C ATOM 0 H THR A 70 -13.775 5.970 -7.066 1.00 0.00 H new ATOM 0 HA THR A 70 -14.714 6.754 -9.602 1.00 0.00 H new ATOM 0 HB THR A 70 -15.978 5.736 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.935 6.809 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.104 7.380 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.336 7.428 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.158 8.687 -6.878 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.840 9.146 -7.538 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.588 10.579 -7.427 1.00 0.00 C ATOM 1095 C LEU A 71 -12.195 10.928 -7.941 1.00 0.00 C ATOM 1096 O LEU A 71 -12.003 11.950 -8.599 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.736 11.031 -5.973 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.078 10.726 -5.309 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.972 10.873 -3.799 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.166 11.637 -5.860 1.00 0.00 C ATOM 0 H LEU A 71 -13.494 8.595 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.323 11.101 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.947 10.561 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.568 12.107 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.347 9.694 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.937 10.652 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.223 10.179 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.680 11.894 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.114 11.405 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.903 12.677 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.260 11.482 -6.935 1.00 0.00 H new ATOM 1112 N GLY A 72 -11.225 10.070 -7.639 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.863 10.305 -8.080 1.00 0.00 C ATOM 1114 C GLY A 72 -9.057 11.102 -7.073 1.00 0.00 C ATOM 1115 O GLY A 72 -9.563 12.049 -6.471 1.00 0.00 O ATOM 0 H GLY A 72 -11.359 9.216 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.372 9.348 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.879 10.837 -9.031 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.797 10.718 -6.889 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.919 11.403 -5.947 1.00 0.00 C ATOM 1121 C HIS A 73 -7.095 12.915 -6.042 1.00 0.00 C ATOM 1122 O HIS A 73 -7.201 13.603 -5.027 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.461 11.029 -6.212 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.509 11.564 -5.187 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.848 10.761 -4.282 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -4.108 12.831 -4.928 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.082 11.511 -3.509 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.221 12.770 -3.881 1.00 0.00 N ATOM 0 H HIS A 73 -7.362 9.937 -7.380 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.189 11.086 -4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.373 9.943 -6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.172 11.402 -7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.426 13.723 -5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.450 11.155 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.746 13.568 -3.459 1.00 0.00 H new ATOM 1136 N SER A 74 -7.123 13.427 -7.269 1.00 0.00 N ATOM 1137 CA SER A 74 -7.281 14.858 -7.497 1.00 0.00 C ATOM 1138 C SER A 74 -8.483 15.401 -6.731 1.00 0.00 C ATOM 1139 O SER A 74 -8.446 16.511 -6.202 1.00 0.00 O ATOM 1140 CB SER A 74 -7.442 15.144 -8.991 1.00 0.00 C ATOM 1141 OG SER A 74 -8.529 14.415 -9.535 1.00 0.00 O ATOM 0 H SER A 74 -7.038 12.871 -8.120 1.00 0.00 H new ATOM 0 HA SER A 74 -6.384 15.359 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.602 16.211 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.524 14.880 -9.516 1.00 0.00 H new ATOM 0 HG SER A 74 -8.612 14.616 -10.491 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.549 14.609 -6.677 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.763 15.008 -5.975 1.00 0.00 C ATOM 1149 C ALA A 75 -10.840 14.356 -4.599 1.00 0.00 C ATOM 1150 O ALA A 75 -10.797 15.038 -3.575 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.991 14.651 -6.800 1.00 0.00 C ATOM 0 H ALA A 75 -9.597 13.687 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.734 16.089 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.890 14.954 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.948 15.168 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.015 13.574 -6.969 1.00 0.00 H new ATOM 1157 N PHE A 76 -10.955 13.033 -4.582 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.040 12.289 -3.330 1.00 0.00 C ATOM 1159 C PHE A 76 -10.187 12.944 -2.249 1.00 0.00 C ATOM 1160 O PHE A 76 -10.593 13.036 -1.090 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.593 10.841 -3.541 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.558 10.033 -2.275 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -11.684 9.350 -1.843 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -9.401 9.957 -1.517 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -11.655 8.607 -0.678 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -9.366 9.215 -0.352 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.495 8.538 0.068 1.00 0.00 C ATOM 0 H PHE A 76 -10.992 12.453 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.079 12.297 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.267 10.361 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.601 10.838 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.594 9.399 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.516 10.484 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.539 8.080 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.457 9.164 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.470 7.956 0.978 1.00 0.00 H new ATOM 1177 N THR A 77 -8.999 13.400 -2.636 1.00 0.00 N ATOM 1178 CA THR A 77 -8.086 14.045 -1.701 1.00 0.00 C ATOM 1179 C THR A 77 -7.584 15.375 -2.251 1.00 0.00 C ATOM 1180 O THR A 77 -6.441 15.483 -2.694 1.00 0.00 O ATOM 1181 CB THR A 77 -6.877 13.145 -1.384 1.00 0.00 C ATOM 1182 OG1 THR A 77 -5.816 13.928 -0.826 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.387 12.436 -2.637 1.00 0.00 C ATOM 0 H THR A 77 -8.647 13.334 -3.591 1.00 0.00 H new ATOM 0 HA THR A 77 -8.648 14.223 -0.784 1.00 0.00 H new ATOM 0 HB THR A 77 -7.192 12.393 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.464 14.536 -1.509 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.533 11.806 -2.388 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.188 11.818 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.088 13.175 -3.380 1.00 0.00 H new ATOM 1191 N SER A 78 -8.447 16.386 -2.221 1.00 0.00 N ATOM 1192 CA SER A 78 -8.092 17.709 -2.720 1.00 0.00 C ATOM 1193 C SER A 78 -7.911 18.694 -1.569 1.00 0.00 C ATOM 1194 O SER A 78 -8.864 19.336 -1.131 1.00 0.00 O ATOM 1195 CB SER A 78 -9.167 18.221 -3.680 1.00 0.00 C ATOM 1196 OG SER A 78 -8.708 19.347 -4.408 1.00 0.00 O ATOM 0 H SER A 78 -9.397 16.314 -1.856 1.00 0.00 H new ATOM 0 HA SER A 78 -7.146 17.626 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.449 17.427 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.063 18.488 -3.119 1.00 0.00 H new ATOM 0 HG SER A 78 -9.413 19.654 -5.015 1.00 0.00 H new ATOM 1202 N GLY A 79 -6.678 18.807 -1.083 1.00 0.00 N ATOM 1203 CA GLY A 79 -6.393 19.714 0.013 1.00 0.00 C ATOM 1204 C GLY A 79 -5.102 19.371 0.729 1.00 0.00 C ATOM 1205 O GLY A 79 -4.673 18.217 0.734 1.00 0.00 O ATOM 0 H GLY A 79 -5.872 18.286 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.333 20.733 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.218 19.689 0.725 1.00 0.00 H new ATOM 1209 N LYS A 80 -4.479 20.376 1.335 1.00 0.00 N ATOM 1210 CA LYS A 80 -3.228 20.176 2.058 1.00 0.00 C ATOM 1211 C LYS A 80 -3.085 21.191 3.188 1.00 0.00 C ATOM 1212 O LYS A 80 -3.555 22.323 3.082 1.00 0.00 O ATOM 1213 CB LYS A 80 -2.039 20.291 1.102 1.00 0.00 C ATOM 1214 CG LYS A 80 -1.817 21.697 0.572 1.00 0.00 C ATOM 1215 CD LYS A 80 -0.367 21.921 0.176 1.00 0.00 C ATOM 1216 CE LYS A 80 -0.114 21.512 -1.267 1.00 0.00 C ATOM 1217 NZ LYS A 80 1.235 21.935 -1.735 1.00 0.00 N ATOM 0 H LYS A 80 -4.820 21.337 1.340 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.243 19.176 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.137 19.959 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.193 19.615 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.461 21.868 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.104 22.423 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.111 22.972 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.284 21.349 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.208 20.430 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.876 21.954 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.369 21.638 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.316 22.970 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.964 21.493 -1.139 1.00 0.00 H new ATOM 1231 N GLY A 81 -2.430 20.778 4.269 1.00 0.00 N ATOM 1232 CA GLY A 81 -2.236 21.664 5.402 1.00 0.00 C ATOM 1233 C GLY A 81 -0.773 21.831 5.763 1.00 0.00 C ATOM 1234 O GLY A 81 0.088 21.866 4.885 1.00 0.00 O ATOM 0 H GLY A 81 -2.030 19.846 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.665 22.640 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.777 21.272 6.263 1.00 0.00 H new ATOM 1238 N GLN A 82 -0.493 21.936 7.058 1.00 0.00 N ATOM 1239 CA GLN A 82 0.876 22.103 7.531 1.00 0.00 C ATOM 1240 C GLN A 82 1.794 21.045 6.928 1.00 0.00 C ATOM 1241 O GLN A 82 1.467 19.858 6.920 1.00 0.00 O ATOM 1242 CB GLN A 82 0.923 22.026 9.058 1.00 0.00 C ATOM 1243 CG GLN A 82 0.655 23.357 9.743 1.00 0.00 C ATOM 1244 CD GLN A 82 1.898 24.218 9.851 1.00 0.00 C ATOM 1245 OE1 GLN A 82 2.225 24.973 8.935 1.00 0.00 O ATOM 1246 NE2 GLN A 82 2.599 24.110 10.973 1.00 0.00 N ATOM 0 H GLN A 82 -1.195 21.908 7.797 1.00 0.00 H new ATOM 0 HA GLN A 82 1.226 23.085 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.188 21.297 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.903 21.660 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.111 23.899 9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.256 23.174 10.741 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.292 23.472 11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.445 24.665 11.101 1.00 0.00 H new ATOM 1255 N SER A 83 2.943 21.483 6.425 1.00 0.00 N ATOM 1256 CA SER A 83 3.907 20.573 5.816 1.00 0.00 C ATOM 1257 C SER A 83 5.320 21.143 5.899 1.00 0.00 C ATOM 1258 O SER A 83 5.538 22.329 5.653 1.00 0.00 O ATOM 1259 CB SER A 83 3.537 20.308 4.355 1.00 0.00 C ATOM 1260 OG SER A 83 4.020 19.046 3.928 1.00 0.00 O ATOM 0 H SER A 83 3.230 22.462 6.427 1.00 0.00 H new ATOM 0 HA SER A 83 3.880 19.633 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.454 20.345 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.953 21.093 3.723 1.00 0.00 H new ATOM 0 HG SER A 83 3.769 18.899 2.992 1.00 0.00 H new ATOM 1266 N GLY A 84 6.277 20.288 6.247 1.00 0.00 N ATOM 1267 CA GLY A 84 7.657 20.724 6.357 1.00 0.00 C ATOM 1268 C GLY A 84 8.438 20.504 5.076 1.00 0.00 C ATOM 1269 O GLY A 84 8.442 21.342 4.175 1.00 0.00 O ATOM 0 H GLY A 84 6.121 19.302 6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.681 21.782 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.141 20.185 7.171 1.00 0.00 H new ATOM 1273 N PRO A 85 9.120 19.353 4.985 1.00 0.00 N ATOM 1274 CA PRO A 85 9.922 18.999 3.810 1.00 0.00 C ATOM 1275 C PRO A 85 9.060 18.698 2.589 1.00 0.00 C ATOM 1276 O PRO A 85 8.641 17.560 2.378 1.00 0.00 O ATOM 1277 CB PRO A 85 10.671 17.741 4.258 1.00 0.00 C ATOM 1278 CG PRO A 85 9.814 17.148 5.322 1.00 0.00 C ATOM 1279 CD PRO A 85 9.160 18.307 6.022 1.00 0.00 C ATOM 0 HA PRO A 85 10.576 19.815 3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.810 17.047 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 85 11.663 17.985 4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.067 16.479 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.409 16.557 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.161 18.052 6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.733 18.626 6.893 1.00 0.00 H new ATOM 1287 N SER A 86 8.799 19.726 1.788 1.00 0.00 N ATOM 1288 CA SER A 86 7.983 19.572 0.588 1.00 0.00 C ATOM 1289 C SER A 86 8.699 20.142 -0.632 1.00 0.00 C ATOM 1290 O SER A 86 9.096 19.404 -1.534 1.00 0.00 O ATOM 1291 CB SER A 86 6.632 20.267 0.772 1.00 0.00 C ATOM 1292 OG SER A 86 5.741 19.934 -0.278 1.00 0.00 O ATOM 0 H SER A 86 9.140 20.674 1.948 1.00 0.00 H new ATOM 0 HA SER A 86 7.817 18.507 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.197 19.976 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.776 21.347 0.802 1.00 0.00 H new ATOM 0 HG SER A 86 4.885 20.389 -0.137 1.00 0.00 H new ATOM 1298 N SER A 87 8.861 21.461 -0.653 1.00 0.00 N ATOM 1299 CA SER A 87 9.526 22.133 -1.764 1.00 0.00 C ATOM 1300 C SER A 87 11.039 22.139 -1.568 1.00 0.00 C ATOM 1301 O SER A 87 11.540 21.767 -0.508 1.00 0.00 O ATOM 1302 CB SER A 87 9.012 23.567 -1.901 1.00 0.00 C ATOM 1303 OG SER A 87 7.623 23.587 -2.180 1.00 0.00 O ATOM 0 H SER A 87 8.541 22.086 0.087 1.00 0.00 H new ATOM 0 HA SER A 87 9.298 21.584 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.209 24.117 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.554 24.076 -2.698 1.00 0.00 H new ATOM 0 HG SER A 87 7.319 24.515 -2.261 1.00 0.00 H new ATOM 1309 N GLY A 88 11.761 22.564 -2.600 1.00 0.00 N ATOM 1310 CA GLY A 88 13.210 22.611 -2.522 1.00 0.00 C ATOM 1311 C GLY A 88 13.876 21.825 -3.634 1.00 0.00 C ATOM 1312 O GLY A 88 14.523 22.401 -4.509 1.00 0.00 O ATOM 0 H GLY A 88 11.369 22.877 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.540 23.649 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.532 22.216 -1.559 1.00 0.00 H new TER 1316 GLY A 88